NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8861 | 1myo | 4224 | 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 HT1 MET 1 -8.236 -11.367 -11.367 2 2H MET 1 HT3 MET 1 -8.849 -12.786 -12.786 3 3H MET 1 HT2 MET 1 -8.704 -11.376 -11.376 4 HA MET 1 HA MET 1 -10.552 -10.415 -10.415 5 1HB MET 1 HB2 MET 1 -11.172 -13.296 -13.296 6 2HB MET 1 HB1 MET 1 -12.295 -12.054 -12.054 7 1HG MET 1 HG2 MET 1 -10.020 -13.254 -13.254 8 2HG MET 1 HG1 MET 1 -11.740 -13.555 -13.555 9 1HE MET 1 HE3 MET 1 -9.973 -12.899 -12.899 10 2HE MET 1 HE2 MET 1 -9.964 -11.265 -11.265 11 3HE MET 1 HE1 MET 1 -8.872 -11.681 -11.681 12 H CYS 2 HN CYS 2 -8.390 -11.262 -11.262 13 HA CYS 2 HA CYS 2 -9.890 -10.174 -10.174 14 1HB CYS 2 HB2 CYS 2 -9.709 -12.135 -12.135 15 2HB CYS 2 HB1 CYS 2 -10.671 -12.534 -12.534 16 HG CYS 2 HG CYS 2 -7.647 -13.233 -13.233 17 H ASP 3 HN ASP 3 -7.617 -9.250 -9.250 18 HA ASP 3 HA ASP 3 -5.123 -10.153 -10.153 19 1HB ASP 3 HB2 ASP 3 -5.893 -7.239 -7.239 20 2HB ASP 3 HB1 ASP 3 -4.291 -7.944 -7.944 21 H LYS 4 HN LYS 4 -7.522 -8.213 -8.213 22 HA LYS 4 HA LYS 4 -6.111 -7.210 -7.210 23 1HB LYS 4 HB2 LYS 4 -8.802 -8.600 -8.600 24 2HB LYS 4 HB1 LYS 4 -8.172 -7.430 -7.430 25 1HG LYS 4 HG2 LYS 4 -7.943 -5.815 -5.815 26 2HG LYS 4 HG1 LYS 4 -8.927 -6.956 -6.956 27 1HD LYS 4 HD2 LYS 4 -10.750 -6.740 -6.740 28 2HD LYS 4 HD1 LYS 4 -9.759 -5.725 -5.725 29 1HE LYS 4 HE2 LYS 4 -9.543 -4.107 -4.107 30 2HE LYS 4 HE1 LYS 4 -10.765 -5.062 -5.062 31 1HZ LYS 4 HZ3 LYS 4 -11.538 -4.438 -4.438 32 2HZ LYS 4 HZ2 LYS 4 -11.228 -3.034 -3.034 33 3HZ LYS 4 HZ1 LYS 4 -12.369 -4.167 -4.167 34 H GLU 5 HN GLU 5 -7.773 -10.385 -10.385 35 HA GLU 5 HA GLU 5 -6.445 -11.247 -11.247 36 1HB GLU 5 HB2 GLU 5 -8.412 -12.377 -12.377 37 2HB GLU 5 HB1 GLU 5 -7.312 -13.019 -13.019 38 1HG GLU 5 HG2 GLU 5 -5.992 -14.119 -14.119 39 2HG GLU 5 HG1 GLU 5 -7.141 -13.518 -13.518 40 H PHE 6 HN PHE 6 -5.599 -12.016 -12.016 41 HA PHE 6 HA PHE 6 -3.238 -13.473 -13.473 42 1HB PHE 6 HB2 PHE 6 -4.552 -12.873 -12.873 43 2HB PHE 6 HB1 PHE 6 -3.423 -11.526 -11.526 44 HD1 PHE 6 HD2 PHE 6 -0.877 -12.539 -12.539 45 HD2 PHE 6 HD1 PHE 6 -3.929 -14.550 -14.550 46 HE1 PHE 6 HE2 PHE 6 0.833 -14.047 -14.047 47 HE2 PHE 6 HE1 PHE 6 -2.214 -16.051 -16.051 48 HZ PHE 6 HZ PHE 6 0.167 -15.801 -15.801 49 H MET 7 HN MET 7 -3.596 -9.971 -9.971 50 HA MET 7 HA MET 7 -0.801 -9.409 -9.409 51 1HB MET 7 HB2 MET 7 -1.969 -7.933 -7.933 52 2HB MET 7 HB1 MET 7 -3.266 -7.699 -7.699 53 1HG MET 7 HG2 MET 7 -1.925 -6.355 -6.355 54 2HG MET 7 HG1 MET 7 -0.430 -6.910 -6.910 55 1HE MET 7 HE3 MET 7 -3.861 -5.485 -5.485 56 2HE MET 7 HE2 MET 7 -3.613 -4.466 -4.466 57 3HE MET 7 HE1 MET 7 -3.468 -6.215 -6.215 58 H TRP 8 HN TRP 8 -3.727 -8.531 -8.531 59 HA TRP 8 HA TRP 8 -2.503 -7.341 -7.341 60 1HB TRP 8 HB2 TRP 8 -4.967 -7.551 -7.551 61 2HB TRP 8 HB1 TRP 8 -4.861 -9.240 -9.240 62 HD1 TRP 8 HD1 TRP 8 -4.417 -9.769 -9.769 63 HE1 TRP 8 HE1 TRP 8 -4.572 -8.328 -8.328 64 HE3 TRP 8 HE3 TRP 8 -4.608 -5.119 -5.119 65 HZ2 TRP 8 HZ2 TRP 8 -4.755 -5.565 -5.565 66 HZ3 TRP 8 HZ3 TRP 8 -4.773 -3.102 -3.102 67 HH2 TRP 8 HH2 TRP 8 -4.846 -3.318 -3.318 68 H ALA 9 HN ALA 9 -2.085 -10.554 -10.554 69 HA ALA 9 HA ALA 9 -1.517 -11.617 -11.617 70 1HB ALA 9 HB3 ALA 9 -1.271 -12.734 -12.734 71 2HB ALA 9 HB2 ALA 9 -0.698 -13.617 -13.617 72 3HB ALA 9 HB1 ALA 9 -2.407 -13.204 -13.204 73 H LEU 10 HN LEU 10 0.413 -10.923 -10.923 74 HA LEU 10 HA LEU 10 2.946 -11.585 -11.585 75 1HB LEU 10 HB2 LEU 10 2.385 -9.006 -9.006 76 2HB LEU 10 HB1 LEU 10 3.863 -9.957 -9.957 77 HG LEU 10 HG LEU 10 1.387 -11.389 -11.389 78 1HD1 LEU 10 HD13 LEU 10 1.187 -9.031 -9.031 79 2HD1 LEU 10 HD12 LEU 10 2.658 -9.367 -9.367 80 3HD1 LEU 10 HD11 LEU 10 1.210 -10.332 -10.332 81 1HD2 LEU 10 HD22 LEU 10 3.800 -12.250 -12.250 82 2HD2 LEU 10 HD21 LEU 10 2.889 -12.400 -12.400 83 3HD2 LEU 10 HD23 LEU 10 4.067 -11.103 -11.103 84 H LYS 11 HN LYS 11 1.112 -8.668 -8.668 85 HA LYS 11 HA LYS 11 3.298 -7.498 -7.498 86 1HB LYS 11 HB2 LYS 11 1.835 -6.041 -6.041 87 2HB LYS 11 HB1 LYS 11 0.426 -6.652 -6.652 88 1HG LYS 11 HG2 LYS 11 2.544 -5.644 -5.644 89 2HG LYS 11 HG1 LYS 11 1.847 -4.411 -4.411 90 1HD LYS 11 HD2 LYS 11 0.117 -6.317 -6.317 91 2HD LYS 11 HD1 LYS 11 0.682 -4.788 -4.788 92 1HE LYS 11 HE2 LYS 11 -0.290 -3.680 -3.680 93 2HE LYS 11 HE1 LYS 11 -1.107 -5.212 -5.212 94 1HZ LYS 11 HZ3 LYS 11 -1.723 -4.863 -4.863 95 2HZ LYS 11 HZ2 LYS 11 -1.575 -3.234 -3.234 96 3HZ LYS 11 HZ1 LYS 11 -2.674 -4.251 -4.251 97 H ASN 12 HN ASN 12 0.069 -8.812 -8.812 98 HA ASN 12 HA ASN 12 0.516 -8.343 -8.343 99 1HB ASN 12 HB2 ASN 12 -1.745 -8.466 -8.466 100 2HB ASN 12 HB1 ASN 12 -1.608 -10.200 -10.200 101 1HD2 ASN 12 HD21 ASN 12 -2.232 -10.975 -10.975 102 2HD2 ASN 12 HD22 ASN 12 -2.554 -9.993 -9.993 103 H GLY 13 HN GLY 13 2.321 -10.196 -10.196 104 1HA GLY 13 HA2 GLY 13 3.507 -12.152 -12.152 105 2HA GLY 13 HA1 GLY 13 2.995 -11.952 -11.952 106 H ASP 14 HN ASP 14 0.307 -12.259 -12.259 107 HA ASP 14 HA ASP 14 -0.428 -14.783 -14.783 108 1HB ASP 14 HB2 ASP 14 -1.546 -13.738 -13.738 109 2HB ASP 14 HB1 ASP 14 -2.327 -14.708 -14.708 110 H LEU 15 HN LEU 15 2.068 -15.051 -15.051 111 HA LEU 15 HA LEU 15 2.729 -15.904 -15.904 112 1HB LEU 15 HB2 LEU 15 4.178 -15.925 -15.925 113 2HB LEU 15 HB1 LEU 15 3.368 -17.391 -17.391 114 HG LEU 15 HG LEU 15 5.645 -17.558 -17.558 115 1HD1 LEU 15 HD13 LEU 15 3.853 -19.382 -19.382 116 2HD1 LEU 15 HD12 LEU 15 3.531 -19.320 -19.320 117 3HD1 LEU 15 HD11 LEU 15 5.138 -19.741 -19.741 118 1HD2 LEU 15 HD22 LEU 15 4.800 -16.082 -16.082 119 2HD2 LEU 15 HD21 LEU 15 5.597 -17.577 -17.577 120 3HD2 LEU 15 HD23 LEU 15 3.840 -17.470 -17.470 121 H ASP 16 HN ASP 16 0.665 -17.629 -17.629 122 HA ASP 16 HA ASP 16 0.535 -20.109 -20.109 123 1HB ASP 16 HB2 ASP 16 -1.494 -18.701 -18.701 124 2HB ASP 16 HB1 ASP 16 -1.591 -20.390 -20.390 125 H GLU 17 HN GLU 17 -1.065 -17.030 -17.030 126 HA GLU 17 HA GLU 17 -3.090 -18.110 -18.110 127 1HB GLU 17 HB2 GLU 17 -2.199 -15.327 -15.327 128 2HB GLU 17 HB1 GLU 17 -3.393 -15.609 -15.609 129 1HG GLU 17 HG2 GLU 17 -4.745 -16.936 -16.936 130 2HG GLU 17 HG1 GLU 17 -3.597 -16.474 -16.474 131 H VAL 18 HN VAL 18 -0.052 -16.248 -16.248 132 HA VAL 18 HA VAL 18 -0.339 -16.295 -16.295 133 HB VAL 18 HB VAL 18 2.345 -16.031 -16.031 134 1HG1 VAL 18 HG12 VAL 18 0.196 -13.952 -13.952 135 2HG1 VAL 18 HG11 VAL 18 1.896 -13.568 -13.568 136 3HG1 VAL 18 HG13 VAL 18 0.977 -14.346 -14.346 137 1HG2 VAL 18 HG22 VAL 18 1.852 -16.464 -16.464 138 2HG2 VAL 18 HG21 VAL 18 2.955 -15.161 -15.161 139 3HG2 VAL 18 HG23 VAL 18 1.286 -14.794 -14.794 140 H LYS 19 HN LYS 19 0.751 -18.527 -18.527 141 HA LYS 19 HA LYS 19 2.384 -20.186 -20.186 142 1HB LYS 19 HB2 LYS 19 2.401 -20.163 -20.163 143 2HB LYS 19 HB1 LYS 19 0.853 -20.999 -20.999 144 1HG LYS 19 HG2 LYS 19 1.793 -22.934 -22.934 145 2HG LYS 19 HG1 LYS 19 3.257 -22.084 -22.084 146 1HD LYS 19 HD2 LYS 19 2.593 -22.199 -22.199 147 2HD LYS 19 HD1 LYS 19 3.247 -23.645 -23.645 148 1HE LYS 19 HE2 LYS 19 5.227 -22.484 -22.484 149 2HE LYS 19 HE1 LYS 19 4.545 -20.921 -20.921 150 1HZ LYS 19 HZ2 LYS 19 4.511 -21.636 -21.636 151 2HZ LYS 19 HZ1 LYS 19 5.177 -23.137 -23.137 152 3HZ LYS 19 HZ3 LYS 19 6.086 -21.720 -21.720 153 H ASP 20 HN ASP 20 -1.034 -20.080 -20.080 154 HA ASP 20 HA ASP 20 -1.698 -22.626 -22.626 155 1HB ASP 20 HB2 ASP 20 -3.092 -21.098 -21.098 156 2HB ASP 20 HB1 ASP 20 -3.598 -20.293 -20.293 157 H TYR 21 HN TYR 21 -1.844 -19.311 -19.311 158 HA TYR 21 HA TYR 21 -2.963 -19.986 -19.986 159 1HB TYR 21 HB2 TYR 21 -1.187 -17.748 -17.748 160 2HB TYR 21 HB1 TYR 21 -1.595 -17.894 -17.894 161 HD1 TYR 21 HD2 TYR 21 -4.082 -18.108 -18.108 162 HD2 TYR 21 HD1 TYR 21 -2.732 -16.803 -16.803 163 HE1 TYR 21 HE2 TYR 21 -6.309 -17.111 -17.111 164 HE2 TYR 21 HE1 TYR 21 -4.961 -15.808 -15.808 165 HH TYR 21 HH TYR 21 -7.576 -16.533 -16.533 166 H VAL 22 HN VAL 22 0.545 -19.471 -19.471 167 HA VAL 22 HA VAL 22 1.305 -20.499 -20.499 168 HB VAL 22 HB VAL 22 2.723 -19.105 -19.105 169 1HG1 VAL 22 HG12 VAL 22 2.414 -20.697 -20.697 170 2HG1 VAL 22 HG11 VAL 22 3.410 -21.865 -21.865 171 3HG1 VAL 22 HG13 VAL 22 4.101 -20.328 -20.328 172 1HG2 VAL 22 HG22 VAL 22 3.784 -21.528 -21.528 173 2HG2 VAL 22 HG21 VAL 22 3.683 -19.868 -19.868 174 3HG2 VAL 22 HG23 VAL 22 4.833 -20.287 -20.287 175 H ALA 23 HN ALA 23 0.139 -22.086 -22.086 176 HA ALA 23 HA ALA 23 1.528 -24.559 -24.559 177 1HB ALA 23 HB2 ALA 23 -0.230 -23.786 -23.786 178 2HB ALA 23 HB1 ALA 23 -1.428 -24.376 -24.376 179 3HB ALA 23 HB3 ALA 23 -0.241 -25.485 -25.485 180 H LYS 24 HN LYS 24 -0.673 -23.030 -23.030 181 HA LYS 24 HA LYS 24 -1.762 -25.324 -25.324 182 1HB LYS 24 HB2 LYS 24 -1.618 -22.428 -22.428 183 2HB LYS 24 HB1 LYS 24 -1.612 -23.395 -23.395 184 1HG LYS 24 HG2 LYS 24 -3.918 -22.879 -22.879 185 2HG LYS 24 HG1 LYS 24 -3.633 -24.605 -24.605 186 1HD LYS 24 HD2 LYS 24 -4.640 -24.139 -24.139 187 2HD LYS 24 HD1 LYS 24 -2.964 -23.811 -23.811 188 1HE LYS 24 HE2 LYS 24 -4.140 -21.912 -21.912 189 2HE LYS 24 HE1 LYS 24 -3.436 -21.388 -21.388 190 1HZ LYS 24 HZ3 LYS 24 -6.078 -22.629 -22.629 191 2HZ LYS 24 HZ2 LYS 24 -5.980 -21.059 -21.059 192 3HZ LYS 24 HZ1 LYS 24 -5.442 -21.368 -21.368 193 H GLY 25 HN GLY 25 0.506 -23.128 -23.128 194 1HA GLY 25 HA2 GLY 25 2.471 -25.227 -25.227 195 2HA GLY 25 HA1 GLY 25 1.522 -24.916 -24.916 196 H GLU 26 HN GLU 26 3.857 -23.590 -23.590 197 HA GLU 26 HA GLU 26 5.092 -21.563 -21.563 198 1HB GLU 26 HB2 GLU 26 6.421 -21.598 -21.598 199 2HB GLU 26 HB1 GLU 26 6.608 -22.939 -22.939 200 1HG GLU 26 HG2 GLU 26 4.978 -24.264 -24.264 201 2HG GLU 26 HG1 GLU 26 4.713 -22.915 -22.915 202 H ASP 27 HN ASP 27 4.010 -19.658 -19.658 203 HA ASP 27 HA ASP 27 3.483 -18.421 -18.421 204 1HB ASP 27 HB2 ASP 27 1.387 -18.917 -18.917 205 2HB ASP 27 HB1 ASP 27 1.239 -17.568 -17.568 206 H VAL 28 HN VAL 28 5.444 -18.111 -18.111 207 HA VAL 28 HA VAL 28 4.749 -15.726 -15.726 208 HB VAL 28 HB VAL 28 7.143 -15.860 -15.860 209 1HG1 VAL 28 HG11 VAL 28 5.340 -17.104 -17.104 210 2HG1 VAL 28 HG13 VAL 28 5.591 -18.465 -18.465 211 3HG1 VAL 28 HG12 VAL 28 6.861 -17.996 -17.996 212 1HG2 VAL 28 HG23 VAL 28 7.766 -16.967 -16.967 213 2HG2 VAL 28 HG22 VAL 28 8.611 -17.484 -17.484 214 3HG2 VAL 28 HG21 VAL 28 7.300 -18.465 -18.465 215 H ASN 29 HN ASN 29 4.212 -14.567 -14.567 216 HA ASN 29 HA ASN 29 6.238 -12.624 -12.624 217 1HB ASN 29 HB2 ASN 29 6.346 -13.261 -13.261 218 2HB ASN 29 HB1 ASN 29 7.395 -14.110 -14.110 219 1HD2 ASN 29 HD21 ASN 29 6.510 -16.265 -16.265 220 2HD2 ASN 29 HD22 ASN 29 5.528 -17.172 -17.172 221 H ARG 30 HN ARG 30 3.407 -12.859 -12.859 222 HA ARG 30 HA ARG 30 2.083 -11.701 -11.701 223 1HB ARG 30 HB2 ARG 30 0.911 -12.720 -12.720 224 2HB ARG 30 HB1 ARG 30 -0.014 -12.148 -12.148 225 1HG ARG 30 HG2 ARG 30 1.251 -13.927 -13.927 226 2HG ARG 30 HG1 ARG 30 1.733 -14.604 -14.604 227 1HD ARG 30 HD2 ARG 30 -0.325 -15.681 -15.681 228 2HD ARG 30 HD1 ARG 30 -0.620 -14.838 -14.838 229 HE ARG 30 HE ARG 30 -1.219 -12.942 -12.942 230 1HH1 ARG 30 HH21 ARG 30 -2.133 -16.194 -16.194 231 2HH1 ARG 30 HH22 ARG 30 -3.720 -16.028 -16.028 232 1HH2 ARG 30 HH11 ARG 30 -3.284 -12.703 -12.703 233 2HH2 ARG 30 HH12 ARG 30 -4.373 -14.050 -14.050 234 H THR 31 HN THR 31 2.143 -9.510 -9.510 235 HA THR 31 HA THR 31 2.740 -7.816 -7.816 236 HB THR 31 HB THR 31 1.019 -6.897 -6.897 237 HG1 THR 31 HG1 THR 31 2.689 -7.049 -7.049 238 1HG2 THR 31 HG23 THR 31 1.849 -5.381 -5.381 239 2HG2 THR 31 HG22 THR 31 3.476 -5.651 -5.651 240 3HG2 THR 31 HG21 THR 31 2.260 -4.872 -4.872 241 H LEU 32 HN LEU 32 1.434 -8.102 -8.102 242 HA LEU 32 HA LEU 32 -1.426 -8.448 -8.448 243 1HB LEU 32 HB2 LEU 32 -1.487 -8.343 -8.343 244 2HB LEU 32 HB1 LEU 32 -0.405 -9.563 -9.563 245 HG LEU 32 HG LEU 32 0.628 -8.452 -8.452 246 1HD1 LEU 32 HD13 LEU 32 1.938 -8.998 -8.998 247 2HD1 LEU 32 HD12 LEU 32 2.143 -7.240 -7.240 248 3HD1 LEU 32 HD11 LEU 32 2.723 -8.158 -8.158 249 1HD2 LEU 32 HD22 LEU 32 -0.686 -6.187 -6.187 250 2HD2 LEU 32 HD21 LEU 32 0.640 -6.229 -6.229 251 3HD2 LEU 32 HD23 LEU 32 0.960 -5.820 -5.820 252 H GLU 33 HN GLU 33 0.633 -5.661 -5.661 253 HA GLU 33 HA GLU 33 -1.737 -4.013 -4.013 254 1HB GLU 33 HB2 GLU 33 0.436 -3.598 -3.598 255 2HB GLU 33 HB1 GLU 33 1.145 -3.150 -3.150 256 1HG GLU 33 HG2 GLU 33 -1.369 -1.793 -1.793 257 2HG GLU 33 HG1 GLU 33 0.202 -1.268 -1.268 258 H GLY 34 HN GLY 34 0.879 -3.016 -3.016 259 1HA GLY 34 HA2 GLY 34 -0.799 -3.140 -3.140 260 2HA GLY 34 HA1 GLY 34 -0.517 -1.500 -1.500 261 H GLY 35 HN GLY 35 2.136 -2.384 -2.384 262 1HA GLY 35 HA2 GLY 35 3.704 -3.095 -3.095 263 2HA GLY 35 HA1 GLY 35 3.921 -1.433 -1.433 264 H ARG 36 HN ARG 36 3.289 -4.159 -4.159 265 HA ARG 36 HA ARG 36 6.124 -4.115 -4.115 266 1HB ARG 36 HB2 ARG 36 3.881 -4.108 -4.108 267 2HB ARG 36 HB1 ARG 36 5.574 -3.672 -3.672 268 1HG ARG 36 HG2 ARG 36 5.224 -1.698 -1.698 269 2HG ARG 36 HG1 ARG 36 3.512 -2.106 -2.106 270 1HD ARG 36 HD2 ARG 36 3.105 -1.449 -1.449 271 2HD ARG 36 HD1 ARG 36 4.735 -1.854 -1.854 272 HE ARG 36 HE ARG 36 5.121 0.275 0.275 273 1HH1 ARG 36 HH21 ARG 36 3.164 -0.393 -0.393 274 2HH1 ARG 36 HH22 ARG 36 3.148 1.247 1.247 275 1HH2 ARG 36 HH11 ARG 36 5.113 2.419 2.419 276 2HH2 ARG 36 HH12 ARG 36 4.255 2.845 2.845 277 H LYS 37 HN LYS 37 6.760 -6.079 -6.079 278 HA LYS 37 HA LYS 37 4.952 -8.360 -8.360 279 1HB LYS 37 HB2 LYS 37 7.467 -9.360 -9.360 280 2HB LYS 37 HB1 LYS 37 6.857 -9.233 -9.233 281 1HG LYS 37 HG2 LYS 37 8.939 -8.067 -8.067 282 2HG LYS 37 HG1 LYS 37 7.700 -6.819 -6.819 283 1HD LYS 37 HD2 LYS 37 7.903 -6.933 -6.933 284 2HD LYS 37 HD1 LYS 37 9.430 -7.759 -7.759 285 1HE LYS 37 HE2 LYS 37 8.634 -4.944 -4.944 286 2HE LYS 37 HE1 LYS 37 10.088 -5.513 -5.513 287 1HZ LYS 37 HZ2 LYS 37 10.197 -6.769 -6.769 288 2HZ LYS 37 HZ1 LYS 37 9.554 -5.252 -5.252 289 3HZ LYS 37 HZ3 LYS 37 11.038 -5.348 -5.348 290 HA PRO 38 HA PRO 38 4.222 -9.347 -9.347 291 1HB PRO 38 HB2 PRO 38 4.867 -12.120 -12.120 292 2HB PRO 38 HB1 PRO 38 3.281 -11.387 -11.387 293 1HG PRO 38 HG2 PRO 38 5.052 -12.625 -12.625 294 2HG PRO 38 HG1 PRO 38 3.393 -12.055 -12.055 295 1HD PRO 38 HD2 PRO 38 5.798 -10.820 -10.820 296 2HD PRO 38 HD1 PRO 38 4.140 -10.206 -10.206 297 H LEU 39 HN LEU 39 7.213 -8.842 -8.842 298 HA LEU 39 HA LEU 39 8.429 -10.231 -10.231 299 1HB LEU 39 HB2 LEU 39 9.384 -10.643 -10.643 300 2HB LEU 39 HB1 LEU 39 9.938 -8.977 -8.977 301 HG LEU 39 HG LEU 39 11.564 -9.398 -9.398 302 1HD1 LEU 39 HD11 LEU 39 9.867 -11.713 -11.713 303 2HD1 LEU 39 HD13 LEU 39 11.491 -11.399 -11.399 304 3HD1 LEU 39 HD12 LEU 39 10.214 -10.216 -10.216 305 1HD2 LEU 39 HD23 LEU 39 11.820 -10.898 -10.898 306 2HD2 LEU 39 HD22 LEU 39 12.784 -11.321 -11.321 307 3HD2 LEU 39 HD21 LEU 39 11.314 -12.225 -12.225 308 H HIS 40 HN HIS 40 7.483 -7.195 -7.195 309 HA HIS 40 HA HIS 40 9.382 -5.625 -5.625 310 1HB HIS 40 HB2 HIS 40 8.268 -4.782 -4.782 311 2HB HIS 40 HB1 HIS 40 6.759 -4.698 -4.698 312 HD1 HIS 40 HD1 HIS 40 7.324 -3.401 -3.401 313 HD2 HIS 40 HD2 HIS 40 9.450 -2.292 -2.292 314 HE1 HIS 40 HE1 HIS 40 8.254 -1.089 -1.089 315 H TYR 41 HN TYR 41 5.958 -6.566 -6.566 316 HA TYR 41 HA TYR 41 5.492 -5.260 -5.260 317 1HB TYR 41 HB2 TYR 41 4.047 -7.725 -7.725 318 2HB TYR 41 HB1 TYR 41 3.413 -6.403 -6.403 319 HD1 TYR 41 HD1 TYR 41 4.531 -7.381 -7.381 320 HD2 TYR 41 HD2 TYR 41 2.644 -4.361 -4.361 321 HE1 TYR 41 HE1 TYR 41 3.813 -6.196 -6.196 322 HE2 TYR 41 HE2 TYR 41 1.929 -3.179 -3.179 323 HH TYR 41 HH TYR 41 2.084 -3.095 -3.095 324 H ALA 42 HN ALA 42 6.500 -8.499 -8.499 325 HA ALA 42 HA ALA 42 6.483 -9.631 -9.631 326 1HB ALA 42 HB3 ALA 42 6.559 -10.894 -10.894 327 2HB ALA 42 HB2 ALA 42 8.274 -10.486 -10.486 328 3HB ALA 42 HB1 ALA 42 7.650 -11.480 -11.480 329 H ALA 43 HN ALA 43 9.077 -8.219 -8.219 330 HA ALA 43 HA ALA 43 11.086 -8.444 -8.444 331 1HB ALA 43 HB1 ALA 43 10.897 -6.507 -6.507 332 2HB ALA 43 HB3 ALA 43 12.342 -6.799 -6.799 333 3HB ALA 43 HB2 ALA 43 11.681 -8.086 -8.086 334 H ASP 44 HN ASP 44 9.112 -5.697 -5.697 335 HA ASP 44 HA ASP 44 9.935 -3.816 -3.816 336 1HB ASP 44 HB2 ASP 44 8.580 -3.259 -3.259 337 2HB ASP 44 HB1 ASP 44 7.197 -4.080 -4.080 338 H CYS 45 HN CYS 45 7.510 -6.387 -6.387 339 HA CYS 45 HA CYS 45 7.569 -6.132 -6.132 340 1HB CYS 45 HB2 CYS 45 5.096 -5.376 -5.376 341 2HB CYS 45 HB1 CYS 45 5.055 -5.804 -5.804 342 HG CYS 45 HG CYS 45 5.376 -3.262 -3.262 343 H GLY 46 HN GLY 46 8.332 -8.346 -8.346 344 1HA GLY 46 HA2 GLY 46 5.936 -10.157 -10.157 345 2HA GLY 46 HA1 GLY 46 7.447 -10.478 -10.478 346 H GLN 47 HN GLN 47 7.291 -9.260 -9.260 347 HA GLN 47 HA GLN 47 8.301 -10.173 -10.173 348 1HB GLN 47 HB2 GLN 47 7.311 -12.886 -12.886 349 2HB GLN 47 HB1 GLN 47 7.213 -12.071 -12.071 350 1HG GLN 47 HG2 GLN 47 5.515 -11.573 -11.573 351 2HG GLN 47 HG1 GLN 47 4.983 -12.125 -12.125 352 1HE2 GLN 47 HE21 GLN 47 4.010 -9.706 -9.706 353 2HE2 GLN 47 HE22 GLN 47 4.419 -8.388 -8.388 354 H LEU 48 HN LEU 48 9.549 -10.461 -10.461 355 HA LEU 48 HA LEU 48 11.545 -11.217 -11.217 356 1HB LEU 48 HB2 LEU 48 11.969 -11.793 -11.793 357 2HB LEU 48 HB1 LEU 48 13.180 -12.183 -12.183 358 HG LEU 48 HG LEU 48 13.898 -10.058 -10.058 359 1HD1 LEU 48 HD12 LEU 48 11.051 -9.208 -9.208 360 2HD1 LEU 48 HD11 LEU 48 12.451 -8.149 -8.149 361 3HD1 LEU 48 HD13 LEU 48 12.316 -9.495 -9.495 362 1HD2 LEU 48 HD21 LEU 48 13.246 -10.082 -10.082 363 2HD2 LEU 48 HD23 LEU 48 13.062 -8.468 -8.468 364 3HD2 LEU 48 HD22 LEU 48 11.645 -9.486 -9.486 365 H GLU 49 HN GLU 49 9.217 -13.211 -13.211 366 HA GLU 49 HA GLU 49 10.607 -15.715 -15.715 367 1HB GLU 49 HB2 GLU 49 7.751 -15.355 -15.355 368 2HB GLU 49 HB1 GLU 49 8.674 -16.842 -16.842 369 1HG GLU 49 HG2 GLU 49 10.264 -15.709 -15.709 370 2HG GLU 49 HG1 GLU 49 9.031 -14.459 -14.459 371 H ILE 50 HN ILE 50 7.986 -13.628 -13.628 372 HA ILE 50 HA ILE 50 6.987 -15.311 -15.311 373 HB ILE 50 HB ILE 50 6.906 -12.304 -12.304 374 1HG1 ILE 50 HG12 ILE 50 5.597 -14.399 -14.399 375 2HG1 ILE 50 HG11 ILE 50 5.740 -12.676 -12.676 376 1HG2 ILE 50 HG23 ILE 50 6.308 -13.318 -13.318 377 2HG2 ILE 50 HG22 ILE 50 5.055 -14.252 -14.252 378 3HG2 ILE 50 HG21 ILE 50 4.958 -12.492 -12.492 379 1HD1 ILE 50 HD11 ILE 50 3.767 -13.870 -13.870 380 2HD1 ILE 50 HD13 ILE 50 3.376 -13.471 -13.471 381 3HD1 ILE 50 HD12 ILE 50 3.850 -12.194 -12.194 382 H LEU 51 HN LEU 51 9.531 -12.835 -12.835 383 HA LEU 51 HA LEU 51 9.662 -12.731 -12.731 384 1HB LEU 51 HB2 LEU 51 12.288 -12.302 -12.302 385 2HB LEU 51 HB1 LEU 51 11.057 -11.061 -11.061 386 HG LEU 51 HG LEU 51 12.289 -10.853 -10.853 387 1HD1 LEU 51 HD13 LEU 51 9.474 -11.082 -11.082 388 2HD1 LEU 51 HD12 LEU 51 9.960 -11.843 -11.843 389 3HD1 LEU 51 HD11 LEU 51 10.427 -10.181 -10.181 390 1HD2 LEU 51 HD22 LEU 51 12.768 -13.394 -13.394 391 2HD2 LEU 51 HD21 LEU 51 12.623 -12.574 -12.574 392 3HD2 LEU 51 HD23 LEU 51 11.270 -13.526 -13.526 393 H GLU 52 HN GLU 52 11.635 -14.733 -14.733 394 HA GLU 52 HA GLU 52 13.056 -16.140 -16.140 395 1HB GLU 52 HB2 GLU 52 12.018 -17.418 -17.418 396 2HB GLU 52 HB1 GLU 52 13.483 -17.816 -17.816 397 1HG GLU 52 HG2 GLU 52 14.407 -15.572 -15.572 398 2HG GLU 52 HG1 GLU 52 12.958 -15.243 -15.243 399 H PHE 53 HN PHE 53 9.727 -16.470 -16.470 400 HA PHE 53 HA PHE 53 9.260 -19.100 -19.100 401 1HB PHE 53 HB2 PHE 53 7.678 -17.973 -17.973 402 2HB PHE 53 HB1 PHE 53 7.300 -16.811 -16.811 403 HD1 PHE 53 HD1 PHE 53 7.635 -20.526 -20.526 404 HD2 PHE 53 HD2 PHE 53 5.388 -17.250 -17.250 405 HE1 PHE 53 HE1 PHE 53 6.048 -22.129 -22.129 406 HE2 PHE 53 HE2 PHE 53 3.789 -18.851 -18.851 407 HZ PHE 53 HZ PHE 53 4.125 -21.296 -21.296 408 H LEU 54 HN LEU 54 7.551 -16.439 -16.439 409 HA LEU 54 HA LEU 54 7.281 -17.802 -17.802 410 1HB LEU 54 HB2 LEU 54 6.589 -15.731 -15.731 411 2HB LEU 54 HB1 LEU 54 5.998 -15.761 -15.761 412 HG LEU 54 HG LEU 54 6.821 -13.582 -13.582 413 1HD1 LEU 54 HD13 LEU 54 7.749 -14.749 -14.749 414 2HD1 LEU 54 HD12 LEU 54 9.215 -15.086 -15.086 415 3HD1 LEU 54 HD11 LEU 54 8.758 -13.428 -13.428 416 1HD2 LEU 54 HD23 LEU 54 8.034 -14.274 -14.274 417 2HD2 LEU 54 HD22 LEU 54 8.643 -12.901 -12.901 418 3HD2 LEU 54 HD21 LEU 54 9.448 -14.461 -14.461 419 H LEU 55 HN LEU 55 10.157 -16.755 -16.755 420 HA LEU 55 HA LEU 55 11.469 -16.274 -16.274 421 1HB LEU 55 HB2 LEU 55 11.979 -15.290 -15.290 422 2HB LEU 55 HB1 LEU 55 13.140 -16.607 -16.607 423 HG LEU 55 HG LEU 55 12.872 -14.569 -14.569 424 1HD1 LEU 55 HD11 LEU 55 14.553 -14.469 -14.469 425 2HD1 LEU 55 HD13 LEU 55 14.877 -13.485 -13.485 426 3HD1 LEU 55 HD12 LEU 55 13.366 -13.282 -13.282 427 1HD2 LEU 55 HD22 LEU 55 14.175 -16.936 -16.936 428 2HD2 LEU 55 HD21 LEU 55 14.788 -15.534 -15.534 429 3HD2 LEU 55 HD23 LEU 55 15.421 -15.930 -15.930 430 H LEU 56 HN LEU 56 11.177 -18.623 -18.623 431 HA LEU 56 HA LEU 56 13.149 -20.487 -20.487 432 1HB LEU 56 HB2 LEU 56 11.219 -20.417 -20.417 433 2HB LEU 56 HB1 LEU 56 10.404 -21.462 -21.462 434 HG LEU 56 HG LEU 56 11.570 -22.905 -22.905 435 1HD1 LEU 56 HD12 LEU 56 11.816 -23.274 -23.274 436 2HD1 LEU 56 HD11 LEU 56 13.469 -22.691 -22.691 437 3HD1 LEU 56 HD13 LEU 56 12.937 -24.140 -24.140 438 1HD2 LEU 56 HD23 LEU 56 13.144 -20.958 -20.958 439 2HD2 LEU 56 HD22 LEU 56 13.770 -22.605 -22.605 440 3HD2 LEU 56 HD21 LEU 56 14.197 -21.539 -21.539 441 H LYS 57 HN LYS 57 9.849 -20.174 -20.174 442 HA LYS 57 HA LYS 57 10.073 -22.295 -22.295 443 1HB LYS 57 HB2 LYS 57 8.241 -19.880 -19.880 444 2HB LYS 57 HB1 LYS 57 8.058 -21.206 -21.206 445 1HG LYS 57 HG2 LYS 57 8.260 -21.878 -21.878 446 2HG LYS 57 HG1 LYS 57 6.745 -21.203 -21.203 447 1HD LYS 57 HD2 LYS 57 6.383 -22.997 -22.997 448 2HD LYS 57 HD1 LYS 57 8.069 -23.510 -23.510 449 1HE LYS 57 HE2 LYS 57 6.531 -24.990 -24.990 450 2HE LYS 57 HE1 LYS 57 7.803 -24.260 -24.260 451 1HZ LYS 57 HZ3 LYS 57 6.159 -22.467 -22.467 452 2HZ LYS 57 HZ2 LYS 57 4.964 -23.436 -23.436 453 3HZ LYS 57 HZ1 LYS 57 5.796 -23.991 -23.991 454 H GLY 58 HN GLY 58 9.117 -19.340 -19.340 455 1HA GLY 58 HA2 GLY 58 11.143 -19.570 -19.570 456 2HA GLY 58 HA1 GLY 58 10.008 -18.231 -18.231 457 H ALA 59 HN ALA 59 11.081 -16.325 -16.325 458 HA ALA 59 HA ALA 59 12.728 -15.748 -15.748 459 1HB ALA 59 HB1 ALA 59 14.178 -16.973 -16.973 460 2HB ALA 59 HB3 ALA 59 14.956 -15.626 -15.626 461 3HB ALA 59 HB2 ALA 59 14.524 -17.077 -17.077 462 H ASP 60 HN ASP 60 11.114 -13.972 -13.972 463 HA ASP 60 HA ASP 60 11.772 -12.300 -12.300 464 1HB ASP 60 HB2 ASP 60 9.527 -12.221 -12.221 465 2HB ASP 60 HB1 ASP 60 10.251 -11.622 -11.622 466 H ILE 61 HN ILE 61 13.489 -13.132 -13.132 467 HA ILE 61 HA ILE 61 14.516 -10.938 -10.938 468 HB ILE 61 HB ILE 61 15.067 -13.421 -13.421 469 1HG1 ILE 61 HG12 ILE 61 17.159 -11.255 -11.255 470 2HG1 ILE 61 HG11 ILE 61 16.300 -12.005 -12.005 471 1HG2 ILE 61 HG21 ILE 61 15.678 -13.472 -13.472 472 2HG2 ILE 61 HG23 ILE 61 17.227 -12.796 -12.796 473 3HG2 ILE 61 HG22 ILE 61 16.716 -14.372 -14.372 474 1HD1 ILE 61 HD13 ILE 61 17.494 -14.198 -14.198 475 2HD1 ILE 61 HD12 ILE 61 18.676 -12.977 -12.977 476 3HD1 ILE 61 HD11 ILE 61 18.247 -13.181 -13.181 477 H ASN 62 HN ASN 62 14.609 -11.475 -11.475 478 HA ASN 62 HA ASN 62 16.479 -9.220 -9.220 479 1HB ASN 62 HB2 ASN 62 17.658 -10.555 -10.555 480 2HB ASN 62 HB1 ASN 62 18.008 -11.038 -11.038 481 1HD2 ASN 62 HD21 ASN 62 14.885 -12.032 -12.032 482 2HD2 ASN 62 HD22 ASN 62 15.164 -13.614 -13.614 483 H ALA 63 HN ALA 63 14.161 -11.434 -11.434 484 HA ALA 63 HA ALA 63 13.493 -10.931 -10.931 485 1HB ALA 63 HB2 ALA 63 11.732 -10.553 -10.553 486 2HB ALA 63 HB1 ALA 63 11.079 -10.219 -10.219 487 3HB ALA 63 HB3 ALA 63 11.708 -11.824 -11.824 488 HA PRO 64 HA PRO 64 11.769 -6.240 -6.240 489 1HB PRO 64 HB2 PRO 64 14.551 -5.777 -5.777 490 2HB PRO 64 HB1 PRO 64 13.036 -4.981 -4.981 491 1HG PRO 64 HG2 PRO 64 14.224 -7.153 -7.153 492 2HG PRO 64 HG1 PRO 64 12.555 -6.592 -6.592 493 1HD PRO 64 HD2 PRO 64 13.336 -9.105 -9.105 494 2HD PRO 64 HD1 PRO 64 11.713 -8.409 -8.409 495 H ASP 65 HN ASP 65 11.791 -4.944 -4.944 496 HA ASP 65 HA ASP 65 14.175 -4.699 -4.699 497 1HB ASP 65 HB2 ASP 65 11.475 -5.762 -5.762 498 2HB ASP 65 HB1 ASP 65 12.544 -4.953 -4.953 499 H LYS 66 HN LYS 66 10.775 -3.813 -3.813 500 HA LYS 66 HA LYS 66 11.206 -1.113 -1.113 501 1HB LYS 66 HB2 LYS 66 9.082 -2.646 -2.646 502 2HB LYS 66 HB1 LYS 66 8.732 -2.034 -2.034 503 1HG LYS 66 HG2 LYS 66 9.328 -0.256 -0.256 504 2HG LYS 66 HG1 LYS 66 7.713 -0.713 -0.713 505 1HD LYS 66 HD2 LYS 66 8.669 0.177 0.177 506 2HD LYS 66 HD1 LYS 66 9.623 1.172 1.172 507 1HE LYS 66 HE2 LYS 66 6.600 0.944 0.944 508 2HE LYS 66 HE1 LYS 66 7.534 2.320 2.320 509 1HZ LYS 66 HZ2 LYS 66 8.553 2.234 2.234 510 2HZ LYS 66 HZ1 LYS 66 7.134 1.386 1.386 511 3HZ LYS 66 HZ3 LYS 66 7.034 2.959 2.959 512 H HIS 67 HN HIS 67 11.030 -2.816 -2.816 513 HA HIS 67 HA HIS 67 10.723 -0.437 -0.437 514 1HB HIS 67 HB2 HIS 67 11.734 -3.105 -3.105 515 2HB HIS 67 HB1 HIS 67 10.721 -1.939 -1.939 516 HD1 HIS 67 HD1 HIS 67 10.458 -4.019 -4.019 517 HD2 HIS 67 HD2 HIS 67 8.074 -2.704 -2.704 518 HE1 HIS 67 HE1 HIS 67 8.151 -4.987 -4.987 519 H HIS 68 HN HIS 68 13.201 -1.630 -1.630 520 HA HIS 68 HA HIS 68 15.570 -1.549 -1.549 521 1HB HIS 68 HB2 HIS 68 14.813 0.727 0.727 522 2HB HIS 68 HB1 HIS 68 14.779 1.186 1.186 523 HD1 HIS 68 HD1 HIS 68 17.323 -0.524 -0.524 524 HD2 HIS 68 HD2 HIS 68 17.155 2.398 2.398 525 HE1 HIS 68 HE1 HIS 68 19.699 0.277 0.277 526 H ILE 69 HN ILE 69 14.367 -2.625 -2.625 527 HA ILE 69 HA ILE 69 16.703 -2.152 -2.152 528 HB ILE 69 HB ILE 69 14.510 -0.460 -0.460 529 1HG1 ILE 69 HG12 ILE 69 16.776 0.019 0.019 530 2HG1 ILE 69 HG11 ILE 69 15.641 0.227 0.227 531 1HG2 ILE 69 HG22 ILE 69 13.224 -2.327 -2.327 532 2HG2 ILE 69 HG21 ILE 69 14.473 -2.515 -2.515 533 3HG2 ILE 69 HG23 ILE 69 13.521 -1.033 -1.033 534 1HD1 ILE 69 HD11 ILE 69 16.225 -2.295 -2.295 535 2HD1 ILE 69 HD13 ILE 69 17.678 -1.938 -1.938 536 3HD1 ILE 69 HD12 ILE 69 17.313 -1.017 -1.017 537 H THR 70 HN THR 70 16.771 -3.658 -3.658 538 HA THR 70 HA THR 70 14.933 -5.980 -5.980 539 HB THR 70 HB THR 70 16.955 -6.976 -6.976 540 HG1 THR 70 HG1 THR 70 16.444 -7.000 -7.000 541 1HG2 THR 70 HG23 THR 70 18.190 -4.862 -4.862 542 2HG2 THR 70 HG22 THR 70 19.108 -6.215 -6.215 543 3HG2 THR 70 HG21 THR 70 18.357 -5.053 -5.053 544 HA PRO 71 HA PRO 71 13.331 -5.354 -5.354 545 1HB PRO 71 HB2 PRO 71 13.578 -8.057 -8.057 546 2HB PRO 71 HB1 PRO 71 12.149 -7.242 -7.242 547 1HG PRO 71 HG2 PRO 71 13.747 -9.272 -9.272 548 2HG PRO 71 HG1 PRO 71 12.322 -8.454 -8.454 549 1HD PRO 71 HD2 PRO 71 15.087 -8.085 -8.085 550 2HD PRO 71 HD1 PRO 71 13.658 -7.290 -7.290 551 H LEU 72 HN LEU 72 16.565 -6.936 -6.936 552 HA LEU 72 HA LEU 72 16.780 -7.047 -7.047 553 1HB LEU 72 HB2 LEU 72 19.277 -6.084 -6.084 554 2HB LEU 72 HB1 LEU 72 18.989 -7.495 -7.495 555 HG LEU 72 HG LEU 72 19.646 -8.426 -8.426 556 1HD1 LEU 72 HD11 LEU 72 16.806 -8.558 -8.558 557 2HD1 LEU 72 HD13 LEU 72 17.120 -8.718 -8.718 558 3HD1 LEU 72 HD12 LEU 72 17.897 -9.805 -9.805 559 1HD2 LEU 72 HD23 LEU 72 18.004 -6.300 -6.300 560 2HD2 LEU 72 HD22 LEU 72 19.760 -6.358 -6.358 561 3HD2 LEU 72 HD21 LEU 72 18.914 -7.581 -7.581 562 H LEU 73 HN LEU 73 17.247 -4.289 -4.289 563 HA LEU 73 HA LEU 73 18.118 -2.526 -2.526 564 1HB LEU 73 HB2 LEU 73 16.781 -1.884 -1.884 565 2HB LEU 73 HB1 LEU 73 17.535 -0.695 -0.695 566 HG LEU 73 HG LEU 73 19.600 -2.376 -2.376 567 1HD1 LEU 73 HD13 LEU 73 17.778 -3.410 -3.410 568 2HD1 LEU 73 HD12 LEU 73 19.216 -2.785 -2.785 569 3HD1 LEU 73 HD11 LEU 73 19.372 -4.006 -4.006 570 1HD2 LEU 73 HD21 LEU 73 18.730 -0.174 -0.174 571 2HD2 LEU 73 HD23 LEU 73 20.017 -0.182 -0.182 572 3HD2 LEU 73 HD22 LEU 73 20.231 -1.034 -1.034 573 H SER 74 HN SER 74 14.970 -3.681 -3.681 574 HA SER 74 HA SER 74 13.388 -1.596 -1.596 575 1HB SER 74 HB2 SER 74 12.140 -3.182 -3.182 576 2HB SER 74 HB1 SER 74 12.928 -4.535 -4.535 577 HG SER 74 HG SER 74 10.845 -4.214 -4.214 578 H ALA 75 HN ALA 75 14.644 -4.529 -4.529 579 HA ALA 75 HA ALA 75 13.606 -3.791 -3.791 580 1HB ALA 75 HB1 ALA 75 15.757 -5.755 -5.755 581 2HB ALA 75 HB3 ALA 75 15.184 -5.575 -5.575 582 3HB ALA 75 HB2 ALA 75 14.078 -6.119 -6.119 583 H VAL 76 HN VAL 76 16.630 -3.208 -3.208 584 HA VAL 76 HA VAL 76 18.351 -2.445 -2.445 585 HB VAL 76 HB VAL 76 17.835 -1.292 -1.292 586 1HG1 VAL 76 HG12 VAL 76 18.902 0.370 0.370 587 2HG1 VAL 76 HG11 VAL 76 20.346 -0.558 -0.558 588 3HG1 VAL 76 HG13 VAL 76 19.476 0.302 0.302 589 1HG2 VAL 76 HG21 VAL 76 18.833 -3.540 -3.540 590 2HG2 VAL 76 HG23 VAL 76 19.989 -2.397 -2.397 591 3HG2 VAL 76 HG22 VAL 76 20.117 -2.877 -2.877 592 H TYR 77 HN TYR 77 16.195 -0.025 -0.025 593 HA TYR 77 HA TYR 77 16.541 1.817 1.817 594 1HB TYR 77 HB2 TYR 77 14.271 2.206 2.206 595 2HB TYR 77 HB1 TYR 77 15.471 3.365 3.365 596 HD1 TYR 77 HD2 TYR 77 17.734 3.425 3.425 597 HD2 TYR 77 HD1 TYR 77 14.646 0.870 0.870 598 HE1 TYR 77 HE2 TYR 77 19.024 3.125 3.125 599 HE2 TYR 77 HE1 TYR 77 15.932 0.572 0.572 600 HH TYR 77 HH TYR 77 19.160 1.358 1.358 601 H GLU 78 HN GLU 78 15.457 -0.711 -0.711 602 HA GLU 78 HA GLU 78 12.767 0.254 0.254 603 1HB GLU 78 HB2 GLU 78 12.715 -1.700 -1.700 604 2HB GLU 78 HB1 GLU 78 13.454 -2.670 -2.670 605 1HG GLU 78 HG2 GLU 78 11.587 -2.500 -2.500 606 2HG GLU 78 HG1 GLU 78 11.006 -1.032 -1.032 607 H GLY 79 HN GLY 79 15.824 -1.119 -1.119 608 1HA GLY 79 HA2 GLY 79 16.709 -1.061 -1.061 609 2HA GLY 79 HA1 GLY 79 15.074 -0.813 -0.813 610 H HIS 80 HN HIS 80 14.503 -3.162 -3.162 611 HA HIS 80 HA HIS 80 14.535 -5.257 -5.257 612 1HB HIS 80 HB2 HIS 80 13.644 -5.064 -5.064 613 2HB HIS 80 HB1 HIS 80 13.845 -6.647 -6.647 614 HD1 HIS 80 HD1 HIS 80 11.549 -7.425 -7.425 615 HD2 HIS 80 HD2 HIS 80 12.100 -3.430 -3.430 616 HE1 HIS 80 HE1 HIS 80 9.423 -6.701 -6.701 617 H VAL 81 HN VAL 81 15.942 -4.967 -4.967 618 HA VAL 81 HA VAL 81 17.705 -6.200 -6.200 619 HB VAL 81 HB VAL 81 19.849 -5.794 -5.794 620 1HG1 VAL 81 HG13 VAL 81 19.081 -4.574 -4.574 621 2HG1 VAL 81 HG12 VAL 81 18.270 -3.422 -3.422 622 3HG1 VAL 81 HG11 VAL 81 20.025 -3.597 -3.597 623 1HG2 VAL 81 HG22 VAL 81 17.779 -3.968 -3.968 624 2HG2 VAL 81 HG21 VAL 81 18.630 -5.288 -5.288 625 3HG2 VAL 81 HG23 VAL 81 19.512 -3.867 -3.867 626 H SER 82 HN SER 82 16.069 -7.614 -7.614 627 HA SER 82 HA SER 82 18.040 -9.617 -9.617 628 1HB SER 82 HB2 SER 82 15.290 -8.956 -8.956 629 2HB SER 82 HB1 SER 82 15.419 -10.669 -10.669 630 HG SER 82 HG SER 82 16.843 -9.172 -9.172 631 H CYS 83 HN CYS 83 15.997 -8.881 -8.881 632 HA CYS 83 HA CYS 83 15.947 -11.592 -11.592 633 1HB CYS 83 HB2 CYS 83 15.115 -10.021 -10.021 634 2HB CYS 83 HB1 CYS 83 14.045 -10.519 -10.519 635 HG CYS 83 HG CYS 83 14.247 -8.209 -8.209 636 H VAL 84 HN VAL 84 17.433 -8.435 -8.435 637 HA VAL 84 HA VAL 84 18.872 -9.151 -9.151 638 HB VAL 84 HB VAL 84 20.651 -7.602 -7.602 639 1HG1 VAL 84 HG12 VAL 84 18.464 -6.760 -6.760 640 2HG1 VAL 84 HG11 VAL 84 17.894 -6.611 -6.611 641 3HG1 VAL 84 HG13 VAL 84 19.245 -5.624 -5.624 642 1HG2 VAL 84 HG22 VAL 84 19.232 -7.925 -7.925 643 2HG2 VAL 84 HG21 VAL 84 20.954 -8.080 -8.080 644 3HG2 VAL 84 HG23 VAL 84 20.194 -6.489 -6.489 645 H LYS 85 HN LYS 85 19.766 -9.842 -9.842 646 HA LYS 85 HA LYS 85 22.249 -11.051 -11.051 647 1HB LYS 85 HB2 LYS 85 20.268 -10.930 -10.930 648 2HB LYS 85 HB1 LYS 85 20.836 -12.588 -12.588 649 1HG LYS 85 HG2 LYS 85 22.327 -11.534 -11.534 650 2HG LYS 85 HG1 LYS 85 23.218 -11.604 -11.604 651 1HD LYS 85 HD2 LYS 85 22.452 -9.273 -9.273 652 2HD LYS 85 HD1 LYS 85 21.703 -9.217 -9.217 653 1HE LYS 85 HE2 LYS 85 24.651 -9.652 -9.652 654 2HE LYS 85 HE1 LYS 85 23.925 -8.178 -8.178 655 1HZ LYS 85 HZ3 LYS 85 22.985 -9.928 -9.928 656 2HZ LYS 85 HZ2 LYS 85 24.426 -10.726 -10.726 657 3HZ LYS 85 HZ1 LYS 85 24.476 -9.148 -9.148 658 H LEU 86 HN LEU 86 19.395 -13.143 -13.143 659 HA LEU 86 HA LEU 86 20.588 -15.359 -15.359 660 1HB LEU 86 HB2 LEU 86 18.798 -16.543 -16.543 661 2HB LEU 86 HB1 LEU 86 18.509 -15.112 -15.112 662 HG LEU 86 HG LEU 86 16.442 -15.645 -15.645 663 1HD1 LEU 86 HD12 LEU 86 17.521 -13.219 -13.219 664 2HD1 LEU 86 HD11 LEU 86 17.166 -13.656 -13.656 665 3HD1 LEU 86 HD13 LEU 86 15.876 -13.632 -13.632 666 1HD2 LEU 86 HD21 LEU 86 17.978 -16.808 -16.808 667 2HD2 LEU 86 HD23 LEU 86 16.228 -16.817 -16.817 668 3HD2 LEU 86 HD22 LEU 86 17.019 -15.554 -15.554 669 H LEU 87 HN LEU 87 19.526 -12.561 -12.561 670 HA LEU 87 HA LEU 87 18.242 -13.669 -13.669 671 1HB LEU 87 HB2 LEU 87 18.662 -11.100 -11.100 672 2HB LEU 87 HB1 LEU 87 19.401 -11.075 -11.075 673 HG LEU 87 HG LEU 87 16.586 -12.030 -12.030 674 1HD1 LEU 87 HD11 LEU 87 17.673 -9.393 -9.393 675 2HD1 LEU 87 HD13 LEU 87 16.000 -9.890 -9.890 676 3HD1 LEU 87 HD12 LEU 87 16.607 -9.667 -9.667 677 1HD2 LEU 87 HD22 LEU 87 18.317 -11.863 -11.863 678 2HD2 LEU 87 HD21 LEU 87 17.132 -13.089 -13.089 679 3HD2 LEU 87 HD23 LEU 87 16.593 -11.534 -11.534 680 H LEU 88 HN LEU 88 21.231 -11.666 -11.666 681 HA LEU 88 HA LEU 88 22.094 -12.696 -12.696 682 1HB LEU 88 HB2 LEU 88 24.334 -11.950 -11.950 683 2HB LEU 88 HB1 LEU 88 23.211 -10.769 -10.769 684 HG LEU 88 HG LEU 88 24.916 -11.076 -11.076 685 1HD1 LEU 88 HD11 LEU 88 22.515 -11.075 -11.075 686 2HD1 LEU 88 HD13 LEU 88 22.644 -12.825 -12.825 687 3HD1 LEU 88 HD12 LEU 88 23.663 -11.768 -11.768 688 1HD2 LEU 88 HD21 LEU 88 25.316 -13.559 -13.559 689 2HD2 LEU 88 HD23 LEU 88 25.973 -13.035 -13.035 690 3HD2 LEU 88 HD22 LEU 88 24.486 -13.976 -13.976 691 H SER 89 HN SER 89 21.866 -14.361 -14.361 692 HA SER 89 HA SER 89 23.944 -16.267 -16.267 693 1HB SER 89 HB2 SER 89 22.196 -16.054 -16.054 694 2HB SER 89 HB1 SER 89 21.099 -16.933 -16.933 695 HG SER 89 HG SER 89 23.407 -17.780 -17.780 696 H LYS 90 HN LYS 90 21.455 -15.532 -15.532 697 HA LYS 90 HA LYS 90 21.649 -18.181 -18.181 698 1HB LYS 90 HB2 LYS 90 19.548 -16.005 -16.005 699 2HB LYS 90 HB1 LYS 90 19.545 -17.566 -17.566 700 1HG LYS 90 HG2 LYS 90 19.296 -18.729 -18.729 701 2HG LYS 90 HG1 LYS 90 19.476 -17.225 -17.225 702 1HD LYS 90 HD2 LYS 90 17.095 -17.888 -17.888 703 2HD LYS 90 HD1 LYS 90 17.417 -16.355 -16.355 704 1HE LYS 90 HE2 LYS 90 17.257 -17.294 -17.294 705 2HE LYS 90 HE1 LYS 90 17.622 -18.920 -18.920 706 1HZ LYS 90 HZ1 LYS 90 15.174 -17.524 -17.524 707 2HZ LYS 90 HZ3 LYS 90 15.217 -18.347 -18.347 708 3HZ LYS 90 HZ2 LYS 90 15.497 -19.192 -19.192 709 H GLY 91 HN GLY 91 22.250 -14.815 -14.815 710 1HA GLY 91 HA2 GLY 91 24.116 -14.386 -14.386 711 2HA GLY 91 HA1 GLY 91 22.831 -14.858 -14.858 712 H ALA 92 HN ALA 92 21.115 -13.430 -13.430 713 HA ALA 92 HA ALA 92 20.152 -11.294 -11.294 714 1HB ALA 92 HB2 ALA 92 20.108 -12.136 -12.136 715 2HB ALA 92 HB1 ALA 92 20.492 -10.417 -10.417 716 3HB ALA 92 HB3 ALA 92 19.030 -10.981 -10.981 717 H ASP 93 HN ASP 93 23.405 -11.543 -11.543 718 HA ASP 93 HA ASP 93 25.110 -9.909 -9.909 719 1HB ASP 93 HB2 ASP 93 24.049 -9.891 -9.891 720 2HB ASP 93 HB1 ASP 93 23.813 -8.206 -8.206 721 H LYS 94 HN LYS 94 24.375 -7.005 -7.005 722 HA LYS 94 HA LYS 94 22.461 -6.200 -6.200 723 1HB LYS 94 HB2 LYS 94 24.002 -4.822 -4.822 724 2HB LYS 94 HB1 LYS 94 24.507 -6.507 -6.507 725 1HG LYS 94 HG2 LYS 94 25.651 -4.609 -4.609 726 2HG LYS 94 HG1 LYS 94 26.315 -4.690 -4.690 727 1HD LYS 94 HD2 LYS 94 27.476 -6.544 -6.544 728 2HD LYS 94 HD1 LYS 94 25.990 -7.376 -7.376 729 1HE LYS 94 HE2 LYS 94 26.098 -6.432 -6.432 730 2HE LYS 94 HE1 LYS 94 27.510 -5.473 -5.473 731 1HZ LYS 94 HZ1 LYS 94 27.591 -8.378 -8.378 732 2HZ LYS 94 HZ3 LYS 94 27.777 -7.762 -7.762 733 3HZ LYS 94 HZ2 LYS 94 28.855 -7.296 -7.296 734 H THR 95 HN THR 95 24.720 -5.429 -5.429 735 HA THR 95 HA THR 95 23.188 -2.912 -2.912 736 HB THR 95 HB THR 95 25.386 -2.298 -2.298 737 HG1 THR 95 HG1 THR 95 26.872 -3.740 -3.740 738 1HG2 THR 95 HG21 THR 95 24.488 -1.377 -1.377 739 2HG2 THR 95 HG23 THR 95 25.705 -2.420 -2.420 740 3HG2 THR 95 HG22 THR 95 26.194 -1.143 -1.143 741 H VAL 96 HN VAL 96 22.662 -5.684 -5.684 742 HA VAL 96 HA VAL 96 23.507 -5.850 -5.850 743 HB VAL 96 HB VAL 96 22.000 -7.516 -7.516 744 1HG1 VAL 96 HG13 VAL 96 21.372 -7.650 -7.650 745 2HG1 VAL 96 HG12 VAL 96 20.943 -8.887 -8.887 746 3HG1 VAL 96 HG11 VAL 96 20.230 -7.281 -7.281 747 1HG2 VAL 96 HG22 VAL 96 24.358 -7.894 -7.894 748 2HG2 VAL 96 HG21 VAL 96 23.298 -9.282 -9.282 749 3HG2 VAL 96 HG23 VAL 96 23.720 -8.239 -8.239 750 H LYS 97 HN LYS 97 21.245 -3.974 -3.974 751 HA LYS 97 HA LYS 97 19.968 -3.299 -3.299 752 1HB LYS 97 HB2 LYS 97 18.759 -5.283 -5.283 753 2HB LYS 97 HB1 LYS 97 17.853 -3.832 -3.832 754 1HG LYS 97 HG2 LYS 97 16.751 -4.738 -4.738 755 2HG LYS 97 HG1 LYS 97 17.697 -3.380 -3.380 756 1HD LYS 97 HD2 LYS 97 19.331 -4.787 -4.787 757 2HD LYS 97 HD1 LYS 97 18.849 -6.169 -6.169 758 1HE LYS 97 HE2 LYS 97 18.081 -6.362 -6.362 759 2HE LYS 97 HE1 LYS 97 16.745 -6.349 -6.349 760 1HZ LYS 97 HZ3 LYS 97 16.864 -3.793 -3.793 761 2HZ LYS 97 HZ2 LYS 97 17.598 -4.269 -4.269 762 3HZ LYS 97 HZ1 LYS 97 16.032 -4.806 -4.806 763 H GLY 98 HN GLY 98 21.043 -2.396 -2.396 764 1HA GLY 98 HA2 GLY 98 19.163 -0.189 -0.189 765 2HA GLY 98 HA1 GLY 98 20.667 -0.450 -0.450 766 HA PRO 99 HA PRO 99 21.083 3.051 3.051 767 1HB PRO 99 HB2 PRO 99 22.359 4.527 4.527 768 2HB PRO 99 HB1 PRO 99 20.855 4.917 4.917 769 1HG PRO 99 HG2 PRO 99 21.180 3.875 3.875 770 2HG PRO 99 HG1 PRO 99 19.680 4.345 4.345 771 1HD PRO 99 HD2 PRO 99 20.543 1.693 1.693 772 2HD PRO 99 HD1 PRO 99 19.125 2.149 2.149 773 H ASP 100 HN ASP 100 23.400 3.030 3.030 774 HA ASP 100 HA ASP 100 25.348 1.563 1.563 775 1HB ASP 100 HB2 ASP 100 25.583 4.084 4.084 776 2HB ASP 100 HB1 ASP 100 26.085 4.186 4.186 777 H GLY 101 HN GLY 101 27.217 2.903 2.903 778 1HA GLY 101 HA2 GLY 101 27.363 0.647 0.647 779 2HA GLY 101 HA1 GLY 101 28.130 2.200 2.200 780 H LEU 102 HN LEU 102 24.871 2.797 2.797 781 HA LEU 102 HA LEU 102 24.354 3.698 3.698 782 1HB LEU 102 HB2 LEU 102 22.845 4.024 4.024 783 2HB LEU 102 HB1 LEU 102 22.259 2.380 2.380 784 HG LEU 102 HG LEU 102 22.038 4.659 4.659 785 1HD1 LEU 102 HD12 LEU 102 20.026 3.265 3.265 786 2HD1 LEU 102 HD11 LEU 102 19.567 4.270 4.270 787 3HD1 LEU 102 HD13 LEU 102 20.440 4.982 4.982 788 1HD2 LEU 102 HD22 LEU 102 21.334 1.733 1.733 789 2HD2 LEU 102 HD21 LEU 102 22.170 2.728 2.728 790 3HD2 LEU 102 HD23 LEU 102 20.437 2.919 2.919 791 H THR 103 HN THR 103 22.921 0.680 0.680 792 HA THR 103 HA THR 103 22.053 -0.996 -0.996 793 HB THR 103 HB THR 103 23.850 -2.144 -2.144 794 HG1 THR 103 HG1 THR 103 25.091 -2.660 -2.660 795 1HG2 THR 103 HG22 THR 103 25.611 -0.260 -0.260 796 2HG2 THR 103 HG21 THR 103 26.240 -1.706 -1.706 797 3HG2 THR 103 HG23 THR 103 25.499 -0.429 -0.429 798 H ALA 104 HN ALA 104 24.773 -1.225 -1.225 799 HA ALA 104 HA ALA 104 23.239 -0.205 -0.205 800 1HB ALA 104 HB3 ALA 104 25.692 -1.908 -1.908 801 2HB ALA 104 HB2 ALA 104 25.293 -1.206 -1.206 802 3HB ALA 104 HB1 ALA 104 24.166 -2.312 -2.312 803 H LEU 105 HN LEU 105 26.040 0.685 0.685 804 HA LEU 105 HA LEU 105 27.429 2.315 2.315 805 1HB LEU 105 HB2 LEU 105 27.093 2.931 2.931 806 2HB LEU 105 HB1 LEU 105 28.464 3.294 3.294 807 HG LEU 105 HG LEU 105 27.538 0.556 0.556 808 1HD1 LEU 105 HD13 LEU 105 28.927 2.003 2.003 809 2HD1 LEU 105 HD12 LEU 105 30.216 1.917 1.917 810 3HD1 LEU 105 HD11 LEU 105 29.644 0.445 0.445 811 1HD2 LEU 105 HD22 LEU 105 29.488 1.423 1.423 812 2HD2 LEU 105 HD21 LEU 105 28.227 0.194 0.194 813 3HD2 LEU 105 HD23 LEU 105 29.693 -0.116 -0.116 814 H GLU 106 HN GLU 106 25.482 3.778 3.778 815 HA GLU 106 HA GLU 106 25.216 6.188 6.188 816 1HB GLU 106 HB2 GLU 106 23.773 5.540 5.540 817 2HB GLU 106 HB1 GLU 106 24.159 7.123 7.123 818 1HG GLU 106 HG2 GLU 106 26.256 5.081 5.081 819 2HG GLU 106 HG1 GLU 106 25.690 6.354 6.354 820 H ALA 107 HN ALA 107 23.645 3.348 3.348 821 HA ALA 107 HA ALA 107 20.901 4.289 4.289 822 1HB ALA 107 HB2 ALA 107 22.281 1.799 1.799 823 2HB ALA 107 HB1 ALA 107 20.611 2.119 2.119 824 3HB ALA 107 HB3 ALA 107 21.035 1.980 1.980 825 H THR 108 HN THR 108 23.196 3.507 3.507 826 HA THR 108 HA THR 108 21.897 5.628 5.628 827 HB THR 108 HB THR 108 20.464 3.658 3.658 828 HG1 THR 108 HG1 THR 108 21.472 5.189 5.189 829 1HG2 THR 108 HG21 THR 108 22.489 2.099 2.099 830 2HG2 THR 108 HG23 THR 108 22.856 2.347 2.347 831 3HG2 THR 108 HG22 THR 108 21.321 1.615 1.615 832 H ASP 109 HN ASP 109 22.849 4.498 4.498 833 HA ASP 109 HA ASP 109 25.787 4.499 4.499 834 1HB ASP 109 HB2 ASP 109 24.922 6.835 6.835 835 2HB ASP 109 HB1 ASP 109 24.391 6.189 6.189 836 H ASN 110 HN ASN 110 23.061 3.074 3.074 837 HA ASN 110 HA ASN 110 24.249 2.316 2.316 838 1HB ASN 110 HB2 ASN 110 22.331 0.836 0.836 839 2HB ASN 110 HB1 ASN 110 21.777 2.396 2.396 840 1HD2 ASN 110 HD21 ASN 110 23.204 1.268 1.268 841 2HD2 ASN 110 HD22 ASN 110 21.933 0.394 0.394 842 H GLN 111 HN GLN 111 25.307 0.392 0.392 843 HA GLN 111 HA GLN 111 26.838 -0.776 -0.776 844 1HB GLN 111 HB2 GLN 111 27.728 -0.574 -0.574 845 2HB GLN 111 HB1 GLN 111 26.477 -1.652 -1.652 846 1HG GLN 111 HG2 GLN 111 27.435 -3.540 -3.540 847 2HG GLN 111 HG1 GLN 111 28.188 -2.637 -2.637 848 1HE2 GLN 111 HE21 GLN 111 28.375 -2.490 -2.490 849 2HE2 GLN 111 HE22 GLN 111 30.072 -2.469 -2.469 850 H ALA 112 HN ALA 112 23.649 -1.487 -1.487 851 HA ALA 112 HA ALA 112 23.897 -4.383 -4.383 852 1HB ALA 112 HB1 ALA 112 22.063 -3.326 -3.326 853 2HB ALA 112 HB3 ALA 112 21.396 -2.696 -2.696 854 3HB ALA 112 HB2 ALA 112 21.488 -4.439 -4.439 855 H ILE 113 HN ILE 113 22.744 -1.660 -1.660 856 HA ILE 113 HA ILE 113 22.202 -3.162 -3.162 857 HB ILE 113 HB ILE 113 22.618 -0.272 -0.272 858 1HG1 ILE 113 HG12 ILE 113 20.388 -0.158 -0.158 859 2HG1 ILE 113 HG11 ILE 113 20.378 -1.914 -1.914 860 1HG2 ILE 113 HG23 ILE 113 22.671 -1.432 -1.432 861 2HG2 ILE 113 HG22 ILE 113 22.165 0.229 0.229 862 3HG2 ILE 113 HG21 ILE 113 23.792 -0.285 -0.285 863 1HD1 ILE 113 HD13 ILE 113 20.913 -1.370 -1.370 864 2HD1 ILE 113 HD12 ILE 113 20.027 0.093 0.093 865 3HD1 ILE 113 HD11 ILE 113 19.268 -1.480 -1.480 866 H LYS 114 HN LYS 114 24.907 -1.170 -1.170 867 HA LYS 114 HA LYS 114 26.567 -1.507 -1.507 868 1HB LYS 114 HB2 LYS 114 27.507 -1.410 -1.410 869 2HB LYS 114 HB1 LYS 114 28.413 -0.908 -0.908 870 1HG LYS 114 HG2 LYS 114 25.823 0.364 0.364 871 2HG LYS 114 HG1 LYS 114 27.424 1.023 1.023 872 1HD LYS 114 HD2 LYS 114 27.815 1.125 1.125 873 2HD LYS 114 HD1 LYS 114 26.160 0.571 0.571 874 1HE LYS 114 HE2 LYS 114 26.022 2.931 2.931 875 2HE LYS 114 HE1 LYS 114 25.446 2.558 2.558 876 1HZ LYS 114 HZ2 LYS 114 27.667 3.022 3.022 877 2HZ LYS 114 HZ1 LYS 114 28.200 3.411 3.411 878 3HZ LYS 114 HZ3 LYS 114 27.028 4.374 4.374 879 H ALA 115 HN ALA 115 25.428 -3.778 -3.778 880 HA ALA 115 HA ALA 115 27.569 -5.662 -5.662 881 1HB ALA 115 HB2 ALA 115 25.392 -5.698 -5.698 882 2HB ALA 115 HB1 ALA 115 24.657 -6.464 -6.464 883 3HB ALA 115 HB3 ALA 115 26.010 -7.241 -7.241 884 H LEU 116 HN LEU 116 24.921 -5.030 -5.030 885 HA LEU 116 HA LEU 116 25.573 -7.325 -7.325 886 1HB LEU 116 HB2 LEU 116 23.767 -5.015 -5.015 887 2HB LEU 116 HB1 LEU 116 24.409 -5.563 -5.563 888 HG LEU 116 HG LEU 116 22.924 -7.259 -7.259 889 1HD1 LEU 116 HD12 LEU 116 22.267 -6.174 -6.174 890 2HD1 LEU 116 HD11 LEU 116 21.364 -7.496 -7.496 891 3HD1 LEU 116 HD13 LEU 116 21.384 -5.907 -5.907 892 1HD2 LEU 116 HD23 LEU 116 24.679 -7.949 -7.949 893 2HD2 LEU 116 HD22 LEU 116 24.180 -8.942 -8.942 894 3HD2 LEU 116 HD21 LEU 116 23.109 -8.750 -8.750 895 H LEU 117 HN LEU 117 26.983 -4.123 -4.123 896 HA LEU 117 HA LEU 117 28.250 -4.353 -4.353 897 1HB LEU 117 HB2 LEU 117 29.038 -2.219 -2.219 898 2HB LEU 117 HB1 LEU 117 27.704 -2.214 -2.214 899 HG LEU 117 HG LEU 117 29.441 -3.081 -3.081 900 1HD1 LEU 117 HD12 LEU 117 31.132 -2.621 -2.621 901 2HD1 LEU 117 HD11 LEU 117 31.650 -1.656 -1.656 902 3HD1 LEU 117 HD13 LEU 117 31.524 -3.406 -3.406 903 1HD2 LEU 117 HD21 LEU 117 28.368 -0.788 -0.788 904 2HD2 LEU 117 HD23 LEU 117 29.963 -0.818 -0.818 905 3HD2 LEU 117 HD22 LEU 117 29.774 -0.254 -0.254 906 H GLN 118 HN GLN 118 28.644 -5.896 -5.896 907 HA GLN 118 HA GLN 118 31.512 -6.025 -6.025 908 1HB GLN 118 HB2 GLN 118 31.141 -7.343 -7.343 909 2HB GLN 118 HB1 GLN 118 29.548 -6.607 -6.607 910 1HG GLN 118 HG2 GLN 118 30.411 -9.371 -9.371 911 2HG GLN 118 HG1 GLN 118 29.097 -8.902 -8.902 912 1HE2 GLN 118 HE21 GLN 118 28.381 -10.664 -10.664 913 2HE2 GLN 118 HE22 GLN 118 27.513 -9.902 -9.902 Start of MODEL 2 1 1H MET 1 HT2 MET 1 -11.104 -6.537 -6.537 2 2H MET 1 HT1 MET 1 -11.991 -5.679 -5.679 3 3H MET 1 HT3 MET 1 -12.445 -5.616 -5.616 4 HA MET 1 HA MET 1 -13.865 -7.266 -7.266 5 1HB MET 1 HB2 MET 1 -13.382 -6.566 -6.566 6 2HB MET 1 HB1 MET 1 -12.399 -8.033 -8.033 7 1HG MET 1 HG2 MET 1 -15.295 -8.006 -8.006 8 2HG MET 1 HG1 MET 1 -14.784 -8.333 -8.333 9 1HE MET 1 HE3 MET 1 -16.380 -10.140 -10.140 10 2HE MET 1 HE2 MET 1 -15.266 -11.065 -11.065 11 3HE MET 1 HE1 MET 1 -15.848 -11.752 -11.752 12 H CYS 2 HN CYS 2 -10.714 -8.350 -8.350 13 HA CYS 2 HA CYS 2 -10.489 -10.312 -10.312 14 1HB CYS 2 HB2 CYS 2 -10.804 -11.027 -11.027 15 2HB CYS 2 HB1 CYS 2 -9.903 -12.083 -12.083 16 HG CYS 2 HG CYS 2 -12.436 -12.809 -12.809 17 H ASP 3 HN ASP 3 -9.147 -8.362 -8.362 18 HA ASP 3 HA ASP 3 -6.532 -9.321 -9.321 19 1HB ASP 3 HB2 ASP 3 -7.366 -6.416 -6.416 20 2HB ASP 3 HB1 ASP 3 -5.907 -7.018 -7.018 21 H LYS 4 HN LYS 4 -7.899 -7.189 -7.189 22 HA LYS 4 HA LYS 4 -5.612 -6.557 -6.557 23 1HB LYS 4 HB2 LYS 4 -8.343 -7.220 -7.220 24 2HB LYS 4 HB1 LYS 4 -7.094 -6.284 -6.284 25 1HG LYS 4 HG2 LYS 4 -7.182 -4.657 -4.657 26 2HG LYS 4 HG1 LYS 4 -8.564 -5.554 -5.554 27 1HD LYS 4 HD2 LYS 4 -9.747 -5.209 -5.209 28 2HD LYS 4 HD1 LYS 4 -8.394 -4.237 -4.237 29 1HE LYS 4 HE2 LYS 4 -8.737 -2.583 -2.583 30 2HE LYS 4 HE1 LYS 4 -9.915 -3.608 -3.608 31 1HZ LYS 4 HZ3 LYS 4 -10.800 -3.339 -3.339 32 2HZ LYS 4 HZ2 LYS 4 -10.319 -1.773 -1.773 33 3HZ LYS 4 HZ1 LYS 4 -11.471 -2.632 -2.632 34 H GLU 5 HN GLU 5 -7.853 -9.261 -9.261 35 HA GLU 5 HA GLU 5 -6.463 -10.527 -10.527 36 1HB GLU 5 HB2 GLU 5 -8.615 -11.233 -11.233 37 2HB GLU 5 HB1 GLU 5 -7.537 -12.185 -12.185 38 1HG GLU 5 HG2 GLU 5 -8.070 -13.743 -13.743 39 2HG GLU 5 HG1 GLU 5 -6.635 -13.028 -13.028 40 H PHE 6 HN PHE 6 -5.545 -10.568 -10.568 41 HA PHE 6 HA PHE 6 -3.539 -12.629 -12.629 42 1HB PHE 6 HB2 PHE 6 -4.412 -12.260 -12.260 43 2HB PHE 6 HB1 PHE 6 -3.974 -10.559 -10.559 44 HD1 PHE 6 HD2 PHE 6 -2.097 -13.739 -13.739 45 HD2 PHE 6 HD1 PHE 6 -2.265 -10.119 -10.119 46 HE1 PHE 6 HE2 PHE 6 0.105 -14.279 -14.279 47 HE2 PHE 6 HE1 PHE 6 -0.073 -10.674 -10.674 48 HZ PHE 6 HZ PHE 6 1.114 -12.741 -12.741 49 H MET 7 HN MET 7 -3.051 -9.131 -9.131 50 HA MET 7 HA MET 7 -0.311 -9.173 -9.173 51 1HB MET 7 HB2 MET 7 -0.369 -6.837 -6.837 52 2HB MET 7 HB1 MET 7 -1.616 -7.353 -7.353 53 1HG MET 7 HG2 MET 7 -3.242 -7.091 -7.091 54 2HG MET 7 HG1 MET 7 -1.933 -6.227 -6.227 55 1HE MET 7 HE2 MET 7 -4.053 -6.760 -6.760 56 2HE MET 7 HE1 MET 7 -4.508 -5.176 -5.176 57 3HE MET 7 HE3 MET 7 -3.011 -5.950 -5.950 58 H TRP 8 HN TRP 8 -3.205 -8.538 -8.538 59 HA TRP 8 HA TRP 8 -2.076 -7.630 -7.630 60 1HB TRP 8 HB2 TRP 8 -4.572 -7.919 -7.919 61 2HB TRP 8 HB1 TRP 8 -4.390 -9.574 -9.574 62 HD1 TRP 8 HD1 TRP 8 -3.908 -9.926 -9.926 63 HE1 TRP 8 HE1 TRP 8 -4.365 -8.383 -8.383 64 HE3 TRP 8 HE3 TRP 8 -4.604 -5.441 -5.441 65 HZ2 TRP 8 HZ2 TRP 8 -4.908 -5.663 -5.663 66 HZ3 TRP 8 HZ3 TRP 8 -5.077 -3.374 -3.374 67 HH2 TRP 8 HH2 TRP 8 -5.248 -3.499 -3.499 68 H ALA 9 HN ALA 9 -1.741 -10.842 -10.842 69 HA ALA 9 HA ALA 9 -1.126 -12.057 -12.057 70 1HB ALA 9 HB3 ALA 9 -0.816 -13.043 -13.043 71 2HB ALA 9 HB2 ALA 9 -0.471 -14.016 -14.016 72 3HB ALA 9 HB1 ALA 9 -2.111 -13.445 -13.445 73 H LEU 10 HN LEU 10 0.667 -10.957 -10.957 74 HA LEU 10 HA LEU 10 3.263 -11.680 -11.680 75 1HB LEU 10 HB2 LEU 10 2.278 -9.416 -9.416 76 2HB LEU 10 HB1 LEU 10 3.988 -9.799 -9.799 77 HG LEU 10 HG LEU 10 2.852 -12.280 -12.280 78 1HD1 LEU 10 HD13 LEU 10 0.751 -11.045 -11.045 79 2HD1 LEU 10 HD12 LEU 10 1.673 -10.208 -10.208 80 3HD1 LEU 10 HD11 LEU 10 1.470 -11.952 -11.952 81 1HD2 LEU 10 HD23 LEU 10 4.996 -11.176 -11.176 82 2HD2 LEU 10 HD22 LEU 10 4.090 -12.126 -12.126 83 3HD2 LEU 10 HD21 LEU 10 3.977 -10.371 -10.371 84 H LYS 11 HN LYS 11 1.043 -9.361 -9.361 85 HA LYS 11 HA LYS 11 2.964 -7.503 -7.503 86 1HB LYS 11 HB2 LYS 11 0.999 -6.623 -6.623 87 2HB LYS 11 HB1 LYS 11 -0.021 -7.798 -7.798 88 1HG LYS 11 HG2 LYS 11 0.290 -6.710 -6.710 89 2HG LYS 11 HG1 LYS 11 1.577 -5.695 -5.695 90 1HD LYS 11 HD2 LYS 11 0.068 -4.388 -4.388 91 2HD LYS 11 HD1 LYS 11 -1.234 -5.587 -5.587 92 1HE LYS 11 HE2 LYS 11 -1.334 -3.475 -3.475 93 2HE LYS 11 HE1 LYS 11 -1.613 -5.035 -5.035 94 1HZ LYS 11 HZ1 LYS 11 0.771 -5.058 -5.058 95 2HZ LYS 11 HZ3 LYS 11 0.935 -3.484 -3.484 96 3HZ LYS 11 HZ2 LYS 11 -0.072 -3.769 -3.769 97 H ASN 12 HN ASN 12 0.072 -9.107 -9.107 98 HA ASN 12 HA ASN 12 1.075 -8.872 -8.872 99 1HB ASN 12 HB2 ASN 12 -1.347 -8.798 -8.798 100 2HB ASN 12 HB1 ASN 12 -1.275 -10.489 -10.489 101 1HD2 ASN 12 HD21 ASN 12 -0.970 -8.260 -8.260 102 2HD2 ASN 12 HD22 ASN 12 -1.179 -9.457 -9.457 103 H GLY 13 HN GLY 13 2.425 -10.697 -10.697 104 1HA GLY 13 HA2 GLY 13 3.654 -12.668 -12.668 105 2HA GLY 13 HA1 GLY 13 3.411 -12.607 -12.607 106 H ASP 14 HN ASP 14 0.583 -12.740 -12.740 107 HA ASP 14 HA ASP 14 -0.162 -15.272 -15.272 108 1HB ASP 14 HB2 ASP 14 -1.532 -14.227 -14.227 109 2HB ASP 14 HB1 ASP 14 -2.190 -15.103 -15.103 110 H LEU 15 HN LEU 15 2.139 -15.663 -15.663 111 HA LEU 15 HA LEU 15 2.751 -16.295 -16.295 112 1HB LEU 15 HB2 LEU 15 4.332 -16.312 -16.312 113 2HB LEU 15 HB1 LEU 15 3.533 -17.703 -17.703 114 HG LEU 15 HG LEU 15 5.707 -18.107 -18.107 115 1HD1 LEU 15 HD12 LEU 15 3.390 -19.717 -19.717 116 2HD1 LEU 15 HD11 LEU 15 3.867 -19.880 -19.880 117 3HD1 LEU 15 HD13 LEU 15 5.001 -20.241 -20.241 118 1HD2 LEU 15 HD23 LEU 15 4.960 -16.539 -16.539 119 2HD2 LEU 15 HD22 LEU 15 5.699 -18.046 -18.046 120 3HD2 LEU 15 HD21 LEU 15 3.963 -17.866 -17.866 121 H ASP 16 HN ASP 16 0.659 -17.968 -17.968 122 HA ASP 16 HA ASP 16 0.544 -20.499 -20.499 123 1HB ASP 16 HB2 ASP 16 -1.738 -19.170 -19.170 124 2HB ASP 16 HB1 ASP 16 -1.366 -20.882 -20.882 125 H GLU 17 HN GLU 17 -1.056 -17.414 -17.414 126 HA GLU 17 HA GLU 17 -3.035 -18.494 -18.494 127 1HB GLU 17 HB2 GLU 17 -2.098 -15.711 -15.711 128 2HB GLU 17 HB1 GLU 17 -3.306 -16.007 -16.007 129 1HG GLU 17 HG2 GLU 17 -4.719 -17.199 -17.199 130 2HG GLU 17 HG1 GLU 17 -3.502 -16.947 -16.947 131 H VAL 18 HN VAL 18 0.017 -16.654 -16.654 132 HA VAL 18 HA VAL 18 -0.088 -16.658 -16.658 133 HB VAL 18 HB VAL 18 2.644 -16.594 -16.594 134 1HG1 VAL 18 HG11 VAL 18 1.021 -14.791 -14.791 135 2HG1 VAL 18 HG13 VAL 18 1.131 -14.039 -14.039 136 3HG1 VAL 18 HG12 VAL 18 2.591 -14.337 -14.337 137 1HG2 VAL 18 HG21 VAL 18 1.824 -16.856 -16.856 138 2HG2 VAL 18 HG23 VAL 18 3.008 -15.610 -15.610 139 3HG2 VAL 18 HG22 VAL 18 1.329 -15.167 -15.167 140 H LYS 19 HN LYS 19 1.023 -18.886 -18.886 141 HA LYS 19 HA LYS 19 2.567 -20.682 -20.682 142 1HB LYS 19 HB2 LYS 19 2.206 -20.697 -20.697 143 2HB LYS 19 HB1 LYS 19 0.614 -21.368 -21.368 144 1HG LYS 19 HG2 LYS 19 1.453 -23.476 -23.476 145 2HG LYS 19 HG1 LYS 19 2.757 -22.864 -22.864 146 1HD LYS 19 HD2 LYS 19 2.842 -22.447 -22.447 147 2HD LYS 19 HD1 LYS 19 3.344 -23.983 -23.983 148 1HE LYS 19 HE2 LYS 19 4.436 -21.474 -21.474 149 2HE LYS 19 HE1 LYS 19 5.089 -22.000 -22.000 150 1HZ LYS 19 HZ1 LYS 19 5.104 -24.304 -24.304 151 2HZ LYS 19 HZ3 LYS 19 5.303 -23.258 -23.258 152 3HZ LYS 19 HZ2 LYS 19 6.409 -23.229 -23.229 153 H ASP 20 HN ASP 20 -0.885 -20.340 -20.340 154 HA ASP 20 HA ASP 20 -1.600 -22.729 -22.729 155 1HB ASP 20 HB2 ASP 20 -3.090 -21.229 -21.229 156 2HB ASP 20 HB1 ASP 20 -3.203 -20.162 -20.162 157 H TYR 21 HN TYR 21 -1.178 -19.363 -19.363 158 HA TYR 21 HA TYR 21 -1.996 -19.682 -19.682 159 1HB TYR 21 HB2 TYR 21 -0.030 -17.825 -17.825 160 2HB TYR 21 HB1 TYR 21 -0.216 -17.785 -17.785 161 HD1 TYR 21 HD1 TYR 21 -1.979 -17.466 -17.466 162 HD2 TYR 21 HD2 TYR 21 -2.175 -16.789 -16.789 163 HE1 TYR 21 HE1 TYR 21 -4.049 -16.128 -16.128 164 HE2 TYR 21 HE2 TYR 21 -4.228 -15.441 -15.441 165 HH TYR 21 HH TYR 21 -5.961 -15.418 -15.418 166 H VAL 22 HN VAL 22 1.449 -19.723 -19.723 167 HA VAL 22 HA VAL 22 2.253 -20.717 -20.717 168 HB VAL 22 HB VAL 22 3.655 -19.577 -19.577 169 1HG1 VAL 22 HG11 VAL 22 3.466 -21.798 -21.798 170 2HG1 VAL 22 HG13 VAL 22 4.636 -22.414 -22.414 171 3HG1 VAL 22 HG12 VAL 22 5.056 -21.057 -21.057 172 1HG2 VAL 22 HG21 VAL 22 4.346 -19.970 -19.970 173 2HG2 VAL 22 HG23 VAL 22 5.671 -20.154 -20.154 174 3HG2 VAL 22 HG22 VAL 22 4.883 -21.582 -21.582 175 H ALA 23 HN ALA 23 0.810 -22.317 -22.317 176 HA ALA 23 HA ALA 23 1.906 -24.931 -24.931 177 1HB ALA 23 HB2 ALA 23 0.089 -24.007 -24.007 178 2HB ALA 23 HB1 ALA 23 -1.045 -24.371 -24.371 179 3HB ALA 23 HB3 ALA 23 -0.106 -25.678 -25.678 180 H LYS 24 HN LYS 24 -0.147 -23.038 -23.038 181 HA LYS 24 HA LYS 24 -1.370 -25.030 -25.030 182 1HB LYS 24 HB2 LYS 24 -0.601 -22.172 -22.172 183 2HB LYS 24 HB1 LYS 24 -1.110 -23.130 -23.130 184 1HG LYS 24 HG2 LYS 24 -2.969 -21.869 -21.869 185 2HG LYS 24 HG1 LYS 24 -3.241 -23.596 -23.596 186 1HD LYS 24 HD2 LYS 24 -2.847 -24.019 -24.019 187 2HD LYS 24 HD1 LYS 24 -1.973 -22.515 -22.515 188 1HE LYS 24 HE2 LYS 24 -4.412 -22.671 -22.671 189 2HE LYS 24 HE1 LYS 24 -3.958 -21.223 -21.223 190 1HZ LYS 24 HZ1 LYS 24 -4.780 -22.431 -22.431 191 2HZ LYS 24 HZ3 LYS 24 -5.456 -23.594 -23.594 192 3HZ LYS 24 HZ2 LYS 24 -5.991 -21.986 -21.986 193 H GLY 25 HN GLY 25 1.233 -23.091 -23.091 194 1HA GLY 25 HA2 GLY 25 2.992 -25.320 -25.320 195 2HA GLY 25 HA1 GLY 25 2.094 -24.953 -24.953 196 H GLU 26 HN GLU 26 4.253 -23.585 -23.585 197 HA GLU 26 HA GLU 26 5.564 -21.612 -21.612 198 1HB GLU 26 HB2 GLU 26 7.255 -21.914 -21.914 199 2HB GLU 26 HB1 GLU 26 7.205 -23.138 -23.138 200 1HG GLU 26 HG2 GLU 26 5.789 -24.583 -24.583 201 2HG GLU 26 HG1 GLU 26 5.733 -23.340 -23.340 202 H ASP 27 HN ASP 27 4.520 -19.725 -19.725 203 HA ASP 27 HA ASP 27 4.563 -18.696 -18.696 204 1HB ASP 27 HB2 ASP 27 2.095 -19.018 -19.018 205 2HB ASP 27 HB1 ASP 27 2.208 -17.697 -17.697 206 H VAL 28 HN VAL 28 6.209 -18.191 -18.191 207 HA VAL 28 HA VAL 28 5.274 -15.698 -15.698 208 HB VAL 28 HB VAL 28 7.622 -15.780 -15.780 209 1HG1 VAL 28 HG13 VAL 28 5.707 -18.101 -18.101 210 2HG1 VAL 28 HG12 VAL 28 6.980 -17.618 -17.618 211 3HG1 VAL 28 HG11 VAL 28 5.636 -16.527 -16.527 212 1HG2 VAL 28 HG21 VAL 28 8.248 -17.470 -17.470 213 2HG2 VAL 28 HG23 VAL 28 8.997 -17.592 -17.592 214 3HG2 VAL 28 HG22 VAL 28 7.671 -18.661 -18.661 215 H ASN 29 HN ASN 29 5.140 -14.573 -14.573 216 HA ASN 29 HA ASN 29 7.272 -12.800 -12.800 217 1HB ASN 29 HB2 ASN 29 7.523 -13.624 -13.624 218 2HB ASN 29 HB1 ASN 29 8.460 -14.444 -14.444 219 1HD2 ASN 29 HD21 ASN 29 7.414 -16.497 -16.497 220 2HD2 ASN 29 HD22 ASN 29 6.436 -17.408 -17.408 221 H ARG 30 HN ARG 30 4.583 -12.893 -12.893 222 HA ARG 30 HA ARG 30 3.186 -12.009 -12.009 223 1HB ARG 30 HB2 ARG 30 1.139 -12.624 -12.624 224 2HB ARG 30 HB1 ARG 30 2.265 -13.963 -13.963 225 1HG ARG 30 HG2 ARG 30 1.434 -11.957 -11.957 226 2HG ARG 30 HG1 ARG 30 1.058 -13.674 -13.674 227 1HD ARG 30 HD2 ARG 30 3.592 -14.061 -14.061 228 2HD ARG 30 HD1 ARG 30 3.681 -12.374 -12.374 229 HE ARG 30 HE ARG 30 1.604 -13.586 -13.586 230 1HH1 ARG 30 HH21 ARG 30 5.035 -13.805 -13.805 231 2HH1 ARG 30 HH22 ARG 30 5.225 -14.558 -14.558 232 1HH2 ARG 30 HH11 ARG 30 1.885 -14.524 -14.524 233 2HH2 ARG 30 HH12 ARG 30 3.487 -14.952 -14.952 234 H THR 31 HN THR 31 2.423 -9.990 -9.990 235 HA THR 31 HA THR 31 3.283 -7.932 -7.932 236 HB THR 31 HB THR 31 0.677 -7.707 -7.707 237 HG1 THR 31 HG1 THR 31 2.871 -8.620 -8.620 238 1HG2 THR 31 HG23 THR 31 1.517 -5.808 -5.808 239 2HG2 THR 31 HG22 THR 31 2.999 -5.818 -5.818 240 3HG2 THR 31 HG21 THR 31 1.461 -5.435 -5.435 241 H LEU 32 HN LEU 32 2.532 -7.187 -7.187 242 HA LEU 32 HA LEU 32 0.820 -8.732 -8.732 243 1HB LEU 32 HB2 LEU 32 2.591 -7.015 -7.015 244 2HB LEU 32 HB1 LEU 32 1.369 -5.778 -5.778 245 HG LEU 32 HG LEU 32 0.071 -7.768 -7.768 246 1HD1 LEU 32 HD12 LEU 32 2.880 -7.118 -7.118 247 2HD1 LEU 32 HD11 LEU 32 1.626 -7.782 -7.782 248 3HD1 LEU 32 HD13 LEU 32 2.233 -8.720 -8.720 249 1HD2 LEU 32 HD22 LEU 32 1.251 -5.045 -5.045 250 2HD2 LEU 32 HD21 LEU 32 -0.391 -5.408 -5.408 251 3HD2 LEU 32 HD23 LEU 32 0.179 -5.938 -5.938 252 H GLU 33 HN GLU 33 -0.306 -5.520 -5.520 253 HA GLU 33 HA GLU 33 -3.007 -6.369 -6.369 254 1HB GLU 33 HB2 GLU 33 -3.718 -4.229 -4.229 255 2HB GLU 33 HB1 GLU 33 -2.525 -4.932 -4.932 256 1HG GLU 33 HG2 GLU 33 -0.768 -3.584 -3.584 257 2HG GLU 33 HG1 GLU 33 -2.137 -2.692 -2.692 258 H GLY 34 HN GLY 34 -0.583 -4.244 -4.244 259 1HA GLY 34 HA2 GLY 34 -2.070 -4.383 -4.383 260 2HA GLY 34 HA1 GLY 34 -2.115 -2.780 -2.780 261 H GLY 35 HN GLY 35 0.526 -2.724 -2.724 262 1HA GLY 35 HA2 GLY 35 2.306 -3.270 -3.270 263 2HA GLY 35 HA1 GLY 35 2.102 -1.575 -1.575 264 H ARG 36 HN ARG 36 2.212 -4.255 -4.255 265 HA ARG 36 HA ARG 36 4.925 -3.399 -3.399 266 1HB ARG 36 HB2 ARG 36 2.906 -4.088 -4.088 267 2HB ARG 36 HB1 ARG 36 4.291 -3.004 -3.004 268 1HG ARG 36 HG2 ARG 36 3.004 -1.499 -1.499 269 2HG ARG 36 HG1 ARG 36 1.605 -2.507 -2.507 270 1HD ARG 36 HD2 ARG 36 1.967 -2.032 -2.032 271 2HD ARG 36 HD1 ARG 36 3.207 -0.865 -0.865 272 HE ARG 36 HE ARG 36 1.034 -0.044 -0.044 273 1HH1 ARG 36 HH21 ARG 36 1.687 -0.797 -0.797 274 2HH1 ARG 36 HH22 ARG 36 0.512 0.317 0.317 275 1HH2 ARG 36 HH11 ARG 36 -0.527 1.373 1.373 276 2HH2 ARG 36 HH12 ARG 36 -0.766 1.531 1.531 277 H LYS 37 HN LYS 37 5.823 -5.108 -5.108 278 HA LYS 37 HA LYS 37 4.947 -7.819 -7.819 279 1HB LYS 37 HB2 LYS 37 7.397 -8.454 -8.454 280 2HB LYS 37 HB1 LYS 37 7.131 -7.509 -7.509 281 1HG LYS 37 HG2 LYS 37 8.936 -6.416 -6.416 282 2HG LYS 37 HG1 LYS 37 7.595 -5.436 -5.436 283 1HD LYS 37 HD2 LYS 37 7.594 -6.850 -6.850 284 2HD LYS 37 HD1 LYS 37 9.007 -7.689 -7.689 285 1HE LYS 37 HE2 LYS 37 8.723 -4.796 -4.796 286 2HE LYS 37 HE1 LYS 37 9.834 -6.005 -6.005 287 1HZ LYS 37 HZ3 LYS 37 10.967 -6.061 -6.061 288 2HZ LYS 37 HZ2 LYS 37 9.909 -4.893 -4.893 289 3HZ LYS 37 HZ1 LYS 37 10.964 -4.497 -4.497 290 HA PRO 38 HA PRO 38 4.316 -8.700 -8.700 291 1HB PRO 38 HB2 PRO 38 4.722 -11.460 -11.460 292 2HB PRO 38 HB1 PRO 38 3.274 -10.667 -10.667 293 1HG PRO 38 HG2 PRO 38 5.399 -12.043 -12.043 294 2HG PRO 38 HG1 PRO 38 3.777 -11.572 -11.572 295 1HD PRO 38 HD2 PRO 38 6.276 -10.275 -10.275 296 2HD PRO 38 HD1 PRO 38 4.654 -9.808 -9.808 297 H LEU 39 HN LEU 39 7.381 -8.159 -8.159 298 HA LEU 39 HA LEU 39 8.388 -9.870 -9.870 299 1HB LEU 39 HB2 LEU 39 9.480 -9.765 -9.765 300 2HB LEU 39 HB1 LEU 39 10.177 -8.264 -8.264 301 HG LEU 39 HG LEU 39 11.739 -9.335 -9.335 302 1HD1 LEU 39 HD11 LEU 39 10.217 -10.054 -10.054 303 2HD1 LEU 39 HD13 LEU 39 9.843 -11.515 -11.515 304 3HD1 LEU 39 HD12 LEU 39 11.470 -11.246 -11.246 305 1HD2 LEU 39 HD23 LEU 39 11.535 -10.656 -10.656 306 2HD2 LEU 39 HD22 LEU 39 12.566 -11.276 -11.276 307 3HD2 LEU 39 HD21 LEU 39 10.959 -11.954 -11.954 308 H HIS 40 HN HIS 40 7.939 -6.558 -6.558 309 HA HIS 40 HA HIS 40 9.643 -5.319 -5.319 310 1HB HIS 40 HB2 HIS 40 8.817 -3.972 -3.972 311 2HB HIS 40 HB1 HIS 40 7.148 -4.374 -4.374 312 HD1 HIS 40 HD1 HIS 40 9.905 -3.122 -3.122 313 HD2 HIS 40 HD2 HIS 40 6.121 -1.989 -1.989 314 HE1 HIS 40 HE1 HIS 40 9.320 -0.988 -0.988 315 H TYR 41 HN TYR 41 6.203 -6.260 -6.260 316 HA TYR 41 HA TYR 41 5.862 -5.210 -5.210 317 1HB TYR 41 HB2 TYR 41 4.260 -7.490 -7.490 318 2HB TYR 41 HB1 TYR 41 3.740 -6.235 -6.235 319 HD1 TYR 41 HD1 TYR 41 4.823 -6.933 -6.933 320 HD2 TYR 41 HD2 TYR 41 2.976 -4.103 -4.103 321 HE1 TYR 41 HE1 TYR 41 4.184 -5.495 -5.495 322 HE2 TYR 41 HE2 TYR 41 2.357 -2.672 -2.672 323 HH TYR 41 HH TYR 41 3.534 -2.540 -2.540 324 H ALA 42 HN ALA 42 6.670 -8.378 -8.378 325 HA ALA 42 HA ALA 42 6.748 -9.762 -9.762 326 1HB ALA 42 HB1 ALA 42 7.085 -10.438 -10.438 327 2HB ALA 42 HB3 ALA 42 8.695 -10.684 -10.684 328 3HB ALA 42 HB2 ALA 42 7.327 -11.539 -11.539 329 H ALA 43 HN ALA 43 9.373 -8.638 -8.638 330 HA ALA 43 HA ALA 43 11.508 -8.774 -8.774 331 1HB ALA 43 HB3 ALA 43 11.647 -8.116 -8.116 332 2HB ALA 43 HB2 ALA 43 10.930 -6.557 -6.557 333 3HB ALA 43 HB1 ALA 43 12.516 -6.985 -6.985 334 H ASP 44 HN ASP 44 9.555 -5.811 -5.811 335 HA ASP 44 HA ASP 44 10.570 -4.297 -4.297 336 1HB ASP 44 HB2 ASP 44 9.197 -3.394 -3.394 337 2HB ASP 44 HB1 ASP 44 7.762 -4.166 -4.166 338 H CYS 45 HN CYS 45 7.813 -6.553 -6.553 339 HA CYS 45 HA CYS 45 8.068 -6.784 -6.784 340 1HB CYS 45 HB2 CYS 45 5.460 -5.891 -5.891 341 2HB CYS 45 HB1 CYS 45 5.777 -6.162 -6.162 342 HG CYS 45 HG CYS 45 7.111 -3.995 -3.995 343 H GLY 46 HN GLY 46 8.656 -8.865 -8.865 344 1HA GLY 46 HA2 GLY 46 6.173 -10.508 -10.508 345 2HA GLY 46 HA1 GLY 46 7.748 -10.837 -10.837 346 H GLN 47 HN GLN 47 7.588 -9.931 -9.931 347 HA GLN 47 HA GLN 47 8.327 -11.172 -11.172 348 1HB GLN 47 HB2 GLN 47 6.728 -13.236 -13.236 349 2HB GLN 47 HB1 GLN 47 7.441 -13.559 -13.559 350 1HG GLN 47 HG2 GLN 47 5.043 -12.786 -12.786 351 2HG GLN 47 HG1 GLN 47 6.153 -11.750 -11.750 352 1HE2 GLN 47 HE21 GLN 47 5.626 -9.611 -9.611 353 2HE2 GLN 47 HE22 GLN 47 5.073 -8.931 -8.931 354 H LEU 48 HN LEU 48 9.586 -11.167 -11.167 355 HA LEU 48 HA LEU 48 11.516 -11.875 -11.875 356 1HB LEU 48 HB2 LEU 48 12.051 -12.608 -12.608 357 2HB LEU 48 HB1 LEU 48 13.240 -12.832 -12.832 358 HG LEU 48 HG LEU 48 13.895 -10.691 -10.691 359 1HD1 LEU 48 HD12 LEU 48 11.092 -9.877 -9.877 360 2HD1 LEU 48 HD11 LEU 48 12.416 -8.760 -8.760 361 3HD1 LEU 48 HD13 LEU 48 12.498 -9.967 -9.967 362 1HD2 LEU 48 HD23 LEU 48 11.557 -10.517 -10.517 363 2HD2 LEU 48 HD22 LEU 48 13.252 -10.745 -10.745 364 3HD2 LEU 48 HD21 LEU 48 12.695 -9.192 -9.192 365 H GLU 49 HN GLU 49 9.262 -13.918 -13.918 366 HA GLU 49 HA GLU 49 10.757 -16.363 -16.363 367 1HB GLU 49 HB2 GLU 49 8.382 -17.359 -17.359 368 2HB GLU 49 HB1 GLU 49 9.452 -16.940 -16.940 369 1HG GLU 49 HG2 GLU 49 8.379 -14.798 -14.798 370 2HG GLU 49 HG1 GLU 49 7.335 -15.075 -15.075 371 H ILE 50 HN ILE 50 8.086 -14.212 -14.212 372 HA ILE 50 HA ILE 50 7.059 -15.674 -15.674 373 HB ILE 50 HB ILE 50 7.046 -12.707 -12.707 374 1HG1 ILE 50 HG12 ILE 50 5.767 -14.841 -14.841 375 2HG1 ILE 50 HG11 ILE 50 5.847 -13.134 -13.134 376 1HG2 ILE 50 HG21 ILE 50 6.420 -13.669 -13.669 377 2HG2 ILE 50 HG23 ILE 50 5.023 -14.382 -14.382 378 3HG2 ILE 50 HG22 ILE 50 5.241 -12.642 -12.642 379 1HD1 ILE 50 HD13 ILE 50 3.803 -14.145 -14.145 380 2HD1 ILE 50 HD12 ILE 50 3.519 -14.301 -14.301 381 3HD1 ILE 50 HD11 ILE 50 3.751 -12.716 -12.716 382 H LEU 51 HN LEU 51 9.613 -13.226 -13.226 383 HA LEU 51 HA LEU 51 9.796 -13.076 -13.076 384 1HB LEU 51 HB2 LEU 51 12.402 -12.590 -12.590 385 2HB LEU 51 HB1 LEU 51 11.133 -11.375 -11.375 386 HG LEU 51 HG LEU 51 12.365 -11.183 -11.183 387 1HD1 LEU 51 HD11 LEU 51 9.603 -11.334 -11.334 388 2HD1 LEU 51 HD13 LEU 51 10.005 -12.254 -12.254 389 3HD1 LEU 51 HD12 LEU 51 10.541 -10.585 -10.585 390 1HD2 LEU 51 HD22 LEU 51 12.915 -13.732 -13.732 391 2HD2 LEU 51 HD21 LEU 51 12.814 -12.923 -12.923 392 3HD2 LEU 51 HD23 LEU 51 11.456 -13.883 -13.883 393 H GLU 52 HN GLU 52 11.723 -15.062 -15.062 394 HA GLU 52 HA GLU 52 13.167 -16.516 -16.516 395 1HB GLU 52 HB2 GLU 52 11.985 -17.951 -17.951 396 2HB GLU 52 HB1 GLU 52 13.550 -18.172 -18.172 397 1HG GLU 52 HG2 GLU 52 14.246 -15.947 -15.947 398 2HG GLU 52 HG1 GLU 52 12.710 -15.789 -15.789 399 H PHE 53 HN PHE 53 9.821 -16.979 -16.979 400 HA PHE 53 HA PHE 53 9.302 -19.481 -19.481 401 1HB PHE 53 HB2 PHE 53 7.701 -18.670 -18.670 402 2HB PHE 53 HB1 PHE 53 7.575 -17.145 -17.145 403 HD1 PHE 53 HD1 PHE 53 6.770 -20.760 -20.760 404 HD2 PHE 53 HD2 PHE 53 6.015 -16.790 -16.790 405 HE1 PHE 53 HE1 PHE 53 4.802 -21.554 -21.554 406 HE2 PHE 53 HE2 PHE 53 4.122 -17.573 -17.573 407 HZ PHE 53 HZ PHE 53 3.492 -19.911 -19.911 408 H LEU 54 HN LEU 54 7.702 -16.681 -16.681 409 HA LEU 54 HA LEU 54 7.519 -18.017 -18.017 410 1HB LEU 54 HB2 LEU 54 7.157 -15.619 -15.619 411 2HB LEU 54 HB1 LEU 54 5.979 -16.316 -16.316 412 HG LEU 54 HG LEU 54 6.526 -14.901 -14.901 413 1HD1 LEU 54 HD13 LEU 54 9.160 -14.460 -14.460 414 2HD1 LEU 54 HD12 LEU 54 8.573 -13.452 -13.452 415 3HD1 LEU 54 HD11 LEU 54 8.869 -15.146 -15.146 416 1HD2 LEU 54 HD23 LEU 54 7.080 -13.332 -13.332 417 2HD2 LEU 54 HD22 LEU 54 5.491 -13.656 -13.656 418 3HD2 LEU 54 HD21 LEU 54 6.640 -12.641 -12.641 419 H LEU 55 HN LEU 55 10.253 -16.501 -16.501 420 HA LEU 55 HA LEU 55 11.578 -15.930 -15.930 421 1HB LEU 55 HB2 LEU 55 11.982 -14.800 -14.800 422 2HB LEU 55 HB1 LEU 55 13.004 -16.197 -16.197 423 HG LEU 55 HG LEU 55 13.290 -14.370 -14.370 424 1HD1 LEU 55 HD11 LEU 55 14.548 -14.332 -14.332 425 2HD1 LEU 55 HD13 LEU 55 15.461 -13.756 -13.756 426 3HD1 LEU 55 HD12 LEU 55 13.942 -12.983 -12.983 427 1HD2 LEU 55 HD21 LEU 55 14.672 -16.870 -16.870 428 2HD2 LEU 55 HD23 LEU 55 14.406 -16.230 -16.230 429 3HD2 LEU 55 HD22 LEU 55 15.696 -15.588 -15.588 430 H LEU 56 HN LEU 56 11.686 -18.503 -18.503 431 HA LEU 56 HA LEU 56 13.861 -19.849 -19.849 432 1HB LEU 56 HB2 LEU 56 13.574 -21.619 -21.619 433 2HB LEU 56 HB1 LEU 56 13.052 -20.178 -20.178 434 HG LEU 56 HG LEU 56 10.655 -20.899 -20.899 435 1HD1 LEU 56 HD12 LEU 56 12.234 -23.485 -23.485 436 2HD1 LEU 56 HD11 LEU 56 10.468 -23.419 -23.419 437 3HD1 LEU 56 HD13 LEU 56 11.410 -22.907 -22.907 438 1HD2 LEU 56 HD21 LEU 56 11.322 -20.578 -20.578 439 2HD2 LEU 56 HD23 LEU 56 10.099 -21.827 -21.827 440 3HD2 LEU 56 HD22 LEU 56 11.778 -22.291 -22.291 441 H LYS 57 HN LYS 57 10.410 -20.003 -20.003 442 HA LYS 57 HA LYS 57 10.530 -22.287 -22.287 443 1HB LYS 57 HB2 LYS 57 8.568 -20.125 -20.125 444 2HB LYS 57 HB1 LYS 57 8.436 -20.790 -20.790 445 1HG LYS 57 HG2 LYS 57 6.977 -22.107 -22.107 446 2HG LYS 57 HG1 LYS 57 8.407 -23.101 -23.101 447 1HD LYS 57 HD2 LYS 57 9.227 -22.176 -22.176 448 2HD LYS 57 HD1 LYS 57 7.657 -21.397 -21.397 449 1HE LYS 57 HE2 LYS 57 6.587 -23.650 -23.650 450 2HE LYS 57 HE1 LYS 57 8.199 -24.367 -24.367 451 1HZ LYS 57 HZ2 LYS 57 7.613 -22.513 -22.513 452 2HZ LYS 57 HZ1 LYS 57 6.819 -23.998 -23.998 453 3HZ LYS 57 HZ3 LYS 57 8.501 -23.952 -23.952 454 H GLY 58 HN GLY 58 9.463 -19.371 -19.371 455 1HA GLY 58 HA2 GLY 58 11.561 -19.673 -19.673 456 2HA GLY 58 HA1 GLY 58 10.310 -18.458 -18.458 457 H ALA 59 HN ALA 59 11.110 -16.378 -16.378 458 HA ALA 59 HA ALA 59 12.602 -15.727 -15.727 459 1HB ALA 59 HB1 ALA 59 14.317 -16.417 -16.417 460 2HB ALA 59 HB3 ALA 59 14.833 -15.230 -15.230 461 3HB ALA 59 HB2 ALA 59 14.514 -16.873 -16.873 462 H ASP 60 HN ASP 60 11.216 -14.019 -14.019 463 HA ASP 60 HA ASP 60 11.332 -12.058 -12.058 464 1HB ASP 60 HB2 ASP 60 9.241 -12.247 -12.247 465 2HB ASP 60 HB1 ASP 60 10.092 -11.903 -11.903 466 H ILE 61 HN ILE 61 13.373 -13.017 -13.017 467 HA ILE 61 HA ILE 61 14.418 -10.882 -10.882 468 HB ILE 61 HB ILE 61 15.139 -13.348 -13.348 469 1HG1 ILE 61 HG12 ILE 61 17.130 -11.066 -11.066 470 2HG1 ILE 61 HG11 ILE 61 16.331 -11.815 -11.815 471 1HG2 ILE 61 HG23 ILE 61 15.572 -13.071 -13.071 472 2HG2 ILE 61 HG22 ILE 61 17.134 -12.426 -12.426 473 3HG2 ILE 61 HG21 ILE 61 16.679 -14.081 -14.081 474 1HD1 ILE 61 HD13 ILE 61 17.543 -13.996 -13.996 475 2HD1 ILE 61 HD12 ILE 61 18.680 -12.739 -12.739 476 3HD1 ILE 61 HD11 ILE 61 18.287 -12.962 -12.962 477 H ASN 62 HN ASN 62 14.763 -11.535 -11.535 478 HA ASN 62 HA ASN 62 16.369 -9.043 -9.043 479 1HB ASN 62 HB2 ASN 62 17.486 -10.240 -10.240 480 2HB ASN 62 HB1 ASN 62 17.898 -10.873 -10.873 481 1HD2 ASN 62 HD21 ASN 62 14.777 -11.888 -11.888 482 2HD2 ASN 62 HD22 ASN 62 15.032 -13.378 -13.378 483 H ALA 63 HN ALA 63 13.989 -11.234 -11.234 484 HA ALA 63 HA ALA 63 13.234 -10.559 -10.559 485 1HB ALA 63 HB1 ALA 63 11.699 -11.733 -11.733 486 2HB ALA 63 HB3 ALA 63 11.216 -10.193 -10.193 487 3HB ALA 63 HB2 ALA 63 10.870 -10.524 -10.524 488 HA PRO 64 HA PRO 64 11.326 -6.019 -6.019 489 1HB PRO 64 HB2 PRO 64 14.196 -5.583 -5.583 490 2HB PRO 64 HB1 PRO 64 12.726 -4.844 -4.844 491 1HG PRO 64 HG2 PRO 64 14.061 -7.153 -7.153 492 2HG PRO 64 HG1 PRO 64 12.461 -6.536 -6.536 493 1HD PRO 64 HD2 PRO 64 12.873 -8.996 -8.996 494 2HD PRO 64 HD1 PRO 64 11.339 -8.149 -8.149 495 H ASP 65 HN ASP 65 11.058 -4.670 -4.670 496 HA ASP 65 HA ASP 65 13.218 -4.220 -4.220 497 1HB ASP 65 HB2 ASP 65 10.447 -5.233 -5.233 498 2HB ASP 65 HB1 ASP 65 11.384 -4.322 -4.322 499 H LYS 66 HN LYS 66 9.979 -3.438 -3.438 500 HA LYS 66 HA LYS 66 10.109 -0.716 -0.716 501 1HB LYS 66 HB2 LYS 66 8.062 -2.302 -2.302 502 2HB LYS 66 HB1 LYS 66 8.030 -1.855 -1.855 503 1HG LYS 66 HG2 LYS 66 6.745 -0.138 -0.138 504 2HG LYS 66 HG1 LYS 66 8.268 0.606 0.606 505 1HD LYS 66 HD2 LYS 66 8.024 -0.521 -0.521 506 2HD LYS 66 HD1 LYS 66 6.377 -0.932 -0.932 507 1HE LYS 66 HE2 LYS 66 6.026 1.549 1.549 508 2HE LYS 66 HE1 LYS 66 7.578 1.836 1.836 509 1HZ LYS 66 HZ3 LYS 66 6.063 0.164 0.164 510 2HZ LYS 66 HZ2 LYS 66 5.079 1.477 1.477 511 3HZ LYS 66 HZ1 LYS 66 6.570 1.756 1.756 512 H HIS 67 HN HIS 67 10.678 -2.444 -2.444 513 HA HIS 67 HA HIS 67 10.644 -0.032 -0.032 514 1HB HIS 67 HB2 HIS 67 11.185 -2.960 -2.960 515 2HB HIS 67 HB1 HIS 67 11.693 -1.800 -1.800 516 HD1 HIS 67 HD1 HIS 67 9.078 -3.954 -3.954 517 HD2 HIS 67 HD2 HIS 67 9.106 0.204 0.204 518 HE1 HIS 67 HE1 HIS 67 6.844 -3.259 -3.259 519 H HIS 68 HN HIS 68 12.765 -1.325 -1.325 520 HA HIS 68 HA HIS 68 15.127 -1.165 -1.165 521 1HB HIS 68 HB2 HIS 68 15.927 1.157 1.157 522 2HB HIS 68 HB1 HIS 68 14.390 1.109 1.109 523 HD1 HIS 68 HD1 HIS 68 12.405 2.228 2.228 524 HD2 HIS 68 HD2 HIS 68 15.694 1.891 1.891 525 HE1 HIS 68 HE1 HIS 68 11.847 3.563 3.563 526 H ILE 69 HN ILE 69 14.131 -2.196 -2.196 527 HA ILE 69 HA ILE 69 16.679 -2.087 -2.087 528 HB ILE 69 HB ILE 69 14.755 -0.236 -0.236 529 1HG1 ILE 69 HG12 ILE 69 17.122 -0.122 -0.122 530 2HG1 ILE 69 HG11 ILE 69 16.182 0.106 0.106 531 1HG2 ILE 69 HG23 ILE 69 13.414 -2.196 -2.196 532 2HG2 ILE 69 HG22 ILE 69 14.732 -2.345 -2.345 533 3HG2 ILE 69 HG21 ILE 69 13.809 -0.865 -0.865 534 1HD1 ILE 69 HD13 ILE 69 16.476 -2.426 -2.426 535 2HD1 ILE 69 HD12 ILE 69 17.839 -2.238 -2.238 536 3HD1 ILE 69 HD11 ILE 69 17.754 -1.338 -1.338 537 H THR 70 HN THR 70 16.751 -3.567 -3.567 538 HA THR 70 HA THR 70 14.930 -5.847 -5.847 539 HB THR 70 HB THR 70 17.030 -6.678 -6.678 540 HG1 THR 70 HG1 THR 70 16.864 -8.113 -8.113 541 1HG2 THR 70 HG21 THR 70 18.050 -4.724 -4.724 542 2HG2 THR 70 HG23 THR 70 19.077 -5.878 -5.878 543 3HG2 THR 70 HG22 THR 70 18.227 -4.641 -4.641 544 HA PRO 71 HA PRO 71 13.646 -5.213 -5.213 545 1HB PRO 71 HB2 PRO 71 13.717 -8.065 -8.065 546 2HB PRO 71 HB1 PRO 71 12.324 -7.042 -7.042 547 1HG PRO 71 HG2 PRO 71 13.093 -9.015 -9.015 548 2HG PRO 71 HG1 PRO 71 12.416 -7.477 -7.477 549 1HD PRO 71 HD2 PRO 71 15.271 -8.287 -8.287 550 2HD PRO 71 HD1 PRO 71 14.358 -7.533 -7.533 551 H LEU 72 HN LEU 72 16.751 -6.860 -6.860 552 HA LEU 72 HA LEU 72 17.069 -7.023 -7.023 553 1HB LEU 72 HB2 LEU 72 19.525 -6.004 -6.004 554 2HB LEU 72 HB1 LEU 72 19.279 -7.441 -7.441 555 HG LEU 72 HG LEU 72 19.933 -8.224 -8.224 556 1HD1 LEU 72 HD12 LEU 72 17.025 -8.605 -8.605 557 2HD1 LEU 72 HD11 LEU 72 17.573 -9.009 -9.009 558 3HD1 LEU 72 HD13 LEU 72 18.305 -9.759 -9.759 559 1HD2 LEU 72 HD22 LEU 72 18.051 -6.218 -6.218 560 2HD2 LEU 72 HD21 LEU 72 19.820 -6.241 -6.241 561 3HD2 LEU 72 HD23 LEU 72 18.910 -7.493 -7.493 562 H LEU 73 HN LEU 73 17.412 -4.211 -4.211 563 HA LEU 73 HA LEU 73 18.301 -2.506 -2.506 564 1HB LEU 73 HB2 LEU 73 17.029 -1.655 -1.655 565 2HB LEU 73 HB1 LEU 73 17.929 -0.654 -0.654 566 HG LEU 73 HG LEU 73 19.834 -2.423 -2.423 567 1HD1 LEU 73 HD12 LEU 73 17.873 -3.369 -3.369 568 2HD1 LEU 73 HD11 LEU 73 19.320 -2.846 -2.846 569 3HD1 LEU 73 HD13 LEU 73 19.434 -4.034 -4.034 570 1HD2 LEU 73 HD23 LEU 73 19.063 -0.160 -0.160 571 2HD2 LEU 73 HD22 LEU 73 20.288 -0.221 -0.221 572 3HD2 LEU 73 HD21 LEU 73 20.545 -1.077 -1.077 573 H SER 74 HN SER 74 15.287 -3.673 -3.673 574 HA SER 74 HA SER 74 13.599 -1.635 -1.635 575 1HB SER 74 HB2 SER 74 12.703 -3.464 -3.464 576 2HB SER 74 HB1 SER 74 13.015 -4.612 -4.612 577 HG SER 74 HG SER 74 11.670 -2.864 -2.864 578 H ALA 75 HN ALA 75 14.797 -4.589 -4.589 579 HA ALA 75 HA ALA 75 13.652 -3.993 -3.993 580 1HB ALA 75 HB3 ALA 75 15.767 -5.912 -5.912 581 2HB ALA 75 HB2 ALA 75 15.331 -5.770 -5.770 582 3HB ALA 75 HB1 ALA 75 14.129 -6.270 -6.270 583 H VAL 76 HN VAL 76 16.647 -3.099 -3.099 584 HA VAL 76 HA VAL 76 18.247 -2.505 -2.505 585 HB VAL 76 HB VAL 76 17.932 -1.091 -1.091 586 1HG1 VAL 76 HG13 VAL 76 19.694 -0.364 -0.364 587 2HG1 VAL 76 HG12 VAL 76 20.260 -0.106 -0.106 588 3HG1 VAL 76 HG11 VAL 76 18.791 0.693 0.693 589 1HG2 VAL 76 HG23 VAL 76 18.862 -3.349 -3.349 590 2HG2 VAL 76 HG22 VAL 76 20.014 -2.159 -2.159 591 3HG2 VAL 76 HG21 VAL 76 20.139 -2.745 -2.745 592 H TYR 77 HN TYR 77 16.348 0.009 0.009 593 HA TYR 77 HA TYR 77 16.352 1.661 1.661 594 1HB TYR 77 HB2 TYR 77 14.189 2.074 2.074 595 2HB TYR 77 HB1 TYR 77 15.338 3.252 3.252 596 HD1 TYR 77 HD2 TYR 77 17.611 3.410 3.410 597 HD2 TYR 77 HD1 TYR 77 14.703 0.806 0.806 598 HE1 TYR 77 HE2 TYR 77 19.053 3.169 3.169 599 HE2 TYR 77 HE1 TYR 77 16.140 0.546 0.546 600 HH TYR 77 HH TYR 77 18.543 2.527 2.527 601 H GLU 78 HN GLU 78 15.519 -0.745 -0.745 602 HA GLU 78 HA GLU 78 12.643 -0.188 -0.188 603 1HB GLU 78 HB2 GLU 78 13.214 -2.152 -2.152 604 2HB GLU 78 HB1 GLU 78 13.646 -3.027 -3.027 605 1HG GLU 78 HG2 GLU 78 10.965 -1.948 -1.948 606 2HG GLU 78 HG1 GLU 78 11.376 -3.558 -3.558 607 H GLY 79 HN GLY 79 15.733 -1.638 -1.638 608 1HA GLY 79 HA2 GLY 79 16.710 -1.589 -1.589 609 2HA GLY 79 HA1 GLY 79 15.110 -1.273 -1.273 610 H HIS 80 HN HIS 80 14.479 -3.504 -3.504 611 HA HIS 80 HA HIS 80 14.400 -5.701 -5.701 612 1HB HIS 80 HB2 HIS 80 13.452 -5.250 -5.250 613 2HB HIS 80 HB1 HIS 80 13.735 -6.921 -6.921 614 HD1 HIS 80 HD1 HIS 80 11.303 -7.578 -7.578 615 HD2 HIS 80 HD2 HIS 80 12.148 -4.290 -4.290 616 HE1 HIS 80 HE1 HIS 80 9.375 -7.341 -7.341 617 H VAL 81 HN VAL 81 15.920 -5.311 -5.311 618 HA VAL 81 HA VAL 81 17.640 -6.678 -6.678 619 HB VAL 81 HB VAL 81 19.758 -5.974 -5.974 620 1HG1 VAL 81 HG12 VAL 81 18.064 -4.601 -4.601 621 2HG1 VAL 81 HG11 VAL 81 18.679 -3.419 -3.419 622 3HG1 VAL 81 HG13 VAL 81 19.798 -4.432 -4.432 623 1HG2 VAL 81 HG21 VAL 81 18.379 -5.460 -5.460 624 2HG2 VAL 81 HG23 VAL 81 19.296 -4.072 -4.072 625 3HG2 VAL 81 HG22 VAL 81 17.579 -4.164 -4.164 626 H SER 82 HN SER 82 16.008 -8.073 -8.073 627 HA SER 82 HA SER 82 17.955 -10.023 -10.023 628 1HB SER 82 HB2 SER 82 15.030 -9.413 -9.413 629 2HB SER 82 HB1 SER 82 15.476 -11.133 -11.133 630 HG SER 82 HG SER 82 16.630 -9.043 -9.043 631 H CYS 83 HN CYS 83 15.992 -9.129 -9.129 632 HA CYS 83 HA CYS 83 15.911 -11.720 -11.720 633 1HB CYS 83 HB2 CYS 83 15.120 -9.887 -9.887 634 2HB CYS 83 HB1 CYS 83 14.060 -10.566 -10.566 635 HG CYS 83 HG CYS 83 15.001 -7.691 -7.691 636 H VAL 84 HN VAL 84 17.366 -8.464 -8.464 637 HA VAL 84 HA VAL 84 18.934 -9.013 -9.013 638 HB VAL 84 HB VAL 84 20.613 -7.493 -7.493 639 1HG1 VAL 84 HG11 VAL 84 17.839 -6.755 -6.755 640 2HG1 VAL 84 HG13 VAL 84 19.164 -5.618 -5.618 641 3HG1 VAL 84 HG12 VAL 84 18.625 -6.421 -6.421 642 1HG2 VAL 84 HG23 VAL 84 19.400 -8.182 -8.182 643 2HG2 VAL 84 HG22 VAL 84 21.096 -8.211 -8.211 644 3HG2 VAL 84 HG21 VAL 84 20.270 -6.680 -6.680 645 H LYS 85 HN LYS 85 19.656 -9.988 -9.988 646 HA LYS 85 HA LYS 85 22.172 -11.188 -11.188 647 1HB LYS 85 HB2 LYS 85 20.003 -11.556 -11.556 648 2HB LYS 85 HB1 LYS 85 21.488 -12.494 -12.494 649 1HG LYS 85 HG2 LYS 85 22.667 -10.143 -10.143 650 2HG LYS 85 HG1 LYS 85 21.100 -9.522 -9.522 651 1HD LYS 85 HD2 LYS 85 22.137 -9.787 -9.787 652 2HD LYS 85 HD1 LYS 85 21.371 -11.369 -11.369 653 1HE LYS 85 HE2 LYS 85 23.584 -12.120 -12.120 654 2HE LYS 85 HE1 LYS 85 24.261 -10.609 -10.609 655 1HZ LYS 85 HZ1 LYS 85 23.545 -11.282 -11.282 656 2HZ LYS 85 HZ3 LYS 85 22.970 -12.749 -12.749 657 3HZ LYS 85 HZ2 LYS 85 24.639 -12.419 -12.419 658 H LEU 86 HN LEU 86 19.193 -13.049 -13.049 659 HA LEU 86 HA LEU 86 20.288 -15.425 -15.425 660 1HB LEU 86 HB2 LEU 86 18.493 -16.334 -16.334 661 2HB LEU 86 HB1 LEU 86 17.986 -14.715 -14.715 662 HG LEU 86 HG LEU 86 16.149 -15.785 -15.785 663 1HD1 LEU 86 HD11 LEU 86 17.134 -13.429 -13.429 664 2HD1 LEU 86 HD13 LEU 86 16.693 -14.353 -14.353 665 3HD1 LEU 86 HD12 LEU 86 15.502 -14.048 -14.048 666 1HD2 LEU 86 HD23 LEU 86 18.041 -17.187 -17.187 667 2HD2 LEU 86 HD22 LEU 86 16.313 -17.465 -17.465 668 3HD2 LEU 86 HD21 LEU 86 16.925 -16.381 -16.381 669 H LEU 87 HN LEU 87 19.410 -12.631 -12.631 670 HA LEU 87 HA LEU 87 18.207 -13.749 -13.749 671 1HB LEU 87 HB2 LEU 87 18.777 -11.170 -11.170 672 2HB LEU 87 HB1 LEU 87 19.463 -11.208 -11.208 673 HG LEU 87 HG LEU 87 16.620 -11.978 -11.978 674 1HD1 LEU 87 HD12 LEU 87 17.855 -9.424 -9.424 675 2HD1 LEU 87 HD11 LEU 87 16.146 -9.803 -9.803 676 3HD1 LEU 87 HD13 LEU 87 16.773 -9.630 -9.630 677 1HD2 LEU 87 HD22 LEU 87 18.178 -11.892 -11.892 678 2HD2 LEU 87 HD21 LEU 87 17.075 -13.127 -13.127 679 3HD2 LEU 87 HD23 LEU 87 16.441 -11.607 -11.607 680 H LEU 88 HN LEU 88 21.378 -12.068 -12.068 681 HA LEU 88 HA LEU 88 22.168 -13.027 -13.027 682 1HB LEU 88 HB2 LEU 88 24.407 -12.417 -12.417 683 2HB LEU 88 HB1 LEU 88 23.365 -11.260 -11.260 684 HG LEU 88 HG LEU 88 25.064 -11.769 -11.769 685 1HD1 LEU 88 HD13 LEU 88 22.688 -11.854 -11.854 686 2HD1 LEU 88 HD12 LEU 88 22.795 -13.594 -13.594 687 3HD1 LEU 88 HD11 LEU 88 23.853 -12.677 -12.677 688 1HD2 LEU 88 HD23 LEU 88 25.399 -14.174 -14.174 689 2HD2 LEU 88 HD22 LEU 88 26.130 -13.767 -13.767 690 3HD2 LEU 88 HD21 LEU 88 24.646 -14.705 -14.705 691 H SER 89 HN SER 89 21.692 -14.794 -14.794 692 HA SER 89 HA SER 89 23.614 -16.860 -16.860 693 1HB SER 89 HB2 SER 89 21.932 -16.531 -16.531 694 2HB SER 89 HB1 SER 89 20.744 -17.293 -17.293 695 HG SER 89 HG SER 89 21.647 -18.927 -18.927 696 H LYS 90 HN LYS 90 21.140 -15.760 -15.760 697 HA LYS 90 HA LYS 90 21.029 -18.300 -18.300 698 1HB LYS 90 HB2 LYS 90 19.188 -15.925 -15.925 699 2HB LYS 90 HB1 LYS 90 19.084 -16.985 -16.985 700 1HG LYS 90 HG2 LYS 90 18.801 -18.913 -18.913 701 2HG LYS 90 HG1 LYS 90 18.789 -17.826 -17.826 702 1HD LYS 90 HD2 LYS 90 16.880 -17.557 -17.557 703 2HD LYS 90 HD1 LYS 90 16.504 -18.555 -18.555 704 1HE LYS 90 HE2 LYS 90 16.843 -15.565 -15.565 705 2HE LYS 90 HE1 LYS 90 15.484 -16.480 -16.480 706 1HZ LYS 90 HZ2 LYS 90 17.204 -17.323 -17.323 707 2HZ LYS 90 HZ1 LYS 90 18.128 -15.983 -15.983 708 3HZ LYS 90 HZ3 LYS 90 16.588 -15.767 -15.767 709 H GLY 91 HN GLY 91 22.012 -15.012 -15.012 710 1HA GLY 91 HA2 GLY 91 23.924 -14.724 -14.724 711 2HA GLY 91 HA1 GLY 91 22.637 -15.047 -15.047 712 H ALA 92 HN ALA 92 21.006 -13.510 -13.510 713 HA ALA 92 HA ALA 92 20.275 -11.299 -11.299 714 1HB ALA 92 HB2 ALA 92 20.271 -11.957 -11.957 715 2HB ALA 92 HB1 ALA 92 20.689 -10.249 -10.249 716 3HB ALA 92 HB3 ALA 92 19.182 -10.856 -10.856 717 H ASP 93 HN ASP 93 23.506 -11.837 -11.837 718 HA ASP 93 HA ASP 93 25.378 -10.371 -10.371 719 1HB ASP 93 HB2 ASP 93 23.258 -9.088 -9.088 720 2HB ASP 93 HB1 ASP 93 24.946 -8.584 -8.584 721 H LYS 94 HN LYS 94 24.265 -7.405 -7.405 722 HA LYS 94 HA LYS 94 23.085 -6.622 -6.622 723 1HB LYS 94 HB2 LYS 94 25.303 -7.069 -7.069 724 2HB LYS 94 HB1 LYS 94 26.047 -6.048 -6.048 725 1HG LYS 94 HG2 LYS 94 25.848 -4.834 -4.834 726 2HG LYS 94 HG1 LYS 94 24.846 -4.099 -4.099 727 1HD LYS 94 HD2 LYS 94 23.488 -6.202 -6.202 728 2HD LYS 94 HD1 LYS 94 23.967 -4.767 -4.767 729 1HE LYS 94 HE2 LYS 94 22.738 -3.580 -3.580 730 2HE LYS 94 HE1 LYS 94 21.815 -5.077 -5.077 731 1HZ LYS 94 HZ2 LYS 94 22.247 -4.119 -4.119 732 2HZ LYS 94 HZ1 LYS 94 21.652 -2.834 -2.834 733 3HZ LYS 94 HZ3 LYS 94 20.760 -4.277 -4.277 734 H THR 95 HN THR 95 25.121 -5.600 -5.600 735 HA THR 95 HA THR 95 23.355 -3.169 -3.169 736 HB THR 95 HB THR 95 25.383 -2.164 -2.164 737 HG1 THR 95 HG1 THR 95 27.323 -3.344 -3.344 738 1HG2 THR 95 HG21 THR 95 25.596 -2.804 -2.804 739 2HG2 THR 95 HG23 THR 95 26.484 -1.518 -1.518 740 3HG2 THR 95 HG22 THR 95 24.707 -1.441 -1.441 741 H VAL 96 HN VAL 96 22.597 -5.568 -5.568 742 HA VAL 96 HA VAL 96 23.672 -5.828 -5.828 743 HB VAL 96 HB VAL 96 21.680 -7.202 -7.202 744 1HG1 VAL 96 HG11 VAL 96 21.288 -7.060 -7.060 745 2HG1 VAL 96 HG13 VAL 96 20.678 -8.393 -8.393 746 3HG1 VAL 96 HG12 VAL 96 20.101 -6.762 -6.762 747 1HG2 VAL 96 HG21 VAL 96 24.044 -7.956 -7.956 748 2HG2 VAL 96 HG23 VAL 96 22.758 -9.143 -9.143 749 3HG2 VAL 96 HG22 VAL 96 23.390 -8.350 -8.350 750 H LYS 97 HN LYS 97 21.237 -3.809 -3.809 751 HA LYS 97 HA LYS 97 20.759 -2.610 -2.610 752 1HB LYS 97 HB2 LYS 97 18.297 -2.858 -2.858 753 2HB LYS 97 HB1 LYS 97 19.179 -4.324 -4.324 754 1HG LYS 97 HG2 LYS 97 19.081 -5.044 -5.044 755 2HG LYS 97 HG1 LYS 97 18.352 -3.495 -3.495 756 1HD LYS 97 HD2 LYS 97 16.546 -5.085 -5.085 757 2HD LYS 97 HD1 LYS 97 16.425 -4.058 -4.058 758 1HE LYS 97 HE2 LYS 97 18.045 -6.192 -6.192 759 2HE LYS 97 HE1 LYS 97 16.837 -6.957 -6.957 760 1HZ LYS 97 HZ3 LYS 97 16.053 -4.947 -4.947 761 2HZ LYS 97 HZ2 LYS 97 16.315 -6.567 -6.567 762 3HZ LYS 97 HZ1 LYS 97 15.119 -6.171 -6.171 763 H GLY 98 HN GLY 98 21.126 -2.240 -2.240 764 1HA GLY 98 HA2 GLY 98 19.260 -0.068 -0.068 765 2HA GLY 98 HA1 GLY 98 20.711 -0.387 -0.387 766 HA PRO 99 HA PRO 99 21.094 3.363 3.363 767 1HB PRO 99 HB2 PRO 99 22.282 4.777 4.777 768 2HB PRO 99 HB1 PRO 99 20.801 5.146 5.146 769 1HG PRO 99 HG2 PRO 99 21.096 3.886 3.886 770 2HG PRO 99 HG1 PRO 99 19.613 4.469 4.469 771 1HD PRO 99 HD2 PRO 99 20.322 1.775 1.775 772 2HD PRO 99 HD1 PRO 99 19.055 2.336 2.336 773 H ASP 100 HN ASP 100 23.389 3.187 3.187 774 HA ASP 100 HA ASP 100 25.397 1.877 1.877 775 1HB ASP 100 HB2 ASP 100 25.552 4.405 4.405 776 2HB ASP 100 HB1 ASP 100 26.030 4.513 4.513 777 H GLY 101 HN GLY 101 27.260 3.203 3.203 778 1HA GLY 101 HA2 GLY 101 27.431 0.965 0.965 779 2HA GLY 101 HA1 GLY 101 28.145 2.530 2.530 780 H LEU 102 HN LEU 102 24.803 2.970 2.970 781 HA LEU 102 HA LEU 102 24.377 3.770 3.770 782 1HB LEU 102 HB2 LEU 102 22.812 4.241 4.241 783 2HB LEU 102 HB1 LEU 102 22.245 2.571 2.571 784 HG LEU 102 HG LEU 102 21.984 4.745 4.745 785 1HD1 LEU 102 HD12 LEU 102 20.006 3.322 3.322 786 2HD1 LEU 102 HD11 LEU 102 19.606 4.368 4.368 787 3HD1 LEU 102 HD13 LEU 102 20.444 5.036 5.036 788 1HD2 LEU 102 HD23 LEU 102 21.434 1.786 1.786 789 2HD2 LEU 102 HD22 LEU 102 22.253 2.821 2.821 790 3HD2 LEU 102 HD21 LEU 102 20.515 2.925 2.925 791 H THR 103 HN THR 103 23.010 0.784 0.784 792 HA THR 103 HA THR 103 22.262 -0.976 -0.976 793 HB THR 103 HB THR 103 24.104 -1.969 -1.969 794 HG1 THR 103 HG1 THR 103 25.246 -2.405 -2.405 795 1HG2 THR 103 HG21 THR 103 25.704 -0.029 -0.029 796 2HG2 THR 103 HG23 THR 103 26.459 -1.465 -1.465 797 3HG2 THR 103 HG22 THR 103 25.732 -0.265 -0.265 798 H ALA 104 HN ALA 104 24.802 -1.187 -1.187 799 HA ALA 104 HA ALA 104 23.231 -0.084 -0.084 800 1HB ALA 104 HB2 ALA 104 25.581 -1.824 -1.824 801 2HB ALA 104 HB1 ALA 104 25.382 -1.020 -1.020 802 3HB ALA 104 HB3 ALA 104 24.123 -2.090 -2.090 803 H LEU 105 HN LEU 105 26.216 0.740 0.740 804 HA LEU 105 HA LEU 105 27.471 2.376 2.376 805 1HB LEU 105 HB2 LEU 105 27.159 3.173 3.173 806 2HB LEU 105 HB1 LEU 105 28.519 3.469 3.469 807 HG LEU 105 HG LEU 105 27.630 0.839 0.839 808 1HD1 LEU 105 HD12 LEU 105 29.012 2.390 2.390 809 2HD1 LEU 105 HD11 LEU 105 30.249 2.361 2.361 810 3HD1 LEU 105 HD13 LEU 105 29.847 0.893 0.893 811 1HD2 LEU 105 HD22 LEU 105 29.598 1.481 1.481 812 2HD2 LEU 105 HD21 LEU 105 28.273 0.315 0.315 813 3HD2 LEU 105 HD23 LEU 105 29.708 0.003 0.003 814 H GLU 106 HN GLU 106 25.419 3.849 3.849 815 HA GLU 106 HA GLU 106 25.315 6.242 6.242 816 1HB GLU 106 HB2 GLU 106 23.695 5.628 5.628 817 2HB GLU 106 HB1 GLU 106 24.059 7.199 7.199 818 1HG GLU 106 HG2 GLU 106 26.175 5.245 5.245 819 2HG GLU 106 HG1 GLU 106 25.472 6.436 6.436 820 H ALA 107 HN ALA 107 23.596 3.428 3.428 821 HA ALA 107 HA ALA 107 20.924 4.500 4.500 822 1HB ALA 107 HB1 ALA 107 22.237 1.886 1.886 823 2HB ALA 107 HB3 ALA 107 20.539 2.215 2.215 824 3HB ALA 107 HB2 ALA 107 21.153 2.198 2.198 825 H THR 108 HN THR 108 23.538 3.538 3.538 826 HA THR 108 HA THR 108 22.193 5.259 5.259 827 HB THR 108 HB THR 108 20.994 3.128 3.128 828 HG1 THR 108 HG1 THR 108 20.966 3.198 3.198 829 1HG2 THR 108 HG21 THR 108 23.792 2.077 2.077 830 2HG2 THR 108 HG23 THR 108 22.647 1.263 1.263 831 3HG2 THR 108 HG22 THR 108 22.321 1.370 1.370 832 H ASP 109 HN ASP 109 23.248 3.861 3.861 833 HA ASP 109 HA ASP 109 26.187 3.848 3.848 834 1HB ASP 109 HB2 ASP 109 25.539 6.250 6.250 835 2HB ASP 109 HB1 ASP 109 24.729 5.694 5.694 836 H ASN 110 HN ASN 110 23.427 2.430 2.430 837 HA ASN 110 HA ASN 110 24.413 1.516 1.516 838 1HB ASN 110 HB2 ASN 110 22.436 -0.002 -0.002 839 2HB ASN 110 HB1 ASN 110 21.969 1.677 1.677 840 1HD2 ASN 110 HD21 ASN 110 22.767 -1.342 -1.342 841 2HD2 ASN 110 HD22 ASN 110 21.839 -1.047 -1.047 842 H GLN 111 HN GLN 111 25.574 -0.309 -0.309 843 HA GLN 111 HA GLN 111 26.897 -1.443 -1.443 844 1HB GLN 111 HB2 GLN 111 28.076 -1.131 -1.131 845 2HB GLN 111 HB1 GLN 111 26.884 -2.035 -2.035 846 1HG GLN 111 HG2 GLN 111 27.618 -4.106 -4.106 847 2HG GLN 111 HG1 GLN 111 28.413 -3.369 -3.369 848 1HE2 GLN 111 HE21 GLN 111 30.366 -1.802 -1.802 849 2HE2 GLN 111 HE22 GLN 111 31.296 -2.366 -2.366 850 H ALA 112 HN ALA 112 23.816 -2.194 -2.194 851 HA ALA 112 HA ALA 112 23.996 -5.112 -5.112 852 1HB ALA 112 HB3 ALA 112 22.141 -3.794 -3.794 853 2HB ALA 112 HB2 ALA 112 21.561 -3.372 -3.372 854 3HB ALA 112 HB1 ALA 112 21.598 -5.065 -5.065 855 H ILE 113 HN ILE 113 22.947 -2.456 -2.456 856 HA ILE 113 HA ILE 113 22.450 -3.958 -3.958 857 HB ILE 113 HB ILE 113 22.767 -1.054 -1.054 858 1HG1 ILE 113 HG12 ILE 113 20.341 -2.275 -2.275 859 2HG1 ILE 113 HG11 ILE 113 20.709 -2.711 -2.711 860 1HG2 ILE 113 HG22 ILE 113 22.464 -2.258 -2.258 861 2HG2 ILE 113 HG21 ILE 113 21.943 -0.612 -0.612 862 3HG2 ILE 113 HG23 ILE 113 23.637 -1.053 -1.053 863 1HD1 ILE 113 HD12 ILE 113 20.766 0.187 0.187 864 2HD1 ILE 113 HD11 ILE 113 19.194 -0.598 -0.598 865 3HD1 ILE 113 HD13 ILE 113 20.200 -0.642 -0.642 866 H LYS 114 HN LYS 114 24.934 -1.739 -1.739 867 HA LYS 114 HA LYS 114 26.540 -1.912 -1.912 868 1HB LYS 114 HB2 LYS 114 27.682 -1.740 -1.740 869 2HB LYS 114 HB1 LYS 114 28.289 -0.976 -0.976 870 1HG LYS 114 HG2 LYS 114 25.544 -0.140 -0.140 871 2HG LYS 114 HG1 LYS 114 26.753 0.275 0.275 872 1HD LYS 114 HD2 LYS 114 26.735 2.158 2.158 873 2HD LYS 114 HD1 LYS 114 28.047 1.259 1.259 874 1HE LYS 114 HE2 LYS 114 25.335 0.690 0.690 875 2HE LYS 114 HE1 LYS 114 25.982 2.304 2.304 876 1HZ LYS 114 HZ2 LYS 114 28.096 1.038 1.038 877 2HZ LYS 114 HZ1 LYS 114 27.067 -0.304 -0.304 878 3HZ LYS 114 HZ3 LYS 114 26.805 1.074 1.074 879 H ALA 115 HN ALA 115 25.738 -4.213 -4.213 880 HA ALA 115 HA ALA 115 28.032 -5.868 -5.868 881 1HB ALA 115 HB2 ALA 115 25.871 -6.048 -6.048 882 2HB ALA 115 HB1 ALA 115 25.261 -6.991 -6.991 883 3HB ALA 115 HB3 ALA 115 26.700 -7.523 -7.523 884 H LEU 116 HN LEU 116 25.197 -5.555 -5.555 885 HA LEU 116 HA LEU 116 26.039 -7.824 -7.824 886 1HB LEU 116 HB2 LEU 116 24.044 -5.668 -5.668 887 2HB LEU 116 HB1 LEU 116 24.707 -6.305 -6.305 888 HG LEU 116 HG LEU 116 23.099 -7.735 -7.735 889 1HD1 LEU 116 HD13 LEU 116 21.936 -6.558 -6.558 890 2HD1 LEU 116 HD12 LEU 116 22.895 -7.455 -7.455 891 3HD1 LEU 116 HD11 LEU 116 21.752 -8.314 -8.314 892 1HD2 LEU 116 HD21 LEU 116 25.050 -8.885 -8.885 893 2HD2 LEU 116 HD23 LEU 116 24.643 -9.462 -9.462 894 3HD2 LEU 116 HD22 LEU 116 23.527 -9.758 -9.758 895 H LEU 117 HN LEU 117 27.242 -4.608 -4.608 896 HA LEU 117 HA LEU 117 28.485 -4.826 -4.826 897 1HB LEU 117 HB2 LEU 117 28.951 -2.604 -2.604 898 2HB LEU 117 HB1 LEU 117 27.788 -2.729 -2.729 899 HG LEU 117 HG LEU 117 29.928 -3.331 -3.331 900 1HD1 LEU 117 HD11 LEU 117 31.199 -2.783 -2.783 901 2HD1 LEU 117 HD13 LEU 117 31.586 -1.439 -1.439 902 3HD1 LEU 117 HD12 LEU 117 31.955 -3.081 -3.081 903 1HD2 LEU 117 HD21 LEU 117 28.414 -1.280 -1.280 904 2HD2 LEU 117 HD23 LEU 117 30.031 -1.069 -1.069 905 3HD2 LEU 117 HD22 LEU 117 29.588 -0.472 -0.472 906 H GLN 118 HN GLN 118 28.918 -6.412 -6.412 907 HA GLN 118 HA GLN 118 31.721 -6.336 -6.336 908 1HB GLN 118 HB2 GLN 118 31.358 -8.313 -8.313 909 2HB GLN 118 HB1 GLN 118 29.870 -7.402 -7.402 910 1HG GLN 118 HG2 GLN 118 28.979 -9.485 -9.485 911 2HG GLN 118 HG1 GLN 118 29.137 -8.817 -8.817 912 1HE2 GLN 118 HE21 GLN 118 32.248 -9.207 -9.207 913 2HE2 GLN 118 HE22 GLN 118 32.508 -10.832 -10.832 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -9.271 -7.703 -7.703 2 2H MET 1 HT3 MET 1 -9.328 -8.450 -8.450 3 3H MET 1 HT2 MET 1 -10.218 -7.031 -7.031 4 HA MET 1 HA MET 1 -11.946 -8.157 -8.157 5 1HB MET 1 HB2 MET 1 -10.844 -9.758 -9.758 6 2HB MET 1 HB1 MET 1 -10.463 -10.753 -10.753 7 1HG MET 1 HG2 MET 1 -12.886 -10.674 -10.674 8 2HG MET 1 HG1 MET 1 -13.217 -9.822 -9.822 9 1HE MET 1 HE3 MET 1 -12.554 -10.491 -10.491 10 2HE MET 1 HE2 MET 1 -11.087 -11.466 -11.466 11 3HE MET 1 HE1 MET 1 -12.567 -12.143 -12.143 12 H CYS 2 HN CYS 2 -8.877 -9.225 -9.225 13 HA CYS 2 HA CYS 2 -9.995 -9.096 -9.096 14 1HB CYS 2 HB2 CYS 2 -9.374 -11.484 -11.484 15 2HB CYS 2 HB1 CYS 2 -10.764 -11.327 -11.327 16 HG CYS 2 HG CYS 2 -9.504 -12.541 -12.541 17 H ASP 3 HN ASP 3 -7.737 -8.065 -8.065 18 HA ASP 3 HA ASP 3 -5.229 -9.090 -9.090 19 1HB ASP 3 HB2 ASP 3 -6.134 -6.216 -6.216 20 2HB ASP 3 HB1 ASP 3 -4.439 -6.673 -6.673 21 H LYS 4 HN LYS 4 -7.469 -7.454 -7.454 22 HA LYS 4 HA LYS 4 -5.775 -6.568 -6.568 23 1HB LYS 4 HB2 LYS 4 -8.446 -7.935 -7.935 24 2HB LYS 4 HB1 LYS 4 -7.689 -6.717 -6.717 25 1HG LYS 4 HG2 LYS 4 -7.766 -5.154 -5.154 26 2HG LYS 4 HG1 LYS 4 -8.812 -6.347 -6.347 27 1HD LYS 4 HD2 LYS 4 -10.314 -6.202 -6.202 28 2HD LYS 4 HD1 LYS 4 -9.338 -4.835 -4.835 29 1HE LYS 4 HE2 LYS 4 -10.960 -5.032 -5.032 30 2HE LYS 4 HE1 LYS 4 -11.229 -3.935 -3.935 31 1HZ LYS 4 HZ1 LYS 4 -8.675 -3.418 -3.418 32 2HZ LYS 4 HZ3 LYS 4 -9.347 -3.748 -3.748 33 3HZ LYS 4 HZ2 LYS 4 -10.011 -2.524 -2.524 34 H GLU 5 HN GLU 5 -7.601 -9.634 -9.634 35 HA GLU 5 HA GLU 5 -6.115 -10.792 -10.792 36 1HB GLU 5 HB2 GLU 5 -7.651 -11.896 -11.896 37 2HB GLU 5 HB1 GLU 5 -6.626 -13.016 -13.016 38 1HG GLU 5 HG2 GLU 5 -7.750 -12.526 -12.526 39 2HG GLU 5 HG1 GLU 5 -8.623 -11.176 -11.176 40 H PHE 6 HN PHE 6 -5.121 -10.328 -10.328 41 HA PHE 6 HA PHE 6 -2.969 -12.232 -12.232 42 1HB PHE 6 HB2 PHE 6 -4.053 -10.840 -10.840 43 2HB PHE 6 HB1 PHE 6 -2.896 -9.603 -9.603 44 HD1 PHE 6 HD2 PHE 6 -0.861 -12.086 -12.086 45 HD2 PHE 6 HD1 PHE 6 -2.922 -10.800 -10.800 46 HE1 PHE 6 HE2 PHE 6 0.851 -13.188 -13.188 47 HE2 PHE 6 HE1 PHE 6 -1.199 -11.902 -11.902 48 HZ PHE 6 HZ PHE 6 0.689 -13.098 -13.098 49 H MET 7 HN MET 7 -2.434 -8.693 -8.693 50 HA MET 7 HA MET 7 0.132 -8.859 -8.859 51 1HB MET 7 HB2 MET 7 0.154 -6.545 -6.545 52 2HB MET 7 HB1 MET 7 -1.138 -6.869 -6.869 53 1HG MET 7 HG2 MET 7 -2.702 -6.734 -6.734 54 2HG MET 7 HG1 MET 7 -1.339 -5.907 -5.907 55 1HE MET 7 HE3 MET 7 -3.699 -6.303 -6.303 56 2HE MET 7 HE2 MET 7 -4.145 -4.698 -4.698 57 3HE MET 7 HE1 MET 7 -2.741 -5.502 -5.502 58 H TRP 8 HN TRP 8 -3.052 -8.576 -8.576 59 HA TRP 8 HA TRP 8 -2.366 -7.808 -7.808 60 1HB TRP 8 HB2 TRP 8 -4.675 -8.386 -8.386 61 2HB TRP 8 HB1 TRP 8 -4.279 -10.073 -10.073 62 HD1 TRP 8 HD1 TRP 8 -4.451 -10.901 -10.901 63 HE1 TRP 8 HE1 TRP 8 -5.077 -9.795 -9.795 64 HE3 TRP 8 HE3 TRP 8 -4.497 -5.992 -5.992 65 HZ2 TRP 8 HZ2 TRP 8 -5.536 -7.177 -7.177 66 HZ3 TRP 8 HZ3 TRP 8 -5.032 -4.216 -4.216 67 HH2 TRP 8 HH2 TRP 8 -5.551 -4.802 -4.802 68 H ALA 9 HN ALA 9 -1.579 -10.814 -10.814 69 HA ALA 9 HA ALA 9 -0.840 -12.094 -12.094 70 1HB ALA 9 HB2 ALA 9 -1.802 -13.437 -13.437 71 2HB ALA 9 HB1 ALA 9 -0.362 -13.073 -13.073 72 3HB ALA 9 HB3 ALA 9 -0.222 -14.024 -14.024 73 H LEU 10 HN LEU 10 0.917 -11.123 -11.123 74 HA LEU 10 HA LEU 10 3.530 -11.609 -11.609 75 1HB LEU 10 HB2 LEU 10 2.577 -9.391 -9.391 76 2HB LEU 10 HB1 LEU 10 4.257 -9.881 -9.881 77 HG LEU 10 HG LEU 10 3.116 -12.286 -12.286 78 1HD1 LEU 10 HD13 LEU 10 0.914 -11.043 -11.043 79 2HD1 LEU 10 HD12 LEU 10 1.691 -10.301 -10.301 80 3HD1 LEU 10 HD11 LEU 10 1.471 -12.048 -12.048 81 1HD2 LEU 10 HD23 LEU 10 4.311 -10.130 -10.130 82 2HD2 LEU 10 HD22 LEU 10 5.048 -11.626 -11.626 83 3HD2 LEU 10 HD21 LEU 10 3.829 -11.673 -11.673 84 H LYS 11 HN LYS 11 1.181 -9.511 -9.511 85 HA LYS 11 HA LYS 11 2.964 -7.410 -7.410 86 1HB LYS 11 HB2 LYS 11 0.871 -6.660 -6.660 87 2HB LYS 11 HB1 LYS 11 -0.014 -7.882 -7.882 88 1HG LYS 11 HG2 LYS 11 0.350 -6.768 -6.768 89 2HG LYS 11 HG1 LYS 11 1.654 -5.781 -5.781 90 1HD LYS 11 HD2 LYS 11 0.140 -4.497 -4.497 91 2HD LYS 11 HD1 LYS 11 -1.181 -5.630 -5.630 92 1HE LYS 11 HE2 LYS 11 -1.533 -3.716 -3.716 93 2HE LYS 11 HE1 LYS 11 -1.024 -5.060 -5.060 94 1HZ LYS 11 HZ1 LYS 11 0.836 -3.023 -3.023 95 2HZ LYS 11 HZ3 LYS 11 0.140 -2.928 -2.928 96 3HZ LYS 11 HZ2 LYS 11 1.180 -4.215 -4.215 97 H ASN 12 HN ASN 12 0.365 -9.214 -9.214 98 HA ASN 12 HA ASN 12 1.648 -8.816 -8.816 99 1HB ASN 12 HB2 ASN 12 -0.825 -8.827 -8.827 100 2HB ASN 12 HB1 ASN 12 -0.725 -10.562 -10.562 101 1HD2 ASN 12 HD21 ASN 12 -1.169 -11.773 -11.773 102 2HD2 ASN 12 HD22 ASN 12 -0.852 -11.290 -11.290 103 H GLY 13 HN GLY 13 2.663 -10.837 -10.837 104 1HA GLY 13 HA2 GLY 13 4.064 -12.712 -12.712 105 2HA GLY 13 HA1 GLY 13 3.833 -12.631 -12.631 106 H ASP 14 HN ASP 14 0.928 -12.746 -12.746 107 HA ASP 14 HA ASP 14 0.193 -15.276 -15.276 108 1HB ASP 14 HB2 ASP 14 -1.143 -14.146 -14.146 109 2HB ASP 14 HB1 ASP 14 -1.831 -15.061 -15.061 110 H LEU 15 HN LEU 15 2.542 -15.676 -15.676 111 HA LEU 15 HA LEU 15 3.062 -16.389 -16.389 112 1HB LEU 15 HB2 LEU 15 4.628 -16.594 -16.594 113 2HB LEU 15 HB1 LEU 15 3.728 -17.977 -17.977 114 HG LEU 15 HG LEU 15 5.849 -18.474 -18.474 115 1HD1 LEU 15 HD12 LEU 15 3.476 -19.857 -19.857 116 2HD1 LEU 15 HD11 LEU 15 3.783 -19.862 -19.862 117 3HD1 LEU 15 HD13 LEU 15 4.988 -20.501 -20.501 118 1HD2 LEU 15 HD21 LEU 15 5.196 -16.688 -16.688 119 2HD2 LEU 15 HD23 LEU 15 5.893 -18.202 -18.202 120 3HD2 LEU 15 HD22 LEU 15 4.154 -17.944 -17.944 121 H ASP 16 HN ASP 16 0.931 -18.051 -18.051 122 HA ASP 16 HA ASP 16 0.636 -20.482 -20.482 123 1HB ASP 16 HB2 ASP 16 -1.529 -19.161 -19.161 124 2HB ASP 16 HB1 ASP 16 -1.200 -20.882 -20.882 125 H GLU 17 HN GLU 17 -0.839 -17.301 -17.301 126 HA GLU 17 HA GLU 17 -2.920 -18.225 -18.225 127 1HB GLU 17 HB2 GLU 17 -1.928 -15.541 -15.541 128 2HB GLU 17 HB1 GLU 17 -3.009 -15.654 -15.654 129 1HG GLU 17 HG2 GLU 17 -4.652 -16.878 -16.878 130 2HG GLU 17 HG1 GLU 17 -3.576 -16.790 -16.790 131 H VAL 18 HN VAL 18 0.196 -16.484 -16.484 132 HA VAL 18 HA VAL 18 -0.067 -16.333 -16.333 133 HB VAL 18 HB VAL 18 2.673 -16.563 -16.563 134 1HG1 VAL 18 HG12 VAL 18 1.100 -14.647 -14.647 135 2HG1 VAL 18 HG11 VAL 18 1.385 -13.925 -13.925 136 3HG1 VAL 18 HG13 VAL 18 2.742 -14.300 -14.300 137 1HG2 VAL 18 HG23 VAL 18 1.950 -16.804 -16.804 138 2HG2 VAL 18 HG22 VAL 18 3.262 -15.708 -15.708 139 3HG2 VAL 18 HG21 VAL 18 1.651 -15.068 -15.068 140 H LYS 19 HN LYS 19 1.154 -18.737 -18.737 141 HA LYS 19 HA LYS 19 2.422 -20.549 -20.549 142 1HB LYS 19 HB2 LYS 19 2.414 -20.732 -20.732 143 2HB LYS 19 HB1 LYS 19 0.696 -21.094 -21.094 144 1HG LYS 19 HG2 LYS 19 1.675 -23.213 -23.213 145 2HG LYS 19 HG1 LYS 19 1.373 -23.086 -23.086 146 1HD LYS 19 HD2 LYS 19 3.584 -23.802 -23.802 147 2HD LYS 19 HD1 LYS 19 3.804 -22.063 -22.063 148 1HE LYS 19 HE2 LYS 19 5.280 -23.027 -23.027 149 2HE LYS 19 HE1 LYS 19 4.039 -22.065 -22.065 150 1HZ LYS 19 HZ1 LYS 19 2.969 -24.591 -24.591 151 2HZ LYS 19 HZ3 LYS 19 4.574 -24.850 -24.850 152 3HZ LYS 19 HZ2 LYS 19 3.553 -23.879 -23.879 153 H ASP 20 HN ASP 20 -1.003 -20.031 -20.031 154 HA ASP 20 HA ASP 20 -1.909 -22.374 -22.374 155 1HB ASP 20 HB2 ASP 20 -3.149 -20.828 -20.828 156 2HB ASP 20 HB1 ASP 20 -3.594 -19.902 -19.902 157 H TYR 21 HN TYR 21 -1.552 -18.955 -18.955 158 HA TYR 21 HA TYR 21 -2.766 -19.341 -19.341 159 1HB TYR 21 HB2 TYR 21 -0.453 -17.447 -17.447 160 2HB TYR 21 HB1 TYR 21 -1.910 -17.255 -17.255 161 HD1 TYR 21 HD1 TYR 21 -3.846 -18.245 -18.245 162 HD2 TYR 21 HD2 TYR 21 -0.662 -15.359 -15.359 163 HE1 TYR 21 HE1 TYR 21 -4.909 -16.999 -16.999 164 HE2 TYR 21 HE2 TYR 21 -1.726 -14.117 -14.117 165 HH TYR 21 HH TYR 21 -4.927 -14.866 -14.866 166 H VAL 22 HN VAL 22 0.779 -19.228 -19.228 167 HA VAL 22 HA VAL 22 1.407 -20.219 -20.219 168 HB VAL 22 HB VAL 22 2.982 -18.924 -18.924 169 1HG1 VAL 22 HG13 VAL 22 2.513 -20.283 -20.283 170 2HG1 VAL 22 HG12 VAL 22 3.395 -21.621 -21.621 171 3HG1 VAL 22 HG11 VAL 22 4.227 -20.113 -20.113 172 1HG2 VAL 22 HG22 VAL 22 3.889 -21.585 -21.585 173 2HG2 VAL 22 HG21 VAL 22 3.821 -20.043 -20.043 174 3HG2 VAL 22 HG23 VAL 22 4.981 -20.280 -20.280 175 H ALA 23 HN ALA 23 0.342 -21.835 -21.835 176 HA ALA 23 HA ALA 23 1.568 -24.368 -24.368 177 1HB ALA 23 HB2 ALA 23 -1.068 -23.469 -23.469 178 2HB ALA 23 HB1 ALA 23 -0.777 -25.191 -25.191 179 3HB ALA 23 HB3 ALA 23 0.280 -24.247 -24.247 180 H LYS 24 HN LYS 24 -0.916 -22.713 -22.713 181 HA LYS 24 HA LYS 24 -2.127 -24.866 -24.866 182 1HB LYS 24 HB2 LYS 24 -1.660 -21.973 -21.973 183 2HB LYS 24 HB1 LYS 24 -2.243 -23.013 -23.013 184 1HG LYS 24 HG2 LYS 24 -4.097 -21.928 -21.928 185 2HG LYS 24 HG1 LYS 24 -4.162 -23.689 -23.689 186 1HD LYS 24 HD2 LYS 24 -3.263 -23.743 -23.743 187 2HD LYS 24 HD1 LYS 24 -2.818 -22.039 -22.039 188 1HE LYS 24 HE2 LYS 24 -4.964 -22.628 -22.628 189 2HE LYS 24 HE1 LYS 24 -5.080 -21.329 -21.329 190 1HZ LYS 24 HZ2 LYS 24 -5.634 -24.112 -24.112 191 2HZ LYS 24 HZ1 LYS 24 -6.834 -23.194 -23.194 192 3HZ LYS 24 HZ3 LYS 24 -6.191 -22.669 -22.669 193 H GLY 25 HN GLY 25 0.120 -22.725 -22.725 194 1HA GLY 25 HA2 GLY 25 1.852 -24.980 -24.980 195 2HA GLY 25 HA1 GLY 25 0.862 -24.428 -24.428 196 H GLU 26 HN GLU 26 3.333 -23.436 -23.436 197 HA GLU 26 HA GLU 26 4.738 -21.518 -21.518 198 1HB GLU 26 HB2 GLU 26 6.168 -21.692 -21.692 199 2HB GLU 26 HB1 GLU 26 6.183 -23.025 -23.025 200 1HG GLU 26 HG2 GLU 26 4.532 -24.241 -24.241 201 2HG GLU 26 HG1 GLU 26 4.397 -22.884 -22.884 202 H ASP 27 HN ASP 27 3.847 -19.528 -19.528 203 HA ASP 27 HA ASP 27 3.621 -18.241 -18.241 204 1HB ASP 27 HB2 ASP 27 1.332 -18.395 -18.395 205 2HB ASP 27 HB1 ASP 27 1.408 -17.201 -17.201 206 H VAL 28 HN VAL 28 5.545 -18.021 -18.021 207 HA VAL 28 HA VAL 28 4.899 -15.581 -15.581 208 HB VAL 28 HB VAL 28 7.234 -15.921 -15.921 209 1HG1 VAL 28 HG12 VAL 28 5.323 -18.273 -18.273 210 2HG1 VAL 28 HG11 VAL 28 6.596 -17.926 -17.926 211 3HG1 VAL 28 HG13 VAL 28 5.232 -16.821 -16.821 212 1HG2 VAL 28 HG23 VAL 28 7.690 -17.360 -17.360 213 2HG2 VAL 28 HG22 VAL 28 8.583 -17.629 -17.629 214 3HG2 VAL 28 HG21 VAL 28 7.222 -18.673 -18.673 215 H ASN 29 HN ASN 29 4.670 -14.405 -14.405 216 HA ASN 29 HA ASN 29 6.897 -12.705 -12.705 217 1HB ASN 29 HB2 ASN 29 7.165 -13.452 -13.452 218 2HB ASN 29 HB1 ASN 29 8.025 -14.348 -14.348 219 1HD2 ASN 29 HD21 ASN 29 6.911 -16.400 -16.400 220 2HD2 ASN 29 HD22 ASN 29 5.923 -17.243 -17.243 221 H ARG 30 HN ARG 30 4.087 -12.565 -12.565 222 HA ARG 30 HA ARG 30 3.021 -11.406 -11.406 223 1HB ARG 30 HB2 ARG 30 1.577 -12.249 -12.249 224 2HB ARG 30 HB1 ARG 30 0.809 -11.615 -11.615 225 1HG ARG 30 HG2 ARG 30 2.083 -13.564 -13.564 226 2HG ARG 30 HG1 ARG 30 2.189 -14.257 -14.257 227 1HD ARG 30 HD2 ARG 30 -0.315 -13.519 -13.519 228 2HD ARG 30 HD1 ARG 30 0.195 -15.134 -15.134 229 HE ARG 30 HE ARG 30 -1.352 -13.296 -13.296 230 1HH1 ARG 30 HH21 ARG 30 1.354 -15.427 -15.427 231 2HH1 ARG 30 HH22 ARG 30 1.201 -15.570 -15.570 232 1HH2 ARG 30 HH11 ARG 30 -1.554 -13.476 -13.476 233 2HH2 ARG 30 HH12 ARG 30 -0.442 -14.465 -14.465 234 H THR 31 HN THR 31 2.588 -9.207 -9.207 235 HA THR 31 HA THR 31 3.731 -7.472 -7.472 236 HB THR 31 HB THR 31 1.370 -6.566 -6.566 237 HG1 THR 31 HG1 THR 31 3.882 -6.686 -6.686 238 1HG2 THR 31 HG21 THR 31 4.084 -5.411 -5.411 239 2HG2 THR 31 HG23 THR 31 2.888 -4.605 -4.605 240 3HG2 THR 31 HG22 THR 31 2.530 -4.931 -4.931 241 H LEU 32 HN LEU 32 3.027 -6.837 -6.837 242 HA LEU 32 HA LEU 32 0.594 -7.975 -7.975 243 1HB LEU 32 HB2 LEU 32 2.993 -7.203 -7.203 244 2HB LEU 32 HB1 LEU 32 1.969 -5.872 -5.872 245 HG LEU 32 HG LEU 32 1.231 -8.790 -8.790 246 1HD1 LEU 32 HD13 LEU 32 3.352 -7.663 -7.663 247 2HD1 LEU 32 HD12 LEU 32 2.055 -7.103 -7.103 248 3HD1 LEU 32 HD11 LEU 32 2.284 -8.824 -8.824 249 1HD2 LEU 32 HD23 LEU 32 -0.623 -7.133 -7.133 250 2HD2 LEU 32 HD22 LEU 32 -0.396 -7.857 -7.857 251 3HD2 LEU 32 HD21 LEU 32 0.202 -6.230 -6.230 252 H GLU 33 HN GLU 33 0.454 -5.255 -5.255 253 HA GLU 33 HA GLU 33 -1.996 -4.342 -4.342 254 1HB GLU 33 HB2 GLU 33 -1.436 -2.162 -2.162 255 2HB GLU 33 HB1 GLU 33 -0.671 -3.432 -3.432 256 1HG GLU 33 HG2 GLU 33 1.092 -1.926 -1.926 257 2HG GLU 33 HG1 GLU 33 1.362 -3.061 -3.061 258 H GLY 34 HN GLY 34 0.981 -3.378 -3.378 259 1HA GLY 34 HA2 GLY 34 -0.594 -2.830 -2.830 260 2HA GLY 34 HA1 GLY 34 -0.149 -1.330 -1.330 261 H GLY 35 HN GLY 35 2.402 -1.812 -1.812 262 1HA GLY 35 HA2 GLY 35 3.877 -2.654 -2.654 263 2HA GLY 35 HA1 GLY 35 4.227 -1.099 -1.099 264 H ARG 36 HN ARG 36 3.383 -3.580 -3.580 265 HA ARG 36 HA ARG 36 6.284 -3.883 -3.883 266 1HB ARG 36 HB2 ARG 36 3.978 -4.275 -4.275 267 2HB ARG 36 HB1 ARG 36 5.681 -3.995 -3.995 268 1HG ARG 36 HG2 ARG 36 5.315 -1.756 -1.756 269 2HG ARG 36 HG1 ARG 36 3.613 -2.043 -2.043 270 1HD ARG 36 HD2 ARG 36 4.085 -2.100 -2.100 271 2HD ARG 36 HD1 ARG 36 5.817 -1.968 -1.968 272 HE ARG 36 HE ARG 36 4.755 0.271 0.271 273 1HH1 ARG 36 HH21 ARG 36 4.597 -1.165 -1.165 274 2HH1 ARG 36 HH22 ARG 36 4.399 0.343 0.343 275 1HH2 ARG 36 HH11 ARG 36 4.497 2.251 2.251 276 2HH2 ARG 36 HH12 ARG 36 4.346 2.277 2.277 277 H LYS 37 HN LYS 37 6.453 -6.008 -6.008 278 HA LYS 37 HA LYS 37 5.002 -8.241 -8.241 279 1HB LYS 37 HB2 LYS 37 7.533 -9.258 -9.258 280 2HB LYS 37 HB1 LYS 37 6.980 -8.786 -8.786 281 1HG LYS 37 HG2 LYS 37 9.060 -7.623 -7.623 282 2HG LYS 37 HG1 LYS 37 7.762 -6.436 -6.436 283 1HD LYS 37 HD2 LYS 37 7.713 -6.951 -6.951 284 2HD LYS 37 HD1 LYS 37 9.305 -7.644 -7.644 285 1HE LYS 37 HE2 LYS 37 8.417 -4.794 -4.794 286 2HE LYS 37 HE1 LYS 37 9.896 -5.457 -5.457 287 1HZ LYS 37 HZ1 LYS 37 9.629 -5.953 -5.953 288 2HZ LYS 37 HZ3 LYS 37 9.677 -4.301 -4.301 289 3HZ LYS 37 HZ2 LYS 37 10.940 -5.322 -5.322 290 HA PRO 38 HA PRO 38 4.298 -9.863 -9.863 291 1HB PRO 38 HB2 PRO 38 5.050 -12.559 -12.559 292 2HB PRO 38 HB1 PRO 38 3.461 -11.864 -11.864 293 1HG PRO 38 HG2 PRO 38 5.568 -12.682 -12.682 294 2HG PRO 38 HG1 PRO 38 3.842 -12.420 -12.420 295 1HD PRO 38 HD2 PRO 38 5.923 -10.690 -10.690 296 2HD PRO 38 HD1 PRO 38 4.197 -10.283 -10.283 297 H LEU 39 HN LEU 39 7.130 -8.853 -8.853 298 HA LEU 39 HA LEU 39 8.450 -10.460 -10.460 299 1HB LEU 39 HB2 LEU 39 9.429 -10.752 -10.752 300 2HB LEU 39 HB1 LEU 39 9.954 -9.086 -9.086 301 HG LEU 39 HG LEU 39 11.678 -9.598 -9.598 302 1HD1 LEU 39 HD13 LEU 39 10.050 -11.855 -11.855 303 2HD1 LEU 39 HD12 LEU 39 11.662 -11.400 -11.400 304 3HD1 LEU 39 HD11 LEU 39 10.316 -10.289 -10.289 305 1HD2 LEU 39 HD22 LEU 39 11.761 -11.172 -11.172 306 2HD2 LEU 39 HD21 LEU 39 12.731 -11.655 -11.655 307 3HD2 LEU 39 HD23 LEU 39 11.176 -12.428 -12.428 308 H HIS 40 HN HIS 40 7.604 -7.360 -7.360 309 HA HIS 40 HA HIS 40 9.461 -5.792 -5.792 310 1HB HIS 40 HB2 HIS 40 8.391 -4.807 -4.807 311 2HB HIS 40 HB1 HIS 40 6.795 -5.062 -5.062 312 HD1 HIS 40 HD1 HIS 40 5.996 -3.404 -3.404 313 HD2 HIS 40 HD2 HIS 40 9.941 -2.737 -2.737 314 HE1 HIS 40 HE1 HIS 40 6.682 -1.190 -1.190 315 H TYR 41 HN TYR 41 6.033 -6.707 -6.707 316 HA TYR 41 HA TYR 41 5.798 -5.417 -5.417 317 1HB TYR 41 HB2 TYR 41 4.183 -7.740 -7.740 318 2HB TYR 41 HB1 TYR 41 3.704 -6.621 -6.621 319 HD1 TYR 41 HD1 TYR 41 4.616 -6.812 -6.812 320 HD2 TYR 41 HD2 TYR 41 2.691 -4.552 -4.552 321 HE1 TYR 41 HE1 TYR 41 3.725 -5.243 -5.243 322 HE2 TYR 41 HE2 TYR 41 1.797 -2.988 -2.988 323 HH TYR 41 HH TYR 41 1.253 -3.292 -3.292 324 H ALA 42 HN ALA 42 6.600 -8.685 -8.685 325 HA ALA 42 HA ALA 42 6.690 -9.892 -9.892 326 1HB ALA 42 HB2 ALA 42 6.746 -11.084 -11.084 327 2HB ALA 42 HB1 ALA 42 8.437 -10.607 -10.607 328 3HB ALA 42 HB3 ALA 42 7.901 -11.676 -11.676 329 H ALA 43 HN ALA 43 9.277 -8.728 -8.728 330 HA ALA 43 HA ALA 43 11.452 -8.864 -8.864 331 1HB ALA 43 HB3 ALA 43 10.787 -6.690 -6.690 332 2HB ALA 43 HB2 ALA 43 12.393 -7.006 -7.006 333 3HB ALA 43 HB1 ALA 43 11.606 -8.207 -8.207 334 H ASP 44 HN ASP 44 9.515 -5.920 -5.920 335 HA ASP 44 HA ASP 44 10.551 -4.344 -4.344 336 1HB ASP 44 HB2 ASP 44 7.845 -4.399 -4.399 337 2HB ASP 44 HB1 ASP 44 8.247 -3.200 -3.200 338 H CYS 45 HN CYS 45 7.843 -6.664 -6.664 339 HA CYS 45 HA CYS 45 8.226 -6.776 -6.776 340 1HB CYS 45 HB2 CYS 45 5.526 -5.978 -5.978 341 2HB CYS 45 HB1 CYS 45 5.983 -6.093 -6.093 342 HG CYS 45 HG CYS 45 7.630 -4.032 -4.032 343 H GLY 46 HN GLY 46 8.764 -8.894 -8.894 344 1HA GLY 46 HA2 GLY 46 6.256 -10.531 -10.531 345 2HA GLY 46 HA1 GLY 46 7.749 -10.875 -10.875 346 H GLN 47 HN GLN 47 7.761 -9.909 -9.909 347 HA GLN 47 HA GLN 47 8.648 -11.061 -11.061 348 1HB GLN 47 HB2 GLN 47 6.958 -13.160 -13.160 349 2HB GLN 47 HB1 GLN 47 7.844 -13.523 -13.523 350 1HG GLN 47 HG2 GLN 47 5.463 -12.752 -12.752 351 2HG GLN 47 HG1 GLN 47 6.675 -11.801 -11.801 352 1HE2 GLN 47 HE21 GLN 47 5.525 -11.713 -11.713 353 2HE2 GLN 47 HE22 GLN 47 5.148 -10.058 -10.058 354 H LEU 48 HN LEU 48 9.821 -11.079 -11.079 355 HA LEU 48 HA LEU 48 11.777 -11.752 -11.752 356 1HB LEU 48 HB2 LEU 48 12.335 -12.516 -12.516 357 2HB LEU 48 HB1 LEU 48 13.516 -12.746 -12.746 358 HG LEU 48 HG LEU 48 14.134 -10.595 -10.595 359 1HD1 LEU 48 HD12 LEU 48 11.227 -9.890 -9.890 360 2HD1 LEU 48 HD11 LEU 48 12.534 -8.724 -8.724 361 3HD1 LEU 48 HD13 LEU 48 12.482 -9.939 -9.939 362 1HD2 LEU 48 HD22 LEU 48 11.977 -10.457 -10.457 363 2HD2 LEU 48 HD21 LEU 48 13.702 -10.724 -10.724 364 3HD2 LEU 48 HD23 LEU 48 13.122 -9.152 -9.152 365 H GLU 49 HN GLU 49 9.547 -13.879 -13.879 366 HA GLU 49 HA GLU 49 11.051 -16.296 -16.296 367 1HB GLU 49 HB2 GLU 49 8.754 -17.401 -17.401 368 2HB GLU 49 HB1 GLU 49 9.803 -16.879 -16.879 369 1HG GLU 49 HG2 GLU 49 8.576 -14.776 -14.776 370 2HG GLU 49 HG1 GLU 49 7.562 -15.222 -15.222 371 H ILE 50 HN ILE 50 8.264 -14.281 -14.281 372 HA ILE 50 HA ILE 50 7.267 -15.782 -15.782 373 HB ILE 50 HB ILE 50 7.130 -12.790 -12.790 374 1HG1 ILE 50 HG12 ILE 50 5.949 -14.983 -14.983 375 2HG1 ILE 50 HG11 ILE 50 6.008 -13.274 -13.274 376 1HG2 ILE 50 HG21 ILE 50 5.378 -14.742 -14.742 377 2HG2 ILE 50 HG23 ILE 50 5.077 -13.016 -13.016 378 3HG2 ILE 50 HG22 ILE 50 6.492 -13.578 -13.578 379 1HD1 ILE 50 HD12 ILE 50 4.059 -14.362 -14.362 380 2HD1 ILE 50 HD11 ILE 50 3.694 -14.351 -14.351 381 3HD1 ILE 50 HD13 ILE 50 3.999 -12.840 -12.840 382 H LEU 51 HN LEU 51 9.468 -12.954 -12.954 383 HA LEU 51 HA LEU 51 9.752 -12.776 -12.776 384 1HB LEU 51 HB2 LEU 51 12.358 -12.351 -12.351 385 2HB LEU 51 HB1 LEU 51 11.112 -11.128 -11.128 386 HG LEU 51 HG LEU 51 12.430 -11.086 -11.086 387 1HD1 LEU 51 HD11 LEU 51 9.654 -11.279 -11.279 388 2HD1 LEU 51 HD13 LEU 51 10.156 -12.285 -12.285 389 3HD1 LEU 51 HD12 LEU 51 10.650 -10.598 -10.598 390 1HD2 LEU 51 HD23 LEU 51 12.939 -13.635 -13.635 391 2HD2 LEU 51 HD22 LEU 51 12.917 -12.912 -12.912 392 3HD2 LEU 51 HD21 LEU 51 11.524 -13.834 -13.834 393 H GLU 52 HN GLU 52 11.793 -14.905 -14.905 394 HA GLU 52 HA GLU 52 13.185 -16.158 -16.158 395 1HB GLU 52 HB2 GLU 52 12.339 -17.248 -17.248 396 2HB GLU 52 HB1 GLU 52 13.411 -18.102 -18.102 397 1HG GLU 52 HG2 GLU 52 14.782 -15.849 -15.849 398 2HG GLU 52 HG1 GLU 52 13.911 -15.581 -15.581 399 H PHE 53 HN PHE 53 9.977 -16.872 -16.872 400 HA PHE 53 HA PHE 53 9.569 -19.406 -19.406 401 1HB PHE 53 HB2 PHE 53 7.987 -18.519 -18.519 402 2HB PHE 53 HB1 PHE 53 7.589 -17.183 -17.183 403 HD1 PHE 53 HD1 PHE 53 7.796 -20.924 -20.924 404 HD2 PHE 53 HD2 PHE 53 5.676 -17.398 -17.398 405 HE1 PHE 53 HE1 PHE 53 6.100 -22.338 -22.338 406 HE2 PHE 53 HE2 PHE 53 3.979 -18.801 -18.801 407 HZ PHE 53 HZ PHE 53 4.195 -21.278 -21.278 408 H LEU 54 HN LEU 54 7.715 -16.739 -16.739 409 HA LEU 54 HA LEU 54 7.369 -18.030 -18.030 410 1HB LEU 54 HB2 LEU 54 6.795 -15.865 -15.865 411 2HB LEU 54 HB1 LEU 54 6.054 -16.074 -16.074 412 HG LEU 54 HG LEU 54 6.793 -13.918 -13.918 413 1HD1 LEU 54 HD12 LEU 54 9.359 -15.400 -15.400 414 2HD1 LEU 54 HD11 LEU 54 8.952 -13.786 -13.786 415 3HD1 LEU 54 HD13 LEU 54 8.013 -15.145 -15.145 416 1HD2 LEU 54 HD23 LEU 54 7.662 -13.729 -13.729 417 2HD2 LEU 54 HD22 LEU 54 8.767 -12.970 -12.970 418 3HD2 LEU 54 HD21 LEU 54 9.144 -14.557 -14.557 419 H LEU 55 HN LEU 55 10.278 -17.067 -17.067 420 HA LEU 55 HA LEU 55 11.530 -16.442 -16.442 421 1HB LEU 55 HB2 LEU 55 12.103 -15.562 -15.562 422 2HB LEU 55 HB1 LEU 55 13.124 -16.995 -16.995 423 HG LEU 55 HG LEU 55 13.200 -14.890 -14.890 424 1HD1 LEU 55 HD12 LEU 55 13.881 -14.048 -14.048 425 2HD1 LEU 55 HD11 LEU 55 15.123 -15.298 -15.298 426 3HD1 LEU 55 HD13 LEU 55 15.186 -14.023 -14.023 427 1HD2 LEU 55 HD23 LEU 55 14.763 -17.386 -17.386 428 2HD2 LEU 55 HD22 LEU 55 14.128 -16.849 -16.849 429 3HD2 LEU 55 HD21 LEU 55 15.544 -16.063 -16.063 430 H LEU 56 HN LEU 56 11.281 -19.120 -19.120 431 HA LEU 56 HA LEU 56 13.271 -20.844 -20.844 432 1HB LEU 56 HB2 LEU 56 10.575 -21.872 -21.872 433 2HB LEU 56 HB1 LEU 56 12.149 -22.629 -22.629 434 HG LEU 56 HG LEU 56 11.154 -20.164 -20.164 435 1HD1 LEU 56 HD13 LEU 56 11.718 -23.007 -23.007 436 2HD1 LEU 56 HD12 LEU 56 11.448 -21.684 -21.684 437 3HD1 LEU 56 HD11 LEU 56 10.162 -22.181 -22.181 438 1HD2 LEU 56 HD21 LEU 56 13.829 -21.554 -21.554 439 2HD2 LEU 56 HD23 LEU 56 13.489 -19.834 -19.834 440 3HD2 LEU 56 HD22 LEU 56 13.350 -20.596 -20.596 441 H LYS 57 HN LYS 57 9.854 -20.538 -20.538 442 HA LYS 57 HA LYS 57 9.920 -22.441 -22.441 443 1HB LYS 57 HB2 LYS 57 8.134 -20.124 -20.124 444 2HB LYS 57 HB1 LYS 57 7.948 -20.881 -20.881 445 1HG LYS 57 HG2 LYS 57 6.448 -22.095 -22.095 446 2HG LYS 57 HG1 LYS 57 7.876 -23.124 -23.124 447 1HD LYS 57 HD2 LYS 57 8.594 -22.062 -22.062 448 2HD LYS 57 HD1 LYS 57 7.062 -21.188 -21.188 449 1HE LYS 57 HE2 LYS 57 7.188 -24.202 -24.202 450 2HE LYS 57 HE1 LYS 57 7.146 -23.382 -23.382 451 1HZ LYS 57 HZ3 LYS 57 5.108 -22.210 -22.210 452 2HZ LYS 57 HZ2 LYS 57 5.101 -23.338 -23.338 453 3HZ LYS 57 HZ1 LYS 57 4.928 -23.862 -23.862 454 H GLY 58 HN GLY 58 8.957 -19.392 -19.392 455 1HA GLY 58 HA2 GLY 58 11.053 -19.453 -19.453 456 2HA GLY 58 HA1 GLY 58 9.814 -18.206 -18.206 457 H ALA 59 HN ALA 59 10.958 -16.278 -16.278 458 HA ALA 59 HA ALA 59 12.298 -15.703 -15.703 459 1HB ALA 59 HB2 ALA 59 14.151 -16.349 -16.349 460 2HB ALA 59 HB1 ALA 59 14.646 -15.440 -15.440 461 3HB ALA 59 HB3 ALA 59 14.117 -17.113 -17.113 462 H ASP 60 HN ASP 60 10.844 -13.918 -13.918 463 HA ASP 60 HA ASP 60 11.280 -12.079 -12.079 464 1HB ASP 60 HB2 ASP 60 9.104 -12.115 -12.115 465 2HB ASP 60 HB1 ASP 60 9.835 -11.832 -11.832 466 H ILE 61 HN ILE 61 13.167 -13.046 -13.046 467 HA ILE 61 HA ILE 61 14.151 -10.880 -10.880 468 HB ILE 61 HB ILE 61 14.799 -13.355 -13.355 469 1HG1 ILE 61 HG12 ILE 61 16.825 -11.108 -11.108 470 2HG1 ILE 61 HG11 ILE 61 15.989 -11.884 -11.884 471 1HG2 ILE 61 HG21 ILE 61 15.355 -13.267 -13.267 472 2HG2 ILE 61 HG23 ILE 61 16.885 -12.549 -12.549 473 3HG2 ILE 61 HG22 ILE 61 16.452 -14.170 -14.170 474 1HD1 ILE 61 HD11 ILE 61 17.195 -14.056 -14.056 475 2HD1 ILE 61 HD13 ILE 61 18.322 -12.856 -12.856 476 3HD1 ILE 61 HD12 ILE 61 18.024 -12.965 -12.965 477 H ASN 62 HN ASN 62 14.512 -11.620 -11.620 478 HA ASN 62 HA ASN 62 16.154 -9.166 -9.166 479 1HB ASN 62 HB2 ASN 62 17.382 -10.439 -10.439 480 2HB ASN 62 HB1 ASN 62 17.739 -10.951 -10.951 481 1HD2 ASN 62 HD21 ASN 62 14.643 -12.021 -12.021 482 2HD2 ASN 62 HD22 ASN 62 14.976 -13.583 -13.583 483 H ALA 63 HN ALA 63 13.912 -11.453 -11.453 484 HA ALA 63 HA ALA 63 13.347 -10.846 -10.846 485 1HB ALA 63 HB3 ALA 63 11.809 -12.052 -12.052 486 2HB ALA 63 HB2 ALA 63 11.176 -10.500 -10.500 487 3HB ALA 63 HB1 ALA 63 10.988 -10.999 -10.999 488 HA PRO 64 HA PRO 64 11.081 -6.433 -6.433 489 1HB PRO 64 HB2 PRO 64 13.855 -5.808 -5.808 490 2HB PRO 64 HB1 PRO 64 12.303 -5.200 -5.200 491 1HG PRO 64 HG2 PRO 64 13.781 -7.401 -7.401 492 2HG PRO 64 HG1 PRO 64 12.123 -6.949 -6.949 493 1HD PRO 64 HD2 PRO 64 12.827 -9.328 -9.328 494 2HD PRO 64 HD1 PRO 64 11.208 -8.619 -8.619 495 H ASP 65 HN ASP 65 10.931 -5.087 -5.087 496 HA ASP 65 HA ASP 65 13.182 -4.588 -4.588 497 1HB ASP 65 HB2 ASP 65 10.374 -5.510 -5.510 498 2HB ASP 65 HB1 ASP 65 11.442 -4.758 -4.758 499 H LYS 66 HN LYS 66 9.779 -3.776 -3.776 500 HA LYS 66 HA LYS 66 10.134 -1.012 -1.012 501 1HB LYS 66 HB2 LYS 66 8.047 -2.479 -2.479 502 2HB LYS 66 HB1 LYS 66 7.758 -2.193 -2.193 503 1HG LYS 66 HG2 LYS 66 6.551 -0.524 -0.524 504 2HG LYS 66 HG1 LYS 66 7.970 0.288 0.288 505 1HD LYS 66 HD2 LYS 66 8.939 0.520 0.520 506 2HD LYS 66 HD1 LYS 66 8.091 -0.877 -0.877 507 1HE LYS 66 HE2 LYS 66 7.335 1.540 1.540 508 2HE LYS 66 HE1 LYS 66 6.115 0.317 0.317 509 1HZ LYS 66 HZ3 LYS 66 6.384 1.241 1.241 510 2HZ LYS 66 HZ2 LYS 66 6.946 2.627 2.627 511 3HZ LYS 66 HZ1 LYS 66 5.386 2.034 2.034 512 H HIS 67 HN HIS 67 10.336 -2.848 -2.848 513 HA HIS 67 HA HIS 67 9.880 -0.625 -0.625 514 1HB HIS 67 HB2 HIS 67 11.388 -3.109 -3.109 515 2HB HIS 67 HB1 HIS 67 10.190 -2.212 -2.212 516 HD1 HIS 67 HD1 HIS 67 7.998 -2.135 -2.135 517 HD2 HIS 67 HD2 HIS 67 9.980 -5.553 -5.553 518 HE1 HIS 67 HE1 HIS 67 6.518 -4.101 -4.101 519 H HIS 68 HN HIS 68 12.321 -1.464 -1.464 520 HA HIS 68 HA HIS 68 14.632 -0.987 -0.987 521 1HB HIS 68 HB2 HIS 68 13.543 1.240 1.240 522 2HB HIS 68 HB1 HIS 68 13.639 1.477 1.477 523 HD1 HIS 68 HD1 HIS 68 15.481 3.140 3.140 524 HD2 HIS 68 HD2 HIS 68 16.538 0.204 0.204 525 HE1 HIS 68 HE1 HIS 68 17.910 3.551 3.551 526 H ILE 69 HN ILE 69 13.571 -2.338 -2.338 527 HA ILE 69 HA ILE 69 16.085 -2.124 -2.124 528 HB ILE 69 HB ILE 69 14.030 -0.373 -0.373 529 1HG1 ILE 69 HG12 ILE 69 16.458 -0.107 -0.107 530 2HG1 ILE 69 HG11 ILE 69 15.561 0.138 0.138 531 1HG2 ILE 69 HG21 ILE 69 12.907 -2.356 -2.356 532 2HG2 ILE 69 HG23 ILE 69 14.323 -2.546 -2.546 533 3HG2 ILE 69 HG22 ILE 69 13.347 -1.088 -1.088 534 1HD1 ILE 69 HD12 ILE 69 16.037 -2.492 -2.492 535 2HD1 ILE 69 HD11 ILE 69 17.416 -2.079 -2.079 536 3HD1 ILE 69 HD13 ILE 69 17.184 -1.287 -1.287 537 H THR 70 HN THR 70 16.337 -3.698 -3.698 538 HA THR 70 HA THR 70 14.492 -5.994 -5.994 539 HB THR 70 HB THR 70 16.588 -6.789 -6.789 540 HG1 THR 70 HG1 THR 70 16.024 -7.146 -7.146 541 1HG2 THR 70 HG22 THR 70 17.641 -4.734 -4.734 542 2HG2 THR 70 HG21 THR 70 18.676 -5.962 -5.962 543 3HG2 THR 70 HG23 THR 70 17.849 -4.797 -4.797 544 HA PRO 71 HA PRO 71 13.103 -5.230 -5.230 545 1HB PRO 71 HB2 PRO 71 13.219 -8.060 -8.060 546 2HB PRO 71 HB1 PRO 71 11.798 -7.030 -7.030 547 1HG PRO 71 HG2 PRO 71 12.495 -9.021 -9.021 548 2HG PRO 71 HG1 PRO 71 11.691 -7.530 -7.530 549 1HD PRO 71 HD2 PRO 71 14.594 -8.266 -8.266 550 2HD PRO 71 HD1 PRO 71 13.583 -7.378 -7.378 551 H LEU 72 HN LEU 72 16.246 -6.863 -6.863 552 HA LEU 72 HA LEU 72 16.568 -7.101 -7.101 553 1HB LEU 72 HB2 LEU 72 19.001 -6.101 -6.101 554 2HB LEU 72 HB1 LEU 72 18.766 -7.528 -7.528 555 HG LEU 72 HG LEU 72 19.258 -8.468 -8.468 556 1HD1 LEU 72 HD11 LEU 72 16.605 -8.718 -8.718 557 2HD1 LEU 72 HD13 LEU 72 16.489 -8.407 -8.407 558 3HD1 LEU 72 HD12 LEU 72 17.451 -9.747 -9.747 559 1HD2 LEU 72 HD21 LEU 72 19.375 -6.349 -6.349 560 2HD2 LEU 72 HD23 LEU 72 18.504 -7.563 -7.563 561 3HD2 LEU 72 HD22 LEU 72 17.621 -6.286 -6.286 562 H LEU 73 HN LEU 73 16.983 -4.252 -4.252 563 HA LEU 73 HA LEU 73 17.934 -2.603 -2.603 564 1HB LEU 73 HB2 LEU 73 16.602 -1.722 -1.722 565 2HB LEU 73 HB1 LEU 73 17.572 -0.725 -0.725 566 HG LEU 73 HG LEU 73 19.378 -2.627 -2.627 567 1HD1 LEU 73 HD13 LEU 73 17.316 -3.344 -3.344 568 2HD1 LEU 73 HD12 LEU 73 18.790 -2.906 -2.906 569 3HD1 LEU 73 HD11 LEU 73 18.830 -4.169 -4.169 570 1HD2 LEU 73 HD23 LEU 73 18.690 -0.349 -0.349 571 2HD2 LEU 73 HD22 LEU 73 19.937 -0.435 -0.435 572 3HD2 LEU 73 HD21 LEU 73 20.118 -1.339 -1.339 573 H SER 74 HN SER 74 14.872 -3.787 -3.787 574 HA SER 74 HA SER 74 13.163 -1.794 -1.794 575 1HB SER 74 HB2 SER 74 11.477 -3.436 -3.436 576 2HB SER 74 HB1 SER 74 12.611 -4.006 -4.006 577 HG SER 74 HG SER 74 11.867 -5.146 -5.146 578 H ALA 75 HN ALA 75 14.575 -4.655 -4.655 579 HA ALA 75 HA ALA 75 13.585 -3.977 -3.977 580 1HB ALA 75 HB3 ALA 75 15.695 -5.873 -5.873 581 2HB ALA 75 HB2 ALA 75 15.383 -5.673 -5.673 582 3HB ALA 75 HB1 ALA 75 14.104 -6.251 -6.251 583 H VAL 76 HN VAL 76 16.601 -3.309 -3.309 584 HA VAL 76 HA VAL 76 18.320 -2.477 -2.477 585 HB VAL 76 HB VAL 76 17.712 -1.275 -1.275 586 1HG1 VAL 76 HG12 VAL 76 18.929 0.282 0.282 587 2HG1 VAL 76 HG11 VAL 76 20.308 -0.731 -0.731 588 3HG1 VAL 76 HG13 VAL 76 19.486 0.196 0.196 589 1HG2 VAL 76 HG23 VAL 76 18.581 -3.577 -3.577 590 2HG2 VAL 76 HG22 VAL 76 19.787 -2.488 -2.488 591 3HG2 VAL 76 HG21 VAL 76 19.937 -3.037 -3.037 592 H TYR 77 HN TYR 77 16.038 -0.181 -0.181 593 HA TYR 77 HA TYR 77 16.300 1.698 1.698 594 1HB TYR 77 HB2 TYR 77 14.017 1.901 1.901 595 2HB TYR 77 HB1 TYR 77 15.124 3.153 3.153 596 HD1 TYR 77 HD2 TYR 77 17.474 3.237 3.237 597 HD2 TYR 77 HD1 TYR 77 14.440 0.676 0.676 598 HE1 TYR 77 HE2 TYR 77 18.803 2.990 2.990 599 HE2 TYR 77 HE1 TYR 77 15.771 0.433 0.433 600 HH TYR 77 HH TYR 77 17.886 2.260 2.260 601 H GLU 78 HN GLU 78 15.480 -0.775 -0.775 602 HA GLU 78 HA GLU 78 12.664 -0.143 -0.143 603 1HB GLU 78 HB2 GLU 78 13.130 -2.199 -2.199 604 2HB GLU 78 HB1 GLU 78 13.629 -2.990 -2.990 605 1HG GLU 78 HG2 GLU 78 10.919 -1.899 -1.899 606 2HG GLU 78 HG1 GLU 78 11.347 -3.514 -3.514 607 H GLY 79 HN GLY 79 15.823 -1.491 -1.491 608 1HA GLY 79 HA2 GLY 79 16.828 -1.320 -1.320 609 2HA GLY 79 HA1 GLY 79 15.215 -1.101 -1.101 610 H HIS 80 HN HIS 80 14.711 -3.399 -3.399 611 HA HIS 80 HA HIS 80 14.743 -5.534 -5.534 612 1HB HIS 80 HB2 HIS 80 13.660 -5.144 -5.144 613 2HB HIS 80 HB1 HIS 80 14.010 -6.807 -6.807 614 HD1 HIS 80 HD1 HIS 80 11.538 -7.503 -7.503 615 HD2 HIS 80 HD2 HIS 80 12.611 -4.190 -4.190 616 HE1 HIS 80 HE1 HIS 80 9.701 -7.193 -7.193 617 H VAL 81 HN VAL 81 16.144 -5.134 -5.134 618 HA VAL 81 HA VAL 81 17.886 -6.398 -6.398 619 HB VAL 81 HB VAL 81 20.046 -5.846 -5.846 620 1HG1 VAL 81 HG11 VAL 81 19.229 -4.778 -4.778 621 2HG1 VAL 81 HG13 VAL 81 18.318 -3.636 -3.636 622 3HG1 VAL 81 HG12 VAL 81 20.077 -3.674 -3.674 623 1HG2 VAL 81 HG22 VAL 81 18.679 -5.291 -5.291 624 2HG2 VAL 81 HG21 VAL 81 19.656 -3.933 -3.933 625 3HG2 VAL 81 HG23 VAL 81 17.930 -3.973 -3.973 626 H SER 82 HN SER 82 16.297 -7.848 -7.848 627 HA SER 82 HA SER 82 18.297 -9.826 -9.826 628 1HB SER 82 HB2 SER 82 15.409 -9.281 -9.281 629 2HB SER 82 HB1 SER 82 15.854 -10.983 -10.983 630 HG SER 82 HG SER 82 16.224 -9.241 -9.241 631 H CYS 83 HN CYS 83 16.217 -9.013 -9.013 632 HA CYS 83 HA CYS 83 16.079 -11.686 -11.686 633 1HB CYS 83 HB2 CYS 83 14.674 -10.704 -10.704 634 2HB CYS 83 HB1 CYS 83 14.311 -9.777 -9.777 635 HG CYS 83 HG CYS 83 15.835 -7.852 -7.852 636 H VAL 84 HN VAL 84 17.572 -8.512 -8.512 637 HA VAL 84 HA VAL 84 19.005 -9.164 -9.164 638 HB VAL 84 HB VAL 84 20.834 -7.706 -7.706 639 1HG1 VAL 84 HG13 VAL 84 18.671 -6.746 -6.746 640 2HG1 VAL 84 HG12 VAL 84 18.139 -6.601 -6.601 641 3HG1 VAL 84 HG11 VAL 84 19.538 -5.689 -5.689 642 1HG2 VAL 84 HG22 VAL 84 19.391 -8.166 -8.166 643 2HG2 VAL 84 HG21 VAL 84 21.116 -8.254 -8.254 644 3HG2 VAL 84 HG23 VAL 84 20.309 -6.690 -6.690 645 H LYS 85 HN LYS 85 19.757 -9.999 -9.999 646 HA LYS 85 HA LYS 85 22.267 -11.167 -11.167 647 1HB LYS 85 HB2 LYS 85 19.904 -11.854 -11.854 648 2HB LYS 85 HB1 LYS 85 21.477 -12.602 -12.602 649 1HG LYS 85 HG2 LYS 85 21.826 -9.744 -9.744 650 2HG LYS 85 HG1 LYS 85 20.617 -10.086 -10.086 651 1HD LYS 85 HD2 LYS 85 22.716 -10.100 -10.100 652 2HD LYS 85 HD1 LYS 85 22.254 -11.791 -11.791 653 1HE LYS 85 HE2 LYS 85 23.986 -10.451 -10.451 654 2HE LYS 85 HE1 LYS 85 24.688 -11.128 -11.128 655 1HZ LYS 85 HZ2 LYS 85 23.153 -13.143 -13.143 656 2HZ LYS 85 HZ1 LYS 85 23.453 -12.481 -12.481 657 3HZ LYS 85 HZ3 LYS 85 24.749 -12.967 -12.967 658 H LEU 86 HN LEU 86 19.489 -13.369 -13.369 659 HA LEU 86 HA LEU 86 20.798 -15.470 -15.470 660 1HB LEU 86 HB2 LEU 86 18.613 -16.657 -16.657 661 2HB LEU 86 HB1 LEU 86 19.118 -16.109 -16.109 662 HG LEU 86 HG LEU 86 16.714 -15.746 -15.746 663 1HD1 LEU 86 HD13 LEU 86 18.286 -14.124 -14.124 664 2HD1 LEU 86 HD12 LEU 86 17.861 -12.997 -12.997 665 3HD1 LEU 86 HD11 LEU 86 16.600 -13.707 -13.707 666 1HD2 LEU 86 HD23 LEU 86 17.091 -15.272 -15.272 667 2HD2 LEU 86 HD22 LEU 86 15.855 -14.340 -14.340 668 3HD2 LEU 86 HD21 LEU 86 17.421 -13.619 -13.619 669 H LEU 87 HN LEU 87 19.657 -12.693 -12.693 670 HA LEU 87 HA LEU 87 18.326 -13.759 -13.759 671 1HB LEU 87 HB2 LEU 87 18.884 -11.195 -11.195 672 2HB LEU 87 HB1 LEU 87 19.464 -11.196 -11.196 673 HG LEU 87 HG LEU 87 16.708 -12.150 -12.150 674 1HD1 LEU 87 HD12 LEU 87 17.662 -9.447 -9.447 675 2HD1 LEU 87 HD11 LEU 87 15.973 -9.948 -9.948 676 3HD1 LEU 87 HD13 LEU 87 16.811 -9.810 -9.810 677 1HD2 LEU 87 HD23 LEU 87 18.070 -11.524 -11.524 678 2HD2 LEU 87 HD22 LEU 87 17.372 -13.063 -13.063 679 3HD2 LEU 87 HD21 LEU 87 16.326 -11.691 -11.691 680 H LEU 88 HN LEU 88 21.472 -11.953 -11.953 681 HA LEU 88 HA LEU 88 22.207 -12.911 -12.911 682 1HB LEU 88 HB2 LEU 88 24.458 -12.252 -12.252 683 2HB LEU 88 HB1 LEU 88 23.433 -11.067 -11.067 684 HG LEU 88 HG LEU 88 25.198 -11.531 -11.531 685 1HD1 LEU 88 HD11 LEU 88 22.841 -11.572 -11.572 686 2HD1 LEU 88 HD13 LEU 88 22.974 -13.327 -13.327 687 3HD1 LEU 88 HD12 LEU 88 24.064 -12.349 -12.349 688 1HD2 LEU 88 HD22 LEU 88 25.464 -13.941 -13.941 689 2HD2 LEU 88 HD21 LEU 88 26.262 -13.518 -13.518 690 3HD2 LEU 88 HD23 LEU 88 24.767 -14.445 -14.445 691 H SER 89 HN SER 89 21.875 -14.626 -14.626 692 HA SER 89 HA SER 89 23.814 -16.696 -16.696 693 1HB SER 89 HB2 SER 89 22.106 -16.301 -16.301 694 2HB SER 89 HB1 SER 89 21.002 -17.244 -17.244 695 HG SER 89 HG SER 89 22.616 -18.260 -18.260 696 H LYS 90 HN LYS 90 21.034 -15.720 -15.720 697 HA LYS 90 HA LYS 90 20.890 -18.269 -18.269 698 1HB LYS 90 HB2 LYS 90 19.011 -15.961 -15.961 699 2HB LYS 90 HB1 LYS 90 18.803 -16.973 -16.973 700 1HG LYS 90 HG2 LYS 90 18.480 -18.925 -18.925 701 2HG LYS 90 HG1 LYS 90 19.043 -18.142 -18.142 702 1HD LYS 90 HD2 LYS 90 16.681 -16.964 -16.964 703 2HD LYS 90 HD1 LYS 90 16.437 -18.442 -18.442 704 1HE LYS 90 HE2 LYS 90 17.701 -15.906 -15.906 705 2HE LYS 90 HE1 LYS 90 16.034 -16.404 -16.404 706 1HZ LYS 90 HZ1 LYS 90 17.528 -18.602 -18.602 707 2HZ LYS 90 HZ3 LYS 90 18.432 -17.307 -17.307 708 3HZ LYS 90 HZ2 LYS 90 16.815 -17.517 -17.517 709 H GLY 91 HN GLY 91 21.956 -15.006 -15.006 710 1HA GLY 91 HA2 GLY 91 23.624 -14.743 -14.743 711 2HA GLY 91 HA1 GLY 91 22.210 -15.087 -15.087 712 H ALA 92 HN ALA 92 20.732 -13.457 -13.457 713 HA ALA 92 HA ALA 92 19.997 -11.236 -11.236 714 1HB ALA 92 HB2 ALA 92 20.044 -11.989 -11.989 715 2HB ALA 92 HB1 ALA 92 20.439 -10.280 -10.280 716 3HB ALA 92 HB3 ALA 92 18.939 -10.892 -10.892 717 H ASP 93 HN ASP 93 23.235 -11.792 -11.792 718 HA ASP 93 HA ASP 93 25.099 -10.325 -10.325 719 1HB ASP 93 HB2 ASP 93 23.182 -8.998 -8.998 720 2HB ASP 93 HB1 ASP 93 24.869 -8.561 -8.561 721 H LYS 94 HN LYS 94 23.995 -7.384 -7.384 722 HA LYS 94 HA LYS 94 22.640 -6.529 -6.529 723 1HB LYS 94 HB2 LYS 94 24.756 -4.922 -4.922 724 2HB LYS 94 HB1 LYS 94 24.464 -6.448 -6.448 725 1HG LYS 94 HG2 LYS 94 26.350 -7.335 -7.335 726 2HG LYS 94 HG1 LYS 94 25.870 -6.954 -6.954 727 1HD LYS 94 HD2 LYS 94 26.976 -4.824 -4.824 728 2HD LYS 94 HD1 LYS 94 28.034 -5.858 -5.858 729 1HE LYS 94 HE2 LYS 94 26.988 -5.138 -5.138 730 2HE LYS 94 HE1 LYS 94 25.747 -4.257 -4.257 731 1HZ LYS 94 HZ3 LYS 94 28.635 -3.644 -3.644 732 2HZ LYS 94 HZ2 LYS 94 27.604 -2.879 -2.879 733 3HZ LYS 94 HZ1 LYS 94 27.333 -2.710 -2.710 734 H THR 95 HN THR 95 24.186 -5.924 -5.924 735 HA THR 95 HA THR 95 22.534 -3.460 -3.460 736 HB THR 95 HB THR 95 24.549 -2.683 -2.683 737 HG1 THR 95 HG1 THR 95 25.560 -4.816 -4.816 738 1HG2 THR 95 HG21 THR 95 24.484 -2.502 -2.502 739 2HG2 THR 95 HG23 THR 95 25.509 -1.502 -1.502 740 3HG2 THR 95 HG22 THR 95 23.753 -1.388 -1.388 741 H VAL 96 HN VAL 96 21.900 -6.067 -6.067 742 HA VAL 96 HA VAL 96 22.603 -6.352 -6.352 743 HB VAL 96 HB VAL 96 20.951 -7.841 -7.841 744 1HG1 VAL 96 HG13 VAL 96 20.511 -8.039 -8.039 745 2HG1 VAL 96 HG12 VAL 96 19.981 -9.255 -9.255 746 3HG1 VAL 96 HG11 VAL 96 19.306 -7.629 -7.629 747 1HG2 VAL 96 HG22 VAL 96 23.388 -8.292 -8.292 748 2HG2 VAL 96 HG21 VAL 96 22.287 -9.665 -9.665 749 3HG2 VAL 96 HG23 VAL 96 22.648 -8.946 -8.946 750 H LYS 97 HN LYS 97 20.654 -4.198 -4.198 751 HA LYS 97 HA LYS 97 19.261 -3.534 -3.534 752 1HB LYS 97 HB2 LYS 97 18.009 -5.283 -5.283 753 2HB LYS 97 HB1 LYS 97 17.144 -3.749 -3.749 754 1HG LYS 97 HG2 LYS 97 17.844 -5.129 -5.129 755 2HG LYS 97 HG1 LYS 97 16.326 -5.414 -5.414 756 1HD LYS 97 HD2 LYS 97 15.580 -3.213 -3.213 757 2HD LYS 97 HD1 LYS 97 17.205 -2.597 -2.597 758 1HE LYS 97 HE2 LYS 97 17.242 -3.989 -3.989 759 2HE LYS 97 HE1 LYS 97 15.528 -4.306 -4.306 760 1HZ LYS 97 HZ2 LYS 97 16.390 -1.529 -1.529 761 2HZ LYS 97 HZ1 LYS 97 16.400 -2.244 -2.244 762 3HZ LYS 97 HZ3 LYS 97 14.964 -2.192 -2.192 763 H GLY 98 HN GLY 98 20.251 -2.627 -2.627 764 1HA GLY 98 HA2 GLY 98 18.602 -0.219 -0.219 765 2HA GLY 98 HA1 GLY 98 19.986 -0.578 -0.578 766 HA PRO 99 HA PRO 99 20.765 2.995 2.995 767 1HB PRO 99 HB2 PRO 99 22.064 3.933 3.933 768 2HB PRO 99 HB1 PRO 99 21.063 4.844 4.844 769 1HG PRO 99 HG2 PRO 99 20.172 3.940 3.940 770 2HG PRO 99 HG1 PRO 99 19.101 4.269 4.269 771 1HD PRO 99 HD2 PRO 99 19.817 1.673 1.673 772 2HD PRO 99 HD1 PRO 99 18.537 2.052 2.052 773 H ASP 100 HN ASP 100 23.080 2.522 2.522 774 HA ASP 100 HA ASP 100 24.835 0.870 0.870 775 1HB ASP 100 HB2 ASP 100 25.232 3.204 3.204 776 2HB ASP 100 HB1 ASP 100 25.777 3.666 3.666 777 H GLY 101 HN GLY 101 26.840 2.612 2.612 778 1HA GLY 101 HA2 GLY 101 27.252 0.650 0.650 779 2HA GLY 101 HA1 GLY 101 27.728 2.335 2.335 780 H LEU 102 HN LEU 102 24.432 2.455 2.455 781 HA LEU 102 HA LEU 102 23.821 3.339 3.339 782 1HB LEU 102 HB2 LEU 102 22.221 3.359 3.359 783 2HB LEU 102 HB1 LEU 102 21.758 1.746 1.746 784 HG LEU 102 HG LEU 102 21.630 4.261 4.261 785 1HD1 LEU 102 HD13 LEU 102 19.618 2.743 2.743 786 2HD1 LEU 102 HD12 LEU 102 19.102 3.459 3.459 787 3HD1 LEU 102 HD11 LEU 102 19.766 4.478 4.478 788 1HD2 LEU 102 HD21 LEU 102 21.110 1.373 1.373 789 2HD2 LEU 102 HD23 LEU 102 21.981 2.554 2.554 790 3HD2 LEU 102 HD22 LEU 102 20.223 2.618 2.618 791 H THR 103 HN THR 103 22.478 0.204 0.204 792 HA THR 103 HA THR 103 21.848 -1.447 -1.447 793 HB THR 103 HB THR 103 23.687 -2.564 -2.564 794 HG1 THR 103 HG1 THR 103 25.094 -2.823 -2.823 795 1HG2 THR 103 HG21 THR 103 25.434 -0.459 -0.459 796 2HG2 THR 103 HG23 THR 103 26.041 -1.846 -1.846 797 3HG2 THR 103 HG22 THR 103 25.096 -0.607 -0.607 798 H ALA 104 HN ALA 104 24.545 -1.400 -1.400 799 HA ALA 104 HA ALA 104 23.046 -0.216 -0.216 800 1HB ALA 104 HB1 ALA 104 25.603 -1.803 -1.803 801 2HB ALA 104 HB3 ALA 104 25.031 -1.134 -1.134 802 3HB ALA 104 HB2 ALA 104 24.066 -2.330 -2.330 803 H LEU 105 HN LEU 105 25.840 0.624 0.624 804 HA LEU 105 HA LEU 105 27.214 2.343 2.343 805 1HB LEU 105 HB2 LEU 105 26.806 2.936 2.936 806 2HB LEU 105 HB1 LEU 105 28.180 3.333 3.333 807 HG LEU 105 HG LEU 105 27.340 0.585 0.585 808 1HD1 LEU 105 HD11 LEU 105 28.591 2.058 2.058 809 2HD1 LEU 105 HD13 LEU 105 29.878 2.199 2.199 810 3HD1 LEU 105 HD12 LEU 105 29.519 0.633 0.633 811 1HD2 LEU 105 HD22 LEU 105 29.297 1.486 1.486 812 2HD2 LEU 105 HD21 LEU 105 28.110 0.184 0.184 813 3HD2 LEU 105 HD23 LEU 105 29.568 -0.012 -0.012 814 H GLU 106 HN GLU 106 25.109 3.630 3.630 815 HA GLU 106 HA GLU 106 24.958 6.170 6.170 816 1HB GLU 106 HB2 GLU 106 24.837 6.713 6.713 817 2HB GLU 106 HB1 GLU 106 24.326 5.103 5.103 818 1HG GLU 106 HG2 GLU 106 22.517 6.445 6.445 819 2HG GLU 106 HG1 GLU 106 22.001 5.803 5.803 820 H ALA 107 HN ALA 107 23.369 3.334 3.334 821 HA ALA 107 HA ALA 107 20.669 4.315 4.315 822 1HB ALA 107 HB1 ALA 107 22.099 1.836 1.836 823 2HB ALA 107 HB3 ALA 107 20.424 2.165 2.165 824 3HB ALA 107 HB2 ALA 107 20.881 1.980 1.980 825 H THR 108 HN THR 108 23.266 3.606 3.606 826 HA THR 108 HA THR 108 21.934 5.601 5.601 827 HB THR 108 HB THR 108 20.684 3.480 3.480 828 HG1 THR 108 HG1 THR 108 20.609 4.533 4.533 829 1HG2 THR 108 HG21 THR 108 22.909 2.179 2.179 830 2HG2 THR 108 HG23 THR 108 23.173 2.353 2.353 831 3HG2 THR 108 HG22 THR 108 21.746 1.514 1.514 832 H ASP 109 HN ASP 109 22.982 4.366 4.366 833 HA ASP 109 HA ASP 109 25.895 4.417 4.417 834 1HB ASP 109 HB2 ASP 109 25.042 6.810 6.810 835 2HB ASP 109 HB1 ASP 109 24.590 6.235 6.235 836 H ASN 110 HN ASN 110 23.143 3.057 3.057 837 HA ASN 110 HA ASN 110 24.348 2.341 2.341 838 1HB ASN 110 HB2 ASN 110 22.436 0.876 0.876 839 2HB ASN 110 HB1 ASN 110 21.835 2.406 2.406 840 1HD2 ASN 110 HD21 ASN 110 23.085 1.482 1.482 841 2HD2 ASN 110 HD22 ASN 110 21.903 0.452 0.452 842 H GLN 111 HN GLN 111 25.564 0.508 0.508 843 HA GLN 111 HA GLN 111 26.870 -0.581 -0.581 844 1HB GLN 111 HB2 GLN 111 28.129 -0.262 -0.262 845 2HB GLN 111 HB1 GLN 111 27.016 -1.230 -1.230 846 1HG GLN 111 HG2 GLN 111 27.773 -3.247 -3.247 847 2HG GLN 111 HG1 GLN 111 28.451 -2.446 -2.446 848 1HE2 GLN 111 HE21 GLN 111 29.452 -3.987 -3.987 849 2HE2 GLN 111 HE22 GLN 111 30.892 -3.146 -3.146 850 H ALA 112 HN ALA 112 23.831 -1.476 -1.476 851 HA ALA 112 HA ALA 112 24.226 -4.382 -4.382 852 1HB ALA 112 HB3 ALA 112 22.374 -3.450 -3.450 853 2HB ALA 112 HB2 ALA 112 21.652 -2.794 -2.794 854 3HB ALA 112 HB1 ALA 112 21.791 -4.539 -4.539 855 H ILE 113 HN ILE 113 22.909 -1.754 -1.754 856 HA ILE 113 HA ILE 113 22.266 -3.202 -3.202 857 HB ILE 113 HB ILE 113 22.733 -0.361 -0.361 858 1HG1 ILE 113 HG12 ILE 113 20.477 -0.166 -0.166 859 2HG1 ILE 113 HG11 ILE 113 20.462 -1.925 -1.925 860 1HG2 ILE 113 HG22 ILE 113 22.809 -1.376 -1.376 861 2HG2 ILE 113 HG21 ILE 113 22.197 0.239 0.239 862 3HG2 ILE 113 HG23 ILE 113 23.850 -0.190 -0.190 863 1HD1 ILE 113 HD13 ILE 113 21.082 -1.407 -1.407 864 2HD1 ILE 113 HD12 ILE 113 20.158 0.045 0.045 865 3HD1 ILE 113 HD11 ILE 113 19.420 -1.541 -1.541 866 H LYS 114 HN LYS 114 24.927 -1.132 -1.132 867 HA LYS 114 HA LYS 114 26.552 -1.471 -1.471 868 1HB LYS 114 HB2 LYS 114 27.557 -1.183 -1.183 869 2HB LYS 114 HB1 LYS 114 28.353 -0.637 -0.637 870 1HG LYS 114 HG2 LYS 114 25.650 0.395 0.395 871 2HG LYS 114 HG1 LYS 114 27.159 1.194 1.194 872 1HD LYS 114 HD2 LYS 114 27.662 1.255 1.255 873 2HD LYS 114 HD1 LYS 114 26.001 0.726 0.726 874 1HE LYS 114 HE2 LYS 114 25.833 3.071 3.071 875 2HE LYS 114 HE1 LYS 114 25.357 2.725 2.725 876 1HZ LYS 114 HZ1 LYS 114 28.114 3.441 3.441 877 2HZ LYS 114 HZ3 LYS 114 26.992 4.546 4.546 878 3HZ LYS 114 HZ2 LYS 114 27.544 3.258 3.258 879 H ALA 115 HN ALA 115 25.514 -3.732 -3.732 880 HA ALA 115 HA ALA 115 27.777 -5.479 -5.479 881 1HB ALA 115 HB2 ALA 115 25.647 -5.604 -5.604 882 2HB ALA 115 HB1 ALA 115 24.934 -6.474 -6.474 883 3HB ALA 115 HB3 ALA 115 26.356 -7.123 -7.123 884 H LEU 116 HN LEU 116 25.109 -4.988 -4.988 885 HA LEU 116 HA LEU 116 25.777 -7.356 -7.356 886 1HB LEU 116 HB2 LEU 116 23.928 -5.078 -5.078 887 2HB LEU 116 HB1 LEU 116 24.594 -5.615 -5.615 888 HG LEU 116 HG LEU 116 23.127 -7.339 -7.339 889 1HD1 LEU 116 HD12 LEU 116 22.422 -6.247 -6.247 890 2HD1 LEU 116 HD11 LEU 116 21.555 -7.594 -7.594 891 3HD1 LEU 116 HD13 LEU 116 21.559 -6.014 -6.014 892 1HD2 LEU 116 HD23 LEU 116 24.847 -8.017 -8.017 893 2HD2 LEU 116 HD22 LEU 116 24.418 -8.986 -8.986 894 3HD2 LEU 116 HD21 LEU 116 23.292 -8.852 -8.852 895 H LEU 117 HN LEU 117 26.992 -4.077 -4.077 896 HA LEU 117 HA LEU 117 28.512 -4.388 -4.388 897 1HB LEU 117 HB2 LEU 117 28.904 -2.155 -2.155 898 2HB LEU 117 HB1 LEU 117 27.694 -2.193 -2.193 899 HG LEU 117 HG LEU 117 29.720 -2.747 -2.747 900 1HD1 LEU 117 HD12 LEU 117 31.069 -2.469 -2.469 901 2HD1 LEU 117 HD11 LEU 117 31.475 -1.053 -1.053 902 3HD1 LEU 117 HD13 LEU 117 31.788 -2.662 -2.662 903 1HD2 LEU 117 HD21 LEU 117 28.311 -0.590 -0.590 904 2HD2 LEU 117 HD23 LEU 117 29.902 -0.442 -0.442 905 3HD2 LEU 117 HD22 LEU 117 29.663 0.025 0.025 906 H GLN 118 HN GLN 118 28.628 -5.820 -5.820 907 HA GLN 118 HA GLN 118 31.405 -5.746 -5.746 908 1HB GLN 118 HB2 GLN 118 29.428 -6.407 -6.407 909 2HB GLN 118 HB1 GLN 118 29.425 -7.926 -7.926 910 1HG GLN 118 HG2 GLN 118 31.681 -8.377 -8.377 911 2HG GLN 118 HG1 GLN 118 31.784 -6.826 -6.826 912 1HE2 GLN 118 HE21 GLN 118 28.849 -8.790 -8.790 913 2HE2 GLN 118 HE22 GLN 118 28.923 -9.211 -9.211 Start of MODEL 4 1 1H MET 1 HT3 MET 1 -9.610 -11.520 -11.520 2 2H MET 1 HT2 MET 1 -10.435 -10.943 -10.943 3 3H MET 1 HT1 MET 1 -9.110 -10.081 -10.081 4 HA MET 1 HA MET 1 -10.699 -8.836 -8.836 5 1HB MET 1 HB2 MET 1 -12.410 -10.353 -10.353 6 2HB MET 1 HB1 MET 1 -12.553 -11.197 -11.197 7 1HG MET 1 HG2 MET 1 -13.200 -9.130 -9.130 8 2HG MET 1 HG1 MET 1 -12.940 -8.210 -8.210 9 1HE MET 1 HE2 MET 1 -14.021 -9.069 -9.069 10 2HE MET 1 HE1 MET 1 -15.775 -8.897 -8.897 11 3HE MET 1 HE3 MET 1 -14.753 -7.635 -7.635 12 H CYS 2 HN CYS 2 -8.600 -10.242 -10.242 13 HA CYS 2 HA CYS 2 -9.682 -10.282 -10.282 14 1HB CYS 2 HB2 CYS 2 -8.322 -12.638 -12.638 15 2HB CYS 2 HB1 CYS 2 -8.376 -12.448 -12.448 16 HG CYS 2 HG CYS 2 -11.071 -12.380 -12.380 17 H ASP 3 HN ASP 3 -7.688 -8.831 -8.831 18 HA ASP 3 HA ASP 3 -5.030 -9.173 -9.173 19 1HB ASP 3 HB2 ASP 3 -4.921 -6.584 -6.584 20 2HB ASP 3 HB1 ASP 3 -5.468 -7.454 -7.454 21 H LYS 4 HN LYS 4 -7.385 -7.210 -7.210 22 HA LYS 4 HA LYS 4 -5.803 -6.319 -6.319 23 1HB LYS 4 HB2 LYS 4 -8.647 -7.349 -7.349 24 2HB LYS 4 HB1 LYS 4 -7.859 -6.236 -6.236 25 1HG LYS 4 HG2 LYS 4 -7.521 -4.640 -4.640 26 2HG LYS 4 HG1 LYS 4 -8.440 -5.731 -5.731 27 1HD LYS 4 HD2 LYS 4 -10.350 -5.546 -5.546 28 2HD LYS 4 HD1 LYS 4 -9.436 -4.278 -4.278 29 1HE LYS 4 HE2 LYS 4 -10.909 -3.159 -3.159 30 2HE LYS 4 HE1 LYS 4 -9.302 -3.089 -3.089 31 1HZ LYS 4 HZ1 LYS 4 -11.376 -5.115 -5.115 32 2HZ LYS 4 HZ3 LYS 4 -11.010 -3.761 -3.761 33 3HZ LYS 4 HZ2 LYS 4 -9.847 -4.978 -4.978 34 H GLU 5 HN GLU 5 -7.921 -9.168 -9.168 35 HA GLU 5 HA GLU 5 -6.738 -10.177 -10.177 36 1HB GLU 5 HB2 GLU 5 -8.817 -11.017 -11.017 37 2HB GLU 5 HB1 GLU 5 -7.693 -11.996 -11.996 38 1HG GLU 5 HG2 GLU 5 -6.787 -12.856 -12.856 39 2HG GLU 5 HG1 GLU 5 -8.194 -12.102 -12.102 40 H PHE 6 HN PHE 6 -5.562 -10.433 -10.433 41 HA PHE 6 HA PHE 6 -3.593 -12.479 -12.479 42 1HB PHE 6 HB2 PHE 6 -4.374 -12.204 -12.204 43 2HB PHE 6 HB1 PHE 6 -3.825 -10.530 -10.530 44 HD1 PHE 6 HD2 PHE 6 -2.399 -13.886 -13.886 45 HD2 PHE 6 HD1 PHE 6 -1.825 -10.161 -10.161 46 HE1 PHE 6 HE2 PHE 6 -0.155 -14.638 -14.638 47 HE2 PHE 6 HE1 PHE 6 0.419 -10.914 -10.914 48 HZ PHE 6 HZ PHE 6 1.254 -13.151 -13.151 49 H MET 7 HN MET 7 -3.080 -9.027 -9.027 50 HA MET 7 HA MET 7 -0.380 -8.962 -8.962 51 1HB MET 7 HB2 MET 7 -0.455 -6.670 -6.670 52 2HB MET 7 HB1 MET 7 -1.843 -7.196 -7.196 53 1HG MET 7 HG2 MET 7 -3.283 -6.756 -6.756 54 2HG MET 7 HG1 MET 7 -1.868 -6.036 -6.036 55 1HE MET 7 HE3 MET 7 -4.016 -6.305 -6.305 56 2HE MET 7 HE2 MET 7 -4.380 -4.677 -4.677 57 3HE MET 7 HE1 MET 7 -2.916 -5.484 -5.484 58 H TRP 8 HN TRP 8 -3.324 -8.336 -8.336 59 HA TRP 8 HA TRP 8 -2.247 -7.307 -7.307 60 1HB TRP 8 HB2 TRP 8 -4.705 -7.689 -7.689 61 2HB TRP 8 HB1 TRP 8 -4.488 -9.325 -9.325 62 HD1 TRP 8 HD1 TRP 8 -4.464 -9.659 -9.659 63 HE1 TRP 8 HE1 TRP 8 -4.724 -8.080 -8.080 64 HE3 TRP 8 HE3 TRP 8 -4.169 -5.148 -5.148 65 HZ2 TRP 8 HZ2 TRP 8 -4.798 -5.270 -5.270 66 HZ3 TRP 8 HZ3 TRP 8 -4.335 -3.037 -3.037 67 HH2 TRP 8 HH2 TRP 8 -4.649 -3.093 -3.093 68 H ALA 9 HN ALA 9 -1.622 -10.409 -10.409 69 HA ALA 9 HA ALA 9 -1.170 -11.654 -11.654 70 1HB ALA 9 HB1 ALA 9 -0.745 -12.642 -12.642 71 2HB ALA 9 HB3 ALA 9 -0.357 -13.594 -13.594 72 3HB ALA 9 HB2 ALA 9 -2.023 -13.112 -13.112 73 H LEU 10 HN LEU 10 0.767 -10.497 -10.497 74 HA LEU 10 HA LEU 10 3.318 -11.231 -11.231 75 1HB LEU 10 HB2 LEU 10 2.640 -8.955 -8.955 76 2HB LEU 10 HB1 LEU 10 4.232 -9.677 -9.677 77 HG LEU 10 HG LEU 10 2.710 -11.901 -11.901 78 1HD1 LEU 10 HD11 LEU 10 0.742 -10.494 -10.494 79 2HD1 LEU 10 HD13 LEU 10 1.684 -9.636 -9.636 80 3HD1 LEU 10 HD12 LEU 10 1.310 -11.346 -11.346 81 1HD2 LEU 10 HD23 LEU 10 4.910 -11.174 -11.174 82 2HD2 LEU 10 HD22 LEU 10 3.808 -11.893 -11.893 83 3HD2 LEU 10 HD21 LEU 10 4.007 -10.140 -10.140 84 H LYS 11 HN LYS 11 1.057 -9.363 -9.363 85 HA LYS 11 HA LYS 11 2.697 -7.087 -7.087 86 1HB LYS 11 HB2 LYS 11 0.387 -6.678 -6.678 87 2HB LYS 11 HB1 LYS 11 -0.137 -7.968 -7.968 88 1HG LYS 11 HG2 LYS 11 0.538 -6.750 -6.750 89 2HG LYS 11 HG1 LYS 11 1.407 -5.557 -5.557 90 1HD LYS 11 HD2 LYS 11 -0.594 -4.639 -4.639 91 2HD LYS 11 HD1 LYS 11 -1.555 -6.025 -6.025 92 1HE LYS 11 HE2 LYS 11 -1.817 -3.973 -3.973 93 2HE LYS 11 HE1 LYS 11 -1.312 -5.421 -5.421 94 1HZ LYS 11 HZ3 LYS 11 0.864 -3.867 -3.867 95 2HZ LYS 11 HZ2 LYS 11 -0.053 -3.044 -3.044 96 3HZ LYS 11 HZ1 LYS 11 0.666 -4.537 -4.537 97 H ASN 12 HN ASN 12 0.529 -8.988 -8.988 98 HA ASN 12 HA ASN 12 2.421 -8.752 -8.752 99 1HB ASN 12 HB2 ASN 12 -0.152 -8.557 -8.557 100 2HB ASN 12 HB1 ASN 12 -0.151 -10.318 -10.318 101 1HD2 ASN 12 HD21 ASN 12 1.136 -7.524 -7.524 102 2HD2 ASN 12 HD22 ASN 12 1.251 -8.359 -8.359 103 H GLY 13 HN GLY 13 2.731 -10.764 -10.764 104 1HA GLY 13 HA2 GLY 13 4.054 -12.724 -12.724 105 2HA GLY 13 HA1 GLY 13 3.901 -12.828 -12.828 106 H ASP 14 HN ASP 14 0.979 -12.485 -12.485 107 HA ASP 14 HA ASP 14 -0.018 -14.996 -14.996 108 1HB ASP 14 HB2 ASP 14 -1.228 -13.738 -13.738 109 2HB ASP 14 HB1 ASP 14 -1.994 -14.490 -14.490 110 H LEU 15 HN LEU 15 2.315 -15.505 -15.505 111 HA LEU 15 HA LEU 15 2.820 -16.161 -16.161 112 1HB LEU 15 HB2 LEU 15 4.395 -16.382 -16.382 113 2HB LEU 15 HB1 LEU 15 3.495 -17.767 -17.767 114 HG LEU 15 HG LEU 15 5.620 -18.220 -18.220 115 1HD1 LEU 15 HD12 LEU 15 3.230 -19.635 -19.635 116 2HD1 LEU 15 HD11 LEU 15 3.583 -19.723 -19.723 117 3HD1 LEU 15 HD13 LEU 15 4.770 -20.289 -20.289 118 1HD2 LEU 15 HD21 LEU 15 4.886 -16.506 -16.506 119 2HD2 LEU 15 HD23 LEU 15 5.560 -18.032 -18.032 120 3HD2 LEU 15 HD22 LEU 15 3.820 -17.782 -17.782 121 H ASP 16 HN ASP 16 0.632 -17.771 -17.771 122 HA ASP 16 HA ASP 16 0.315 -20.201 -20.201 123 1HB ASP 16 HB2 ASP 16 -1.777 -18.848 -18.848 124 2HB ASP 16 HB1 ASP 16 -1.583 -20.570 -20.570 125 H GLU 17 HN GLU 17 -1.043 -16.986 -16.986 126 HA GLU 17 HA GLU 17 -3.187 -17.788 -17.788 127 1HB GLU 17 HB2 GLU 17 -2.105 -15.197 -15.197 128 2HB GLU 17 HB1 GLU 17 -3.143 -15.171 -15.171 129 1HG GLU 17 HG2 GLU 17 -3.941 -16.675 -16.675 130 2HG GLU 17 HG1 GLU 17 -4.287 -14.955 -14.955 131 H VAL 18 HN VAL 18 -0.033 -16.127 -16.127 132 HA VAL 18 HA VAL 18 -0.337 -15.870 -15.870 133 HB VAL 18 HB VAL 18 2.390 -16.112 -16.112 134 1HG1 VAL 18 HG12 VAL 18 0.894 -14.166 -14.166 135 2HG1 VAL 18 HG11 VAL 18 1.019 -13.561 -13.561 136 3HG1 VAL 18 HG13 VAL 18 2.472 -13.793 -13.793 137 1HG2 VAL 18 HG21 VAL 18 1.709 -16.545 -16.545 138 2HG2 VAL 18 HG23 VAL 18 3.056 -15.475 -15.475 139 3HG2 VAL 18 HG22 VAL 18 1.479 -14.800 -14.800 140 H LYS 19 HN LYS 19 0.980 -18.359 -18.359 141 HA LYS 19 HA LYS 19 2.135 -20.048 -20.048 142 1HB LYS 19 HB2 LYS 19 2.313 -20.264 -20.264 143 2HB LYS 19 HB1 LYS 19 0.684 -20.928 -20.928 144 1HG LYS 19 HG2 LYS 19 1.339 -22.875 -22.875 145 2HG LYS 19 HG1 LYS 19 2.807 -22.125 -22.125 146 1HD LYS 19 HD2 LYS 19 2.454 -22.433 -22.433 147 2HD LYS 19 HD1 LYS 19 2.977 -23.815 -23.815 148 1HE LYS 19 HE2 LYS 19 4.407 -21.290 -21.290 149 2HE LYS 19 HE1 LYS 19 4.691 -21.934 -21.934 150 1HZ LYS 19 HZ2 LYS 19 4.946 -24.154 -24.154 151 2HZ LYS 19 HZ1 LYS 19 5.308 -23.117 -23.117 152 3HZ LYS 19 HZ3 LYS 19 6.248 -23.068 -23.068 153 H ASP 20 HN ASP 20 -1.202 -19.579 -19.579 154 HA ASP 20 HA ASP 20 -2.266 -21.950 -21.950 155 1HB ASP 20 HB2 ASP 20 -3.521 -20.465 -20.465 156 2HB ASP 20 HB1 ASP 20 -3.622 -19.255 -19.255 157 H TYR 21 HN TYR 21 -2.089 -18.613 -18.613 158 HA TYR 21 HA TYR 21 -3.044 -19.331 -19.331 159 1HB TYR 21 HB2 TYR 21 -1.317 -17.040 -17.040 160 2HB TYR 21 HB1 TYR 21 -1.866 -17.185 -17.185 161 HD1 TYR 21 HD1 TYR 21 -3.027 -16.918 -16.918 162 HD2 TYR 21 HD2 TYR 21 -4.100 -16.633 -16.633 163 HE1 TYR 21 HE1 TYR 21 -5.217 -15.938 -15.938 164 HE2 TYR 21 HE2 TYR 21 -6.288 -15.654 -15.654 165 HH TYR 21 HH TYR 21 -7.032 -14.233 -14.233 166 H VAL 22 HN VAL 22 0.274 -18.938 -18.938 167 HA VAL 22 HA VAL 22 1.528 -19.740 -19.740 168 HB VAL 22 HB VAL 22 2.544 -19.537 -19.537 169 1HG1 VAL 22 HG12 VAL 22 3.963 -20.266 -20.266 170 2HG1 VAL 22 HG11 VAL 22 4.816 -19.597 -19.597 171 3HG1 VAL 22 HG13 VAL 22 3.970 -21.136 -21.136 172 1HG2 VAL 22 HG21 VAL 22 1.868 -17.454 -17.454 173 2HG2 VAL 22 HG23 VAL 22 3.586 -17.498 -17.498 174 3HG2 VAL 22 HG22 VAL 22 3.041 -17.842 -17.842 175 H ALA 23 HN ALA 23 0.177 -21.485 -21.485 176 HA ALA 23 HA ALA 23 1.645 -23.916 -23.916 177 1HB ALA 23 HB1 ALA 23 -1.073 -23.210 -23.210 178 2HB ALA 23 HB3 ALA 23 -0.642 -24.907 -24.907 179 3HB ALA 23 HB2 ALA 23 0.319 -23.875 -23.875 180 H LYS 24 HN LYS 24 -0.741 -22.434 -22.434 181 HA LYS 24 HA LYS 24 -1.874 -24.674 -24.674 182 1HB LYS 24 HB2 LYS 24 -1.384 -21.823 -21.823 183 2HB LYS 24 HB1 LYS 24 -1.863 -22.949 -22.949 184 1HG LYS 24 HG2 LYS 24 -3.837 -21.861 -21.861 185 2HG LYS 24 HG1 LYS 24 -3.846 -23.599 -23.599 186 1HD LYS 24 HD2 LYS 24 -2.951 -23.244 -23.244 187 2HD LYS 24 HD1 LYS 24 -2.821 -21.512 -21.512 188 1HE LYS 24 HE2 LYS 24 -5.392 -23.118 -23.118 189 2HE LYS 24 HE1 LYS 24 -4.857 -22.009 -22.009 190 1HZ LYS 24 HZ3 LYS 24 -4.689 -20.499 -20.499 191 2HZ LYS 24 HZ2 LYS 24 -6.064 -21.443 -21.443 192 3HZ LYS 24 HZ1 LYS 24 -5.993 -20.491 -20.491 193 H GLY 25 HN GLY 25 0.587 -22.644 -22.644 194 1HA GLY 25 HA2 GLY 25 2.397 -24.842 -24.842 195 2HA GLY 25 HA1 GLY 25 1.426 -24.543 -24.543 196 H GLU 26 HN GLU 26 3.844 -23.211 -23.211 197 HA GLU 26 HA GLU 26 5.129 -21.222 -21.222 198 1HB GLU 26 HB2 GLU 26 6.436 -21.382 -21.382 199 2HB GLU 26 HB1 GLU 26 6.607 -22.683 -22.683 200 1HG GLU 26 HG2 GLU 26 4.954 -24.029 -24.029 201 2HG GLU 26 HG1 GLU 26 4.685 -22.713 -22.713 202 H ASP 27 HN ASP 27 3.930 -19.382 -19.382 203 HA ASP 27 HA ASP 27 3.417 -18.228 -18.228 204 1HB ASP 27 HB2 ASP 27 1.276 -19.260 -19.260 205 2HB ASP 27 HB1 ASP 27 1.375 -17.900 -17.900 206 H VAL 28 HN VAL 28 5.368 -17.955 -17.955 207 HA VAL 28 HA VAL 28 4.771 -15.338 -15.338 208 HB VAL 28 HB VAL 28 6.991 -15.650 -15.650 209 1HG1 VAL 28 HG11 VAL 28 5.151 -18.060 -18.060 210 2HG1 VAL 28 HG13 VAL 28 6.370 -17.699 -17.699 211 3HG1 VAL 28 HG12 VAL 28 4.999 -16.614 -16.614 212 1HG2 VAL 28 HG23 VAL 28 7.441 -17.365 -17.365 213 2HG2 VAL 28 HG22 VAL 28 8.527 -17.092 -17.092 214 3HG2 VAL 28 HG21 VAL 28 7.368 -18.420 -18.420 215 H ASN 29 HN ASN 29 4.645 -14.239 -14.239 216 HA ASN 29 HA ASN 29 7.024 -12.809 -12.809 217 1HB ASN 29 HB2 ASN 29 7.166 -13.717 -13.717 218 2HB ASN 29 HB1 ASN 29 7.913 -14.667 -14.667 219 1HD2 ASN 29 HD21 ASN 29 6.501 -16.485 -16.485 220 2HD2 ASN 29 HD22 ASN 29 5.411 -17.242 -17.242 221 H ARG 30 HN ARG 30 3.730 -13.554 -13.554 222 HA ARG 30 HA ARG 30 3.218 -11.782 -11.782 223 1HB ARG 30 HB2 ARG 30 0.819 -11.873 -11.873 224 2HB ARG 30 HB1 ARG 30 1.486 -13.321 -13.321 225 1HG ARG 30 HG2 ARG 30 2.003 -14.309 -14.309 226 2HG ARG 30 HG1 ARG 30 1.949 -12.775 -12.775 227 1HD ARG 30 HD2 ARG 30 -0.070 -14.479 -14.479 228 2HD ARG 30 HD1 ARG 30 -0.377 -12.746 -12.746 229 HE ARG 30 HE ARG 30 -0.364 -13.577 -13.577 230 1HH1 ARG 30 HH21 ARG 30 -1.959 -14.516 -14.516 231 2HH1 ARG 30 HH22 ARG 30 -3.400 -15.045 -15.045 232 1HH2 ARG 30 HH11 ARG 30 -2.239 -14.266 -14.266 233 2HH2 ARG 30 HH12 ARG 30 -3.557 -14.907 -14.907 234 H THR 31 HN THR 31 2.314 -9.698 -9.698 235 HA THR 31 HA THR 31 3.447 -7.948 -7.948 236 HB THR 31 HB THR 31 0.902 -7.260 -7.260 237 HG1 THR 31 HG1 THR 31 3.432 -7.019 -7.019 238 1HG2 THR 31 HG22 THR 31 2.168 -5.699 -5.699 239 2HG2 THR 31 HG21 THR 31 3.414 -5.629 -5.629 240 3HG2 THR 31 HG23 THR 31 1.784 -5.058 -5.058 241 H LEU 32 HN LEU 32 2.509 -6.860 -6.860 242 HA LEU 32 HA LEU 32 0.675 -8.493 -8.493 243 1HB LEU 32 HB2 LEU 32 2.597 -7.072 -7.072 244 2HB LEU 32 HB1 LEU 32 1.565 -5.681 -5.681 245 HG LEU 32 HG LEU 32 -0.012 -7.628 -7.628 246 1HD1 LEU 32 HD13 LEU 32 2.754 -7.241 -7.241 247 2HD1 LEU 32 HD12 LEU 32 1.381 -7.839 -7.839 248 3HD1 LEU 32 HD11 LEU 32 1.989 -8.764 -8.764 249 1HD2 LEU 32 HD21 LEU 32 1.280 -5.003 -5.003 250 2HD2 LEU 32 HD23 LEU 32 -0.393 -5.291 -5.291 251 3HD2 LEU 32 HD22 LEU 32 0.195 -5.874 -5.874 252 H GLU 33 HN GLU 33 0.064 -5.181 -5.181 253 HA GLU 33 HA GLU 33 -2.744 -5.520 -5.520 254 1HB GLU 33 HB2 GLU 33 -2.509 -4.100 -4.100 255 2HB GLU 33 HB1 GLU 33 -1.003 -3.420 -3.420 256 1HG GLU 33 HG2 GLU 33 -2.945 -1.809 -1.809 257 2HG GLU 33 HG1 GLU 33 -2.177 -2.025 -2.025 258 H GLY 34 HN GLY 34 -0.045 -3.749 -3.749 259 1HA GLY 34 HA2 GLY 34 -1.425 -3.903 -3.903 260 2HA GLY 34 HA1 GLY 34 -1.520 -2.278 -2.278 261 H GLY 35 HN GLY 35 1.240 -2.771 -2.771 262 1HA GLY 35 HA2 GLY 35 3.001 -3.027 -3.027 263 2HA GLY 35 HA1 GLY 35 2.858 -1.374 -1.374 264 H ARG 36 HN ARG 36 2.615 -3.966 -3.966 265 HA ARG 36 HA ARG 36 5.424 -3.390 -3.390 266 1HB ARG 36 HB2 ARG 36 3.310 -4.087 -4.087 267 2HB ARG 36 HB1 ARG 36 4.777 -3.136 -3.136 268 1HG ARG 36 HG2 ARG 36 3.543 -1.529 -1.529 269 2HG ARG 36 HG1 ARG 36 2.108 -2.294 -2.294 270 1HD ARG 36 HD2 ARG 36 2.764 -0.193 -0.193 271 2HD ARG 36 HD1 ARG 36 2.732 -1.609 -1.609 272 HE ARG 36 HE ARG 36 5.364 -1.498 -1.498 273 1HH1 ARG 36 HH21 ARG 36 3.107 0.673 0.673 274 2HH1 ARG 36 HH22 ARG 36 4.313 1.581 1.581 275 1HH2 ARG 36 HH11 ARG 36 6.959 -0.326 -0.326 276 2HH2 ARG 36 HH12 ARG 36 6.489 1.016 1.016 277 H LYS 37 HN LYS 37 5.814 -5.192 -5.192 278 HA LYS 37 HA LYS 37 5.054 -7.854 -7.854 279 1HB LYS 37 HB2 LYS 37 7.372 -6.875 -6.875 280 2HB LYS 37 HB1 LYS 37 7.875 -7.293 -7.293 281 1HG LYS 37 HG2 LYS 37 6.479 -9.353 -9.353 282 2HG LYS 37 HG1 LYS 37 8.189 -9.033 -9.033 283 1HD LYS 37 HD2 LYS 37 8.731 -9.633 -9.633 284 2HD LYS 37 HD1 LYS 37 7.055 -9.602 -9.602 285 1HE LYS 37 HE2 LYS 37 6.564 -11.640 -11.640 286 2HE LYS 37 HE1 LYS 37 7.869 -11.471 -11.471 287 1HZ LYS 37 HZ3 LYS 37 9.277 -11.519 -11.519 288 2HZ LYS 37 HZ2 LYS 37 7.940 -12.419 -12.419 289 3HZ LYS 37 HZ1 LYS 37 8.828 -12.938 -12.938 290 HA PRO 38 HA PRO 38 4.180 -8.579 -8.579 291 1HB PRO 38 HB2 PRO 38 4.547 -11.413 -11.413 292 2HB PRO 38 HB1 PRO 38 3.027 -10.511 -10.511 293 1HG PRO 38 HG2 PRO 38 4.278 -11.768 -11.768 294 2HG PRO 38 HG1 PRO 38 2.710 -10.953 -10.953 295 1HD PRO 38 HD2 PRO 38 5.081 -10.006 -10.006 296 2HD PRO 38 HD1 PRO 38 3.558 -9.132 -9.132 297 H LEU 39 HN LEU 39 7.225 -8.552 -8.552 298 HA LEU 39 HA LEU 39 8.358 -10.145 -10.145 299 1HB LEU 39 HB2 LEU 39 9.246 -10.507 -10.507 300 2HB LEU 39 HB1 LEU 39 9.812 -8.849 -8.849 301 HG LEU 39 HG LEU 39 11.526 -9.286 -9.286 302 1HD1 LEU 39 HD13 LEU 39 9.905 -11.665 -11.665 303 2HD1 LEU 39 HD12 LEU 39 11.554 -11.334 -11.334 304 3HD1 LEU 39 HD11 LEU 39 10.275 -10.193 -10.193 305 1HD2 LEU 39 HD22 LEU 39 11.530 -10.804 -10.804 306 2HD2 LEU 39 HD21 LEU 39 12.744 -11.057 -11.057 307 3HD2 LEU 39 HD23 LEU 39 11.334 -12.112 -12.112 308 H HIS 40 HN HIS 40 7.692 -6.956 -6.956 309 HA HIS 40 HA HIS 40 9.696 -5.582 -5.582 310 1HB HIS 40 HB2 HIS 40 8.675 -4.477 -4.477 311 2HB HIS 40 HB1 HIS 40 7.073 -4.651 -4.651 312 HD1 HIS 40 HD1 HIS 40 10.303 -2.747 -2.747 313 HD2 HIS 40 HD2 HIS 40 6.441 -2.742 -2.742 314 HE1 HIS 40 HE1 HIS 40 10.084 -0.618 -0.618 315 H TYR 41 HN TYR 41 6.254 -6.391 -6.391 316 HA TYR 41 HA TYR 41 6.046 -5.158 -5.158 317 1HB TYR 41 HB2 TYR 41 4.370 -7.480 -7.480 318 2HB TYR 41 HB1 TYR 41 3.908 -6.176 -6.176 319 HD1 TYR 41 HD1 TYR 41 4.900 -6.895 -6.895 320 HD2 TYR 41 HD2 TYR 41 3.018 -4.159 -4.159 321 HE1 TYR 41 HE1 TYR 41 4.127 -5.524 -5.524 322 HE2 TYR 41 HE2 TYR 41 2.244 -2.796 -2.796 323 HH TYR 41 HH TYR 41 3.440 -2.794 -2.794 324 H ALA 42 HN ALA 42 6.678 -8.447 -8.447 325 HA ALA 42 HA ALA 42 6.805 -9.725 -9.725 326 1HB ALA 42 HB2 ALA 42 6.979 -10.631 -10.631 327 2HB ALA 42 HB1 ALA 42 8.694 -10.577 -10.577 328 3HB ALA 42 HB3 ALA 42 7.602 -11.554 -11.554 329 H ALA 43 HN ALA 43 9.360 -8.488 -8.488 330 HA ALA 43 HA ALA 43 11.527 -8.759 -8.759 331 1HB ALA 43 HB2 ALA 43 10.984 -6.619 -6.619 332 2HB ALA 43 HB1 ALA 43 12.550 -6.893 -6.893 333 3HB ALA 43 HB3 ALA 43 11.839 -8.139 -8.139 334 H ASP 44 HN ASP 44 9.639 -5.784 -5.784 335 HA ASP 44 HA ASP 44 10.671 -4.250 -4.250 336 1HB ASP 44 HB2 ASP 44 7.980 -4.152 -4.152 337 2HB ASP 44 HB1 ASP 44 8.529 -2.931 -2.931 338 H CYS 45 HN CYS 45 7.927 -6.532 -6.532 339 HA CYS 45 HA CYS 45 8.130 -6.629 -6.629 340 1HB CYS 45 HB2 CYS 45 5.516 -5.753 -5.753 341 2HB CYS 45 HB1 CYS 45 5.848 -5.932 -5.932 342 HG CYS 45 HG CYS 45 6.136 -3.377 -3.377 343 H GLY 46 HN GLY 46 8.688 -8.780 -8.780 344 1HA GLY 46 HA2 GLY 46 6.167 -10.351 -10.351 345 2HA GLY 46 HA1 GLY 46 7.702 -10.734 -10.734 346 H GLN 47 HN GLN 47 7.622 -9.755 -9.755 347 HA GLN 47 HA GLN 47 8.352 -10.990 -10.990 348 1HB GLN 47 HB2 GLN 47 6.074 -12.103 -12.103 349 2HB GLN 47 HB1 GLN 47 7.106 -13.429 -13.429 350 1HG GLN 47 HG2 GLN 47 6.578 -14.010 -14.010 351 2HG GLN 47 HG1 GLN 47 8.129 -13.202 -13.202 352 1HE2 GLN 47 HE21 GLN 47 4.949 -11.625 -11.625 353 2HE2 GLN 47 HE22 GLN 47 4.929 -10.764 -10.764 354 H LEU 48 HN LEU 48 9.551 -11.101 -11.101 355 HA LEU 48 HA LEU 48 11.495 -11.801 -11.801 356 1HB LEU 48 HB2 LEU 48 12.054 -12.605 -12.605 357 2HB LEU 48 HB1 LEU 48 13.225 -12.789 -12.789 358 HG LEU 48 HG LEU 48 13.829 -10.642 -10.642 359 1HD1 LEU 48 HD11 LEU 48 10.967 -9.920 -9.920 360 2HD1 LEU 48 HD13 LEU 48 12.327 -8.807 -8.807 361 3HD1 LEU 48 HD12 LEU 48 12.286 -10.115 -10.115 362 1HD2 LEU 48 HD21 LEU 48 11.432 -10.481 -10.481 363 2HD2 LEU 48 HD23 LEU 48 13.112 -10.748 -10.748 364 3HD2 LEU 48 HD22 LEU 48 12.612 -9.182 -9.182 365 H GLU 49 HN GLU 49 9.246 -13.930 -13.930 366 HA GLU 49 HA GLU 49 10.779 -16.297 -16.297 367 1HB GLU 49 HB2 GLU 49 8.371 -17.363 -17.363 368 2HB GLU 49 HB1 GLU 49 9.590 -17.118 -17.118 369 1HG GLU 49 HG2 GLU 49 8.594 -15.026 -15.026 370 2HG GLU 49 HG1 GLU 49 7.463 -15.091 -15.091 371 H ILE 50 HN ILE 50 8.065 -14.221 -14.221 372 HA ILE 50 HA ILE 50 6.949 -15.637 -15.637 373 HB ILE 50 HB ILE 50 7.025 -12.651 -12.651 374 1HG1 ILE 50 HG12 ILE 50 5.849 -14.782 -14.782 375 2HG1 ILE 50 HG11 ILE 50 5.909 -13.064 -13.064 376 1HG2 ILE 50 HG23 ILE 50 6.200 -13.374 -13.374 377 2HG2 ILE 50 HG22 ILE 50 5.043 -14.440 -14.440 378 3HG2 ILE 50 HG21 ILE 50 4.898 -12.694 -12.694 379 1HD1 ILE 50 HD11 ILE 50 3.914 -14.135 -14.135 380 2HD1 ILE 50 HD13 ILE 50 3.587 -14.223 -14.223 381 3HD1 ILE 50 HD12 ILE 50 3.850 -12.664 -12.664 382 H LEU 51 HN LEU 51 9.543 -13.195 -13.195 383 HA LEU 51 HA LEU 51 9.689 -13.026 -13.026 384 1HB LEU 51 HB2 LEU 51 12.317 -12.634 -12.634 385 2HB LEU 51 HB1 LEU 51 11.115 -11.368 -11.368 386 HG LEU 51 HG LEU 51 12.345 -11.201 -11.201 387 1HD1 LEU 51 HD11 LEU 51 9.536 -11.362 -11.362 388 2HD1 LEU 51 HD13 LEU 51 9.995 -12.199 -12.199 389 3HD1 LEU 51 HD12 LEU 51 10.513 -10.542 -10.542 390 1HD2 LEU 51 HD23 LEU 51 12.807 -13.758 -13.758 391 2HD2 LEU 51 HD22 LEU 51 12.676 -12.914 -12.914 392 3HD2 LEU 51 HD21 LEU 51 11.311 -13.861 -13.861 393 H GLU 52 HN GLU 52 11.634 -14.986 -14.986 394 HA GLU 52 HA GLU 52 13.072 -16.439 -16.439 395 1HB GLU 52 HB2 GLU 52 12.702 -16.562 -16.562 396 2HB GLU 52 HB1 GLU 52 12.279 -18.163 -18.163 397 1HG GLU 52 HG2 GLU 52 14.840 -16.678 -16.678 398 2HG GLU 52 HG1 GLU 52 14.693 -17.997 -17.997 399 H PHE 53 HN PHE 53 9.771 -16.883 -16.883 400 HA PHE 53 HA PHE 53 9.318 -19.473 -19.473 401 1HB PHE 53 HB2 PHE 53 7.673 -18.571 -18.571 402 2HB PHE 53 HB1 PHE 53 7.418 -17.167 -17.167 403 HD1 PHE 53 HD1 PHE 53 7.552 -20.890 -20.890 404 HD2 PHE 53 HD2 PHE 53 5.386 -17.233 -17.233 405 HE1 PHE 53 HE1 PHE 53 5.839 -22.126 -22.126 406 HE2 PHE 53 HE2 PHE 53 3.665 -18.477 -18.477 407 HZ PHE 53 HZ PHE 53 3.895 -20.924 -20.924 408 H LEU 54 HN LEU 54 7.591 -16.775 -16.775 409 HA LEU 54 HA LEU 54 7.364 -18.090 -18.090 410 1HB LEU 54 HB2 LEU 54 7.167 -15.503 -15.503 411 2HB LEU 54 HB1 LEU 54 5.860 -16.397 -16.397 412 HG LEU 54 HG LEU 54 6.508 -15.506 -15.506 413 1HD1 LEU 54 HD13 LEU 54 8.665 -14.194 -14.194 414 2HD1 LEU 54 HD12 LEU 54 8.120 -13.492 -13.492 415 3HD1 LEU 54 HD11 LEU 54 8.826 -15.105 -15.105 416 1HD2 LEU 54 HD22 LEU 54 6.102 -13.448 -13.448 417 2HD2 LEU 54 HD21 LEU 54 4.840 -14.305 -14.305 418 3HD2 LEU 54 HD23 LEU 54 5.864 -13.140 -13.140 419 H LEU 55 HN LEU 55 10.029 -16.254 -16.254 420 HA LEU 55 HA LEU 55 11.257 -15.794 -15.794 421 1HB LEU 55 HB2 LEU 55 11.740 -14.603 -14.603 422 2HB LEU 55 HB1 LEU 55 12.828 -15.955 -15.955 423 HG LEU 55 HG LEU 55 12.921 -14.138 -14.138 424 1HD1 LEU 55 HD12 LEU 55 14.436 -14.163 -14.163 425 2HD1 LEU 55 HD11 LEU 55 15.125 -13.441 -13.441 426 3HD1 LEU 55 HD13 LEU 55 13.623 -12.806 -12.806 427 1HD2 LEU 55 HD23 LEU 55 14.475 -16.542 -16.542 428 2HD2 LEU 55 HD22 LEU 55 13.970 -16.084 -16.084 429 3HD2 LEU 55 HD21 LEU 55 15.324 -15.262 -15.262 430 H LEU 56 HN LEU 56 11.589 -18.309 -18.309 431 HA LEU 56 HA LEU 56 13.692 -19.691 -19.691 432 1HB LEU 56 HB2 LEU 56 13.541 -21.373 -21.373 433 2HB LEU 56 HB1 LEU 56 12.915 -19.991 -19.991 434 HG LEU 56 HG LEU 56 10.597 -20.906 -20.906 435 1HD1 LEU 56 HD12 LEU 56 12.013 -22.813 -22.813 436 2HD1 LEU 56 HD11 LEU 56 12.099 -23.464 -23.464 437 3HD1 LEU 56 HD13 LEU 56 10.534 -23.264 -23.264 438 1HD2 LEU 56 HD21 LEU 56 11.281 -20.558 -20.558 439 2HD2 LEU 56 HD23 LEU 56 10.169 -21.896 -21.896 440 3HD2 LEU 56 HD22 LEU 56 11.885 -22.211 -22.211 441 H LYS 57 HN LYS 57 10.205 -19.772 -19.772 442 HA LYS 57 HA LYS 57 10.067 -22.118 -22.118 443 1HB LYS 57 HB2 LYS 57 8.052 -21.056 -21.056 444 2HB LYS 57 HB1 LYS 57 8.257 -19.674 -19.674 445 1HG LYS 57 HG2 LYS 57 7.112 -20.756 -20.756 446 2HG LYS 57 HG1 LYS 57 8.319 -22.035 -22.035 447 1HD LYS 57 HD2 LYS 57 6.047 -21.922 -21.922 448 2HD LYS 57 HD1 LYS 57 5.928 -22.782 -22.782 449 1HE LYS 57 HE2 LYS 57 6.670 -24.500 -24.500 450 2HE LYS 57 HE1 LYS 57 8.214 -23.872 -23.872 451 1HZ LYS 57 HZ3 LYS 57 7.113 -22.566 -22.566 452 2HZ LYS 57 HZ2 LYS 57 7.601 -24.177 -24.177 453 3HZ LYS 57 HZ1 LYS 57 8.711 -23.022 -23.022 454 H GLY 58 HN GLY 58 9.052 -19.091 -19.091 455 1HA GLY 58 HA2 GLY 58 10.775 -19.577 -19.577 456 2HA GLY 58 HA1 GLY 58 9.668 -18.210 -18.210 457 H ALA 59 HN ALA 59 10.969 -16.340 -16.340 458 HA ALA 59 HA ALA 59 12.581 -15.645 -15.645 459 1HB ALA 59 HB1 ALA 59 14.100 -17.114 -17.114 460 2HB ALA 59 HB3 ALA 59 14.888 -15.805 -15.805 461 3HB ALA 59 HB2 ALA 59 14.263 -17.196 -17.196 462 H ASP 60 HN ASP 60 11.197 -13.845 -13.845 463 HA ASP 60 HA ASP 60 12.018 -12.345 -12.345 464 1HB ASP 60 HB2 ASP 60 9.704 -12.200 -12.200 465 2HB ASP 60 HB1 ASP 60 10.294 -11.546 -11.546 466 H ILE 61 HN ILE 61 13.557 -13.081 -13.081 467 HA ILE 61 HA ILE 61 14.499 -10.835 -10.835 468 HB ILE 61 HB ILE 61 15.059 -13.248 -13.248 469 1HG1 ILE 61 HG12 ILE 61 17.329 -11.256 -11.256 470 2HG1 ILE 61 HG11 ILE 61 16.392 -11.660 -11.660 471 1HG2 ILE 61 HG23 ILE 61 15.600 -13.596 -13.596 472 2HG2 ILE 61 HG22 ILE 61 17.179 -12.901 -12.901 473 3HG2 ILE 61 HG21 ILE 61 16.655 -14.386 -14.386 474 1HD1 ILE 61 HD13 ILE 61 17.339 -14.126 -14.126 475 2HD1 ILE 61 HD12 ILE 61 18.669 -13.099 -13.099 476 3HD1 ILE 61 HD11 ILE 61 18.136 -13.064 -13.064 477 H ASN 62 HN ASN 62 14.998 -11.727 -11.727 478 HA ASN 62 HA ASN 62 16.937 -9.487 -9.487 479 1HB ASN 62 HB2 ASN 62 18.079 -10.880 -10.880 480 2HB ASN 62 HB1 ASN 62 18.159 -11.600 -11.600 481 1HD2 ASN 62 HD21 ASN 62 16.883 -13.538 -13.538 482 2HD2 ASN 62 HD22 ASN 62 16.101 -14.381 -14.381 483 H ALA 63 HN ALA 63 14.450 -11.491 -11.491 484 HA ALA 63 HA ALA 63 13.981 -10.971 -10.971 485 1HB ALA 63 HB3 ALA 63 12.021 -10.492 -10.492 486 2HB ALA 63 HB2 ALA 63 11.538 -10.443 -10.443 487 3HB ALA 63 HB1 ALA 63 12.214 -11.921 -11.921 488 HA PRO 64 HA PRO 64 12.224 -6.275 -6.275 489 1HB PRO 64 HB2 PRO 64 14.976 -5.862 -5.862 490 2HB PRO 64 HB1 PRO 64 13.461 -5.045 -5.045 491 1HG PRO 64 HG2 PRO 64 14.584 -7.240 -7.240 492 2HG PRO 64 HG1 PRO 64 12.911 -6.668 -6.668 493 1HD PRO 64 HD2 PRO 64 13.714 -9.169 -9.169 494 2HD PRO 64 HD1 PRO 64 12.105 -8.461 -8.461 495 H ASP 65 HN ASP 65 12.349 -4.968 -4.968 496 HA ASP 65 HA ASP 65 14.763 -4.702 -4.702 497 1HB ASP 65 HB2 ASP 65 12.029 -5.671 -5.671 498 2HB ASP 65 HB1 ASP 65 13.095 -4.845 -4.845 499 H LYS 66 HN LYS 66 11.375 -3.776 -3.776 500 HA LYS 66 HA LYS 66 11.833 -1.037 -1.037 501 1HB LYS 66 HB2 LYS 66 9.709 -2.552 -2.552 502 2HB LYS 66 HB1 LYS 66 9.319 -2.014 -2.014 503 1HG LYS 66 HG2 LYS 66 9.989 -0.131 -0.131 504 2HG LYS 66 HG1 LYS 66 8.358 -0.609 -0.609 505 1HD LYS 66 HD2 LYS 66 9.216 0.159 0.159 506 2HD LYS 66 HD1 LYS 66 10.225 1.201 1.201 507 1HE LYS 66 HE2 LYS 66 8.178 2.390 2.390 508 2HE LYS 66 HE1 LYS 66 8.155 1.936 1.936 509 1HZ LYS 66 HZ3 LYS 66 7.040 -0.037 -0.037 510 2HZ LYS 66 HZ2 LYS 66 6.177 1.426 1.426 511 3HZ LYS 66 HZ1 LYS 66 6.450 0.546 0.546 512 H HIS 67 HN HIS 67 11.505 -2.838 -2.838 513 HA HIS 67 HA HIS 67 11.156 -0.524 -0.524 514 1HB HIS 67 HB2 HIS 67 12.200 -3.195 -3.195 515 2HB HIS 67 HB1 HIS 67 11.129 -2.087 -2.087 516 HD1 HIS 67 HD1 HIS 67 11.094 -4.340 -4.340 517 HD2 HIS 67 HD2 HIS 67 8.444 -2.697 -2.697 518 HE1 HIS 67 HE1 HIS 67 8.822 -5.338 -5.338 519 H HIS 68 HN HIS 68 13.680 -1.609 -1.609 520 HA HIS 68 HA HIS 68 16.030 -1.483 -1.483 521 1HB HIS 68 HB2 HIS 68 15.202 1.141 1.141 522 2HB HIS 68 HB1 HIS 68 16.743 0.798 0.798 523 HD1 HIS 68 HD1 HIS 68 16.435 -0.050 -0.050 524 HD2 HIS 68 HD2 HIS 68 13.333 2.179 2.179 525 HE1 HIS 68 HE1 HIS 68 15.065 0.834 0.834 526 H ILE 69 HN ILE 69 14.614 -2.629 -2.629 527 HA ILE 69 HA ILE 69 17.010 -2.471 -2.471 528 HB ILE 69 HB ILE 69 14.931 -0.656 -0.656 529 1HG1 ILE 69 HG12 ILE 69 17.329 -0.384 -0.384 530 2HG1 ILE 69 HG11 ILE 69 16.315 -0.066 -0.066 531 1HG2 ILE 69 HG22 ILE 69 13.663 -2.521 -2.521 532 2HG2 ILE 69 HG21 ILE 69 15.030 -2.840 -2.840 533 3HG2 ILE 69 HG23 ILE 69 14.149 -1.322 -1.322 534 1HD1 ILE 69 HD11 ILE 69 16.744 -2.676 -2.676 535 2HD1 ILE 69 HD13 ILE 69 18.197 -2.322 -2.322 536 3HD1 ILE 69 HD12 ILE 69 17.855 -1.453 -1.453 537 H THR 70 HN THR 70 17.127 -3.978 -3.978 538 HA THR 70 HA THR 70 15.208 -6.228 -6.228 539 HB THR 70 HB THR 70 17.307 -7.103 -7.103 540 HG1 THR 70 HG1 THR 70 16.855 -8.448 -8.448 541 1HG2 THR 70 HG23 THR 70 18.374 -5.131 -5.131 542 2HG2 THR 70 HG22 THR 70 19.388 -6.346 -6.346 543 3HG2 THR 70 HG21 THR 70 18.597 -5.106 -5.106 544 HA PRO 71 HA PRO 71 13.642 -5.235 -5.235 545 1HB PRO 71 HB2 PRO 71 13.462 -8.043 -8.043 546 2HB PRO 71 HB1 PRO 71 12.169 -6.902 -6.902 547 1HG PRO 71 HG2 PRO 71 12.874 -9.010 -9.010 548 2HG PRO 71 HG1 PRO 71 12.127 -7.519 -7.519 549 1HD PRO 71 HD2 PRO 71 14.973 -8.390 -8.390 550 2HD PRO 71 HD1 PRO 71 14.022 -7.402 -7.402 551 H LEU 72 HN LEU 72 16.692 -7.025 -7.025 552 HA LEU 72 HA LEU 72 16.871 -7.313 -7.313 553 1HB LEU 72 HB2 LEU 72 19.412 -6.413 -6.413 554 2HB LEU 72 HB1 LEU 72 19.073 -7.840 -7.840 555 HG LEU 72 HG LEU 72 19.631 -8.781 -8.781 556 1HD1 LEU 72 HD13 LEU 72 16.908 -8.901 -8.901 557 2HD1 LEU 72 HD12 LEU 72 16.932 -8.593 -8.593 558 3HD1 LEU 72 HD11 LEU 72 17.777 -9.981 -9.981 559 1HD2 LEU 72 HD23 LEU 72 19.894 -6.624 -6.624 560 2HD2 LEU 72 HD22 LEU 72 19.093 -7.816 -7.816 561 3HD2 LEU 72 HD21 LEU 72 18.149 -6.541 -6.541 562 H LEU 73 HN LEU 73 17.444 -4.507 -4.507 563 HA LEU 73 HA LEU 73 18.334 -2.865 -2.865 564 1HB LEU 73 HB2 LEU 73 17.194 -2.002 -2.002 565 2HB LEU 73 HB1 LEU 73 18.041 -0.961 -0.961 566 HG LEU 73 HG LEU 73 19.910 -2.868 -2.868 567 1HD1 LEU 73 HD13 LEU 73 18.039 -3.592 -3.592 568 2HD1 LEU 73 HD12 LEU 73 19.525 -3.061 -3.061 569 3HD1 LEU 73 HD11 LEU 73 19.562 -4.365 -4.365 570 1HD2 LEU 73 HD22 LEU 73 19.402 -0.642 -0.642 571 2HD2 LEU 73 HD21 LEU 73 20.371 -0.561 -0.561 572 3HD2 LEU 73 HD23 LEU 73 20.916 -1.535 -1.535 573 H SER 74 HN SER 74 15.261 -3.875 -3.875 574 HA SER 74 HA SER 74 13.622 -1.787 -1.787 575 1HB SER 74 HB2 SER 74 12.804 -3.633 -3.633 576 2HB SER 74 HB1 SER 74 12.988 -4.745 -4.745 577 HG SER 74 HG SER 74 11.620 -2.775 -2.775 578 H ALA 75 HN ALA 75 14.730 -4.758 -4.758 579 HA ALA 75 HA ALA 75 13.436 -4.110 -4.110 580 1HB ALA 75 HB2 ALA 75 15.758 -5.960 -5.960 581 2HB ALA 75 HB1 ALA 75 14.943 -5.870 -5.870 582 3HB ALA 75 HB3 ALA 75 14.060 -6.413 -6.413 583 H VAL 76 HN VAL 76 16.518 -3.298 -3.298 584 HA VAL 76 HA VAL 76 18.009 -2.566 -2.566 585 HB VAL 76 HB VAL 76 17.809 -1.285 -1.285 586 1HG1 VAL 76 HG12 VAL 76 19.559 -0.626 -0.626 587 2HG1 VAL 76 HG11 VAL 76 20.170 -0.433 -0.433 588 3HG1 VAL 76 HG13 VAL 76 18.743 0.456 0.456 589 1HG2 VAL 76 HG22 VAL 76 19.741 -3.224 -3.224 590 2HG2 VAL 76 HG21 VAL 76 18.608 -3.576 -3.576 591 3HG2 VAL 76 HG23 VAL 76 19.972 -2.507 -2.507 592 H TYR 77 HN TYR 77 16.056 -0.201 -0.201 593 HA TYR 77 HA TYR 77 16.098 1.736 1.736 594 1HB TYR 77 HB2 TYR 77 13.888 1.779 1.779 595 2HB TYR 77 HB1 TYR 77 14.905 3.099 3.099 596 HD1 TYR 77 HD2 TYR 77 17.180 3.429 3.429 597 HD2 TYR 77 HD1 TYR 77 14.567 0.360 0.360 598 HE1 TYR 77 HE2 TYR 77 18.601 3.189 3.189 599 HE2 TYR 77 HE1 TYR 77 15.990 0.122 0.122 600 HH TYR 77 HH TYR 77 17.624 1.630 1.630 601 H GLU 78 HN GLU 78 15.296 -0.760 -0.760 602 HA GLU 78 HA GLU 78 12.474 -0.168 -0.168 603 1HB GLU 78 HB2 GLU 78 12.894 -2.214 -2.214 604 2HB GLU 78 HB1 GLU 78 13.538 -2.978 -2.978 605 1HG GLU 78 HG2 GLU 78 11.267 -3.576 -3.576 606 2HG GLU 78 HG1 GLU 78 11.345 -2.186 -2.186 607 H GLY 79 HN GLY 79 15.578 -1.642 -1.642 608 1HA GLY 79 HA2 GLY 79 16.562 -1.460 -1.460 609 2HA GLY 79 HA1 GLY 79 14.957 -1.109 -1.109 610 H HIS 80 HN HIS 80 14.454 -3.443 -3.443 611 HA HIS 80 HA HIS 80 14.179 -5.543 -5.543 612 1HB HIS 80 HB2 HIS 80 13.430 -5.146 -5.146 613 2HB HIS 80 HB1 HIS 80 13.627 -6.807 -6.807 614 HD1 HIS 80 HD1 HIS 80 11.443 -7.756 -7.756 615 HD2 HIS 80 HD2 HIS 80 11.722 -3.687 -3.687 616 HE1 HIS 80 HE1 HIS 80 9.265 -7.114 -7.114 617 H VAL 81 HN VAL 81 15.806 -5.317 -5.317 618 HA VAL 81 HA VAL 81 17.549 -6.656 -6.656 619 HB VAL 81 HB VAL 81 19.643 -6.080 -6.080 620 1HG1 VAL 81 HG13 VAL 81 18.269 -4.860 -4.860 621 2HG1 VAL 81 HG12 VAL 81 18.608 -3.556 -3.556 622 3HG1 VAL 81 HG11 VAL 81 19.929 -4.552 -4.552 623 1HG2 VAL 81 HG23 VAL 81 18.213 -5.383 -5.383 624 2HG2 VAL 81 HG22 VAL 81 19.258 -4.088 -4.088 625 3HG2 VAL 81 HG21 VAL 81 17.549 -4.089 -4.089 626 H SER 82 HN SER 82 15.868 -7.996 -7.996 627 HA SER 82 HA SER 82 17.830 -9.890 -9.890 628 1HB SER 82 HB2 SER 82 14.918 -9.392 -9.392 629 2HB SER 82 HB1 SER 82 15.375 -11.096 -11.096 630 HG SER 82 HG SER 82 15.576 -10.406 -10.406 631 H CYS 83 HN CYS 83 15.925 -9.292 -9.292 632 HA CYS 83 HA CYS 83 16.024 -12.023 -12.023 633 1HB CYS 83 HB2 CYS 83 14.881 -11.043 -11.043 634 2HB CYS 83 HB1 CYS 83 14.092 -10.525 -10.525 635 HG CYS 83 HG CYS 83 14.798 -8.539 -8.539 636 H VAL 84 HN VAL 84 17.395 -8.803 -8.803 637 HA VAL 84 HA VAL 84 18.957 -9.453 -9.453 638 HB VAL 84 HB VAL 84 20.721 -7.924 -7.924 639 1HG1 VAL 84 HG12 VAL 84 17.886 -6.996 -6.996 640 2HG1 VAL 84 HG11 VAL 84 19.277 -5.933 -5.933 641 3HG1 VAL 84 HG13 VAL 84 18.720 -6.959 -6.959 642 1HG2 VAL 84 HG22 VAL 84 19.216 -8.299 -8.299 643 2HG2 VAL 84 HG21 VAL 84 20.947 -8.377 -8.377 644 3HG2 VAL 84 HG23 VAL 84 20.127 -6.820 -6.820 645 H LYS 85 HN LYS 85 19.794 -10.120 -10.120 646 HA LYS 85 HA LYS 85 22.235 -11.427 -11.427 647 1HB LYS 85 HB2 LYS 85 20.194 -11.219 -11.219 648 2HB LYS 85 HB1 LYS 85 20.709 -12.894 -12.894 649 1HG LYS 85 HG2 LYS 85 22.193 -11.926 -11.926 650 2HG LYS 85 HG1 LYS 85 23.122 -11.944 -11.944 651 1HD LYS 85 HD2 LYS 85 22.236 -9.575 -9.575 652 2HD LYS 85 HD1 LYS 85 21.686 -9.603 -9.603 653 1HE LYS 85 HE2 LYS 85 24.535 -9.926 -9.926 654 2HE LYS 85 HE1 LYS 85 23.881 -8.579 -8.579 655 1HZ LYS 85 HZ3 LYS 85 23.334 -11.003 -11.003 656 2HZ LYS 85 HZ2 LYS 85 24.994 -10.926 -10.926 657 3HZ LYS 85 HZ1 LYS 85 24.254 -9.683 -9.683 658 H LEU 86 HN LEU 86 19.129 -13.089 -13.089 659 HA LEU 86 HA LEU 86 19.994 -15.614 -15.614 660 1HB LEU 86 HB2 LEU 86 18.100 -15.937 -15.937 661 2HB LEU 86 HB1 LEU 86 17.606 -14.268 -14.268 662 HG LEU 86 HG LEU 86 17.156 -16.502 -16.502 663 1HD1 LEU 86 HD12 LEU 86 15.424 -15.082 -15.082 664 2HD1 LEU 86 HD11 LEU 86 14.729 -15.963 -15.963 665 3HD1 LEU 86 HD13 LEU 86 15.704 -16.817 -16.817 666 1HD2 LEU 86 HD22 LEU 86 17.005 -13.592 -13.592 667 2HD2 LEU 86 HD21 LEU 86 16.821 -14.830 -14.830 668 3HD2 LEU 86 HD23 LEU 86 15.441 -14.340 -14.340 669 H LEU 87 HN LEU 87 19.430 -12.750 -12.750 670 HA LEU 87 HA LEU 87 18.282 -13.970 -13.970 671 1HB LEU 87 HB2 LEU 87 18.642 -11.342 -11.342 672 2HB LEU 87 HB1 LEU 87 19.444 -11.406 -11.406 673 HG LEU 87 HG LEU 87 16.646 -12.453 -12.453 674 1HD1 LEU 87 HD13 LEU 87 17.600 -9.680 -9.680 675 2HD1 LEU 87 HD12 LEU 87 15.980 -10.261 -10.261 676 3HD1 LEU 87 HD11 LEU 87 16.487 -10.139 -10.139 677 1HD2 LEU 87 HD23 LEU 87 18.336 -11.750 -11.750 678 2HD2 LEU 87 HD22 LEU 87 17.625 -13.311 -13.311 679 3HD2 LEU 87 HD21 LEU 87 16.591 -11.979 -11.979 680 H LEU 88 HN LEU 88 21.294 -11.978 -11.978 681 HA LEU 88 HA LEU 88 22.309 -13.160 -13.160 682 1HB LEU 88 HB2 LEU 88 24.486 -12.329 -12.329 683 2HB LEU 88 HB1 LEU 88 23.343 -11.141 -11.141 684 HG LEU 88 HG LEU 88 24.989 -11.366 -11.366 685 1HD1 LEU 88 HD13 LEU 88 22.557 -11.489 -11.489 686 2HD1 LEU 88 HD12 LEU 88 22.792 -13.221 -13.221 687 3HD1 LEU 88 HD11 LEU 88 23.720 -12.084 -12.084 688 1HD2 LEU 88 HD23 LEU 88 25.485 -13.854 -13.854 689 2HD2 LEU 88 HD22 LEU 88 26.150 -13.263 -13.263 690 3HD2 LEU 88 HD21 LEU 88 24.705 -14.269 -14.269 691 H SER 89 HN SER 89 21.807 -14.583 -14.583 692 HA SER 89 HA SER 89 23.832 -16.571 -16.571 693 1HB SER 89 HB2 SER 89 21.821 -16.071 -16.071 694 2HB SER 89 HB1 SER 89 20.926 -17.164 -17.164 695 HG SER 89 HG SER 89 22.834 -18.605 -18.605 696 H LYS 90 HN LYS 90 21.366 -15.872 -15.872 697 HA LYS 90 HA LYS 90 21.513 -18.557 -18.557 698 1HB LYS 90 HB2 LYS 90 19.277 -17.477 -17.477 699 2HB LYS 90 HB1 LYS 90 19.514 -16.376 -16.376 700 1HG LYS 90 HG2 LYS 90 19.787 -18.398 -18.398 701 2HG LYS 90 HG1 LYS 90 19.272 -19.384 -19.384 702 1HD LYS 90 HD2 LYS 90 17.319 -18.897 -18.897 703 2HD LYS 90 HD1 LYS 90 17.171 -18.026 -18.026 704 1HE LYS 90 HE2 LYS 90 16.811 -16.842 -16.842 705 2HE LYS 90 HE1 LYS 90 17.427 -15.989 -15.989 706 1HZ LYS 90 HZ1 LYS 90 19.262 -17.391 -17.391 707 2HZ LYS 90 HZ3 LYS 90 18.726 -15.821 -15.821 708 3HZ LYS 90 HZ2 LYS 90 19.597 -16.122 -16.122 709 H GLY 91 HN GLY 91 22.233 -15.179 -15.179 710 1HA GLY 91 HA2 GLY 91 24.119 -15.011 -15.011 711 2HA GLY 91 HA1 GLY 91 22.802 -15.493 -15.493 712 H ALA 92 HN ALA 92 21.174 -13.991 -13.991 713 HA ALA 92 HA ALA 92 20.425 -11.807 -11.807 714 1HB ALA 92 HB1 ALA 92 20.252 -12.320 -12.320 715 2HB ALA 92 HB3 ALA 92 20.834 -10.667 -10.667 716 3HB ALA 92 HB2 ALA 92 19.323 -11.141 -11.141 717 H ASP 93 HN ASP 93 23.538 -12.357 -12.357 718 HA ASP 93 HA ASP 93 25.477 -11.005 -11.005 719 1HB ASP 93 HB2 ASP 93 23.471 -9.750 -9.750 720 2HB ASP 93 HB1 ASP 93 25.080 -9.073 -9.073 721 H LYS 94 HN LYS 94 24.399 -7.914 -7.914 722 HA LYS 94 HA LYS 94 23.545 -7.168 -7.168 723 1HB LYS 94 HB2 LYS 94 26.129 -7.668 -7.668 724 2HB LYS 94 HB1 LYS 94 26.261 -6.100 -6.100 725 1HG LYS 94 HG2 LYS 94 24.733 -6.568 -6.568 726 2HG LYS 94 HG1 LYS 94 26.405 -6.033 -6.033 727 1HD LYS 94 HD2 LYS 94 25.526 -3.934 -3.934 728 2HD LYS 94 HD1 LYS 94 25.230 -4.265 -4.265 729 1HE LYS 94 HE2 LYS 94 23.062 -3.751 -3.751 730 2HE LYS 94 HE1 LYS 94 23.018 -5.414 -5.414 731 1HZ LYS 94 HZ2 LYS 94 23.668 -4.652 -4.652 732 2HZ LYS 94 HZ1 LYS 94 23.663 -3.042 -3.042 733 3HZ LYS 94 HZ3 LYS 94 22.216 -3.927 -3.927 734 H THR 95 HN THR 95 25.549 -5.708 -5.708 735 HA THR 95 HA THR 95 23.461 -3.578 -3.578 736 HB THR 95 HB THR 95 25.569 -2.417 -2.417 737 HG1 THR 95 HG1 THR 95 27.014 -4.051 -4.051 738 1HG2 THR 95 HG22 THR 95 24.325 -2.055 -2.055 739 2HG2 THR 95 HG21 THR 95 25.954 -2.465 -2.465 740 3HG2 THR 95 HG23 THR 95 25.699 -1.097 -1.097 741 H VAL 96 HN VAL 96 23.137 -6.009 -6.009 742 HA VAL 96 HA VAL 96 24.407 -6.166 -6.166 743 HB VAL 96 HB VAL 96 22.722 -7.788 -7.788 744 1HG1 VAL 96 HG13 VAL 96 21.691 -7.506 -7.506 745 2HG1 VAL 96 HG12 VAL 96 21.228 -8.769 -8.769 746 3HG1 VAL 96 HG11 VAL 96 20.818 -7.092 -7.092 747 1HG2 VAL 96 HG22 VAL 96 24.876 -8.371 -8.371 748 2HG2 VAL 96 HG21 VAL 96 23.602 -9.575 -9.575 749 3HG2 VAL 96 HG23 VAL 96 23.968 -8.474 -8.474 750 H LYS 97 HN LYS 97 22.003 -4.062 -4.062 751 HA LYS 97 HA LYS 97 21.533 -3.159 -3.159 752 1HB LYS 97 HB2 LYS 97 19.104 -3.448 -3.448 753 2HB LYS 97 HB1 LYS 97 19.976 -4.964 -4.964 754 1HG LYS 97 HG2 LYS 97 19.621 -5.278 -5.278 755 2HG LYS 97 HG1 LYS 97 18.882 -3.681 -3.681 756 1HD LYS 97 HD2 LYS 97 17.154 -5.452 -5.452 757 2HD LYS 97 HD1 LYS 97 17.073 -4.379 -4.379 758 1HE LYS 97 HE2 LYS 97 18.807 -6.811 -6.811 759 2HE LYS 97 HE1 LYS 97 17.065 -7.030 -7.030 760 1HZ LYS 97 HZ2 LYS 97 18.486 -5.003 -5.003 761 2HZ LYS 97 HZ1 LYS 97 18.284 -6.602 -6.602 762 3HZ LYS 97 HZ3 LYS 97 16.926 -5.632 -5.632 763 H GLY 98 HN GLY 98 21.393 -2.584 -2.584 764 1HA GLY 98 HA2 GLY 98 19.610 -0.344 -0.344 765 2HA GLY 98 HA1 GLY 98 20.951 -0.574 -0.574 766 HA PRO 99 HA PRO 99 21.606 3.046 3.046 767 1HB PRO 99 HB2 PRO 99 22.503 4.381 4.381 768 2HB PRO 99 HB1 PRO 99 21.303 4.921 4.921 769 1HG PRO 99 HG2 PRO 99 20.811 3.801 3.801 770 2HG PRO 99 HG1 PRO 99 19.607 4.280 4.280 771 1HD PRO 99 HD2 PRO 99 20.229 1.612 1.612 772 2HD PRO 99 HD1 PRO 99 19.187 2.086 2.086 773 H ASP 100 HN ASP 100 23.600 2.990 2.990 774 HA ASP 100 HA ASP 100 25.726 1.500 1.500 775 1HB ASP 100 HB2 ASP 100 25.882 3.923 3.923 776 2HB ASP 100 HB1 ASP 100 26.316 4.346 4.346 777 H GLY 101 HN GLY 101 27.321 3.434 3.434 778 1HA GLY 101 HA2 GLY 101 27.720 1.497 1.497 779 2HA GLY 101 HA1 GLY 101 28.082 3.210 3.210 780 H LEU 102 HN LEU 102 24.818 2.933 2.933 781 HA LEU 102 HA LEU 102 23.884 3.926 3.926 782 1HB LEU 102 HB2 LEU 102 22.537 3.722 3.722 783 2HB LEU 102 HB1 LEU 102 22.251 2.037 2.037 784 HG LEU 102 HG LEU 102 21.490 4.471 4.471 785 1HD1 LEU 102 HD11 LEU 102 19.986 2.596 2.596 786 2HD1 LEU 102 HD13 LEU 102 19.176 3.286 3.286 787 3HD1 LEU 102 HD12 LEU 102 19.840 4.349 4.349 788 1HD2 LEU 102 HD22 LEU 102 21.353 1.511 1.511 789 2HD2 LEU 102 HD21 LEU 102 21.956 2.805 2.805 790 3HD2 LEU 102 HD23 LEU 102 20.230 2.628 2.628 791 H THR 103 HN THR 103 23.123 0.605 0.605 792 HA THR 103 HA THR 103 22.495 -1.065 -1.065 793 HB THR 103 HB THR 103 24.541 -1.984 -1.984 794 HG1 THR 103 HG1 THR 103 25.605 -1.616 -1.616 795 1HG2 THR 103 HG21 THR 103 25.851 0.406 0.406 796 2HG2 THR 103 HG23 THR 103 26.729 -0.935 -0.935 797 3HG2 THR 103 HG22 THR 103 25.711 0.105 0.105 798 H ALA 104 HN ALA 104 25.014 -0.526 -0.526 799 HA ALA 104 HA ALA 104 23.095 0.457 0.457 800 1HB ALA 104 HB2 ALA 104 24.587 -1.608 -1.608 801 2HB ALA 104 HB1 ALA 104 25.912 -0.467 -0.467 802 3HB ALA 104 HB3 ALA 104 24.529 -0.432 -0.432 803 H LEU 105 HN LEU 105 26.007 1.535 1.535 804 HA LEU 105 HA LEU 105 26.987 3.446 3.446 805 1HB LEU 105 HB2 LEU 105 26.756 3.931 3.931 806 2HB LEU 105 HB1 LEU 105 27.990 4.517 4.517 807 HG LEU 105 HG LEU 105 27.541 1.669 1.669 808 1HD1 LEU 105 HD13 LEU 105 28.779 3.215 3.215 809 2HD1 LEU 105 HD12 LEU 105 29.936 3.519 3.519 810 3HD1 LEU 105 HD11 LEU 105 29.791 1.904 1.904 811 1HD2 LEU 105 HD23 LEU 105 29.260 2.802 2.802 812 2HD2 LEU 105 HD22 LEU 105 28.124 1.454 1.454 813 3HD2 LEU 105 HD21 LEU 105 29.647 1.274 1.274 814 H GLU 106 HN GLU 106 24.765 4.296 4.296 815 HA GLU 106 HA GLU 106 24.219 6.852 6.852 816 1HB GLU 106 HB2 GLU 106 22.898 5.546 5.546 817 2HB GLU 106 HB1 GLU 106 22.832 7.242 7.242 818 1HG GLU 106 HG2 GLU 106 25.381 5.729 5.729 819 2HG GLU 106 HG1 GLU 106 24.518 6.740 6.740 820 H ALA 107 HN ALA 107 22.902 3.725 3.725 821 HA ALA 107 HA ALA 107 20.155 4.565 4.565 822 1HB ALA 107 HB1 ALA 107 20.730 2.268 2.268 823 2HB ALA 107 HB3 ALA 107 21.499 1.995 1.995 824 3HB ALA 107 HB2 ALA 107 19.767 2.292 2.292 825 H THR 108 HN THR 108 22.910 3.852 3.852 826 HA THR 108 HA THR 108 21.411 5.273 5.273 827 HB THR 108 HB THR 108 20.504 3.030 3.030 828 HG1 THR 108 HG1 THR 108 21.429 4.222 4.222 829 1HG2 THR 108 HG23 THR 108 23.276 2.354 2.354 830 2HG2 THR 108 HG22 THR 108 22.655 1.389 1.389 831 3HG2 THR 108 HG21 THR 108 21.819 1.398 1.398 832 H ASP 109 HN ASP 109 22.730 4.213 4.213 833 HA ASP 109 HA ASP 109 25.630 4.478 4.478 834 1HB ASP 109 HB2 ASP 109 24.712 6.794 6.794 835 2HB ASP 109 HB1 ASP 109 24.164 6.152 6.152 836 H ASN 110 HN ASN 110 22.995 2.918 2.918 837 HA ASN 110 HA ASN 110 24.016 2.126 2.126 838 1HB ASN 110 HB2 ASN 110 22.158 0.444 0.444 839 2HB ASN 110 HB1 ASN 110 21.599 2.083 2.083 840 1HD2 ASN 110 HD21 ASN 110 22.978 -0.581 -0.581 841 2HD2 ASN 110 HD22 ASN 110 21.876 -0.429 -0.429 842 H GLN 111 HN GLN 111 25.225 0.299 0.299 843 HA GLN 111 HA GLN 111 26.703 -0.796 -0.796 844 1HB GLN 111 HB2 GLN 111 27.956 -0.409 -0.409 845 2HB GLN 111 HB1 GLN 111 26.754 -1.135 -1.135 846 1HG GLN 111 HG2 GLN 111 27.351 -3.339 -3.339 847 2HG GLN 111 HG1 GLN 111 28.256 -2.753 -2.753 848 1HE2 GLN 111 HE21 GLN 111 28.431 -3.368 -3.368 849 2HE2 GLN 111 HE22 GLN 111 30.044 -2.881 -2.881 850 H ALA 112 HN ALA 112 23.664 -1.639 -1.639 851 HA ALA 112 HA ALA 112 24.006 -4.551 -4.551 852 1HB ALA 112 HB1 ALA 112 21.600 -2.732 -2.732 853 2HB ALA 112 HB3 ALA 112 21.465 -4.487 -4.487 854 3HB ALA 112 HB2 ALA 112 22.058 -3.758 -3.758 855 H ILE 113 HN ILE 113 22.655 -2.180 -2.180 856 HA ILE 113 HA ILE 113 22.343 -3.933 -3.933 857 HB ILE 113 HB ILE 113 22.502 -0.934 -0.934 858 1HG1 ILE 113 HG12 ILE 113 20.043 -2.348 -2.348 859 2HG1 ILE 113 HG11 ILE 113 20.573 -2.679 -2.679 860 1HG2 ILE 113 HG22 ILE 113 22.992 -2.162 -2.162 861 2HG2 ILE 113 HG21 ILE 113 21.250 -2.068 -2.068 862 3HG2 ILE 113 HG23 ILE 113 22.193 -0.603 -0.603 863 1HD1 ILE 113 HD13 ILE 113 20.624 0.174 0.174 864 2HD1 ILE 113 HD12 ILE 113 19.021 -0.544 -0.544 865 3HD1 ILE 113 HD11 ILE 113 20.029 -0.606 -0.606 866 H LYS 114 HN LYS 114 24.786 -1.530 -1.530 867 HA LYS 114 HA LYS 114 26.373 -1.727 -1.727 868 1HB LYS 114 HB2 LYS 114 27.440 -1.449 -1.449 869 2HB LYS 114 HB1 LYS 114 28.197 -0.863 -0.863 870 1HG LYS 114 HG2 LYS 114 25.421 0.083 0.083 871 2HG LYS 114 HG1 LYS 114 26.779 0.796 0.796 872 1HD LYS 114 HD2 LYS 114 27.820 1.206 1.206 873 2HD LYS 114 HD1 LYS 114 26.242 0.798 0.798 874 1HE LYS 114 HE2 LYS 114 25.360 2.555 2.555 875 2HE LYS 114 HE1 LYS 114 27.020 3.137 3.137 876 1HZ LYS 114 HZ3 LYS 114 25.546 2.660 2.660 877 2HZ LYS 114 HZ2 LYS 114 25.344 4.112 4.112 878 3HZ LYS 114 HZ1 LYS 114 26.879 3.673 3.673 879 H ALA 115 HN ALA 115 25.598 -4.075 -4.075 880 HA ALA 115 HA ALA 115 27.938 -5.703 -5.703 881 1HB ALA 115 HB1 ALA 115 25.886 -5.980 -5.980 882 2HB ALA 115 HB3 ALA 115 25.106 -6.771 -6.771 883 3HB ALA 115 HB2 ALA 115 26.569 -7.461 -7.461 884 H LEU 116 HN LEU 116 25.097 -5.432 -5.432 885 HA LEU 116 HA LEU 116 25.934 -7.606 -7.606 886 1HB LEU 116 HB2 LEU 116 23.864 -5.479 -5.479 887 2HB LEU 116 HB1 LEU 116 24.457 -5.971 -5.971 888 HG LEU 116 HG LEU 116 23.087 -7.669 -7.669 889 1HD1 LEU 116 HD11 LEU 116 22.575 -7.010 -7.010 890 2HD1 LEU 116 HD13 LEU 116 21.648 -8.199 -8.199 891 3HD1 LEU 116 HD12 LEU 116 21.611 -6.497 -6.497 892 1HD2 LEU 116 HD22 LEU 116 24.950 -8.492 -8.492 893 2HD2 LEU 116 HD21 LEU 116 24.620 -9.283 -9.283 894 3HD2 LEU 116 HD23 LEU 116 23.485 -9.442 -9.442 895 H LEU 117 HN LEU 117 27.145 -4.544 -4.544 896 HA LEU 117 HA LEU 117 28.163 -3.986 -3.986 897 1HB LEU 117 HB2 LEU 117 27.779 -2.399 -2.399 898 2HB LEU 117 HB1 LEU 117 29.504 -2.707 -2.707 899 HG LEU 117 HG LEU 117 29.061 -0.668 -0.668 900 1HD1 LEU 117 HD11 LEU 117 30.974 -2.226 -2.226 901 2HD1 LEU 117 HD13 LEU 117 29.954 -2.852 -2.852 902 3HD1 LEU 117 HD12 LEU 117 30.440 -1.160 -1.160 903 1HD2 LEU 117 HD23 LEU 117 26.848 -2.020 -2.020 904 2HD2 LEU 117 HD22 LEU 117 27.477 -0.522 -0.522 905 3HD2 LEU 117 HD21 LEU 117 27.931 -2.071 -2.071 906 H GLN 118 HN GLN 118 28.776 -6.251 -6.251 907 HA GLN 118 HA GLN 118 31.639 -6.291 -6.291 908 1HB GLN 118 HB2 GLN 118 31.351 -8.551 -8.551 909 2HB GLN 118 HB1 GLN 118 30.038 -7.569 -7.569 910 1HG GLN 118 HG2 GLN 118 28.864 -9.434 -9.434 911 2HG GLN 118 HG1 GLN 118 28.765 -8.352 -8.352 912 1HE2 GLN 118 HE21 GLN 118 30.947 -10.916 -10.916 913 2HE2 GLN 118 HE22 GLN 118 31.345 -11.557 -11.557 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -9.892 -10.723 -10.723 2 2H MET 1 HT3 MET 1 -11.429 -11.384 -11.384 3 3H MET 1 HT2 MET 1 -11.187 -10.306 -10.306 4 HA MET 1 HA MET 1 -10.916 -8.471 -8.471 5 1HB MET 1 HB2 MET 1 -13.090 -10.254 -10.254 6 2HB MET 1 HB1 MET 1 -13.005 -8.501 -8.501 7 1HG MET 1 HG2 MET 1 -12.961 -9.747 -9.747 8 2HG MET 1 HG1 MET 1 -14.495 -9.536 -9.536 9 1HE MET 1 HE3 MET 1 -15.234 -8.324 -8.324 10 2HE MET 1 HE2 MET 1 -15.894 -7.370 -7.370 11 3HE MET 1 HE1 MET 1 -15.189 -6.557 -6.557 12 H CYS 2 HN CYS 2 -11.520 -8.051 -8.051 13 HA CYS 2 HA CYS 2 -10.511 -8.069 -8.069 14 1HB CYS 2 HB2 CYS 2 -11.692 -10.365 -10.365 15 2HB CYS 2 HB1 CYS 2 -10.081 -11.026 -11.026 16 HG CYS 2 HG CYS 2 -9.787 -9.364 -9.364 17 H ASP 3 HN ASP 3 -8.794 -7.589 -7.589 18 HA ASP 3 HA ASP 3 -6.370 -8.973 -8.973 19 1HB ASP 3 HB2 ASP 3 -6.892 -5.998 -5.998 20 2HB ASP 3 HB1 ASP 3 -5.319 -6.726 -6.726 21 H LYS 4 HN LYS 4 -7.623 -6.856 -6.856 22 HA LYS 4 HA LYS 4 -5.317 -6.171 -6.171 23 1HB LYS 4 HB2 LYS 4 -8.077 -6.932 -6.932 24 2HB LYS 4 HB1 LYS 4 -6.840 -6.197 -6.197 25 1HG LYS 4 HG2 LYS 4 -7.547 -4.870 -4.870 26 2HG LYS 4 HG1 LYS 4 -8.637 -4.683 -4.683 27 1HD LYS 4 HD2 LYS 4 -6.721 -3.879 -3.879 28 2HD LYS 4 HD1 LYS 4 -5.687 -3.981 -3.981 29 1HE LYS 4 HE2 LYS 4 -7.141 -2.373 -2.373 30 2HE LYS 4 HE1 LYS 4 -8.182 -2.273 -2.273 31 1HZ LYS 4 HZ1 LYS 4 -5.973 -1.689 -1.689 32 2HZ LYS 4 HZ3 LYS 4 -5.443 -1.273 -1.273 33 3HZ LYS 4 HZ2 LYS 4 -6.793 -0.492 -0.492 34 H GLU 5 HN GLU 5 -7.419 -8.989 -8.989 35 HA GLU 5 HA GLU 5 -5.806 -10.268 -10.268 36 1HB GLU 5 HB2 GLU 5 -7.835 -11.159 -11.159 37 2HB GLU 5 HB1 GLU 5 -6.718 -12.425 -12.425 38 1HG GLU 5 HG2 GLU 5 -8.248 -10.643 -10.643 39 2HG GLU 5 HG1 GLU 5 -8.770 -12.257 -12.257 40 H PHE 6 HN PHE 6 -5.332 -10.099 -10.099 41 HA PHE 6 HA PHE 6 -3.297 -12.128 -12.128 42 1HB PHE 6 HB2 PHE 6 -4.618 -10.870 -10.870 43 2HB PHE 6 HB1 PHE 6 -3.283 -9.727 -9.727 44 HD1 PHE 6 HD2 PHE 6 -1.042 -11.759 -11.759 45 HD2 PHE 6 HD1 PHE 6 -4.226 -11.826 -11.826 46 HE1 PHE 6 HE2 PHE 6 0.283 -13.288 -13.288 47 HE2 PHE 6 HE1 PHE 6 -2.894 -13.352 -13.352 48 HZ PHE 6 HZ PHE 6 -0.642 -14.083 -14.083 49 H MET 7 HN MET 7 -2.670 -8.616 -8.616 50 HA MET 7 HA MET 7 0.051 -8.788 -8.788 51 1HB MET 7 HB2 MET 7 0.091 -6.437 -6.437 52 2HB MET 7 HB1 MET 7 -1.237 -6.787 -6.787 53 1HG MET 7 HG2 MET 7 -2.727 -6.675 -6.675 54 2HG MET 7 HG1 MET 7 -1.353 -5.823 -5.823 55 1HE MET 7 HE2 MET 7 -3.526 -6.350 -6.350 56 2HE MET 7 HE1 MET 7 -4.284 -4.796 -4.796 57 3HE MET 7 HE3 MET 7 -2.790 -5.254 -5.254 58 H TRP 8 HN TRP 8 -2.777 -8.236 -8.236 59 HA TRP 8 HA TRP 8 -1.474 -7.603 -7.603 60 1HB TRP 8 HB2 TRP 8 -3.998 -7.720 -7.720 61 2HB TRP 8 HB1 TRP 8 -3.868 -9.431 -9.431 62 HD1 TRP 8 HD1 TRP 8 -3.248 -10.067 -10.067 63 HE1 TRP 8 HE1 TRP 8 -3.384 -8.732 -8.732 64 HE3 TRP 8 HE3 TRP 8 -3.776 -5.343 -5.343 65 HZ2 TRP 8 HZ2 TRP 8 -3.677 -6.018 -6.018 66 HZ3 TRP 8 HZ3 TRP 8 -3.980 -3.403 -3.403 67 HH2 TRP 8 HH2 TRP 8 -3.932 -3.734 -3.734 68 H ALA 9 HN ALA 9 -1.620 -10.712 -10.712 69 HA ALA 9 HA ALA 9 -0.806 -12.170 -12.170 70 1HB ALA 9 HB1 ALA 9 -1.043 -12.905 -12.905 71 2HB ALA 9 HB3 ALA 9 -0.348 -14.017 -14.017 72 3HB ALA 9 HB2 ALA 9 -2.017 -13.474 -13.474 73 H LEU 10 HN LEU 10 0.833 -11.071 -11.071 74 HA LEU 10 HA LEU 10 3.408 -12.075 -12.075 75 1HB LEU 10 HB2 LEU 10 2.631 -9.504 -9.504 76 2HB LEU 10 HB1 LEU 10 4.285 -10.092 -10.092 77 HG LEU 10 HG LEU 10 3.012 -12.325 -12.325 78 1HD1 LEU 10 HD12 LEU 10 0.901 -10.908 -10.908 79 2HD1 LEU 10 HD11 LEU 10 1.752 -9.983 -9.983 80 3HD1 LEU 10 HD13 LEU 10 1.433 -11.700 -11.700 81 1HD2 LEU 10 HD21 LEU 10 4.316 -9.999 -9.999 82 2HD2 LEU 10 HD23 LEU 10 5.028 -11.557 -11.557 83 3HD2 LEU 10 HD22 LEU 10 3.814 -11.459 -11.459 84 H LYS 11 HN LYS 11 1.553 -9.452 -9.452 85 HA LYS 11 HA LYS 11 3.759 -8.128 -8.128 86 1HB LYS 11 HB2 LYS 11 2.036 -6.801 -6.801 87 2HB LYS 11 HB1 LYS 11 0.778 -7.678 -7.678 88 1HG LYS 11 HG2 LYS 11 1.345 -6.719 -6.719 89 2HG LYS 11 HG1 LYS 11 2.930 -6.198 -6.198 90 1HD LYS 11 HD2 LYS 11 1.373 -4.285 -4.285 91 2HD LYS 11 HD1 LYS 11 1.855 -4.583 -4.583 92 1HE LYS 11 HE2 LYS 11 -0.222 -5.639 -5.639 93 2HE LYS 11 HE1 LYS 11 -0.663 -5.762 -5.762 94 1HZ LYS 11 HZ3 LYS 11 -0.618 -3.280 -3.280 95 2HZ LYS 11 HZ2 LYS 11 -0.466 -3.302 -3.302 96 3HZ LYS 11 HZ1 LYS 11 -1.853 -3.947 -3.947 97 H ASN 12 HN ASN 12 0.591 -9.447 -9.447 98 HA ASN 12 HA ASN 12 1.428 -9.385 -9.385 99 1HB ASN 12 HB2 ASN 12 -0.940 -9.142 -9.142 100 2HB ASN 12 HB1 ASN 12 -0.931 -10.873 -10.873 101 1HD2 ASN 12 HD21 ASN 12 -2.727 -10.844 -10.844 102 2HD2 ASN 12 HD22 ASN 12 -2.246 -10.937 -10.937 103 H GLY 13 HN GLY 13 2.932 -11.065 -11.065 104 1HA GLY 13 HA2 GLY 13 4.042 -13.110 -13.110 105 2HA GLY 13 HA1 GLY 13 3.674 -13.120 -13.120 106 H ASP 14 HN ASP 14 0.865 -13.035 -13.035 107 HA ASP 14 HA ASP 14 0.112 -15.676 -15.676 108 1HB ASP 14 HB2 ASP 14 -1.250 -14.391 -14.391 109 2HB ASP 14 HB1 ASP 14 -1.918 -15.345 -15.345 110 H LEU 15 HN LEU 15 2.404 -16.012 -16.012 111 HA LEU 15 HA LEU 15 2.951 -16.425 -16.425 112 1HB LEU 15 HB2 LEU 15 4.511 -16.538 -16.538 113 2HB LEU 15 HB1 LEU 15 3.804 -18.083 -18.083 114 HG LEU 15 HG LEU 15 6.015 -18.084 -18.084 115 1HD1 LEU 15 HD12 LEU 15 4.333 -20.016 -20.016 116 2HD1 LEU 15 HD11 LEU 15 3.892 -19.778 -19.778 117 3HD1 LEU 15 HD13 LEU 15 5.549 -20.205 -20.205 118 1HD2 LEU 15 HD23 LEU 15 5.079 -16.446 -16.446 119 2HD2 LEU 15 HD22 LEU 15 5.930 -17.855 -17.855 120 3HD2 LEU 15 HD21 LEU 15 4.166 -17.810 -17.810 121 H ASP 16 HN ASP 16 1.096 -18.402 -18.402 122 HA ASP 16 HA ASP 16 0.883 -20.754 -20.754 123 1HB ASP 16 HB2 ASP 16 -1.071 -19.490 -19.490 124 2HB ASP 16 HB1 ASP 16 -1.151 -21.150 -21.150 125 H GLU 17 HN GLU 17 -0.759 -17.647 -17.647 126 HA GLU 17 HA GLU 17 -2.912 -18.567 -18.567 127 1HB GLU 17 HB2 GLU 17 -3.156 -16.585 -16.585 128 2HB GLU 17 HB1 GLU 17 -1.861 -15.787 -15.787 129 1HG GLU 17 HG2 GLU 17 -3.143 -15.636 -15.636 130 2HG GLU 17 HG1 GLU 17 -4.295 -16.856 -16.856 131 H VAL 18 HN VAL 18 -0.025 -16.549 -16.549 132 HA VAL 18 HA VAL 18 -0.379 -16.294 -16.294 133 HB VAL 18 HB VAL 18 2.259 -15.878 -15.878 134 1HG1 VAL 18 HG13 VAL 18 -0.095 -14.214 -14.214 135 2HG1 VAL 18 HG12 VAL 18 1.393 -13.649 -13.649 136 3HG1 VAL 18 HG11 VAL 18 1.317 -13.837 -13.837 137 1HG2 VAL 18 HG21 VAL 18 2.151 -16.948 -16.948 138 2HG2 VAL 18 HG23 VAL 18 2.978 -15.393 -15.393 139 3HG2 VAL 18 HG22 VAL 18 1.335 -15.474 -15.474 140 H LYS 19 HN LYS 19 1.012 -18.719 -18.719 141 HA LYS 19 HA LYS 19 2.533 -20.130 -20.130 142 1HB LYS 19 HB2 LYS 19 2.785 -20.363 -20.363 143 2HB LYS 19 HB1 LYS 19 1.215 -21.158 -21.158 144 1HG LYS 19 HG2 LYS 19 2.000 -23.028 -23.028 145 2HG LYS 19 HG1 LYS 19 3.468 -22.181 -22.181 146 1HD LYS 19 HD2 LYS 19 2.944 -22.532 -22.532 147 2HD LYS 19 HD1 LYS 19 3.522 -23.920 -23.920 148 1HE LYS 19 HE2 LYS 19 5.504 -22.734 -22.734 149 2HE LYS 19 HE1 LYS 19 4.894 -21.213 -21.213 150 1HZ LYS 19 HZ2 LYS 19 4.766 -22.671 -22.671 151 2HZ LYS 19 HZ1 LYS 19 6.003 -23.536 -23.536 152 3HZ LYS 19 HZ3 LYS 19 6.201 -21.883 -21.883 153 H ASP 20 HN ASP 20 -0.832 -20.039 -20.039 154 HA ASP 20 HA ASP 20 -1.577 -22.550 -22.550 155 1HB ASP 20 HB2 ASP 20 -2.905 -21.172 -21.172 156 2HB ASP 20 HB1 ASP 20 -3.369 -20.145 -20.145 157 H TYR 21 HN TYR 21 -2.063 -19.209 -19.209 158 HA TYR 21 HA TYR 21 -3.114 -20.148 -20.148 159 1HB TYR 21 HB2 TYR 21 -2.961 -17.970 -17.970 160 2HB TYR 21 HB1 TYR 21 -3.076 -17.755 -17.755 161 HD1 TYR 21 HD1 TYR 21 -1.096 -17.310 -17.310 162 HD2 TYR 21 HD2 TYR 21 -0.971 -17.325 -17.325 163 HE1 TYR 21 HE1 TYR 21 1.024 -16.054 -16.054 164 HE2 TYR 21 HE2 TYR 21 1.172 -16.068 -16.068 165 HH TYR 21 HH TYR 21 3.143 -15.905 -15.905 166 H VAL 22 HN VAL 22 0.328 -19.333 -19.333 167 HA VAL 22 HA VAL 22 1.131 -20.103 -20.103 168 HB VAL 22 HB VAL 22 2.480 -18.663 -18.663 169 1HG1 VAL 22 HG12 VAL 22 2.327 -20.202 -20.202 170 2HG1 VAL 22 HG11 VAL 22 3.319 -21.371 -21.371 171 3HG1 VAL 22 HG13 VAL 22 3.991 -19.804 -19.804 172 1HG2 VAL 22 HG21 VAL 22 3.619 -20.966 -20.966 173 2HG2 VAL 22 HG23 VAL 22 3.563 -19.254 -19.254 174 3HG2 VAL 22 HG22 VAL 22 4.680 -19.817 -19.817 175 H ALA 23 HN ALA 23 0.207 -21.911 -21.911 176 HA ALA 23 HA ALA 23 1.714 -24.286 -24.286 177 1HB ALA 23 HB1 ALA 23 -0.132 -23.716 -23.716 178 2HB ALA 23 HB3 ALA 23 -1.267 -24.288 -24.288 179 3HB ALA 23 HB2 ALA 23 -0.049 -25.384 -25.384 180 H LYS 24 HN LYS 24 -0.705 -22.823 -22.823 181 HA LYS 24 HA LYS 24 -1.674 -25.003 -25.003 182 1HB LYS 24 HB2 LYS 24 -1.342 -22.074 -22.074 183 2HB LYS 24 HB1 LYS 24 -1.771 -23.130 -23.130 184 1HG LYS 24 HG2 LYS 24 -3.289 -23.284 -23.284 185 2HG LYS 24 HG1 LYS 24 -3.689 -22.050 -22.050 186 1HD LYS 24 HD2 LYS 24 -4.558 -23.572 -23.572 187 2HD LYS 24 HD1 LYS 24 -3.410 -24.831 -24.831 188 1HE LYS 24 HE2 LYS 24 -4.657 -25.314 -25.314 189 2HE LYS 24 HE1 LYS 24 -5.728 -23.941 -23.941 190 1HZ LYS 24 HZ1 LYS 24 -5.506 -25.910 -25.910 191 2HZ LYS 24 HZ3 LYS 24 -6.339 -26.395 -26.395 192 3HZ LYS 24 HZ2 LYS 24 -6.859 -25.029 -25.029 193 H GLY 25 HN GLY 25 0.600 -22.730 -22.730 194 1HA GLY 25 HA2 GLY 25 2.481 -24.898 -24.898 195 2HA GLY 25 HA1 GLY 25 1.555 -24.400 -24.400 196 H GLU 26 HN GLU 26 3.795 -23.251 -23.251 197 HA GLU 26 HA GLU 26 5.109 -21.268 -21.268 198 1HB GLU 26 HB2 GLU 26 6.730 -21.418 -21.418 199 2HB GLU 26 HB1 GLU 26 6.711 -22.726 -22.726 200 1HG GLU 26 HG2 GLU 26 5.221 -24.038 -24.038 201 2HG GLU 26 HG1 GLU 26 5.164 -22.720 -22.720 202 H ASP 27 HN ASP 27 3.967 -19.388 -19.388 203 HA ASP 27 HA ASP 27 3.894 -18.168 -18.168 204 1HB ASP 27 HB2 ASP 27 1.568 -18.480 -18.480 205 2HB ASP 27 HB1 ASP 27 1.625 -17.133 -17.133 206 H VAL 28 HN VAL 28 5.763 -17.819 -17.819 207 HA VAL 28 HA VAL 28 5.015 -15.392 -15.392 208 HB VAL 28 HB VAL 28 7.344 -15.643 -15.643 209 1HG1 VAL 28 HG11 VAL 28 5.330 -16.663 -16.663 210 2HG1 VAL 28 HG13 VAL 28 5.567 -18.100 -18.100 211 3HG1 VAL 28 HG12 VAL 28 6.755 -17.675 -17.675 212 1HG2 VAL 28 HG23 VAL 28 7.943 -17.006 -17.006 213 2HG2 VAL 28 HG22 VAL 28 8.785 -17.302 -17.302 214 3HG2 VAL 28 HG21 VAL 28 7.471 -18.369 -18.369 215 H ASN 29 HN ASN 29 4.711 -14.202 -14.202 216 HA ASN 29 HA ASN 29 6.873 -12.423 -12.423 217 1HB ASN 29 HB2 ASN 29 7.089 -13.161 -13.161 218 2HB ASN 29 HB1 ASN 29 8.019 -14.022 -14.022 219 1HD2 ASN 29 HD21 ASN 29 7.030 -16.115 -16.115 220 2HD2 ASN 29 HD22 ASN 29 6.028 -16.996 -16.996 221 H ARG 30 HN ARG 30 3.996 -12.484 -12.484 222 HA ARG 30 HA ARG 30 2.926 -11.210 -11.210 223 1HB ARG 30 HB2 ARG 30 1.362 -12.144 -12.144 224 2HB ARG 30 HB1 ARG 30 0.722 -11.695 -11.695 225 1HG ARG 30 HG2 ARG 30 2.134 -13.597 -13.597 226 2HG ARG 30 HG1 ARG 30 2.366 -14.132 -14.132 227 1HD ARG 30 HD2 ARG 30 -0.229 -13.891 -13.891 228 2HD ARG 30 HD1 ARG 30 0.477 -15.350 -15.350 229 HE ARG 30 HE ARG 30 -1.278 -13.513 -13.513 230 1HH1 ARG 30 HH21 ARG 30 1.632 -15.295 -15.295 231 2HH1 ARG 30 HH22 ARG 30 1.543 -15.150 -15.150 232 1HH2 ARG 30 HH11 ARG 30 -1.404 -13.336 -13.336 233 2HH2 ARG 30 HH12 ARG 30 -0.170 -14.048 -14.048 234 H THR 31 HN THR 31 2.206 -9.089 -9.089 235 HA THR 31 HA THR 31 3.300 -7.357 -7.357 236 HB THR 31 HB THR 31 0.732 -6.892 -6.892 237 HG1 THR 31 HG1 THR 31 2.351 -7.439 -7.439 238 1HG2 THR 31 HG22 THR 31 2.753 -5.096 -5.096 239 2HG2 THR 31 HG21 THR 31 1.619 -4.500 -4.500 240 3HG2 THR 31 HG23 THR 31 1.015 -5.188 -5.188 241 H LEU 32 HN LEU 32 2.501 -6.561 -6.561 242 HA LEU 32 HA LEU 32 0.825 -8.259 -8.259 243 1HB LEU 32 HB2 LEU 32 2.558 -6.423 -6.423 244 2HB LEU 32 HB1 LEU 32 1.167 -5.340 -5.340 245 HG LEU 32 HG LEU 32 0.159 -7.474 -7.474 246 1HD1 LEU 32 HD11 LEU 32 3.078 -7.108 -7.108 247 2HD1 LEU 32 HD13 LEU 32 1.887 -7.924 -7.924 248 3HD1 LEU 32 HD12 LEU 32 2.307 -8.593 -8.593 249 1HD2 LEU 32 HD22 LEU 32 1.501 -4.910 -4.910 250 2HD2 LEU 32 HD21 LEU 32 -0.224 -5.229 -5.229 251 3HD2 LEU 32 HD23 LEU 32 0.675 -5.973 -5.973 252 H GLU 33 HN GLU 33 -0.557 -5.605 -5.605 253 HA GLU 33 HA GLU 33 -3.100 -6.191 -6.191 254 1HB GLU 33 HB2 GLU 33 -3.253 -5.705 -5.705 255 2HB GLU 33 HB1 GLU 33 -2.162 -4.328 -4.328 256 1HG GLU 33 HG2 GLU 33 -4.798 -4.297 -4.297 257 2HG GLU 33 HG1 GLU 33 -4.722 -3.891 -3.891 258 H GLY 34 HN GLY 34 -0.500 -4.049 -4.049 259 1HA GLY 34 HA2 GLY 34 -2.168 -2.845 -2.845 260 2HA GLY 34 HA1 GLY 34 -1.581 -1.707 -1.707 261 H GLY 35 HN GLY 35 0.850 -1.761 -1.761 262 1HA GLY 35 HA2 GLY 35 2.297 -2.436 -2.436 263 2HA GLY 35 HA1 GLY 35 2.434 -0.822 -0.822 264 H ARG 36 HN ARG 36 2.193 -3.429 -3.429 265 HA ARG 36 HA ARG 36 5.118 -3.147 -3.147 266 1HB ARG 36 HB2 ARG 36 2.939 -4.043 -4.043 267 2HB ARG 36 HB1 ARG 36 4.612 -3.652 -3.652 268 1HG ARG 36 HG2 ARG 36 2.732 -1.634 -1.634 269 2HG ARG 36 HG1 ARG 36 2.881 -1.830 -1.830 270 1HD ARG 36 HD2 ARG 36 4.397 -0.095 -0.095 271 2HD ARG 36 HD1 ARG 36 5.429 -1.521 -1.521 272 HE ARG 36 HE ARG 36 4.772 -1.395 -1.395 273 1HH1 ARG 36 HH21 ARG 36 6.025 0.793 0.793 274 2HH1 ARG 36 HH22 ARG 36 6.976 1.684 1.684 275 1HH2 ARG 36 HH11 ARG 36 6.013 -0.246 -0.246 276 2HH2 ARG 36 HH12 ARG 36 6.971 1.095 1.095 277 H LYS 37 HN LYS 37 5.588 -5.316 -5.316 278 HA LYS 37 HA LYS 37 4.680 -7.701 -7.701 279 1HB LYS 37 HB2 LYS 37 7.183 -8.475 -8.475 280 2HB LYS 37 HB1 LYS 37 6.761 -7.383 -7.383 281 1HG LYS 37 HG2 LYS 37 8.632 -6.311 -6.311 282 2HG LYS 37 HG1 LYS 37 7.356 -5.504 -5.504 283 1HD LYS 37 HD2 LYS 37 7.673 -7.212 -7.212 284 2HD LYS 37 HD1 LYS 37 9.037 -7.859 -7.859 285 1HE LYS 37 HE2 LYS 37 9.441 -6.090 -6.090 286 2HE LYS 37 HE1 LYS 37 10.377 -6.008 -6.008 287 1HZ LYS 37 HZ3 LYS 37 7.825 -4.550 -4.550 288 2HZ LYS 37 HZ2 LYS 37 9.254 -3.893 -3.893 289 3HZ LYS 37 HZ1 LYS 37 9.145 -4.232 -4.232 290 HA PRO 38 HA PRO 38 4.167 -9.474 -9.474 291 1HB PRO 38 HB2 PRO 38 4.878 -12.139 -12.139 292 2HB PRO 38 HB1 PRO 38 3.305 -11.409 -11.409 293 1HG PRO 38 HG2 PRO 38 5.479 -12.137 -12.137 294 2HG PRO 38 HG1 PRO 38 3.746 -11.951 -11.951 295 1HD PRO 38 HD2 PRO 38 5.737 -10.095 -10.095 296 2HD PRO 38 HD1 PRO 38 3.993 -9.766 -9.766 297 H LEU 39 HN LEU 39 6.945 -8.303 -8.303 298 HA LEU 39 HA LEU 39 8.343 -10.140 -10.140 299 1HB LEU 39 HB2 LEU 39 9.248 -9.990 -9.990 300 2HB LEU 39 HB1 LEU 39 9.865 -8.429 -8.429 301 HG LEU 39 HG LEU 39 11.627 -9.368 -9.368 302 1HD1 LEU 39 HD11 LEU 39 10.278 -10.108 -10.108 303 2HD1 LEU 39 HD13 LEU 39 9.906 -11.610 -11.610 304 3HD1 LEU 39 HD12 LEU 39 11.571 -11.239 -11.239 305 1HD2 LEU 39 HD22 LEU 39 11.371 -10.718 -10.718 306 2HD2 LEU 39 HD21 LEU 39 12.355 -11.463 -11.463 307 3HD2 LEU 39 HD23 LEU 39 10.697 -12.007 -12.007 308 H HIS 40 HN HIS 40 7.544 -6.873 -6.873 309 HA HIS 40 HA HIS 40 9.352 -5.497 -5.497 310 1HB HIS 40 HB2 HIS 40 8.255 -4.342 -4.342 311 2HB HIS 40 HB1 HIS 40 6.675 -4.635 -4.635 312 HD1 HIS 40 HD1 HIS 40 9.938 -3.268 -3.268 313 HD2 HIS 40 HD2 HIS 40 5.900 -2.268 -2.268 314 HE1 HIS 40 HE1 HIS 40 9.645 -1.104 -1.104 315 H TYR 41 HN TYR 41 5.925 -6.424 -6.424 316 HA TYR 41 HA TYR 41 5.644 -5.440 -5.440 317 1HB TYR 41 HB2 TYR 41 4.108 -7.720 -7.720 318 2HB TYR 41 HB1 TYR 41 3.563 -6.645 -6.645 319 HD1 TYR 41 HD1 TYR 41 4.635 -6.711 -6.711 320 HD2 TYR 41 HD2 TYR 41 2.548 -4.572 -4.572 321 HE1 TYR 41 HE1 TYR 41 3.828 -5.084 -5.084 322 HE2 TYR 41 HE2 TYR 41 1.732 -2.949 -2.949 323 HH TYR 41 HH TYR 41 1.909 -2.252 -2.252 324 H ALA 42 HN ALA 42 6.569 -8.524 -8.524 325 HA ALA 42 HA ALA 42 6.734 -9.958 -9.958 326 1HB ALA 42 HB3 ALA 42 6.704 -10.944 -10.944 327 2HB ALA 42 HB2 ALA 42 8.397 -10.463 -10.463 328 3HB ALA 42 HB1 ALA 42 7.894 -11.643 -11.643 329 H ALA 43 HN ALA 43 9.306 -8.753 -8.753 330 HA ALA 43 HA ALA 43 11.465 -8.852 -8.852 331 1HB ALA 43 HB3 ALA 43 11.599 -8.212 -8.212 332 2HB ALA 43 HB2 ALA 43 10.849 -6.664 -6.664 333 3HB ALA 43 HB1 ALA 43 12.445 -7.056 -7.056 334 H ASP 44 HN ASP 44 9.529 -5.915 -5.915 335 HA ASP 44 HA ASP 44 10.525 -4.318 -4.318 336 1HB ASP 44 HB2 ASP 44 9.003 -3.593 -3.593 337 2HB ASP 44 HB1 ASP 44 7.659 -4.297 -4.297 338 H CYS 45 HN CYS 45 7.849 -6.688 -6.688 339 HA CYS 45 HA CYS 45 8.192 -6.736 -6.736 340 1HB CYS 45 HB2 CYS 45 5.590 -5.848 -5.848 341 2HB CYS 45 HB1 CYS 45 5.802 -6.211 -6.211 342 HG CYS 45 HG CYS 45 7.657 -4.011 -4.011 343 H GLY 46 HN GLY 46 8.725 -8.916 -8.916 344 1HA GLY 46 HA2 GLY 46 6.215 -10.556 -10.556 345 2HA GLY 46 HA1 GLY 46 7.693 -10.923 -10.923 346 H GLN 47 HN GLN 47 8.041 -9.839 -9.839 347 HA GLN 47 HA GLN 47 8.920 -10.967 -10.967 348 1HB GLN 47 HB2 GLN 47 7.531 -13.478 -13.478 349 2HB GLN 47 HB1 GLN 47 7.699 -12.813 -12.813 350 1HG GLN 47 HG2 GLN 47 6.303 -10.801 -10.801 351 2HG GLN 47 HG1 GLN 47 5.746 -12.089 -12.089 352 1HE2 GLN 47 HE21 GLN 47 3.792 -11.043 -11.043 353 2HE2 GLN 47 HE22 GLN 47 3.377 -12.048 -12.048 354 H LEU 48 HN LEU 48 9.855 -11.214 -11.214 355 HA LEU 48 HA LEU 48 11.711 -11.936 -11.936 356 1HB LEU 48 HB2 LEU 48 12.542 -12.795 -12.795 357 2HB LEU 48 HB1 LEU 48 13.588 -12.781 -12.781 358 HG LEU 48 HG LEU 48 14.080 -10.633 -10.633 359 1HD1 LEU 48 HD13 LEU 48 12.211 -10.114 -10.114 360 2HD1 LEU 48 HD12 LEU 48 11.175 -9.809 -9.809 361 3HD1 LEU 48 HD11 LEU 48 12.615 -8.824 -8.824 362 1HD2 LEU 48 HD21 LEU 48 11.799 -10.679 -10.679 363 2HD2 LEU 48 HD23 LEU 48 13.483 -11.075 -11.075 364 3HD2 LEU 48 HD22 LEU 48 13.036 -9.424 -9.424 365 H GLU 49 HN GLU 49 9.516 -14.021 -14.021 366 HA GLU 49 HA GLU 49 10.991 -16.442 -16.442 367 1HB GLU 49 HB2 GLU 49 8.460 -17.337 -17.337 368 2HB GLU 49 HB1 GLU 49 9.762 -17.277 -17.277 369 1HG GLU 49 HG2 GLU 49 9.038 -15.113 -15.113 370 2HG GLU 49 HG1 GLU 49 7.833 -15.000 -15.000 371 H ILE 50 HN ILE 50 8.281 -14.346 -14.346 372 HA ILE 50 HA ILE 50 7.283 -15.772 -15.772 373 HB ILE 50 HB ILE 50 7.190 -12.793 -12.793 374 1HG1 ILE 50 HG12 ILE 50 5.971 -15.062 -15.062 375 2HG1 ILE 50 HG11 ILE 50 6.068 -13.381 -13.381 376 1HG2 ILE 50 HG23 ILE 50 6.561 -13.801 -13.801 377 2HG2 ILE 50 HG22 ILE 50 5.129 -14.421 -14.421 378 3HG2 ILE 50 HG21 ILE 50 5.425 -12.685 -12.685 379 1HD1 ILE 50 HD12 ILE 50 4.006 -14.254 -14.254 380 2HD1 ILE 50 HD11 ILE 50 3.723 -14.468 -14.468 381 3HD1 ILE 50 HD13 ILE 50 3.982 -12.854 -12.854 382 H LEU 51 HN LEU 51 9.543 -12.966 -12.966 383 HA LEU 51 HA LEU 51 9.823 -12.759 -12.759 384 1HB LEU 51 HB2 LEU 51 12.430 -12.335 -12.335 385 2HB LEU 51 HB1 LEU 51 11.172 -11.119 -11.119 386 HG LEU 51 HG LEU 51 12.501 -11.107 -11.107 387 1HD1 LEU 51 HD11 LEU 51 9.713 -11.245 -11.245 388 2HD1 LEU 51 HD13 LEU 51 10.173 -12.277 -12.277 389 3HD1 LEU 51 HD12 LEU 51 10.707 -10.601 -10.601 390 1HD2 LEU 51 HD21 LEU 51 13.001 -13.648 -13.648 391 2HD2 LEU 51 HD23 LEU 51 12.942 -12.953 -12.953 392 3HD2 LEU 51 HD22 LEU 51 11.565 -13.867 -13.867 393 H GLU 52 HN GLU 52 11.977 -14.894 -14.894 394 HA GLU 52 HA GLU 52 13.200 -16.031 -16.031 395 1HB GLU 52 HB2 GLU 52 13.714 -17.999 -17.999 396 2HB GLU 52 HB1 GLU 52 14.257 -16.427 -16.427 397 1HG GLU 52 HG2 GLU 52 13.291 -17.372 -17.372 398 2HG GLU 52 HG1 GLU 52 11.992 -16.355 -16.355 399 H PHE 53 HN PHE 53 10.044 -16.667 -16.667 400 HA PHE 53 HA PHE 53 9.670 -19.291 -19.291 401 1HB PHE 53 HB2 PHE 53 8.056 -18.424 -18.424 402 2HB PHE 53 HB1 PHE 53 7.668 -17.072 -17.072 403 HD1 PHE 53 HD1 PHE 53 7.926 -20.816 -20.816 404 HD2 PHE 53 HD2 PHE 53 5.699 -17.272 -17.272 405 HE1 PHE 53 HE1 PHE 53 6.241 -22.197 -22.197 406 HE2 PHE 53 HE2 PHE 53 4.010 -18.652 -18.652 407 HZ PHE 53 HZ PHE 53 4.283 -21.116 -21.116 408 H LEU 54 HN LEU 54 7.764 -16.688 -16.688 409 HA LEU 54 HA LEU 54 7.487 -17.920 -17.920 410 1HB LEU 54 HB2 LEU 54 6.741 -15.768 -15.768 411 2HB LEU 54 HB1 LEU 54 6.089 -16.059 -16.059 412 HG LEU 54 HG LEU 54 6.707 -13.855 -13.855 413 1HD1 LEU 54 HD13 LEU 54 7.973 -15.055 -15.055 414 2HD1 LEU 54 HD12 LEU 54 9.336 -15.212 -15.212 415 3HD1 LEU 54 HD11 LEU 54 8.834 -13.618 -13.618 416 1HD2 LEU 54 HD23 LEU 54 7.646 -13.710 -13.710 417 2HD2 LEU 54 HD22 LEU 54 8.486 -12.723 -12.723 418 3HD2 LEU 54 HD21 LEU 54 9.195 -14.244 -14.244 419 H LEU 55 HN LEU 55 10.359 -16.812 -16.812 420 HA LEU 55 HA LEU 55 11.540 -16.030 -16.030 421 1HB LEU 55 HB2 LEU 55 12.033 -15.055 -15.055 422 2HB LEU 55 HB1 LEU 55 13.090 -16.453 -16.453 423 HG LEU 55 HG LEU 55 13.211 -14.411 -14.411 424 1HD1 LEU 55 HD13 LEU 55 14.759 -14.725 -14.725 425 2HD1 LEU 55 HD12 LEU 55 15.432 -13.863 -13.863 426 3HD1 LEU 55 HD11 LEU 55 13.949 -13.287 -13.287 427 1HD2 LEU 55 HD21 LEU 55 14.669 -16.957 -16.957 428 2HD2 LEU 55 HD23 LEU 55 14.186 -16.288 -16.288 429 3HD2 LEU 55 HD22 LEU 55 15.587 -15.629 -15.629 430 H LEU 56 HN LEU 56 11.612 -18.667 -18.667 431 HA LEU 56 HA LEU 56 13.665 -20.157 -20.157 432 1HB LEU 56 HB2 LEU 56 13.360 -21.740 -21.740 433 2HB LEU 56 HB1 LEU 56 12.496 -20.419 -20.419 434 HG LEU 56 HG LEU 56 10.426 -21.447 -21.447 435 1HD1 LEU 56 HD11 LEU 56 12.022 -23.211 -23.211 436 2HD1 LEU 56 HD13 LEU 56 12.049 -23.934 -23.934 437 3HD1 LEU 56 HD12 LEU 56 10.529 -23.813 -23.813 438 1HD2 LEU 56 HD23 LEU 56 11.592 -22.661 -22.661 439 2HD2 LEU 56 HD22 LEU 56 10.603 -21.202 -21.202 440 3HD2 LEU 56 HD21 LEU 56 9.903 -22.764 -22.764 441 H LYS 57 HN LYS 57 10.208 -19.908 -19.908 442 HA LYS 57 HA LYS 57 10.010 -22.151 -22.151 443 1HB LYS 57 HB2 LYS 57 8.304 -19.861 -19.861 444 2HB LYS 57 HB1 LYS 57 8.084 -20.355 -20.355 445 1HG LYS 57 HG2 LYS 57 6.509 -21.609 -21.609 446 2HG LYS 57 HG1 LYS 57 7.787 -22.734 -22.734 447 1HD LYS 57 HD2 LYS 57 8.818 -22.560 -22.560 448 2HD LYS 57 HD1 LYS 57 7.747 -21.236 -21.236 449 1HE LYS 57 HE2 LYS 57 6.662 -23.948 -23.948 450 2HE LYS 57 HE1 LYS 57 7.151 -23.584 -23.584 451 1HZ LYS 57 HZ3 LYS 57 5.622 -21.446 -21.446 452 2HZ LYS 57 HZ2 LYS 57 4.799 -22.801 -22.801 453 3HZ LYS 57 HZ1 LYS 57 5.153 -22.694 -22.694 454 H GLY 58 HN GLY 58 9.284 -18.966 -18.966 455 1HA GLY 58 HA2 GLY 58 11.143 -19.393 -19.393 456 2HA GLY 58 HA1 GLY 58 9.952 -18.091 -18.091 457 H ALA 59 HN ALA 59 10.864 -16.105 -16.105 458 HA ALA 59 HA ALA 59 12.524 -15.522 -15.522 459 1HB ALA 59 HB2 ALA 59 14.044 -16.355 -16.355 460 2HB ALA 59 HB1 ALA 59 14.713 -15.128 -15.128 461 3HB ALA 59 HB3 ALA 59 14.351 -16.743 -16.743 462 H ASP 60 HN ASP 60 11.041 -13.785 -13.785 463 HA ASP 60 HA ASP 60 11.281 -11.852 -11.852 464 1HB ASP 60 HB2 ASP 60 9.146 -12.158 -12.158 465 2HB ASP 60 HB1 ASP 60 9.963 -11.584 -11.584 466 H ILE 61 HN ILE 61 13.263 -12.854 -12.854 467 HA ILE 61 HA ILE 61 14.221 -10.748 -10.748 468 HB ILE 61 HB ILE 61 14.906 -13.188 -13.188 469 1HG1 ILE 61 HG12 ILE 61 16.957 -10.975 -10.975 470 2HG1 ILE 61 HG11 ILE 61 16.116 -11.717 -11.717 471 1HG2 ILE 61 HG21 ILE 61 15.395 -12.960 -12.960 472 2HG2 ILE 61 HG23 ILE 61 16.977 -12.390 -12.390 473 3HG2 ILE 61 HG22 ILE 61 16.419 -14.001 -14.001 474 1HD1 ILE 61 HD13 ILE 61 17.262 -13.924 -13.924 475 2HD1 ILE 61 HD12 ILE 61 18.450 -12.724 -12.724 476 3HD1 ILE 61 HD11 ILE 61 18.071 -12.909 -12.909 477 H ASN 62 HN ASN 62 14.662 -11.355 -11.355 478 HA ASN 62 HA ASN 62 16.249 -8.852 -8.852 479 1HB ASN 62 HB2 ASN 62 17.513 -9.985 -9.985 480 2HB ASN 62 HB1 ASN 62 17.841 -10.639 -10.639 481 1HD2 ASN 62 HD21 ASN 62 14.803 -11.759 -11.759 482 2HD2 ASN 62 HD22 ASN 62 15.163 -13.233 -13.233 483 H ALA 63 HN ALA 63 14.050 -11.131 -11.131 484 HA ALA 63 HA ALA 63 13.396 -10.427 -10.427 485 1HB ALA 63 HB3 ALA 63 11.877 -11.718 -11.718 486 2HB ALA 63 HB2 ALA 63 11.225 -10.188 -10.188 487 3HB ALA 63 HB1 ALA 63 11.031 -10.637 -10.637 488 HA PRO 64 HA PRO 64 11.147 -6.039 -6.039 489 1HB PRO 64 HB2 PRO 64 13.943 -5.500 -5.500 490 2HB PRO 64 HB1 PRO 64 12.398 -4.856 -4.856 491 1HG PRO 64 HG2 PRO 64 13.779 -7.138 -7.138 492 2HG PRO 64 HG1 PRO 64 12.133 -6.636 -6.636 493 1HD PRO 64 HD2 PRO 64 12.779 -9.027 -9.027 494 2HD PRO 64 HD1 PRO 64 11.183 -8.231 -8.231 495 H ASP 65 HN ASP 65 11.016 -4.585 -4.585 496 HA ASP 65 HA ASP 65 13.326 -4.081 -4.081 497 1HB ASP 65 HB2 ASP 65 10.611 -5.121 -5.121 498 2HB ASP 65 HB1 ASP 65 11.573 -4.160 -4.160 499 H LYS 66 HN LYS 66 9.911 -3.216 -3.216 500 HA LYS 66 HA LYS 66 10.380 -0.451 -0.451 501 1HB LYS 66 HB2 LYS 66 8.238 -1.820 -1.820 502 2HB LYS 66 HB1 LYS 66 7.949 -1.556 -1.556 503 1HG LYS 66 HG2 LYS 66 6.846 0.245 0.245 504 2HG LYS 66 HG1 LYS 66 8.414 0.955 0.955 505 1HD LYS 66 HD2 LYS 66 9.091 0.725 0.725 506 2HD LYS 66 HD1 LYS 66 7.662 -0.240 -0.240 507 1HE LYS 66 HE2 LYS 66 6.206 1.667 1.667 508 2HE LYS 66 HE1 LYS 66 7.583 2.639 2.639 509 1HZ LYS 66 HZ3 LYS 66 8.220 1.625 1.625 510 2HZ LYS 66 HZ2 LYS 66 6.622 2.191 2.191 511 3HZ LYS 66 HZ1 LYS 66 7.860 3.233 3.233 512 H HIS 67 HN HIS 67 10.542 -2.331 -2.331 513 HA HIS 67 HA HIS 67 10.154 -0.135 -0.135 514 1HB HIS 67 HB2 HIS 67 11.484 -2.780 -2.780 515 2HB HIS 67 HB1 HIS 67 10.513 -1.784 -1.784 516 HD1 HIS 67 HD1 HIS 67 8.200 -1.310 -1.310 517 HD2 HIS 67 HD2 HIS 67 9.711 -4.998 -4.998 518 HE1 HIS 67 HE1 HIS 67 6.390 -3.018 -3.018 519 H HIS 68 HN HIS 68 12.569 -1.036 -1.036 520 HA HIS 68 HA HIS 68 14.893 -0.664 -0.664 521 1HB HIS 68 HB2 HIS 68 14.091 1.818 1.818 522 2HB HIS 68 HB1 HIS 68 15.469 1.637 1.637 523 HD1 HIS 68 HD1 HIS 68 13.885 0.062 0.062 524 HD2 HIS 68 HD2 HIS 68 12.679 3.659 3.659 525 HE1 HIS 68 HE1 HIS 68 12.330 1.169 1.169 526 H ILE 69 HN ILE 69 13.734 -1.948 -1.948 527 HA ILE 69 HA ILE 69 16.279 -1.875 -1.875 528 HB ILE 69 HB ILE 69 14.300 -0.102 -0.102 529 1HG1 ILE 69 HG12 ILE 69 16.724 0.050 0.050 530 2HG1 ILE 69 HG11 ILE 69 15.828 0.286 0.286 531 1HG2 ILE 69 HG21 ILE 69 13.027 -1.981 -1.981 532 2HG2 ILE 69 HG23 ILE 69 14.463 -2.389 -2.389 533 3HG2 ILE 69 HG22 ILE 69 13.661 -0.839 -0.839 534 1HD1 ILE 69 HD13 ILE 69 16.189 -2.340 -2.340 535 2HD1 ILE 69 HD12 ILE 69 17.556 -2.018 -2.018 536 3HD1 ILE 69 HD11 ILE 69 17.446 -1.205 -1.205 537 H THR 70 HN THR 70 16.443 -3.438 -3.438 538 HA THR 70 HA THR 70 14.625 -5.755 -5.755 539 HB THR 70 HB THR 70 16.698 -6.532 -6.532 540 HG1 THR 70 HG1 THR 70 16.330 -7.883 -7.883 541 1HG2 THR 70 HG21 THR 70 17.765 -4.506 -4.506 542 2HG2 THR 70 HG23 THR 70 18.820 -5.670 -5.670 543 3HG2 THR 70 HG22 THR 70 17.909 -4.494 -4.494 544 HA PRO 71 HA PRO 71 13.452 -5.249 -5.249 545 1HB PRO 71 HB2 PRO 71 13.564 -8.094 -8.094 546 2HB PRO 71 HB1 PRO 71 12.156 -7.055 -7.055 547 1HG PRO 71 HG2 PRO 71 12.885 -9.003 -9.003 548 2HG PRO 71 HG1 PRO 71 12.123 -7.489 -7.489 549 1HD PRO 71 HD2 PRO 71 15.043 -8.224 -8.224 550 2HD PRO 71 HD1 PRO 71 14.074 -7.399 -7.399 551 H LEU 72 HN LEU 72 16.627 -6.735 -6.735 552 HA LEU 72 HA LEU 72 17.034 -7.122 -7.122 553 1HB LEU 72 HB2 LEU 72 19.370 -5.918 -5.918 554 2HB LEU 72 HB1 LEU 72 19.259 -7.379 -7.379 555 HG LEU 72 HG LEU 72 19.878 -8.139 -8.139 556 1HD1 LEU 72 HD11 LEU 72 16.991 -8.557 -8.557 557 2HD1 LEU 72 HD13 LEU 72 17.550 -8.949 -8.949 558 3HD1 LEU 72 HD12 LEU 72 18.300 -9.722 -9.722 559 1HD2 LEU 72 HD23 LEU 72 17.944 -6.134 -6.134 560 2HD2 LEU 72 HD22 LEU 72 19.700 -6.140 -6.140 561 3HD2 LEU 72 HD21 LEU 72 18.759 -7.368 -7.368 562 H LEU 73 HN LEU 73 17.310 -4.172 -4.172 563 HA LEU 73 HA LEU 73 18.162 -2.613 -2.613 564 1HB LEU 73 HB2 LEU 73 16.858 -1.580 -1.580 565 2HB LEU 73 HB1 LEU 73 17.860 -0.669 -0.669 566 HG LEU 73 HG LEU 73 19.614 -2.551 -2.551 567 1HD1 LEU 73 HD13 LEU 73 17.546 -3.261 -3.261 568 2HD1 LEU 73 HD12 LEU 73 19.026 -2.868 -2.868 569 3HD1 LEU 73 HD11 LEU 73 19.051 -4.107 -4.107 570 1HD2 LEU 73 HD23 LEU 73 18.913 -0.200 -0.200 571 2HD2 LEU 73 HD22 LEU 73 20.201 -0.361 -0.361 572 3HD2 LEU 73 HD21 LEU 73 20.337 -1.187 -1.187 573 H SER 74 HN SER 74 15.131 -3.780 -3.780 574 HA SER 74 HA SER 74 13.456 -1.810 -1.810 575 1HB SER 74 HB2 SER 74 12.597 -3.590 -3.590 576 2HB SER 74 HB1 SER 74 12.946 -4.790 -4.790 577 HG SER 74 HG SER 74 11.040 -4.299 -4.299 578 H ALA 75 HN ALA 75 14.822 -4.798 -4.798 579 HA ALA 75 HA ALA 75 13.734 -4.244 -4.244 580 1HB ALA 75 HB3 ALA 75 15.846 -6.157 -6.157 581 2HB ALA 75 HB2 ALA 75 15.471 -5.998 -5.998 582 3HB ALA 75 HB1 ALA 75 14.223 -6.524 -6.524 583 H VAL 76 HN VAL 76 16.776 -3.488 -3.488 584 HA VAL 76 HA VAL 76 18.484 -2.768 -2.768 585 HB VAL 76 HB VAL 76 17.880 -1.459 -1.459 586 1HG1 VAL 76 HG13 VAL 76 19.064 0.104 0.104 587 2HG1 VAL 76 HG12 VAL 76 20.473 -0.810 -0.810 588 3HG1 VAL 76 HG11 VAL 76 19.527 0.127 0.127 589 1HG2 VAL 76 HG22 VAL 76 18.867 -3.687 -3.687 590 2HG2 VAL 76 HG21 VAL 76 20.025 -2.502 -2.502 591 3HG2 VAL 76 HG23 VAL 76 20.173 -3.113 -3.113 592 H TYR 77 HN TYR 77 16.435 -0.273 -0.273 593 HA TYR 77 HA TYR 77 16.606 1.379 1.379 594 1HB TYR 77 HB2 TYR 77 14.389 1.935 1.935 595 2HB TYR 77 HB1 TYR 77 15.626 3.018 3.018 596 HD1 TYR 77 HD1 TYR 77 14.804 0.543 0.543 597 HD2 TYR 77 HD2 TYR 77 17.764 3.287 3.287 598 HE1 TYR 77 HE1 TYR 77 16.023 0.368 0.368 599 HE2 TYR 77 HE2 TYR 77 18.988 3.106 3.106 600 HH TYR 77 HH TYR 77 18.231 2.480 2.480 601 H GLU 78 HN GLU 78 15.695 -1.028 -1.028 602 HA GLU 78 HA GLU 78 12.841 -0.404 -0.404 603 1HB GLU 78 HB2 GLU 78 13.363 -2.414 -2.414 604 2HB GLU 78 HB1 GLU 78 13.784 -3.249 -3.249 605 1HG GLU 78 HG2 GLU 78 11.487 -3.723 -3.723 606 2HG GLU 78 HG1 GLU 78 11.504 -2.410 -2.410 607 H GLY 79 HN GLY 79 15.911 -1.804 -1.804 608 1HA GLY 79 HA2 GLY 79 16.782 -1.730 -1.730 609 2HA GLY 79 HA1 GLY 79 15.131 -1.493 -1.493 610 H HIS 80 HN HIS 80 14.801 -3.714 -3.714 611 HA HIS 80 HA HIS 80 14.551 -5.927 -5.927 612 1HB HIS 80 HB2 HIS 80 13.936 -5.483 -5.483 613 2HB HIS 80 HB1 HIS 80 14.098 -7.139 -7.139 614 HD1 HIS 80 HD1 HIS 80 12.029 -8.111 -8.111 615 HD2 HIS 80 HD2 HIS 80 12.018 -3.972 -3.972 616 HE1 HIS 80 HE1 HIS 80 9.822 -7.524 -7.524 617 H VAL 81 HN VAL 81 16.382 -5.450 -5.450 618 HA VAL 81 HA VAL 81 18.212 -6.726 -6.726 619 HB VAL 81 HB VAL 81 20.160 -6.130 -6.130 620 1HG1 VAL 81 HG11 VAL 81 18.555 -4.466 -4.466 621 2HG1 VAL 81 HG13 VAL 81 19.691 -3.611 -3.611 622 3HG1 VAL 81 HG12 VAL 81 20.270 -4.871 -4.871 623 1HG2 VAL 81 HG21 VAL 81 18.517 -5.580 -5.580 624 2HG2 VAL 81 HG23 VAL 81 19.527 -4.202 -4.202 625 3HG2 VAL 81 HG22 VAL 81 17.867 -4.303 -4.303 626 H SER 82 HN SER 82 16.394 -8.243 -8.243 627 HA SER 82 HA SER 82 18.291 -10.267 -10.267 628 1HB SER 82 HB2 SER 82 16.496 -10.128 -10.128 629 2HB SER 82 HB1 SER 82 15.344 -9.706 -9.706 630 HG SER 82 HG SER 82 15.084 -11.774 -11.774 631 H CYS 83 HN CYS 83 16.163 -9.434 -9.434 632 HA CYS 83 HA CYS 83 16.202 -12.080 -12.080 633 1HB CYS 83 HB2 CYS 83 14.671 -11.197 -11.197 634 2HB CYS 83 HB1 CYS 83 14.290 -10.296 -10.296 635 HG CYS 83 HG CYS 83 14.600 -8.394 -8.394 636 H VAL 84 HN VAL 84 17.621 -8.838 -8.838 637 HA VAL 84 HA VAL 84 18.923 -9.173 -9.173 638 HB VAL 84 HB VAL 84 20.742 -7.752 -7.752 639 1HG1 VAL 84 HG13 VAL 84 17.899 -7.102 -7.102 640 2HG1 VAL 84 HG12 VAL 84 19.199 -5.946 -5.946 641 3HG1 VAL 84 HG11 VAL 84 18.861 -6.483 -6.483 642 1HG2 VAL 84 HG21 VAL 84 19.599 -8.678 -8.678 643 2HG2 VAL 84 HG23 VAL 84 21.286 -8.573 -8.573 644 3HG2 VAL 84 HG22 VAL 84 20.399 -7.108 -7.108 645 H LYS 85 HN LYS 85 19.903 -10.398 -10.398 646 HA LYS 85 HA LYS 85 22.309 -11.682 -11.682 647 1HB LYS 85 HB2 LYS 85 20.663 -11.488 -11.488 648 2HB LYS 85 HB1 LYS 85 21.282 -13.119 -13.119 649 1HG LYS 85 HG2 LYS 85 23.529 -12.411 -12.411 650 2HG LYS 85 HG1 LYS 85 23.123 -10.750 -10.750 651 1HD LYS 85 HD2 LYS 85 22.097 -10.375 -10.375 652 2HD LYS 85 HD1 LYS 85 22.284 -12.076 -12.076 653 1HE LYS 85 HE2 LYS 85 24.702 -10.445 -10.445 654 2HE LYS 85 HE1 LYS 85 24.042 -10.345 -10.345 655 1HZ LYS 85 HZ1 LYS 85 24.085 -13.005 -13.005 656 2HZ LYS 85 HZ3 LYS 85 25.500 -12.477 -12.477 657 3HZ LYS 85 HZ2 LYS 85 25.262 -12.149 -12.149 658 H LEU 86 HN LEU 86 19.032 -12.890 -12.890 659 HA LEU 86 HA LEU 86 19.404 -15.560 -15.560 660 1HB LEU 86 HB2 LEU 86 17.485 -14.217 -14.217 661 2HB LEU 86 HB1 LEU 86 16.793 -14.151 -14.151 662 HG LEU 86 HG LEU 86 17.674 -16.679 -16.679 663 1HD1 LEU 86 HD13 LEU 86 14.955 -15.417 -15.417 664 2HD1 LEU 86 HD12 LEU 86 15.212 -17.028 -17.028 665 3HD1 LEU 86 HD11 LEU 86 15.778 -15.603 -15.603 666 1HD2 LEU 86 HD21 LEU 86 16.435 -16.059 -16.059 667 2HD2 LEU 86 HD23 LEU 86 17.743 -17.180 -17.180 668 3HD2 LEU 86 HD22 LEU 86 16.079 -17.592 -17.592 669 H LEU 87 HN LEU 87 19.278 -12.561 -12.561 670 HA LEU 87 HA LEU 87 18.016 -13.503 -13.503 671 1HB LEU 87 HB2 LEU 87 18.871 -11.023 -11.023 672 2HB LEU 87 HB1 LEU 87 19.501 -11.133 -11.133 673 HG LEU 87 HG LEU 87 16.624 -11.636 -11.636 674 1HD1 LEU 87 HD12 LEU 87 17.991 -9.209 -9.209 675 2HD1 LEU 87 HD11 LEU 87 16.241 -9.426 -9.426 676 3HD1 LEU 87 HD13 LEU 87 17.139 -9.303 -9.303 677 1HD2 LEU 87 HD21 LEU 87 18.174 -11.842 -11.842 678 2HD2 LEU 87 HD23 LEU 87 16.737 -12.724 -12.724 679 3HD2 LEU 87 HD22 LEU 87 16.585 -11.085 -11.085 680 H LEU 88 HN LEU 88 21.312 -12.066 -12.066 681 HA LEU 88 HA LEU 88 22.068 -13.201 -13.201 682 1HB LEU 88 HB2 LEU 88 24.361 -12.801 -12.801 683 2HB LEU 88 HB1 LEU 88 23.412 -11.494 -11.494 684 HG LEU 88 HG LEU 88 25.007 -12.098 -12.098 685 1HD1 LEU 88 HD13 LEU 88 22.594 -11.831 -11.831 686 2HD1 LEU 88 HD12 LEU 88 22.521 -13.590 -13.590 687 3HD1 LEU 88 HD11 LEU 88 23.639 -12.683 -12.683 688 1HD2 LEU 88 HD22 LEU 88 25.106 -14.579 -14.579 689 2HD2 LEU 88 HD21 LEU 88 25.814 -14.187 -14.187 690 3HD2 LEU 88 HD23 LEU 88 24.220 -14.936 -14.936 691 H SER 89 HN SER 89 21.415 -14.833 -14.833 692 HA SER 89 HA SER 89 23.140 -17.086 -17.086 693 1HB SER 89 HB2 SER 89 21.536 -16.647 -16.647 694 2HB SER 89 HB1 SER 89 20.217 -17.105 -17.105 695 HG SER 89 HG SER 89 21.810 -18.674 -18.674 696 H LYS 90 HN LYS 90 20.777 -15.825 -15.825 697 HA LYS 90 HA LYS 90 20.457 -18.363 -18.363 698 1HB LYS 90 HB2 LYS 90 18.734 -15.904 -15.904 699 2HB LYS 90 HB1 LYS 90 18.495 -17.006 -17.006 700 1HG LYS 90 HG2 LYS 90 17.960 -18.815 -18.815 701 2HG LYS 90 HG1 LYS 90 18.617 -18.018 -18.018 702 1HD LYS 90 HD2 LYS 90 16.375 -16.633 -16.633 703 2HD LYS 90 HD1 LYS 90 15.972 -18.087 -18.087 704 1HE LYS 90 HE2 LYS 90 17.456 -15.684 -15.684 705 2HE LYS 90 HE1 LYS 90 15.760 -16.066 -16.066 706 1HZ LYS 90 HZ3 LYS 90 17.312 -18.338 -18.338 707 2HZ LYS 90 HZ2 LYS 90 18.000 -17.019 -17.019 708 3HZ LYS 90 HZ1 LYS 90 16.369 -17.425 -17.425 709 H GLY 91 HN GLY 91 21.644 -15.106 -15.106 710 1HA GLY 91 HA2 GLY 91 23.486 -14.980 -14.980 711 2HA GLY 91 HA1 GLY 91 22.114 -15.218 -15.218 712 H ALA 92 HN ALA 92 20.761 -13.483 -13.483 713 HA ALA 92 HA ALA 92 20.246 -11.204 -11.204 714 1HB ALA 92 HB1 ALA 92 20.067 -11.920 -11.920 715 2HB ALA 92 HB3 ALA 92 20.559 -10.231 -10.231 716 3HB ALA 92 HB2 ALA 92 19.066 -10.792 -10.792 717 H ASP 93 HN ASP 93 23.344 -12.080 -12.080 718 HA ASP 93 HA ASP 93 25.364 -10.855 -10.855 719 1HB ASP 93 HB2 ASP 93 23.729 -9.661 -9.661 720 2HB ASP 93 HB1 ASP 93 25.166 -8.785 -8.785 721 H LYS 94 HN LYS 94 24.095 -7.795 -7.795 722 HA LYS 94 HA LYS 94 23.122 -7.100 -7.100 723 1HB LYS 94 HB2 LYS 94 25.419 -7.369 -7.369 724 2HB LYS 94 HB1 LYS 94 26.000 -6.336 -6.336 725 1HG LYS 94 HG2 LYS 94 25.896 -5.056 -5.056 726 2HG LYS 94 HG1 LYS 94 24.696 -4.449 -4.449 727 1HD LYS 94 HD2 LYS 94 23.700 -6.588 -6.588 728 2HD LYS 94 HD1 LYS 94 24.181 -5.118 -5.118 729 1HE LYS 94 HE2 LYS 94 22.702 -3.941 -3.941 730 2HE LYS 94 HE1 LYS 94 21.946 -5.534 -5.534 731 1HZ LYS 94 HZ1 LYS 94 21.770 -5.388 -5.388 732 2HZ LYS 94 HZ3 LYS 94 22.147 -3.742 -3.742 733 3HZ LYS 94 HZ2 LYS 94 20.745 -4.363 -4.363 734 H THR 95 HN THR 95 24.475 -6.179 -6.179 735 HA THR 95 HA THR 95 22.709 -3.764 -3.764 736 HB THR 95 HB THR 95 24.458 -2.777 -2.777 737 HG1 THR 95 HG1 THR 95 26.531 -3.682 -3.682 738 1HG2 THR 95 HG21 THR 95 25.198 -3.303 -3.303 739 2HG2 THR 95 HG23 THR 95 25.871 -2.020 -2.020 740 3HG2 THR 95 HG22 THR 95 24.158 -2.003 -2.003 741 H VAL 96 HN VAL 96 21.691 -6.106 -6.106 742 HA VAL 96 HA VAL 96 22.188 -6.632 -6.632 743 HB VAL 96 HB VAL 96 19.794 -7.322 -7.322 744 1HG1 VAL 96 HG13 VAL 96 20.708 -8.196 -8.196 745 2HG1 VAL 96 HG12 VAL 96 19.646 -9.203 -9.203 746 3HG1 VAL 96 HG11 VAL 96 19.122 -7.595 -7.595 747 1HG2 VAL 96 HG23 VAL 96 22.295 -8.887 -8.887 748 2HG2 VAL 96 HG22 VAL 96 21.911 -8.217 -8.217 749 3HG2 VAL 96 HG21 VAL 96 20.925 -9.516 -9.516 750 H LYS 97 HN LYS 97 20.436 -4.103 -4.103 751 HA LYS 97 HA LYS 97 19.568 -3.146 -3.146 752 1HB LYS 97 HB2 LYS 97 17.841 -4.910 -4.910 753 2HB LYS 97 HB1 LYS 97 17.272 -3.553 -3.553 754 1HG LYS 97 HG2 LYS 97 15.971 -3.283 -3.283 755 2HG LYS 97 HG1 LYS 97 17.354 -2.269 -2.269 756 1HD LYS 97 HD2 LYS 97 18.355 -4.139 -4.139 757 2HD LYS 97 HD1 LYS 97 16.979 -5.160 -5.160 758 1HE LYS 97 HE2 LYS 97 16.592 -4.270 -4.270 759 2HE LYS 97 HE1 LYS 97 15.479 -3.466 -3.466 760 1HZ LYS 97 HZ3 LYS 97 17.936 -2.074 -2.074 761 2HZ LYS 97 HZ2 LYS 97 17.334 -2.279 -2.279 762 3HZ LYS 97 HZ1 LYS 97 16.382 -1.520 -1.520 763 H GLY 98 HN GLY 98 20.512 -2.461 -2.461 764 1HA GLY 98 HA2 GLY 98 18.977 -0.016 -0.016 765 2HA GLY 98 HA1 GLY 98 20.448 -0.454 -0.454 766 HA PRO 99 HA PRO 99 21.093 2.951 2.951 767 1HB PRO 99 HB2 PRO 99 22.487 4.362 4.362 768 2HB PRO 99 HB1 PRO 99 21.087 4.893 4.893 769 1HG PRO 99 HG2 PRO 99 21.129 3.950 3.950 770 2HG PRO 99 HG1 PRO 99 19.731 4.508 4.508 771 1HD PRO 99 HD2 PRO 99 20.291 1.821 1.821 772 2HD PRO 99 HD1 PRO 99 19.000 2.353 2.353 773 H ASP 100 HN ASP 100 23.431 2.760 2.760 774 HA ASP 100 HA ASP 100 25.204 1.052 1.052 775 1HB ASP 100 HB2 ASP 100 25.632 3.424 3.424 776 2HB ASP 100 HB1 ASP 100 26.136 3.792 3.792 777 H GLY 101 HN GLY 101 27.181 2.667 2.667 778 1HA GLY 101 HA2 GLY 101 27.453 0.563 0.563 779 2HA GLY 101 HA1 GLY 101 28.153 2.168 2.168 780 H LEU 102 HN LEU 102 24.844 2.589 2.589 781 HA LEU 102 HA LEU 102 24.431 3.556 3.556 782 1HB LEU 102 HB2 LEU 102 22.857 3.936 3.936 783 2HB LEU 102 HB1 LEU 102 22.289 2.283 2.283 784 HG LEU 102 HG LEU 102 22.053 4.511 4.511 785 1HD1 LEU 102 HD13 LEU 102 20.083 3.099 3.099 786 2HD1 LEU 102 HD12 LEU 102 19.576 4.001 4.001 787 3HD1 LEU 102 HD11 LEU 102 20.420 4.825 4.825 788 1HD2 LEU 102 HD21 LEU 102 21.458 1.557 1.557 789 2HD2 LEU 102 HD23 LEU 102 22.249 2.613 2.613 790 3HD2 LEU 102 HD22 LEU 102 20.507 2.727 2.727 791 H THR 103 HN THR 103 22.994 0.525 0.525 792 HA THR 103 HA THR 103 22.169 -1.162 -1.162 793 HB THR 103 HB THR 103 24.017 -2.297 -2.297 794 HG1 THR 103 HG1 THR 103 25.296 -2.745 -2.745 795 1HG2 THR 103 HG23 THR 103 25.697 -0.275 -0.275 796 2HG2 THR 103 HG22 THR 103 26.384 -1.727 -1.727 797 3HG2 THR 103 HG21 THR 103 25.579 -0.528 -0.528 798 H ALA 104 HN ALA 104 24.772 -1.299 -1.299 799 HA ALA 104 HA ALA 104 23.178 -0.181 -0.181 800 1HB ALA 104 HB2 ALA 104 25.488 -1.982 -1.982 801 2HB ALA 104 HB1 ALA 104 25.431 -1.105 -1.105 802 3HB ALA 104 HB3 ALA 104 24.093 -2.159 -2.159 803 H LEU 105 HN LEU 105 26.102 0.645 0.645 804 HA LEU 105 HA LEU 105 27.367 2.307 2.307 805 1HB LEU 105 HB2 LEU 105 27.174 3.005 3.005 806 2HB LEU 105 HB1 LEU 105 28.503 3.302 3.302 807 HG LEU 105 HG LEU 105 27.598 0.590 0.590 808 1HD1 LEU 105 HD11 LEU 105 28.776 2.046 2.046 809 2HD1 LEU 105 HD13 LEU 105 30.122 2.183 2.183 810 3HD1 LEU 105 HD12 LEU 105 29.711 0.614 0.614 811 1HD2 LEU 105 HD21 LEU 105 29.788 1.499 1.499 812 2HD2 LEU 105 HD23 LEU 105 28.460 0.395 0.395 813 3HD2 LEU 105 HD22 LEU 105 29.750 -0.103 -0.103 814 H GLU 106 HN GLU 106 25.421 3.665 3.665 815 HA GLU 106 HA GLU 106 25.226 6.130 6.130 816 1HB GLU 106 HB2 GLU 106 23.736 5.455 5.455 817 2HB GLU 106 HB1 GLU 106 24.197 7.048 7.048 818 1HG GLU 106 HG2 GLU 106 26.190 4.907 4.907 819 2HG GLU 106 HG1 GLU 106 25.667 6.209 6.209 820 H ALA 107 HN ALA 107 23.591 3.333 3.333 821 HA ALA 107 HA ALA 107 20.877 4.360 4.360 822 1HB ALA 107 HB1 ALA 107 22.235 1.833 1.833 823 2HB ALA 107 HB3 ALA 107 20.562 2.177 2.177 824 3HB ALA 107 HB2 ALA 107 21.017 2.029 2.029 825 H THR 108 HN THR 108 23.387 3.587 3.587 826 HA THR 108 HA THR 108 22.092 5.516 5.516 827 HB THR 108 HB THR 108 20.864 3.375 3.375 828 HG1 THR 108 HG1 THR 108 20.784 4.304 4.304 829 1HG2 THR 108 HG22 THR 108 23.021 2.064 2.064 830 2HG2 THR 108 HG21 THR 108 23.417 2.234 2.234 831 3HG2 THR 108 HG23 THR 108 21.951 1.382 1.382 832 H ASP 109 HN ASP 109 23.216 4.343 4.343 833 HA ASP 109 HA ASP 109 26.120 4.246 4.246 834 1HB ASP 109 HB2 ASP 109 25.753 6.635 6.635 835 2HB ASP 109 HB1 ASP 109 24.747 6.399 6.399 836 H ASN 110 HN ASN 110 23.394 3.032 3.032 837 HA ASN 110 HA ASN 110 24.533 2.470 2.470 838 1HB ASN 110 HB2 ASN 110 22.577 1.089 1.089 839 2HB ASN 110 HB1 ASN 110 22.032 2.583 2.583 840 1HD2 ASN 110 HD21 ASN 110 23.299 1.534 1.534 841 2HD2 ASN 110 HD22 ASN 110 22.144 0.456 0.456 842 H GLN 111 HN GLN 111 25.648 0.583 0.583 843 HA GLN 111 HA GLN 111 26.927 -0.680 -0.680 844 1HB GLN 111 HB2 GLN 111 28.191 -0.269 -0.269 845 2HB GLN 111 HB1 GLN 111 27.038 -1.110 -1.110 846 1HG GLN 111 HG2 GLN 111 27.708 -3.228 -3.228 847 2HG GLN 111 HG1 GLN 111 28.445 -2.562 -2.562 848 1HE2 GLN 111 HE21 GLN 111 30.541 -3.559 -3.559 849 2HE2 GLN 111 HE22 GLN 111 31.511 -2.947 -2.947 850 H ALA 112 HN ALA 112 23.856 -1.365 -1.365 851 HA ALA 112 HA ALA 112 24.080 -4.288 -4.288 852 1HB ALA 112 HB2 ALA 112 22.261 -3.022 -3.022 853 2HB ALA 112 HB1 ALA 112 21.570 -2.632 -2.632 854 3HB ALA 112 HB3 ALA 112 21.674 -4.312 -4.312 855 H ILE 113 HN ILE 113 22.994 -1.766 -1.766 856 HA ILE 113 HA ILE 113 22.335 -3.481 -3.481 857 HB ILE 113 HB ILE 113 22.847 -0.543 -0.543 858 1HG1 ILE 113 HG12 ILE 113 20.556 -0.480 -0.480 859 2HG1 ILE 113 HG11 ILE 113 20.494 -2.209 -2.209 860 1HG2 ILE 113 HG23 ILE 113 22.509 -1.800 -1.800 861 2HG2 ILE 113 HG22 ILE 113 22.387 -0.076 -0.076 862 3HG2 ILE 113 HG21 ILE 113 23.921 -0.915 -0.915 863 1HD1 ILE 113 HD13 ILE 113 21.114 -1.454 -1.454 864 2HD1 ILE 113 HD12 ILE 113 20.457 0.092 0.092 865 3HD1 ILE 113 HD11 ILE 113 19.447 -1.352 -1.352 866 H LYS 114 HN LYS 114 24.976 -1.272 -1.272 867 HA LYS 114 HA LYS 114 26.634 -1.929 -1.929 868 1HB LYS 114 HB2 LYS 114 27.610 -1.270 -1.270 869 2HB LYS 114 HB1 LYS 114 28.431 -0.944 -0.944 870 1HG LYS 114 HG2 LYS 114 25.748 0.265 0.265 871 2HG LYS 114 HG1 LYS 114 27.299 1.083 1.083 872 1HD LYS 114 HD2 LYS 114 27.586 0.500 0.500 873 2HD LYS 114 HD1 LYS 114 25.824 0.439 0.439 874 1HE LYS 114 HE2 LYS 114 26.411 2.692 2.692 875 2HE LYS 114 HE1 LYS 114 25.880 2.724 2.724 876 1HZ LYS 114 HZ3 LYS 114 28.708 2.555 2.555 877 2HZ LYS 114 HZ2 LYS 114 27.939 3.973 3.973 878 3HZ LYS 114 HZ1 LYS 114 28.168 2.671 2.671 879 H ALA 115 HN ALA 115 25.540 -3.871 -3.871 880 HA ALA 115 HA ALA 115 27.784 -5.628 -5.628 881 1HB ALA 115 HB1 ALA 115 25.561 -5.583 -5.583 882 2HB ALA 115 HB3 ALA 115 24.914 -6.576 -6.576 883 3HB ALA 115 HB2 ALA 115 26.284 -7.152 -7.152 884 H LEU 116 HN LEU 116 25.120 -5.326 -5.326 885 HA LEU 116 HA LEU 116 25.824 -7.742 -7.742 886 1HB LEU 116 HB2 LEU 116 24.057 -5.437 -5.437 887 2HB LEU 116 HB1 LEU 116 24.815 -6.098 -6.098 888 HG LEU 116 HG LEU 116 23.061 -7.566 -7.566 889 1HD1 LEU 116 HD13 LEU 116 22.857 -6.868 -6.868 890 2HD1 LEU 116 HD12 LEU 116 21.787 -8.032 -8.032 891 3HD1 LEU 116 HD11 LEU 116 21.789 -6.349 -6.349 892 1HD2 LEU 116 HD21 LEU 116 25.071 -8.621 -8.621 893 2HD2 LEU 116 HD23 LEU 116 24.432 -9.361 -9.361 894 3HD2 LEU 116 HD22 LEU 116 23.490 -9.402 -9.402 895 H LEU 117 HN LEU 117 27.511 -4.806 -4.806 896 HA LEU 117 HA LEU 117 28.882 -5.022 -5.022 897 1HB LEU 117 HB2 LEU 117 28.705 -3.007 -3.007 898 2HB LEU 117 HB1 LEU 117 30.408 -3.448 -3.448 899 HG LEU 117 HG LEU 117 29.760 -1.642 -1.642 900 1HD1 LEU 117 HD11 LEU 117 31.265 -3.879 -3.879 901 2HD1 LEU 117 HD13 LEU 117 30.119 -3.906 -3.906 902 3HD1 LEU 117 HD12 LEU 117 31.137 -2.490 -2.490 903 1HD2 LEU 117 HD22 LEU 117 27.389 -3.083 -3.083 904 2HD2 LEU 117 HD21 LEU 117 27.837 -1.736 -1.736 905 3HD2 LEU 117 HD23 LEU 117 28.150 -3.397 -3.397 906 H GLN 118 HN GLN 118 28.694 -6.554 -6.554 907 HA GLN 118 HA GLN 118 30.160 -7.838 -7.838 908 1HB GLN 118 HB2 GLN 118 30.597 -9.048 -9.048 909 2HB GLN 118 HB1 GLN 118 30.597 -9.869 -9.869 910 1HG GLN 118 HG2 GLN 118 28.220 -9.366 -9.366 911 2HG GLN 118 HG1 GLN 118 28.201 -8.444 -8.444 912 1HE2 GLN 118 HE21 GLN 118 27.173 -9.674 -9.674 913 2HE2 GLN 118 HE22 GLN 118 27.397 -11.340 -11.340 Start of MODEL 6 1 1H MET 1 HT3 MET 1 -12.381 -9.642 -9.642 2 2H MET 1 HT2 MET 1 -14.005 -10.055 -10.055 3 3H MET 1 HT1 MET 1 -13.406 -8.554 -8.554 4 HA MET 1 HA MET 1 -12.378 -9.407 -9.407 5 1HB MET 1 HB2 MET 1 -14.861 -10.051 -10.051 6 2HB MET 1 HB1 MET 1 -14.324 -11.675 -11.675 7 1HG MET 1 HG2 MET 1 -12.946 -11.766 -11.766 8 2HG MET 1 HG1 MET 1 -13.468 -10.136 -10.136 9 1HE MET 1 HE2 MET 1 -13.832 -11.563 -11.563 10 2HE MET 1 HE1 MET 1 -15.204 -12.630 -12.630 11 3HE MET 1 HE3 MET 1 -13.822 -13.194 -13.194 12 H CYS 2 HN CYS 2 -10.352 -9.957 -9.957 13 HA CYS 2 HA CYS 2 -9.568 -12.698 -12.698 14 1HB CYS 2 HB2 CYS 2 -10.723 -12.852 -12.852 15 2HB CYS 2 HB1 CYS 2 -9.416 -11.852 -11.852 16 HG CYS 2 HG CYS 2 -8.350 -14.272 -14.272 17 H ASP 3 HN ASP 3 -8.643 -9.917 -9.917 18 HA ASP 3 HA ASP 3 -5.858 -10.178 -10.178 19 1HB ASP 3 HB2 ASP 3 -5.898 -7.595 -7.595 20 2HB ASP 3 HB1 ASP 3 -6.654 -8.518 -8.518 21 H LYS 4 HN LYS 4 -7.982 -8.281 -8.281 22 HA LYS 4 HA LYS 4 -6.139 -7.274 -7.274 23 1HB LYS 4 HB2 LYS 4 -8.848 -8.465 -8.465 24 2HB LYS 4 HB1 LYS 4 -7.954 -7.309 -7.309 25 1HG LYS 4 HG2 LYS 4 -7.997 -5.718 -5.718 26 2HG LYS 4 HG1 LYS 4 -9.073 -6.845 -6.845 27 1HD LYS 4 HD2 LYS 4 -10.709 -6.654 -6.654 28 2HD LYS 4 HD1 LYS 4 -9.620 -5.595 -5.595 29 1HE LYS 4 HE2 LYS 4 -11.190 -4.166 -4.166 30 2HE LYS 4 HE1 LYS 4 -9.665 -4.033 -4.033 31 1HZ LYS 4 HZ1 LYS 4 -11.223 -6.192 -6.192 32 2HZ LYS 4 HZ3 LYS 4 -12.113 -4.749 -4.749 33 3HZ LYS 4 HZ2 LYS 4 -10.609 -4.844 -4.844 34 H GLU 5 HN GLU 5 -7.950 -10.294 -10.294 35 HA GLU 5 HA GLU 5 -6.529 -11.270 -11.270 36 1HB GLU 5 HB2 GLU 5 -8.528 -12.327 -12.327 37 2HB GLU 5 HB1 GLU 5 -7.389 -13.017 -13.017 38 1HG GLU 5 HG2 GLU 5 -6.147 -14.007 -14.007 39 2HG GLU 5 HG1 GLU 5 -7.523 -13.518 -13.518 40 H PHE 6 HN PHE 6 -5.601 -11.546 -11.546 41 HA PHE 6 HA PHE 6 -3.292 -13.184 -13.184 42 1HB PHE 6 HB2 PHE 6 -4.177 -13.054 -13.054 43 2HB PHE 6 HB1 PHE 6 -4.048 -11.298 -11.298 44 HD1 PHE 6 HD2 PHE 6 -1.721 -14.132 -14.132 45 HD2 PHE 6 HD1 PHE 6 -2.360 -10.536 -10.536 46 HE1 PHE 6 HE2 PHE 6 0.570 -14.314 -14.314 47 HE2 PHE 6 HE1 PHE 6 -0.076 -10.717 -10.717 48 HZ PHE 6 HZ PHE 6 1.390 -12.603 -12.603 49 H MET 7 HN MET 7 -3.365 -9.685 -9.685 50 HA MET 7 HA MET 7 -0.633 -9.312 -9.312 51 1HB MET 7 HB2 MET 7 -0.920 -7.074 -7.074 52 2HB MET 7 HB1 MET 7 -2.229 -7.811 -7.811 53 1HG MET 7 HG2 MET 7 -3.734 -7.356 -7.356 54 2HG MET 7 HG1 MET 7 -2.417 -6.394 -6.394 55 1HE MET 7 HE3 MET 7 -4.619 -7.202 -7.202 56 2HE MET 7 HE2 MET 7 -5.065 -5.698 -5.698 57 3HE MET 7 HE1 MET 7 -3.567 -6.508 -6.508 58 H TRP 8 HN TRP 8 -3.655 -8.685 -8.685 59 HA TRP 8 HA TRP 8 -2.594 -7.410 -7.410 60 1HB TRP 8 HB2 TRP 8 -5.038 -8.064 -8.064 61 2HB TRP 8 HB1 TRP 8 -4.658 -9.594 -9.594 62 HD1 TRP 8 HD1 TRP 8 -4.168 -9.561 -9.561 63 HE1 TRP 8 HE1 TRP 8 -4.587 -7.785 -7.785 64 HE3 TRP 8 HE3 TRP 8 -5.133 -5.488 -5.488 65 HZ2 TRP 8 HZ2 TRP 8 -5.245 -5.006 -5.006 66 HZ3 TRP 8 HZ3 TRP 8 -5.658 -3.291 -3.291 67 HH2 TRP 8 HH2 TRP 8 -5.717 -3.046 -3.046 68 H ALA 9 HN ALA 9 -1.799 -10.544 -10.544 69 HA ALA 9 HA ALA 9 -1.146 -11.528 -11.528 70 1HB ALA 9 HB3 ALA 9 -2.012 -13.084 -13.084 71 2HB ALA 9 HB2 ALA 9 -0.586 -12.770 -12.770 72 3HB ALA 9 HB1 ALA 9 -0.414 -13.569 -13.569 73 H LEU 10 HN LEU 10 0.703 -10.725 -10.725 74 HA LEU 10 HA LEU 10 3.295 -11.147 -11.147 75 1HB LEU 10 HB2 LEU 10 2.445 -9.086 -9.086 76 2HB LEU 10 HB1 LEU 10 4.088 -9.659 -9.659 77 HG LEU 10 HG LEU 10 2.785 -12.031 -12.031 78 1HD1 LEU 10 HD12 LEU 10 0.662 -10.814 -10.814 79 2HD1 LEU 10 HD11 LEU 10 1.485 -10.051 -10.051 80 3HD1 LEU 10 HD13 LEU 10 1.240 -11.797 -11.797 81 1HD2 LEU 10 HD21 LEU 10 4.862 -11.156 -11.156 82 2HD2 LEU 10 HD23 LEU 10 3.797 -12.058 -12.058 83 3HD2 LEU 10 HD22 LEU 10 3.817 -10.294 -10.294 84 H LYS 11 HN LYS 11 0.944 -9.077 -9.077 85 HA LYS 11 HA LYS 11 2.595 -6.762 -6.762 86 1HB LYS 11 HB2 LYS 11 0.373 -6.356 -6.356 87 2HB LYS 11 HB1 LYS 11 -0.303 -7.505 -7.505 88 1HG LYS 11 HG2 LYS 11 0.212 -6.079 -6.079 89 2HG LYS 11 HG1 LYS 11 1.180 -5.007 -5.007 90 1HD LYS 11 HD2 LYS 11 -0.741 -4.247 -4.247 91 2HD LYS 11 HD1 LYS 11 -1.744 -5.543 -5.543 92 1HE LYS 11 HE2 LYS 11 -1.999 -3.195 -3.195 93 2HE LYS 11 HE1 LYS 11 -1.814 -4.565 -4.565 94 1HZ LYS 11 HZ3 LYS 11 0.631 -3.276 -3.276 95 2HZ LYS 11 HZ2 LYS 11 -0.327 -2.392 -2.392 96 3HZ LYS 11 HZ1 LYS 11 0.251 -3.930 -3.930 97 H ASN 12 HN ASN 12 0.230 -8.502 -8.502 98 HA ASN 12 HA ASN 12 1.735 -7.846 -7.846 99 1HB ASN 12 HB2 ASN 12 -0.823 -7.895 -7.895 100 2HB ASN 12 HB1 ASN 12 -0.684 -9.636 -9.636 101 1HD2 ASN 12 HD21 ASN 12 0.341 -10.354 -10.354 102 2HD2 ASN 12 HD22 ASN 12 0.159 -9.361 -9.361 103 H GLY 13 HN GLY 13 2.594 -10.052 -10.052 104 1HA GLY 13 HA2 GLY 13 3.955 -11.943 -11.943 105 2HA GLY 13 HA1 GLY 13 3.779 -11.747 -11.747 106 H ASP 14 HN ASP 14 0.881 -11.939 -11.939 107 HA ASP 14 HA ASP 14 0.038 -14.314 -14.314 108 1HB ASP 14 HB2 ASP 14 -1.260 -13.507 -13.507 109 2HB ASP 14 HB1 ASP 14 -1.978 -14.057 -14.057 110 H LEU 15 HN LEU 15 2.361 -14.894 -14.894 111 HA LEU 15 HA LEU 15 2.911 -15.836 -15.836 112 1HB LEU 15 HB2 LEU 15 4.476 -15.811 -15.811 113 2HB LEU 15 HB1 LEU 15 3.584 -17.107 -17.107 114 HG LEU 15 HG LEU 15 5.716 -17.739 -17.739 115 1HD1 LEU 15 HD12 LEU 15 3.300 -19.095 -19.095 116 2HD1 LEU 15 HD11 LEU 15 3.737 -19.419 -19.419 117 3HD1 LEU 15 HD13 LEU 15 4.861 -19.810 -19.810 118 1HD2 LEU 15 HD23 LEU 15 5.036 -16.249 -16.249 119 2HD2 LEU 15 HD22 LEU 15 5.708 -17.833 -17.833 120 3HD2 LEU 15 HD21 LEU 15 3.969 -17.575 -17.575 121 H ASP 16 HN ASP 16 0.721 -17.235 -17.235 122 HA ASP 16 HA ASP 16 0.469 -19.824 -19.824 123 1HB ASP 16 HB2 ASP 16 -1.503 -18.214 -18.214 124 2HB ASP 16 HB1 ASP 16 -1.599 -19.944 -19.944 125 H GLU 17 HN GLU 17 -1.022 -16.705 -16.705 126 HA GLU 17 HA GLU 17 -3.086 -17.798 -17.798 127 1HB GLU 17 HB2 GLU 17 -2.107 -15.009 -15.009 128 2HB GLU 17 HB1 GLU 17 -3.318 -15.318 -15.318 129 1HG GLU 17 HG2 GLU 17 -3.636 -16.392 -16.392 130 2HG GLU 17 HG1 GLU 17 -4.170 -14.767 -14.767 131 H VAL 18 HN VAL 18 0.034 -16.107 -16.107 132 HA VAL 18 HA VAL 18 -0.228 -16.140 -16.140 133 HB VAL 18 HB VAL 18 2.508 -16.416 -16.416 134 1HG1 VAL 18 HG11 VAL 18 1.163 -14.617 -14.617 135 2HG1 VAL 18 HG13 VAL 18 1.137 -13.742 -13.742 136 3HG1 VAL 18 HG12 VAL 18 2.675 -14.138 -14.138 137 1HG2 VAL 18 HG23 VAL 18 1.774 -16.403 -16.403 138 2HG2 VAL 18 HG22 VAL 18 3.099 -15.361 -15.361 139 3HG2 VAL 18 HG21 VAL 18 1.497 -14.675 -14.675 140 H LYS 19 HN LYS 19 1.066 -18.346 -18.346 141 HA LYS 19 HA LYS 19 2.305 -20.268 -20.268 142 1HB LYS 19 HB2 LYS 19 2.233 -20.184 -20.184 143 2HB LYS 19 HB1 LYS 19 0.592 -20.818 -20.818 144 1HG LYS 19 HG2 LYS 19 1.290 -22.903 -22.903 145 2HG LYS 19 HG1 LYS 19 2.797 -22.274 -22.274 146 1HD LYS 19 HD2 LYS 19 2.311 -22.119 -22.119 147 2HD LYS 19 HD1 LYS 19 2.850 -23.636 -23.636 148 1HE LYS 19 HE2 LYS 19 4.328 -21.210 -21.210 149 2HE LYS 19 HE1 LYS 19 4.560 -21.696 -21.696 150 1HZ LYS 19 HZ3 LYS 19 4.834 -23.532 -23.532 151 2HZ LYS 19 HZ2 LYS 19 6.136 -22.738 -22.738 152 3HZ LYS 19 HZ1 LYS 19 5.210 -23.864 -23.864 153 H ASP 20 HN ASP 20 -1.094 -19.716 -19.716 154 HA ASP 20 HA ASP 20 -2.045 -22.164 -22.164 155 1HB ASP 20 HB2 ASP 20 -3.364 -20.664 -20.664 156 2HB ASP 20 HB1 ASP 20 -3.492 -19.514 -19.514 157 H TYR 21 HN TYR 21 -1.809 -18.837 -18.837 158 HA TYR 21 HA TYR 21 -2.781 -19.359 -19.359 159 1HB TYR 21 HB2 TYR 21 -0.818 -17.324 -17.324 160 2HB TYR 21 HB1 TYR 21 -1.333 -17.342 -17.342 161 HD1 TYR 21 HD2 TYR 21 -3.734 -17.007 -17.007 162 HD2 TYR 21 HD1 TYR 21 -2.308 -16.591 -16.591 163 HE1 TYR 21 HE2 TYR 21 -5.821 -15.820 -15.820 164 HE2 TYR 21 HE1 TYR 21 -4.391 -15.402 -15.402 165 HH TYR 21 HH TYR 21 -6.157 -14.135 -14.135 166 H VAL 22 HN VAL 22 0.687 -19.156 -19.156 167 HA VAL 22 HA VAL 22 1.625 -20.064 -20.064 168 HB VAL 22 HB VAL 22 2.795 -19.108 -19.108 169 1HG1 VAL 22 HG12 VAL 22 2.870 -21.462 -21.462 170 2HG1 VAL 22 HG11 VAL 22 3.877 -21.885 -21.885 171 3HG1 VAL 22 HG13 VAL 22 4.460 -20.724 -20.724 172 1HG2 VAL 22 HG21 VAL 22 4.043 -20.323 -20.323 173 2HG2 VAL 22 HG23 VAL 22 3.583 -18.636 -18.636 174 3HG2 VAL 22 HG22 VAL 22 4.915 -19.326 -19.326 175 H ALA 23 HN ALA 23 0.173 -21.783 -21.783 176 HA ALA 23 HA ALA 23 1.312 -24.365 -24.365 177 1HB ALA 23 HB1 ALA 23 -0.442 -23.633 -23.633 178 2HB ALA 23 HB3 ALA 23 -1.639 -23.861 -23.861 179 3HB ALA 23 HB2 ALA 23 -0.676 -25.227 -25.227 180 H LYS 24 HN LYS 24 -0.864 -22.466 -22.466 181 HA LYS 24 HA LYS 24 -2.048 -24.430 -24.430 182 1HB LYS 24 HB2 LYS 24 -1.167 -21.584 -21.584 183 2HB LYS 24 HB1 LYS 24 -2.015 -22.542 -22.542 184 1HG LYS 24 HG2 LYS 24 -3.184 -22.384 -22.384 185 2HG LYS 24 HG1 LYS 24 -3.357 -20.989 -20.989 186 1HD LYS 24 HD2 LYS 24 -4.639 -22.150 -22.150 187 2HD LYS 24 HD1 LYS 24 -4.000 -23.719 -23.719 188 1HE LYS 24 HE2 LYS 24 -5.266 -23.641 -23.641 189 2HE LYS 24 HE1 LYS 24 -5.799 -21.995 -21.995 190 1HZ LYS 24 HZ1 LYS 24 -6.720 -23.048 -23.048 191 2HZ LYS 24 HZ3 LYS 24 -6.612 -24.512 -24.512 192 3HZ LYS 24 HZ2 LYS 24 -7.579 -23.250 -23.250 193 H GLY 25 HN GLY 25 0.425 -22.343 -22.343 194 1HA GLY 25 HA2 GLY 25 2.303 -24.481 -24.481 195 2HA GLY 25 HA1 GLY 25 1.350 -24.113 -24.113 196 H GLU 26 HN GLU 26 3.821 -23.001 -23.001 197 HA GLU 26 HA GLU 26 5.092 -21.007 -21.007 198 1HB GLU 26 HB2 GLU 26 6.306 -20.799 -20.799 199 2HB GLU 26 HB1 GLU 26 6.484 -22.305 -22.305 200 1HG GLU 26 HG2 GLU 26 4.855 -23.411 -23.411 201 2HG GLU 26 HG1 GLU 26 4.433 -21.894 -21.894 202 H ASP 27 HN ASP 27 3.986 -19.139 -19.139 203 HA ASP 27 HA ASP 27 3.174 -17.638 -17.638 204 1HB ASP 27 HB2 ASP 27 1.516 -17.776 -17.776 205 2HB ASP 27 HB1 ASP 27 1.110 -16.896 -16.896 206 H VAL 28 HN VAL 28 5.553 -17.475 -17.475 207 HA VAL 28 HA VAL 28 5.177 -15.030 -15.030 208 HB VAL 28 HB VAL 28 7.431 -15.559 -15.559 209 1HG1 VAL 28 HG13 VAL 28 5.330 -16.612 -16.612 210 2HG1 VAL 28 HG12 VAL 28 5.664 -18.012 -18.012 211 3HG1 VAL 28 HG11 VAL 28 6.787 -17.572 -17.572 212 1HG2 VAL 28 HG23 VAL 28 7.893 -16.793 -16.793 213 2HG2 VAL 28 HG22 VAL 28 8.798 -17.180 -17.180 214 3HG2 VAL 28 HG21 VAL 28 7.442 -18.194 -18.194 215 H ASN 29 HN ASN 29 4.849 -14.334 -14.334 216 HA ASN 29 HA ASN 29 6.993 -12.525 -12.525 217 1HB ASN 29 HB2 ASN 29 7.453 -13.579 -13.579 218 2HB ASN 29 HB1 ASN 29 8.238 -14.317 -14.317 219 1HD2 ASN 29 HD21 ASN 29 7.167 -16.316 -16.316 220 2HD2 ASN 29 HD22 ASN 29 6.222 -17.278 -17.278 221 H ARG 30 HN ARG 30 4.081 -12.691 -12.691 222 HA ARG 30 HA ARG 30 3.138 -11.778 -11.778 223 1HB ARG 30 HB2 ARG 30 1.445 -12.476 -12.476 224 2HB ARG 30 HB1 ARG 30 0.904 -12.275 -12.275 225 1HG ARG 30 HG2 ARG 30 2.707 -14.208 -14.208 226 2HG ARG 30 HG1 ARG 30 2.360 -14.563 -14.563 227 1HD ARG 30 HD2 ARG 30 -0.009 -14.805 -14.805 228 2HD ARG 30 HD1 ARG 30 0.225 -14.269 -14.269 229 HE ARG 30 HE ARG 30 1.899 -16.484 -16.484 230 1HH1 ARG 30 HH21 ARG 30 -1.454 -15.771 -15.771 231 2HH1 ARG 30 HH22 ARG 30 -1.983 -17.370 -17.370 232 1HH2 ARG 30 HH11 ARG 30 1.219 -18.573 -18.573 233 2HH2 ARG 30 HH12 ARG 30 -0.470 -18.959 -18.959 234 H THR 31 HN THR 31 2.063 -9.731 -9.731 235 HA THR 31 HA THR 31 3.103 -7.689 -7.689 236 HB THR 31 HB THR 31 0.483 -7.283 -7.283 237 HG1 THR 31 HG1 THR 31 3.037 -7.657 -7.657 238 1HG2 THR 31 HG21 THR 31 3.041 -5.666 -5.666 239 2HG2 THR 31 HG23 THR 31 1.568 -5.129 -5.129 240 3HG2 THR 31 HG22 THR 31 1.564 -5.415 -5.415 241 H LEU 32 HN LEU 32 2.727 -7.844 -7.844 242 HA LEU 32 HA LEU 32 0.619 -8.957 -8.957 243 1HB LEU 32 HB2 LEU 32 2.827 -7.561 -7.561 244 2HB LEU 32 HB1 LEU 32 1.600 -6.365 -6.365 245 HG LEU 32 HG LEU 32 1.651 -9.223 -9.223 246 1HD1 LEU 32 HD12 LEU 32 3.342 -7.444 -7.444 247 2HD1 LEU 32 HD11 LEU 32 1.933 -6.704 -6.704 248 3HD1 LEU 32 HD13 LEU 32 2.402 -8.358 -8.358 249 1HD2 LEU 32 HD23 LEU 32 -0.206 -6.895 -6.895 250 2HD2 LEU 32 HD22 LEU 32 -0.642 -8.355 -8.355 251 3HD2 LEU 32 HD21 LEU 32 -0.222 -8.455 -8.455 252 H GLU 33 HN GLU 33 0.654 -5.415 -5.415 253 HA GLU 33 HA GLU 33 -2.269 -5.398 -5.398 254 1HB GLU 33 HB2 GLU 33 -1.312 -3.867 -3.867 255 2HB GLU 33 HB1 GLU 33 -0.129 -3.305 -3.305 256 1HG GLU 33 HG2 GLU 33 -1.697 -2.008 -2.008 257 2HG GLU 33 HG1 GLU 33 -3.073 -2.899 -2.899 258 H GLY 34 HN GLY 34 0.081 -3.496 -3.496 259 1HA GLY 34 HA2 GLY 34 -1.394 -4.168 -4.168 260 2HA GLY 34 HA1 GLY 34 -1.516 -2.477 -2.477 261 H GLY 35 HN GLY 35 1.343 -3.117 -3.117 262 1HA GLY 35 HA2 GLY 35 2.992 -3.341 -3.341 263 2HA GLY 35 HA1 GLY 35 2.953 -1.706 -1.706 264 H ARG 36 HN ARG 36 2.489 -4.156 -4.156 265 HA ARG 36 HA ARG 36 5.326 -3.838 -3.838 266 1HB ARG 36 HB2 ARG 36 3.175 -4.690 -4.690 267 2HB ARG 36 HB1 ARG 36 4.580 -3.666 -3.666 268 1HG ARG 36 HG2 ARG 36 2.193 -2.795 -2.795 269 2HG ARG 36 HG1 ARG 36 2.362 -2.459 -2.459 270 1HD ARG 36 HD2 ARG 36 4.367 -1.175 -1.175 271 2HD ARG 36 HD1 ARG 36 4.435 -1.659 -1.659 272 HE ARG 36 HE ARG 36 2.014 -0.409 -0.409 273 1HH1 ARG 36 HH21 ARG 36 5.186 0.340 0.340 274 2HH1 ARG 36 HH22 ARG 36 5.000 2.051 2.051 275 1HH2 ARG 36 HH11 ARG 36 1.752 1.831 1.831 276 2HH2 ARG 36 HH12 ARG 36 3.055 2.897 2.897 277 H LYS 37 HN LYS 37 6.204 -5.745 -5.745 278 HA LYS 37 HA LYS 37 5.081 -8.316 -8.316 279 1HB LYS 37 HB2 LYS 37 7.624 -8.944 -8.944 280 2HB LYS 37 HB1 LYS 37 7.210 -8.520 -8.520 281 1HG LYS 37 HG2 LYS 37 9.095 -7.162 -7.162 282 2HG LYS 37 HG1 LYS 37 7.687 -6.111 -6.111 283 1HD LYS 37 HD2 LYS 37 7.332 -6.405 -6.405 284 2HD LYS 37 HD1 LYS 37 8.850 -7.291 -7.291 285 1HE LYS 37 HE2 LYS 37 8.367 -4.381 -4.381 286 2HE LYS 37 HE1 LYS 37 9.729 -5.230 -5.230 287 1HZ LYS 37 HZ3 LYS 37 10.428 -5.810 -5.810 288 2HZ LYS 37 HZ2 LYS 37 9.237 -4.746 -4.746 289 3HZ LYS 37 HZ1 LYS 37 10.514 -4.157 -4.157 290 HA PRO 38 HA PRO 38 4.239 -9.468 -9.468 291 1HB PRO 38 HB2 PRO 38 4.927 -12.171 -12.171 292 2HB PRO 38 HB1 PRO 38 3.407 -11.498 -11.498 293 1HG PRO 38 HG2 PRO 38 5.739 -12.524 -12.524 294 2HG PRO 38 HG1 PRO 38 4.056 -12.348 -12.348 295 1HD PRO 38 HD2 PRO 38 6.204 -10.657 -10.657 296 2HD PRO 38 HD1 PRO 38 4.477 -10.314 -10.314 297 H LEU 39 HN LEU 39 7.222 -8.622 -8.622 298 HA LEU 39 HA LEU 39 8.353 -10.157 -10.157 299 1HB LEU 39 HB2 LEU 39 9.451 -10.420 -10.420 300 2HB LEU 39 HB1 LEU 39 9.995 -8.766 -8.766 301 HG LEU 39 HG LEU 39 11.599 -9.335 -9.335 302 1HD1 LEU 39 HD12 LEU 39 9.846 -11.643 -11.643 303 2HD1 LEU 39 HD11 LEU 39 11.461 -11.336 -11.336 304 3HD1 LEU 39 HD13 LEU 39 10.174 -10.159 -10.159 305 1HD2 LEU 39 HD23 LEU 39 11.720 -10.832 -10.832 306 2HD2 LEU 39 HD22 LEU 39 12.766 -11.225 -11.225 307 3HD2 LEU 39 HD21 LEU 39 11.283 -12.139 -12.139 308 H HIS 40 HN HIS 40 7.542 -7.032 -7.032 309 HA HIS 40 HA HIS 40 9.398 -5.496 -5.496 310 1HB HIS 40 HB2 HIS 40 8.196 -4.599 -4.599 311 2HB HIS 40 HB1 HIS 40 6.694 -4.655 -4.655 312 HD1 HIS 40 HD1 HIS 40 6.244 -2.772 -2.772 313 HD2 HIS 40 HD2 HIS 40 10.134 -2.678 -2.678 314 HE1 HIS 40 HE1 HIS 40 7.258 -0.586 -0.586 315 H TYR 41 HN TYR 41 5.936 -6.299 -6.299 316 HA TYR 41 HA TYR 41 5.747 -5.065 -5.065 317 1HB TYR 41 HB2 TYR 41 4.051 -7.356 -7.356 318 2HB TYR 41 HB1 TYR 41 3.589 -6.065 -6.065 319 HD1 TYR 41 HD1 TYR 41 4.645 -6.740 -6.740 320 HD2 TYR 41 HD2 TYR 41 2.790 -3.989 -3.989 321 HE1 TYR 41 HE1 TYR 41 4.006 -5.290 -5.290 322 HE2 TYR 41 HE2 TYR 41 2.141 -2.544 -2.544 323 HH TYR 41 HH TYR 41 2.120 -2.314 -2.314 324 H ALA 42 HN ALA 42 6.531 -8.308 -8.308 325 HA ALA 42 HA ALA 42 6.609 -9.530 -9.530 326 1HB ALA 42 HB2 ALA 42 6.522 -10.854 -10.854 327 2HB ALA 42 HB1 ALA 42 8.126 -10.259 -10.259 328 3HB ALA 42 HB3 ALA 42 7.914 -11.302 -11.302 329 H ALA 43 HN ALA 43 9.226 -8.511 -8.511 330 HA ALA 43 HA ALA 43 11.349 -8.617 -8.617 331 1HB ALA 43 HB1 ALA 43 11.541 -8.135 -8.135 332 2HB ALA 43 HB3 ALA 43 10.896 -6.521 -6.521 333 3HB ALA 43 HB2 ALA 43 12.451 -6.996 -6.996 334 H ASP 44 HN ASP 44 9.479 -5.715 -5.715 335 HA ASP 44 HA ASP 44 10.471 -3.995 -3.995 336 1HB ASP 44 HB2 ASP 44 9.111 -3.368 -3.368 337 2HB ASP 44 HB1 ASP 44 7.678 -3.886 -3.886 338 H CYS 45 HN CYS 45 7.845 -6.383 -6.383 339 HA CYS 45 HA CYS 45 7.930 -6.076 -6.076 340 1HB CYS 45 HB2 CYS 45 5.570 -5.104 -5.104 341 2HB CYS 45 HB1 CYS 45 5.394 -5.615 -5.615 342 HG CYS 45 HG CYS 45 7.061 -3.148 -3.148 343 H GLY 46 HN GLY 46 8.561 -8.339 -8.339 344 1HA GLY 46 HA2 GLY 46 6.067 -9.998 -9.998 345 2HA GLY 46 HA1 GLY 46 7.576 -10.414 -10.414 346 H GLN 47 HN GLN 47 7.635 -9.169 -9.169 347 HA GLN 47 HA GLN 47 8.472 -10.214 -10.214 348 1HB GLN 47 HB2 GLN 47 6.670 -12.325 -12.325 349 2HB GLN 47 HB1 GLN 47 7.578 -12.645 -12.645 350 1HG GLN 47 HG2 GLN 47 5.229 -11.725 -11.725 351 2HG GLN 47 HG1 GLN 47 6.514 -10.843 -10.843 352 1HE2 GLN 47 HE21 GLN 47 5.313 -10.763 -10.763 353 2HE2 GLN 47 HE22 GLN 47 5.059 -9.085 -9.085 354 H LEU 48 HN LEU 48 9.612 -10.484 -10.484 355 HA LEU 48 HA LEU 48 11.519 -11.309 -11.309 356 1HB LEU 48 HB2 LEU 48 12.106 -11.766 -11.766 357 2HB LEU 48 HB1 LEU 48 13.266 -12.173 -12.173 358 HG LEU 48 HG LEU 48 13.929 -10.030 -10.030 359 1HD1 LEU 48 HD11 LEU 48 11.020 -9.347 -9.347 360 2HD1 LEU 48 HD13 LEU 48 12.314 -8.162 -8.162 361 3HD1 LEU 48 HD12 LEU 48 12.292 -9.485 -9.485 362 1HD2 LEU 48 HD22 LEU 48 13.266 -10.105 -10.105 363 2HD2 LEU 48 HD21 LEU 48 13.348 -8.496 -8.496 364 3HD2 LEU 48 HD23 LEU 48 11.784 -9.267 -9.267 365 H GLU 49 HN GLU 49 9.235 -13.228 -13.228 366 HA GLU 49 HA GLU 49 10.654 -15.785 -15.785 367 1HB GLU 49 HB2 GLU 49 8.238 -16.690 -16.690 368 2HB GLU 49 HB1 GLU 49 9.309 -16.185 -16.185 369 1HG GLU 49 HG2 GLU 49 8.257 -13.997 -13.997 370 2HG GLU 49 HG1 GLU 49 7.256 -14.395 -14.395 371 H ILE 50 HN ILE 50 8.042 -13.693 -13.693 372 HA ILE 50 HA ILE 50 7.041 -15.333 -15.333 373 HB ILE 50 HB ILE 50 7.017 -12.324 -12.324 374 1HG1 ILE 50 HG12 ILE 50 5.807 -14.295 -14.295 375 2HG1 ILE 50 HG11 ILE 50 5.831 -12.548 -12.548 376 1HG2 ILE 50 HG23 ILE 50 5.238 -14.363 -14.363 377 2HG2 ILE 50 HG22 ILE 50 4.928 -12.630 -12.630 378 3HG2 ILE 50 HG21 ILE 50 6.357 -13.243 -13.243 379 1HD1 ILE 50 HD11 ILE 50 3.923 -13.934 -13.934 380 2HD1 ILE 50 HD13 ILE 50 3.538 -13.709 -13.709 381 3HD1 ILE 50 HD12 ILE 50 3.814 -12.315 -12.315 382 H LEU 51 HN LEU 51 9.651 -12.906 -12.906 383 HA LEU 51 HA LEU 51 9.852 -12.944 -12.944 384 1HB LEU 51 HB2 LEU 51 12.442 -12.429 -12.429 385 2HB LEU 51 HB1 LEU 51 11.193 -11.208 -11.208 386 HG LEU 51 HG LEU 51 12.483 -10.923 -10.923 387 1HD1 LEU 51 HD12 LEU 51 9.702 -10.986 -10.986 388 2HD1 LEU 51 HD11 LEU 51 10.069 -11.821 -11.821 389 3HD1 LEU 51 HD13 LEU 51 10.667 -10.191 -10.191 390 1HD2 LEU 51 HD22 LEU 51 12.913 -13.470 -13.470 391 2HD2 LEU 51 HD21 LEU 51 12.756 -12.565 -12.565 392 3HD2 LEU 51 HD23 LEU 51 11.402 -13.517 -13.517 393 H GLU 52 HN GLU 52 11.783 -14.791 -14.791 394 HA GLU 52 HA GLU 52 13.257 -16.340 -16.340 395 1HB GLU 52 HB2 GLU 52 12.014 -17.548 -17.548 396 2HB GLU 52 HB1 GLU 52 13.537 -17.972 -17.972 397 1HG GLU 52 HG2 GLU 52 14.452 -15.760 -15.760 398 2HG GLU 52 HG1 GLU 52 12.936 -15.389 -15.389 399 H PHE 53 HN PHE 53 9.916 -16.678 -16.678 400 HA PHE 53 HA PHE 53 9.409 -19.264 -19.264 401 1HB PHE 53 HB2 PHE 53 7.870 -18.066 -18.066 402 2HB PHE 53 HB1 PHE 53 7.510 -16.927 -16.927 403 HD1 PHE 53 HD1 PHE 53 7.672 -20.636 -20.636 404 HD2 PHE 53 HD2 PHE 53 5.591 -17.333 -17.333 405 HE1 PHE 53 HE1 PHE 53 5.974 -22.199 -22.199 406 HE2 PHE 53 HE2 PHE 53 3.888 -18.896 -18.896 407 HZ PHE 53 HZ PHE 53 4.086 -21.333 -21.333 408 H LEU 54 HN LEU 54 7.640 -16.712 -16.712 409 HA LEU 54 HA LEU 54 7.445 -18.098 -18.098 410 1HB LEU 54 HB2 LEU 54 7.205 -15.580 -15.580 411 2HB LEU 54 HB1 LEU 54 5.947 -16.394 -16.394 412 HG LEU 54 HG LEU 54 6.669 -15.341 -15.341 413 1HD1 LEU 54 HD13 LEU 54 8.963 -14.457 -14.457 414 2HD1 LEU 54 HD12 LEU 54 8.480 -13.472 -13.472 415 3HD1 LEU 54 HD11 LEU 54 8.995 -15.136 -15.136 416 1HD2 LEU 54 HD22 LEU 54 5.175 -14.114 -14.114 417 2HD2 LEU 54 HD21 LEU 54 6.039 -13.078 -13.078 418 3HD2 LEU 54 HD23 LEU 54 6.611 -13.241 -13.241 419 H LEU 55 HN LEU 55 10.255 -16.485 -16.485 420 HA LEU 55 HA LEU 55 11.390 -15.983 -15.983 421 1HB LEU 55 HB2 LEU 55 12.051 -14.832 -14.832 422 2HB LEU 55 HB1 LEU 55 12.964 -16.295 -16.295 423 HG LEU 55 HG LEU 55 13.325 -14.706 -14.706 424 1HD1 LEU 55 HD12 LEU 55 14.725 -14.500 -14.500 425 2HD1 LEU 55 HD11 LEU 55 15.432 -13.891 -13.891 426 3HD1 LEU 55 HD13 LEU 55 13.920 -13.209 -13.209 427 1HD2 LEU 55 HD21 LEU 55 14.615 -17.082 -17.082 428 2HD2 LEU 55 HD23 LEU 55 14.363 -16.728 -16.728 429 3HD2 LEU 55 HD22 LEU 55 15.675 -15.949 -15.949 430 H LEU 56 HN LEU 56 11.726 -18.509 -18.509 431 HA LEU 56 HA LEU 56 13.678 -20.047 -20.047 432 1HB LEU 56 HB2 LEU 56 13.322 -21.781 -21.781 433 2HB LEU 56 HB1 LEU 56 12.968 -20.312 -20.312 434 HG LEU 56 HG LEU 56 10.491 -20.865 -20.865 435 1HD1 LEU 56 HD11 LEU 56 11.337 -22.972 -22.972 436 2HD1 LEU 56 HD13 LEU 56 11.773 -23.556 -23.556 437 3HD1 LEU 56 HD12 LEU 56 10.083 -23.265 -23.265 438 1HD2 LEU 56 HD23 LEU 56 11.226 -20.489 -20.489 439 2HD2 LEU 56 HD22 LEU 56 9.974 -21.716 -21.716 440 3HD2 LEU 56 HD21 LEU 56 11.652 -22.195 -22.195 441 H LYS 57 HN LYS 57 10.273 -19.674 -19.674 442 HA LYS 57 HA LYS 57 9.779 -22.020 -22.020 443 1HB LYS 57 HB2 LYS 57 7.957 -20.793 -20.793 444 2HB LYS 57 HB1 LYS 57 8.324 -19.356 -19.356 445 1HG LYS 57 HG2 LYS 57 6.373 -20.565 -20.565 446 2HG LYS 57 HG1 LYS 57 7.701 -20.513 -20.513 447 1HD LYS 57 HD2 LYS 57 6.562 -22.766 -22.766 448 2HD LYS 57 HD1 LYS 57 8.302 -22.799 -22.799 449 1HE LYS 57 HE2 LYS 57 8.084 -23.133 -23.133 450 2HE LYS 57 HE1 LYS 57 6.445 -22.482 -22.482 451 1HZ LYS 57 HZ3 LYS 57 6.566 -24.693 -24.693 452 2HZ LYS 57 HZ2 LYS 57 7.202 -25.136 -25.136 453 3HZ LYS 57 HZ1 LYS 57 5.631 -24.499 -24.499 454 H GLY 58 HN GLY 58 9.089 -18.906 -18.906 455 1HA GLY 58 HA2 GLY 58 10.846 -19.557 -19.557 456 2HA GLY 58 HA1 GLY 58 9.659 -18.251 -18.251 457 H ALA 59 HN ALA 59 10.630 -16.221 -16.221 458 HA ALA 59 HA ALA 59 12.290 -15.475 -15.475 459 1HB ALA 59 HB1 ALA 59 13.790 -16.850 -16.850 460 2HB ALA 59 HB3 ALA 59 14.512 -15.361 -15.361 461 3HB ALA 59 HB2 ALA 59 14.170 -16.680 -16.680 462 H ASP 60 HN ASP 60 10.849 -13.674 -13.674 463 HA ASP 60 HA ASP 60 11.341 -12.023 -12.023 464 1HB ASP 60 HB2 ASP 60 9.113 -12.032 -12.032 465 2HB ASP 60 HB1 ASP 60 9.827 -11.461 -11.461 466 H ILE 61 HN ILE 61 13.196 -12.852 -12.852 467 HA ILE 61 HA ILE 61 14.130 -10.633 -10.633 468 HB ILE 61 HB ILE 61 14.744 -13.056 -13.056 469 1HG1 ILE 61 HG12 ILE 61 16.992 -11.044 -11.044 470 2HG1 ILE 61 HG11 ILE 61 16.091 -11.428 -11.428 471 1HG2 ILE 61 HG21 ILE 61 15.183 -13.197 -13.197 472 2HG2 ILE 61 HG23 ILE 61 16.783 -12.577 -12.577 473 3HG2 ILE 61 HG22 ILE 61 16.236 -14.109 -14.109 474 1HD1 ILE 61 HD13 ILE 61 16.972 -13.913 -13.913 475 2HD1 ILE 61 HD12 ILE 61 18.290 -12.915 -12.915 476 3HD1 ILE 61 HD11 ILE 61 17.846 -12.838 -12.838 477 H ASN 62 HN ASN 62 14.524 -11.413 -11.413 478 HA ASN 62 HA ASN 62 16.327 -9.066 -9.066 479 1HB ASN 62 HB2 ASN 62 17.491 -10.333 -10.333 480 2HB ASN 62 HB1 ASN 62 17.661 -11.127 -11.127 481 1HD2 ASN 62 HD21 ASN 62 14.993 -12.266 -12.266 482 2HD2 ASN 62 HD22 ASN 62 14.890 -13.470 -13.470 483 H ALA 63 HN ALA 63 13.867 -11.152 -11.152 484 HA ALA 63 HA ALA 63 13.269 -10.512 -10.512 485 1HB ALA 63 HB1 ALA 63 11.335 -10.201 -10.201 486 2HB ALA 63 HB3 ALA 63 10.844 -10.173 -10.173 487 3HB ALA 63 HB2 ALA 63 11.599 -11.612 -11.612 488 HA PRO 64 HA PRO 64 11.387 -5.945 -5.945 489 1HB PRO 64 HB2 PRO 64 14.194 -5.569 -5.569 490 2HB PRO 64 HB1 PRO 64 12.703 -4.782 -4.782 491 1HG PRO 64 HG2 PRO 64 13.886 -7.053 -7.053 492 2HG PRO 64 HG1 PRO 64 12.230 -6.488 -6.488 493 1HD PRO 64 HD2 PRO 64 12.945 -8.933 -8.933 494 2HD PRO 64 HD1 PRO 64 11.339 -8.185 -8.185 495 H ASP 65 HN ASP 65 11.378 -4.587 -4.587 496 HA ASP 65 HA ASP 65 13.726 -4.260 -4.260 497 1HB ASP 65 HB2 ASP 65 10.963 -5.207 -5.207 498 2HB ASP 65 HB1 ASP 65 12.043 -4.435 -4.435 499 H LYS 66 HN LYS 66 10.358 -3.304 -3.304 500 HA LYS 66 HA LYS 66 10.800 -0.600 -0.600 501 1HB LYS 66 HB2 LYS 66 8.634 -2.090 -2.090 502 2HB LYS 66 HB1 LYS 66 8.396 -1.496 -1.496 503 1HG LYS 66 HG2 LYS 66 8.890 0.363 0.363 504 2HG LYS 66 HG1 LYS 66 7.292 -0.182 -0.182 505 1HD LYS 66 HD2 LYS 66 8.042 0.640 0.640 506 2HD LYS 66 HD1 LYS 66 9.164 1.624 1.624 507 1HE LYS 66 HE2 LYS 66 7.074 2.851 2.851 508 2HE LYS 66 HE1 LYS 66 7.287 2.555 2.555 509 1HZ LYS 66 HZ2 LYS 66 5.924 0.392 0.392 510 2HZ LYS 66 HZ1 LYS 66 5.125 1.846 1.846 511 3HZ LYS 66 HZ3 LYS 66 5.408 1.418 1.418 512 H HIS 67 HN HIS 67 10.900 -2.320 -2.320 513 HA HIS 67 HA HIS 67 10.710 0.011 0.011 514 1HB HIS 67 HB2 HIS 67 11.573 -2.859 -2.859 515 2HB HIS 67 HB1 HIS 67 11.431 -1.664 -1.664 516 HD1 HIS 67 HD1 HIS 67 8.860 -0.328 -0.328 517 HD2 HIS 67 HD2 HIS 67 9.299 -4.363 -4.363 518 HE1 HIS 67 HE1 HIS 67 6.535 -1.336 -1.336 519 H HIS 68 HN HIS 68 13.107 -1.298 -1.298 520 HA HIS 68 HA HIS 68 15.442 -1.031 -1.031 521 1HB HIS 68 HB2 HIS 68 14.519 1.292 1.292 522 2HB HIS 68 HB1 HIS 68 14.753 1.575 1.575 523 HD1 HIS 68 HD1 HIS 68 16.913 0.231 0.231 524 HD2 HIS 68 HD2 HIS 68 17.202 2.724 2.724 525 HE1 HIS 68 HE1 HIS 68 19.286 1.118 1.118 526 H ILE 69 HN ILE 69 14.172 -2.174 -2.174 527 HA ILE 69 HA ILE 69 16.687 -2.107 -2.107 528 HB ILE 69 HB ILE 69 14.717 -0.264 -0.264 529 1HG1 ILE 69 HG12 ILE 69 17.148 -0.174 -0.174 530 2HG1 ILE 69 HG11 ILE 69 16.195 0.157 0.157 531 1HG2 ILE 69 HG21 ILE 69 13.423 -2.186 -2.186 532 2HG2 ILE 69 HG23 ILE 69 14.781 -2.475 -2.475 533 3HG2 ILE 69 HG22 ILE 69 13.894 -0.960 -0.960 534 1HD1 ILE 69 HD11 ILE 69 16.453 -2.435 -2.435 535 2HD1 ILE 69 HD13 ILE 69 17.826 -2.282 -2.282 536 3HD1 ILE 69 HD12 ILE 69 17.770 -1.354 -1.354 537 H THR 70 HN THR 70 16.738 -3.629 -3.629 538 HA THR 70 HA THR 70 14.837 -5.867 -5.867 539 HB THR 70 HB THR 70 16.876 -6.797 -6.797 540 HG1 THR 70 HG1 THR 70 16.459 -6.953 -6.953 541 1HG2 THR 70 HG21 THR 70 18.054 -4.737 -4.737 542 2HG2 THR 70 HG23 THR 70 19.023 -6.013 -6.013 543 3HG2 THR 70 HG22 THR 70 18.210 -4.833 -4.833 544 HA PRO 71 HA PRO 71 13.491 -5.188 -5.188 545 1HB PRO 71 HB2 PRO 71 13.502 -8.039 -8.039 546 2HB PRO 71 HB1 PRO 71 12.123 -6.963 -6.963 547 1HG PRO 71 HG2 PRO 71 12.843 -8.950 -8.950 548 2HG PRO 71 HG1 PRO 71 12.088 -7.436 -7.436 549 1HD PRO 71 HD2 PRO 71 14.989 -8.227 -8.227 550 2HD PRO 71 HD1 PRO 71 14.045 -7.348 -7.348 551 H LEU 72 HN LEU 72 16.614 -6.859 -6.859 552 HA LEU 72 HA LEU 72 16.923 -7.165 -7.165 553 1HB LEU 72 HB2 LEU 72 19.386 -6.147 -6.147 554 2HB LEU 72 HB1 LEU 72 19.129 -7.589 -7.589 555 HG LEU 72 HG LEU 72 19.769 -8.415 -8.415 556 1HD1 LEU 72 HD12 LEU 72 16.886 -8.602 -8.602 557 2HD1 LEU 72 HD11 LEU 72 17.327 -8.932 -8.932 558 3HD1 LEU 72 HD13 LEU 72 18.056 -9.856 -9.856 559 1HD2 LEU 72 HD23 LEU 72 18.017 -6.280 -6.280 560 2HD2 LEU 72 HD22 LEU 72 19.771 -6.400 -6.400 561 3HD2 LEU 72 HD21 LEU 72 18.776 -7.570 -7.570 562 H LEU 73 HN LEU 73 17.394 -4.299 -4.299 563 HA LEU 73 HA LEU 73 18.305 -2.669 -2.669 564 1HB LEU 73 HB2 LEU 73 17.074 -1.748 -1.748 565 2HB LEU 73 HB1 LEU 73 18.017 -0.773 -0.773 566 HG LEU 73 HG LEU 73 19.828 -2.652 -2.652 567 1HD1 LEU 73 HD11 LEU 73 17.808 -3.395 -3.395 568 2HD1 LEU 73 HD13 LEU 73 19.328 -3.013 -3.013 569 3HD1 LEU 73 HD12 LEU 73 19.280 -4.244 -4.244 570 1HD2 LEU 73 HD23 LEU 73 19.133 -0.381 -0.381 571 2HD2 LEU 73 HD22 LEU 73 20.415 -0.490 -0.490 572 3HD2 LEU 73 HD21 LEU 73 20.548 -1.379 -1.379 573 H SER 74 HN SER 74 15.231 -3.721 -3.721 574 HA SER 74 HA SER 74 13.626 -1.639 -1.639 575 1HB SER 74 HB2 SER 74 12.709 -3.422 -3.422 576 2HB SER 74 HB1 SER 74 13.046 -4.606 -4.606 577 HG SER 74 HG SER 74 10.878 -3.210 -3.210 578 H ALA 75 HN ALA 75 14.853 -4.601 -4.601 579 HA ALA 75 HA ALA 75 13.743 -3.897 -3.897 580 1HB ALA 75 HB1 ALA 75 15.844 -5.883 -5.883 581 2HB ALA 75 HB3 ALA 75 15.397 -5.657 -5.657 582 3HB ALA 75 HB2 ALA 75 14.189 -6.200 -6.200 583 H VAL 76 HN VAL 76 16.834 -3.337 -3.337 584 HA VAL 76 HA VAL 76 18.512 -2.601 -2.601 585 HB VAL 76 HB VAL 76 18.078 -1.350 -1.350 586 1HG1 VAL 76 HG11 VAL 76 19.252 0.176 0.176 587 2HG1 VAL 76 HG13 VAL 76 20.602 -0.914 -0.914 588 3HG1 VAL 76 HG12 VAL 76 19.943 0.019 0.019 589 1HG2 VAL 76 HG21 VAL 76 18.867 -3.680 -3.680 590 2HG2 VAL 76 HG23 VAL 76 20.140 -2.630 -2.630 591 3HG2 VAL 76 HG22 VAL 76 20.186 -3.193 -3.193 592 H TYR 77 HN TYR 77 16.413 -0.146 -0.146 593 HA TYR 77 HA TYR 77 16.690 1.635 1.635 594 1HB TYR 77 HB2 TYR 77 14.490 2.069 2.069 595 2HB TYR 77 HB1 TYR 77 15.682 3.210 3.210 596 HD1 TYR 77 HD2 TYR 77 17.991 3.239 3.239 597 HD2 TYR 77 HD1 TYR 77 14.900 0.768 0.768 598 HE1 TYR 77 HE2 TYR 77 19.341 2.945 2.945 599 HE2 TYR 77 HE1 TYR 77 16.247 0.474 0.474 600 HH TYR 77 HH TYR 77 19.454 1.053 1.053 601 H GLU 78 HN GLU 78 15.715 -0.843 -0.843 602 HA GLU 78 HA GLU 78 12.893 -0.156 -0.156 603 1HB GLU 78 HB2 GLU 78 13.316 -2.152 -2.152 604 2HB GLU 78 HB1 GLU 78 13.868 -3.001 -3.001 605 1HG GLU 78 HG2 GLU 78 11.647 -2.218 -2.218 606 2HG GLU 78 HG1 GLU 78 11.132 -1.892 -1.892 607 H GLY 79 HN GLY 79 16.032 -1.287 -1.287 608 1HA GLY 79 HA2 GLY 79 16.847 -1.257 -1.257 609 2HA GLY 79 HA1 GLY 79 15.189 -1.018 -1.018 610 H HIS 80 HN HIS 80 14.793 -3.307 -3.307 611 HA HIS 80 HA HIS 80 14.657 -5.463 -5.463 612 1HB HIS 80 HB2 HIS 80 13.834 -5.060 -5.060 613 2HB HIS 80 HB1 HIS 80 14.017 -6.714 -6.714 614 HD1 HIS 80 HD1 HIS 80 11.868 -7.619 -7.619 615 HD2 HIS 80 HD2 HIS 80 12.166 -3.528 -3.528 616 HE1 HIS 80 HE1 HIS 80 9.755 -6.961 -6.961 617 H VAL 81 HN VAL 81 16.189 -5.145 -5.145 618 HA VAL 81 HA VAL 81 17.916 -6.455 -6.455 619 HB VAL 81 HB VAL 81 20.074 -5.901 -5.901 620 1HG1 VAL 81 HG11 VAL 81 19.208 -4.861 -4.861 621 2HG1 VAL 81 HG13 VAL 81 18.409 -3.654 -3.654 622 3HG1 VAL 81 HG12 VAL 81 20.164 -3.794 -3.794 623 1HG2 VAL 81 HG22 VAL 81 18.731 -5.277 -5.277 624 2HG2 VAL 81 HG21 VAL 81 19.726 -3.948 -3.948 625 3HG2 VAL 81 HG23 VAL 81 17.997 -3.971 -3.971 626 H SER 82 HN SER 82 16.291 -7.851 -7.851 627 HA SER 82 HA SER 82 18.266 -9.858 -9.858 628 1HB SER 82 HB2 SER 82 15.780 -9.029 -9.029 629 2HB SER 82 HB1 SER 82 15.405 -10.561 -10.561 630 HG SER 82 HG SER 82 17.721 -10.517 -10.517 631 H CYS 83 HN CYS 83 16.142 -9.031 -9.031 632 HA CYS 83 HA CYS 83 15.959 -11.700 -11.700 633 1HB CYS 83 HB2 CYS 83 15.101 -10.084 -10.084 634 2HB CYS 83 HB1 CYS 83 14.081 -10.459 -10.459 635 HG CYS 83 HG CYS 83 14.110 -7.869 -7.869 636 H VAL 84 HN VAL 84 17.471 -8.564 -8.564 637 HA VAL 84 HA VAL 84 18.910 -9.244 -9.244 638 HB VAL 84 HB VAL 84 20.753 -7.814 -7.814 639 1HG1 VAL 84 HG11 VAL 84 18.554 -6.867 -6.867 640 2HG1 VAL 84 HG13 VAL 84 18.105 -6.649 -6.649 641 3HG1 VAL 84 HG12 VAL 84 19.496 -5.791 -5.791 642 1HG2 VAL 84 HG21 VAL 84 19.333 -8.288 -8.288 643 2HG2 VAL 84 HG23 VAL 84 21.061 -8.342 -8.342 644 3HG2 VAL 84 HG22 VAL 84 20.226 -6.793 -6.793 645 H LYS 85 HN LYS 85 19.738 -10.068 -10.068 646 HA LYS 85 HA LYS 85 22.208 -11.302 -11.302 647 1HB LYS 85 HB2 LYS 85 19.884 -11.969 -11.969 648 2HB LYS 85 HB1 LYS 85 21.462 -12.715 -12.715 649 1HG LYS 85 HG2 LYS 85 21.869 -9.887 -9.887 650 2HG LYS 85 HG1 LYS 85 20.601 -10.172 -10.172 651 1HD LYS 85 HD2 LYS 85 22.598 -10.279 -10.279 652 2HD LYS 85 HD1 LYS 85 22.181 -11.970 -11.970 653 1HE LYS 85 HE2 LYS 85 24.456 -11.916 -11.916 654 2HE LYS 85 HE1 LYS 85 23.677 -11.727 -11.727 655 1HZ LYS 85 HZ3 LYS 85 24.234 -9.307 -9.307 656 2HZ LYS 85 HZ2 LYS 85 25.559 -10.097 -10.097 657 3HZ LYS 85 HZ1 LYS 85 24.275 -9.557 -9.557 658 H LEU 86 HN LEU 86 19.342 -13.364 -13.364 659 HA LEU 86 HA LEU 86 20.534 -15.551 -15.551 660 1HB LEU 86 HB2 LEU 86 18.849 -16.770 -16.770 661 2HB LEU 86 HB1 LEU 86 18.539 -15.321 -15.321 662 HG LEU 86 HG LEU 86 16.451 -15.978 -15.978 663 1HD1 LEU 86 HD11 LEU 86 17.404 -13.538 -13.538 664 2HD1 LEU 86 HD13 LEU 86 16.862 -14.122 -14.122 665 3HD1 LEU 86 HD12 LEU 86 15.733 -14.043 -14.043 666 1HD2 LEU 86 HD22 LEU 86 17.904 -17.186 -17.186 667 2HD2 LEU 86 HD21 LEU 86 16.174 -17.294 -17.294 668 3HD2 LEU 86 HD23 LEU 86 16.796 -16.049 -16.049 669 H LEU 87 HN LEU 87 19.563 -12.772 -12.772 670 HA LEU 87 HA LEU 87 18.074 -13.745 -13.745 671 1HB LEU 87 HB2 LEU 87 18.635 -11.264 -11.264 672 2HB LEU 87 HB1 LEU 87 19.426 -11.211 -11.211 673 HG LEU 87 HG LEU 87 16.533 -11.977 -11.977 674 1HD1 LEU 87 HD12 LEU 87 17.794 -9.452 -9.452 675 2HD1 LEU 87 HD11 LEU 87 16.066 -9.804 -9.804 676 3HD1 LEU 87 HD13 LEU 87 16.913 -9.604 -9.604 677 1HD2 LEU 87 HD23 LEU 87 18.343 -11.914 -11.914 678 2HD2 LEU 87 HD22 LEU 87 17.051 -13.048 -13.048 679 3HD2 LEU 87 HD21 LEU 87 16.660 -11.446 -11.446 680 H LEU 88 HN LEU 88 21.228 -11.983 -11.983 681 HA LEU 88 HA LEU 88 21.899 -12.977 -12.977 682 1HB LEU 88 HB2 LEU 88 24.153 -12.294 -12.294 683 2HB LEU 88 HB1 LEU 88 23.131 -11.104 -11.104 684 HG LEU 88 HG LEU 88 24.935 -11.499 -11.499 685 1HD1 LEU 88 HD11 LEU 88 22.588 -11.576 -11.576 686 2HD1 LEU 88 HD13 LEU 88 22.790 -13.320 -13.320 687 3HD1 LEU 88 HD12 LEU 88 23.864 -12.258 -12.258 688 1HD2 LEU 88 HD22 LEU 88 25.254 -13.915 -13.915 689 2HD2 LEU 88 HD21 LEU 88 26.026 -13.473 -13.473 690 3HD2 LEU 88 HD23 LEU 88 24.539 -14.421 -14.421 691 H SER 89 HN SER 89 21.757 -14.692 -14.692 692 HA SER 89 HA SER 89 23.750 -16.675 -16.675 693 1HB SER 89 HB2 SER 89 21.128 -16.582 -16.582 694 2HB SER 89 HB1 SER 89 21.834 -18.164 -18.164 695 HG SER 89 HG SER 89 22.665 -16.117 -16.117 696 H LYS 90 HN LYS 90 20.814 -15.915 -15.915 697 HA LYS 90 HA LYS 90 20.785 -18.530 -18.530 698 1HB LYS 90 HB2 LYS 90 18.882 -16.166 -16.166 699 2HB LYS 90 HB1 LYS 90 18.678 -17.585 -17.585 700 1HG LYS 90 HG2 LYS 90 17.508 -18.469 -18.469 701 2HG LYS 90 HG1 LYS 90 19.051 -18.685 -18.685 702 1HD LYS 90 HD2 LYS 90 17.770 -17.488 -17.488 703 2HD LYS 90 HD1 LYS 90 18.739 -16.240 -16.240 704 1HE LYS 90 HE2 LYS 90 16.840 -15.716 -15.716 705 2HE LYS 90 HE1 LYS 90 15.870 -16.944 -16.944 706 1HZ LYS 90 HZ3 LYS 90 17.030 -15.182 -15.182 707 2HZ LYS 90 HZ2 LYS 90 16.174 -14.295 -14.295 708 3HZ LYS 90 HZ1 LYS 90 15.390 -15.513 -15.513 709 H GLY 91 HN GLY 91 21.790 -15.268 -15.268 710 1HA GLY 91 HA2 GLY 91 23.451 -15.203 -15.203 711 2HA GLY 91 HA1 GLY 91 21.952 -15.407 -15.407 712 H ALA 92 HN ALA 92 20.604 -13.646 -13.646 713 HA ALA 92 HA ALA 92 20.200 -11.333 -11.333 714 1HB ALA 92 HB2 ALA 92 20.040 -12.134 -12.134 715 2HB ALA 92 HB1 ALA 92 20.546 -10.452 -10.452 716 3HB ALA 92 HB3 ALA 92 19.044 -10.972 -10.972 717 H ASP 93 HN ASP 93 23.205 -12.330 -12.330 718 HA ASP 93 HA ASP 93 25.314 -11.265 -11.265 719 1HB ASP 93 HB2 ASP 93 24.625 -10.824 -10.824 720 2HB ASP 93 HB1 ASP 93 23.995 -9.265 -9.265 721 H LYS 94 HN LYS 94 24.364 -8.099 -8.099 722 HA LYS 94 HA LYS 94 23.492 -7.326 -7.326 723 1HB LYS 94 HB2 LYS 94 25.575 -5.899 -5.899 724 2HB LYS 94 HB1 LYS 94 25.694 -7.624 -7.624 725 1HG LYS 94 HG2 LYS 94 27.250 -7.932 -7.932 726 2HG LYS 94 HG1 LYS 94 26.399 -6.908 -6.908 727 1HD LYS 94 HD2 LYS 94 27.954 -5.779 -5.779 728 2HD LYS 94 HD1 LYS 94 28.675 -6.033 -6.033 729 1HE LYS 94 HE2 LYS 94 26.688 -4.684 -4.684 730 2HE LYS 94 HE1 LYS 94 26.416 -4.181 -4.181 731 1HZ LYS 94 HZ2 LYS 94 29.098 -3.854 -3.854 732 2HZ LYS 94 HZ1 LYS 94 28.401 -3.320 -3.320 733 3HZ LYS 94 HZ3 LYS 94 27.921 -2.629 -2.629 734 H THR 95 HN THR 95 24.765 -6.544 -6.544 735 HA THR 95 HA THR 95 23.039 -4.103 -4.103 736 HB THR 95 HB THR 95 24.738 -3.325 -3.325 737 HG1 THR 95 HG1 THR 95 25.880 -5.374 -5.374 738 1HG2 THR 95 HG23 THR 95 24.990 -3.170 -3.170 739 2HG2 THR 95 HG22 THR 95 26.276 -2.494 -2.494 740 3HG2 THR 95 HG21 THR 95 24.627 -1.893 -1.893 741 H VAL 96 HN VAL 96 21.865 -6.363 -6.363 742 HA VAL 96 HA VAL 96 22.314 -7.207 -7.207 743 HB VAL 96 HB VAL 96 19.858 -7.480 -7.480 744 1HG1 VAL 96 HG11 VAL 96 20.654 -8.794 -8.794 745 2HG1 VAL 96 HG13 VAL 96 19.403 -9.441 -9.441 746 3HG1 VAL 96 HG12 VAL 96 19.201 -7.847 -7.847 747 1HG2 VAL 96 HG21 VAL 96 22.212 -9.328 -9.328 748 2HG2 VAL 96 HG23 VAL 96 21.783 -8.565 -8.565 749 3HG2 VAL 96 HG22 VAL 96 20.741 -9.810 -9.810 750 H LYS 97 HN LYS 97 20.804 -4.402 -4.402 751 HA LYS 97 HA LYS 97 20.168 -3.460 -3.460 752 1HB LYS 97 HB2 LYS 97 18.295 -5.120 -5.120 753 2HB LYS 97 HB1 LYS 97 17.708 -3.754 -3.754 754 1HG LYS 97 HG2 LYS 97 17.171 -2.517 -2.517 755 2HG LYS 97 HG1 LYS 97 18.438 -3.236 -3.236 756 1HD LYS 97 HD2 LYS 97 16.178 -4.983 -4.983 757 2HD LYS 97 HD1 LYS 97 15.895 -3.855 -3.855 758 1HE LYS 97 HE2 LYS 97 17.614 -4.845 -4.845 759 2HE LYS 97 HE1 LYS 97 18.246 -5.762 -5.762 760 1HZ LYS 97 HZ1 LYS 97 16.113 -6.964 -6.964 761 2HZ LYS 97 HZ3 LYS 97 15.612 -6.145 -6.145 762 3HZ LYS 97 HZ2 LYS 97 16.938 -7.201 -7.201 763 H GLY 98 HN GLY 98 20.969 -2.740 -2.740 764 1HA GLY 98 HA2 GLY 98 19.449 -0.301 -0.301 765 2HA GLY 98 HA1 GLY 98 20.945 -0.717 -0.717 766 HA PRO 99 HA PRO 99 21.411 2.790 2.790 767 1HB PRO 99 HB2 PRO 99 22.783 4.187 4.187 768 2HB PRO 99 HB1 PRO 99 21.362 4.704 4.704 769 1HG PRO 99 HG2 PRO 99 21.462 3.688 3.688 770 2HG PRO 99 HG1 PRO 99 20.043 4.246 4.246 771 1HD PRO 99 HD2 PRO 99 20.642 1.551 1.551 772 2HD PRO 99 HD1 PRO 99 19.351 2.086 2.086 773 H ASP 100 HN ASP 100 23.714 2.557 2.557 774 HA ASP 100 HA ASP 100 25.583 1.058 1.058 775 1HB ASP 100 HB2 ASP 100 25.919 3.569 3.569 776 2HB ASP 100 HB1 ASP 100 26.460 3.663 3.663 777 H GLY 101 HN GLY 101 27.569 2.269 2.269 778 1HA GLY 101 HA2 GLY 101 27.546 0.013 0.013 779 2HA GLY 101 HA1 GLY 101 28.443 1.498 1.498 780 H LEU 102 HN LEU 102 25.170 2.243 2.243 781 HA LEU 102 HA LEU 102 24.782 3.219 3.219 782 1HB LEU 102 HB2 LEU 102 23.221 3.664 3.664 783 2HB LEU 102 HB1 LEU 102 22.585 2.036 2.036 784 HG LEU 102 HG LEU 102 22.462 4.271 4.271 785 1HD1 LEU 102 HD13 LEU 102 20.399 2.935 2.935 786 2HD1 LEU 102 HD12 LEU 102 19.972 3.906 3.906 787 3HD1 LEU 102 HD11 LEU 102 20.822 4.645 4.645 788 1HD2 LEU 102 HD23 LEU 102 21.721 1.359 1.359 789 2HD2 LEU 102 HD22 LEU 102 22.577 2.356 2.356 790 3HD2 LEU 102 HD21 LEU 102 20.847 2.561 2.561 791 H THR 103 HN THR 103 23.240 0.236 0.236 792 HA THR 103 HA THR 103 22.283 -1.373 -1.373 793 HB THR 103 HB THR 103 24.028 -2.649 -2.649 794 HG1 THR 103 HG1 THR 103 23.728 -3.669 -3.669 795 1HG2 THR 103 HG23 THR 103 25.833 -0.681 -0.681 796 2HG2 THR 103 HG22 THR 103 26.440 -2.230 -2.230 797 3HG2 THR 103 HG21 THR 103 25.764 -1.063 -1.063 798 H ALA 104 HN ALA 104 24.930 -1.604 -1.604 799 HA ALA 104 HA ALA 104 23.373 -0.456 -0.456 800 1HB ALA 104 HB1 ALA 104 25.872 -2.150 -2.150 801 2HB ALA 104 HB3 ALA 104 25.251 -1.517 -1.517 802 3HB ALA 104 HB2 ALA 104 24.278 -2.634 -2.634 803 H LEU 105 HN LEU 105 26.291 0.257 0.257 804 HA LEU 105 HA LEU 105 27.698 1.853 1.853 805 1HB LEU 105 HB2 LEU 105 27.433 2.527 2.527 806 2HB LEU 105 HB1 LEU 105 28.808 2.789 2.789 807 HG LEU 105 HG LEU 105 27.746 0.119 0.119 808 1HD1 LEU 105 HD11 LEU 105 29.054 1.541 1.541 809 2HD1 LEU 105 HD13 LEU 105 30.416 1.460 1.460 810 3HD1 LEU 105 HD12 LEU 105 29.803 -0.012 -0.012 811 1HD2 LEU 105 HD21 LEU 105 29.889 0.881 0.881 812 2HD2 LEU 105 HD23 LEU 105 28.561 -0.267 -0.267 813 3HD2 LEU 105 HD22 LEU 105 29.923 -0.669 -0.669 814 H GLU 106 HN GLU 106 25.787 3.343 3.343 815 HA GLU 106 HA GLU 106 25.695 5.808 5.808 816 1HB GLU 106 HB2 GLU 106 24.198 5.162 5.162 817 2HB GLU 106 HB1 GLU 106 24.675 6.744 6.744 818 1HG GLU 106 HG2 GLU 106 26.689 4.582 4.582 819 2HG GLU 106 HG1 GLU 106 26.135 5.759 5.759 820 H ALA 107 HN ALA 107 24.005 3.068 3.068 821 HA ALA 107 HA ALA 107 21.307 4.133 4.133 822 1HB ALA 107 HB1 ALA 107 22.604 1.589 1.589 823 2HB ALA 107 HB3 ALA 107 20.962 1.955 1.955 824 3HB ALA 107 HB2 ALA 107 21.350 1.824 1.824 825 H THR 108 HN THR 108 23.744 3.397 3.397 826 HA THR 108 HA THR 108 22.371 5.402 5.402 827 HB THR 108 HB THR 108 21.054 3.319 3.319 828 HG1 THR 108 HG1 THR 108 21.178 3.333 3.333 829 1HG2 THR 108 HG21 THR 108 23.275 1.945 1.945 830 2HG2 THR 108 HG23 THR 108 23.420 2.137 2.137 831 3HG2 THR 108 HG22 THR 108 22.013 1.333 1.333 832 H ASP 109 HN ASP 109 23.288 4.145 4.145 833 HA ASP 109 HA ASP 109 26.218 4.179 4.179 834 1HB ASP 109 HB2 ASP 109 25.549 6.548 6.548 835 2HB ASP 109 HB1 ASP 109 24.669 6.054 6.054 836 H ASN 110 HN ASN 110 23.375 2.845 2.845 837 HA ASN 110 HA ASN 110 24.481 2.053 2.053 838 1HB ASN 110 HB2 ASN 110 22.544 0.389 0.389 839 2HB ASN 110 HB1 ASN 110 22.071 2.080 2.080 840 1HD2 ASN 110 HD21 ASN 110 23.431 0.304 0.304 841 2HD2 ASN 110 HD22 ASN 110 22.033 0.333 0.333 842 H GLN 111 HN GLN 111 25.556 0.109 0.109 843 HA GLN 111 HA GLN 111 26.969 -0.948 -0.948 844 1HB GLN 111 HB2 GLN 111 28.153 -0.672 -0.672 845 2HB GLN 111 HB1 GLN 111 26.974 -1.601 -1.601 846 1HG GLN 111 HG2 GLN 111 27.724 -3.637 -3.637 847 2HG GLN 111 HG1 GLN 111 28.482 -2.867 -2.867 848 1HE2 GLN 111 HE21 GLN 111 29.410 -4.452 -4.452 849 2HE2 GLN 111 HE22 GLN 111 30.823 -3.601 -3.601 850 H ALA 112 HN ALA 112 23.869 -1.793 -1.793 851 HA ALA 112 HA ALA 112 24.235 -4.702 -4.702 852 1HB ALA 112 HB3 ALA 112 21.723 -3.015 -3.015 853 2HB ALA 112 HB2 ALA 112 21.753 -4.778 -4.778 854 3HB ALA 112 HB1 ALA 112 22.363 -3.899 -3.899 855 H ILE 113 HN ILE 113 23.020 -2.012 -2.012 856 HA ILE 113 HA ILE 113 22.385 -3.391 -3.391 857 HB ILE 113 HB ILE 113 22.966 -0.578 -0.578 858 1HG1 ILE 113 HG12 ILE 113 20.733 -0.258 -0.258 859 2HG1 ILE 113 HG11 ILE 113 20.624 -2.014 -2.014 860 1HG2 ILE 113 HG22 ILE 113 23.023 -1.581 -1.581 861 2HG2 ILE 113 HG21 ILE 113 22.469 0.055 0.055 862 3HG2 ILE 113 HG23 ILE 113 24.101 -0.445 -0.445 863 1HD1 ILE 113 HD11 ILE 113 21.269 -1.500 -1.500 864 2HD1 ILE 113 HD13 ILE 113 20.319 -0.070 -0.070 865 3HD1 ILE 113 HD12 ILE 113 19.617 -1.672 -1.672 866 H LYS 114 HN LYS 114 25.063 -1.385 -1.385 867 HA LYS 114 HA LYS 114 26.757 -1.726 -1.726 868 1HB LYS 114 HB2 LYS 114 27.630 -1.540 -1.540 869 2HB LYS 114 HB1 LYS 114 28.536 -1.006 -1.006 870 1HG LYS 114 HG2 LYS 114 25.833 0.126 0.126 871 2HG LYS 114 HG1 LYS 114 27.361 0.866 0.866 872 1HD LYS 114 HD2 LYS 114 27.935 0.856 0.856 873 2HD LYS 114 HD1 LYS 114 26.232 0.494 0.494 874 1HE LYS 114 HE2 LYS 114 26.322 2.845 2.845 875 2HE LYS 114 HE1 LYS 114 25.762 2.533 2.533 876 1HZ LYS 114 HZ3 LYS 114 28.036 2.761 2.761 877 2HZ LYS 114 HZ2 LYS 114 28.569 3.066 3.066 878 3HZ LYS 114 HZ1 LYS 114 27.537 4.167 4.167 879 H ALA 115 HN ALA 115 25.635 -4.028 -4.028 880 HA ALA 115 HA ALA 115 27.859 -5.826 -5.826 881 1HB ALA 115 HB3 ALA 115 25.697 -5.920 -5.920 882 2HB ALA 115 HB2 ALA 115 24.988 -6.746 -6.746 883 3HB ALA 115 HB1 ALA 115 26.378 -7.447 -7.447 884 H LEU 116 HN LEU 116 25.059 -5.450 -5.450 885 HA LEU 116 HA LEU 116 25.779 -7.719 -7.719 886 1HB LEU 116 HB2 LEU 116 23.960 -5.407 -5.407 887 2HB LEU 116 HB1 LEU 116 24.655 -5.921 -5.921 888 HG LEU 116 HG LEU 116 23.121 -7.662 -7.662 889 1HD1 LEU 116 HD13 LEU 116 22.517 -6.631 -6.631 890 2HD1 LEU 116 HD12 LEU 116 21.577 -7.885 -7.885 891 3HD1 LEU 116 HD11 LEU 116 21.645 -6.259 -6.259 892 1HD2 LEU 116 HD21 LEU 116 24.951 -8.335 -8.335 893 2HD2 LEU 116 HD23 LEU 116 24.411 -9.327 -9.327 894 3HD2 LEU 116 HD22 LEU 116 23.383 -9.143 -9.143 895 H LEU 117 HN LEU 117 27.168 -4.578 -4.578 896 HA LEU 117 HA LEU 117 28.695 -4.801 -4.801 897 1HB LEU 117 HB2 LEU 117 28.995 -2.571 -2.571 898 2HB LEU 117 HB1 LEU 117 27.893 -2.655 -2.655 899 HG LEU 117 HG LEU 117 30.029 -3.250 -3.250 900 1HD1 LEU 117 HD12 LEU 117 31.193 -3.049 -3.049 901 2HD1 LEU 117 HD11 LEU 117 31.658 -1.571 -1.571 902 3HD1 LEU 117 HD13 LEU 117 32.049 -3.133 -3.133 903 1HD2 LEU 117 HD22 LEU 117 28.634 -1.005 -1.005 904 2HD2 LEU 117 HD21 LEU 117 30.182 -1.005 -1.005 905 3HD2 LEU 117 HD23 LEU 117 30.084 -0.447 -0.447 906 H GLN 118 HN GLN 118 28.682 -6.312 -6.312 907 HA GLN 118 HA GLN 118 31.444 -6.345 -6.345 908 1HB GLN 118 HB2 GLN 118 29.516 -6.986 -6.986 909 2HB GLN 118 HB1 GLN 118 29.332 -8.429 -8.429 910 1HG GLN 118 HG2 GLN 118 31.513 -9.193 -9.193 911 2HG GLN 118 HG1 GLN 118 31.882 -7.697 -7.697 912 1HE2 GLN 118 HE21 GLN 118 29.418 -7.393 -7.393 913 2HE2 GLN 118 HE22 GLN 118 29.290 -8.672 -8.672 Start of MODEL 7 1 1H MET 1 HT3 MET 1 -8.678 -12.813 -12.813 2 2H MET 1 HT2 MET 1 -10.028 -13.709 -13.709 3 3H MET 1 HT1 MET 1 -8.623 -14.508 -14.508 4 HA MET 1 HA MET 1 -9.440 -14.588 -14.588 5 1HB MET 1 HB2 MET 1 -11.660 -14.346 -14.346 6 2HB MET 1 HB1 MET 1 -11.600 -12.633 -12.633 7 1HG MET 1 HG2 MET 1 -12.891 -13.729 -13.729 8 2HG MET 1 HG1 MET 1 -11.324 -13.336 -13.336 9 1HE MET 1 HE2 MET 1 -13.274 -15.248 -15.248 10 2HE MET 1 HE1 MET 1 -11.667 -15.120 -15.120 11 3HE MET 1 HE3 MET 1 -12.375 -16.710 -16.710 12 H CYS 2 HN CYS 2 -10.182 -11.205 -11.205 13 HA CYS 2 HA CYS 2 -9.154 -10.199 -10.199 14 1HB CYS 2 HB2 CYS 2 -9.828 -8.727 -8.727 15 2HB CYS 2 HB1 CYS 2 -9.541 -7.973 -7.973 16 HG CYS 2 HG CYS 2 -12.174 -8.993 -8.993 17 H ASP 3 HN ASP 3 -7.359 -8.502 -8.502 18 HA ASP 3 HA ASP 3 -4.933 -9.616 -9.616 19 1HB ASP 3 HB2 ASP 3 -5.507 -6.683 -6.683 20 2HB ASP 3 HB1 ASP 3 -3.919 -7.450 -7.450 21 H LYS 4 HN LYS 4 -7.161 -7.427 -7.427 22 HA LYS 4 HA LYS 4 -5.651 -6.402 -6.402 23 1HB LYS 4 HB2 LYS 4 -8.486 -7.450 -7.450 24 2HB LYS 4 HB1 LYS 4 -7.796 -6.669 -6.669 25 1HG LYS 4 HG2 LYS 4 -7.716 -5.361 -5.361 26 2HG LYS 4 HG1 LYS 4 -9.095 -5.165 -5.165 27 1HD LYS 4 HD2 LYS 4 -7.258 -4.519 -4.519 28 2HD LYS 4 HD1 LYS 4 -6.265 -4.207 -4.207 29 1HE LYS 4 HE2 LYS 4 -7.352 -2.137 -2.137 30 2HE LYS 4 HE1 LYS 4 -8.145 -2.753 -2.753 31 1HZ LYS 4 HZ3 LYS 4 -9.426 -3.870 -3.870 32 2HZ LYS 4 HZ2 LYS 4 -9.271 -2.206 -2.206 33 3HZ LYS 4 HZ1 LYS 4 -10.047 -2.745 -2.745 34 H GLU 5 HN GLU 5 -7.279 -9.591 -9.591 35 HA GLU 5 HA GLU 5 -6.280 -10.422 -10.422 36 1HB GLU 5 HB2 GLU 5 -7.132 -12.084 -12.084 37 2HB GLU 5 HB1 GLU 5 -6.866 -12.716 -12.716 38 1HG GLU 5 HG2 GLU 5 -8.825 -10.493 -10.493 39 2HG GLU 5 HG1 GLU 5 -9.281 -12.194 -12.194 40 H PHE 6 HN PHE 6 -5.205 -11.528 -11.528 41 HA PHE 6 HA PHE 6 -2.877 -12.866 -12.866 42 1HB PHE 6 HB2 PHE 6 -3.848 -12.861 -12.861 43 2HB PHE 6 HB1 PHE 6 -3.117 -11.272 -11.272 44 HD1 PHE 6 HD2 PHE 6 -2.169 -14.691 -14.691 45 HD2 PHE 6 HD1 PHE 6 -0.988 -11.186 -11.186 46 HE1 PHE 6 HE2 PHE 6 -0.007 -15.767 -15.767 47 HE2 PHE 6 HE1 PHE 6 1.174 -12.263 -12.263 48 HZ PHE 6 HZ PHE 6 1.664 -14.554 -14.554 49 H MET 7 HN MET 7 -3.427 -9.456 -9.456 50 HA MET 7 HA MET 7 -0.674 -8.631 -8.631 51 1HB MET 7 HB2 MET 7 -2.392 -7.317 -7.317 52 2HB MET 7 HB1 MET 7 -3.236 -7.040 -7.040 53 1HG MET 7 HG2 MET 7 -0.917 -6.106 -6.106 54 2HG MET 7 HG1 MET 7 -0.588 -5.948 -5.948 55 1HE MET 7 HE3 MET 7 -2.594 -5.198 -5.198 56 2HE MET 7 HE2 MET 7 -4.022 -5.580 -5.580 57 3HE MET 7 HE1 MET 7 -3.753 -3.928 -3.928 58 H TRP 8 HN TRP 8 -3.432 -7.733 -7.733 59 HA TRP 8 HA TRP 8 -2.002 -6.891 -6.891 60 1HB TRP 8 HB2 TRP 8 -4.508 -6.796 -6.796 61 2HB TRP 8 HB1 TRP 8 -4.574 -8.482 -8.482 62 HD1 TRP 8 HD1 TRP 8 -4.071 -9.033 -9.033 63 HE1 TRP 8 HE1 TRP 8 -4.039 -7.560 -7.560 64 HE3 TRP 8 HE3 TRP 8 -3.950 -4.403 -4.403 65 HZ2 TRP 8 HZ2 TRP 8 -3.971 -4.785 -4.785 66 HZ3 TRP 8 HZ3 TRP 8 -3.904 -2.363 -2.363 67 HH2 TRP 8 HH2 TRP 8 -3.915 -2.549 -2.549 68 H ALA 9 HN ALA 9 -2.124 -10.007 -10.007 69 HA ALA 9 HA ALA 9 -1.675 -11.506 -11.506 70 1HB ALA 9 HB1 ALA 9 -1.894 -12.029 -12.029 71 2HB ALA 9 HB3 ALA 9 -0.743 -13.079 -13.079 72 3HB ALA 9 HB2 ALA 9 -2.422 -13.020 -13.020 73 H LEU 10 HN LEU 10 0.428 -11.043 -11.043 74 HA LEU 10 HA LEU 10 2.866 -11.808 -11.808 75 1HB LEU 10 HB2 LEU 10 2.484 -9.201 -9.201 76 2HB LEU 10 HB1 LEU 10 3.904 -10.233 -10.233 77 HG LEU 10 HG LEU 10 1.454 -11.646 -11.646 78 1HD1 LEU 10 HD12 LEU 10 1.429 -9.054 -9.054 79 2HD1 LEU 10 HD11 LEU 10 2.379 -9.820 -9.820 80 3HD1 LEU 10 HD13 LEU 10 0.759 -10.401 -10.401 81 1HD2 LEU 10 HD23 LEU 10 3.871 -12.393 -12.393 82 2HD2 LEU 10 HD22 LEU 10 2.915 -12.483 -12.483 83 3HD2 LEU 10 HD21 LEU 10 4.050 -11.153 -11.153 84 H LYS 11 HN LYS 11 0.986 -9.157 -9.157 85 HA LYS 11 HA LYS 11 3.241 -7.776 -7.776 86 1HB LYS 11 HB2 LYS 11 1.597 -6.381 -6.381 87 2HB LYS 11 HB1 LYS 11 0.285 -7.271 -7.271 88 1HG LYS 11 HG2 LYS 11 0.887 -6.436 -6.436 89 2HG LYS 11 HG1 LYS 11 2.377 -5.724 -5.724 90 1HD LYS 11 HD2 LYS 11 1.253 -4.001 -4.001 91 2HD LYS 11 HD1 LYS 11 -0.243 -4.925 -4.925 92 1HE LYS 11 HE2 LYS 11 -0.197 -3.001 -3.001 93 2HE LYS 11 HE1 LYS 11 -0.799 -4.565 -4.565 94 1HZ LYS 11 HZ2 LYS 11 2.059 -4.183 -4.183 95 2HZ LYS 11 HZ1 LYS 11 1.122 -3.178 -3.178 96 3HZ LYS 11 HZ3 LYS 11 0.959 -4.863 -4.863 97 H ASN 12 HN ASN 12 0.106 -8.939 -8.939 98 HA ASN 12 HA ASN 12 1.027 -8.712 -8.712 99 1HB ASN 12 HB2 ASN 12 -1.353 -8.612 -8.612 100 2HB ASN 12 HB1 ASN 12 -1.304 -10.371 -10.371 101 1HD2 ASN 12 HD21 ASN 12 0.197 -8.206 -8.206 102 2HD2 ASN 12 HD22 ASN 12 -0.731 -8.775 -8.775 103 H GLY 13 HN GLY 13 2.711 -10.498 -10.498 104 1HA GLY 13 HA2 GLY 13 3.750 -12.606 -12.606 105 2HA GLY 13 HA1 GLY 13 3.283 -12.477 -12.477 106 H ASP 14 HN ASP 14 0.813 -12.442 -12.442 107 HA ASP 14 HA ASP 14 -0.563 -14.703 -14.703 108 1HB ASP 14 HB2 ASP 14 -2.168 -14.283 -14.283 109 2HB ASP 14 HB1 ASP 14 -1.363 -12.707 -12.707 110 H LEU 15 HN LEU 15 2.253 -14.878 -14.878 111 HA LEU 15 HA LEU 15 2.825 -16.193 -16.193 112 1HB LEU 15 HB2 LEU 15 4.173 -16.109 -16.109 113 2HB LEU 15 HB1 LEU 15 3.310 -17.548 -17.548 114 HG LEU 15 HG LEU 15 5.637 -17.798 -17.798 115 1HD1 LEU 15 HD13 LEU 15 3.818 -19.588 -19.588 116 2HD1 LEU 15 HD12 LEU 15 3.503 -19.511 -19.511 117 3HD1 LEU 15 HD11 LEU 15 5.096 -19.976 -19.976 118 1HD2 LEU 15 HD21 LEU 15 4.863 -16.330 -16.330 119 2HD2 LEU 15 HD23 LEU 15 5.735 -17.810 -17.810 120 3HD2 LEU 15 HD22 LEU 15 3.983 -17.758 -17.758 121 H ASP 16 HN ASP 16 0.576 -17.520 -17.520 122 HA ASP 16 HA ASP 16 0.338 -20.116 -20.116 123 1HB ASP 16 HB2 ASP 16 -1.880 -18.676 -18.676 124 2HB ASP 16 HB1 ASP 16 -1.504 -20.396 -20.396 125 H GLU 17 HN GLU 17 -1.349 -17.054 -17.054 126 HA GLU 17 HA GLU 17 -3.218 -18.378 -18.378 127 1HB GLU 17 HB2 GLU 17 -3.134 -15.895 -15.895 128 2HB GLU 17 HB1 GLU 17 -3.029 -15.512 -15.512 129 1HG GLU 17 HG2 GLU 17 -4.992 -17.091 -17.091 130 2HG GLU 17 HG1 GLU 17 -5.165 -17.124 -17.124 131 H VAL 18 HN VAL 18 -0.244 -16.469 -16.469 132 HA VAL 18 HA VAL 18 -0.417 -16.309 -16.309 133 HB VAL 18 HB VAL 18 2.324 -16.303 -16.303 134 1HG1 VAL 18 HG13 VAL 18 0.307 -14.055 -14.055 135 2HG1 VAL 18 HG12 VAL 18 2.053 -13.814 -13.814 136 3HG1 VAL 18 HG11 VAL 18 1.345 -14.736 -14.736 137 1HG2 VAL 18 HG23 VAL 18 1.525 -16.362 -16.362 138 2HG2 VAL 18 HG22 VAL 18 2.410 -14.891 -14.891 139 3HG2 VAL 18 HG21 VAL 18 0.651 -14.860 -14.860 140 H LYS 19 HN LYS 19 0.781 -18.620 -18.620 141 HA LYS 19 HA LYS 19 2.309 -20.256 -20.256 142 1HB LYS 19 HB2 LYS 19 2.391 -20.258 -20.258 143 2HB LYS 19 HB1 LYS 19 0.835 -21.083 -21.083 144 1HG LYS 19 HG2 LYS 19 1.744 -23.013 -23.013 145 2HG LYS 19 HG1 LYS 19 3.224 -22.168 -22.168 146 1HD LYS 19 HD2 LYS 19 2.519 -22.327 -22.327 147 2HD LYS 19 HD1 LYS 19 3.168 -23.768 -23.768 148 1HE LYS 19 HE2 LYS 19 5.170 -22.609 -22.609 149 2HE LYS 19 HE1 LYS 19 4.497 -21.051 -21.051 150 1HZ LYS 19 HZ1 LYS 19 4.434 -21.836 -21.836 151 2HZ LYS 19 HZ3 LYS 19 5.110 -23.318 -23.318 152 3HZ LYS 19 HZ2 LYS 19 6.014 -21.888 -21.888 153 H ASP 20 HN ASP 20 -1.088 -20.167 -20.167 154 HA ASP 20 HA ASP 20 -1.773 -22.677 -22.677 155 1HB ASP 20 HB2 ASP 20 -3.150 -21.429 -21.429 156 2HB ASP 20 HB1 ASP 20 -3.617 -20.321 -20.321 157 H TYR 21 HN TYR 21 -2.049 -19.298 -19.298 158 HA TYR 21 HA TYR 21 -3.258 -19.891 -19.891 159 1HB TYR 21 HB2 TYR 21 -1.566 -17.601 -17.601 160 2HB TYR 21 HB1 TYR 21 -2.108 -17.670 -17.670 161 HD1 TYR 21 HD2 TYR 21 -4.648 -18.086 -18.086 162 HD2 TYR 21 HD1 TYR 21 -3.004 -16.774 -16.774 163 HE1 TYR 21 HE2 TYR 21 -6.880 -17.247 -17.247 164 HE2 TYR 21 HE1 TYR 21 -5.234 -15.934 -15.934 165 HH TYR 21 HH TYR 21 -8.105 -16.520 -16.520 166 H VAL 22 HN VAL 22 0.263 -19.395 -19.395 167 HA VAL 22 HA VAL 22 0.984 -20.070 -20.070 168 HB VAL 22 HB VAL 22 2.456 -18.900 -18.900 169 1HG1 VAL 22 HG13 VAL 22 2.184 -20.670 -20.670 170 2HG1 VAL 22 HG12 VAL 22 3.075 -21.786 -21.786 171 3HG1 VAL 22 HG11 VAL 22 3.872 -20.352 -20.352 172 1HG2 VAL 22 HG23 VAL 22 3.451 -21.134 -21.134 173 2HG2 VAL 22 HG22 VAL 22 3.372 -19.411 -19.411 174 3HG2 VAL 22 HG21 VAL 22 4.535 -20.008 -20.008 175 H ALA 23 HN ALA 23 -0.125 -21.957 -21.957 176 HA ALA 23 HA ALA 23 1.205 -24.421 -24.421 177 1HB ALA 23 HB1 ALA 23 -0.490 -23.729 -23.729 178 2HB ALA 23 HB3 ALA 23 -1.701 -24.354 -24.354 179 3HB ALA 23 HB2 ALA 23 -0.416 -25.409 -25.409 180 H LYS 24 HN LYS 24 -1.224 -22.667 -22.667 181 HA LYS 24 HA LYS 24 -2.450 -24.727 -24.727 182 1HB LYS 24 HB2 LYS 24 -2.013 -21.795 -21.795 183 2HB LYS 24 HB1 LYS 24 -2.497 -22.731 -22.731 184 1HG LYS 24 HG2 LYS 24 -4.447 -21.793 -21.793 185 2HG LYS 24 HG1 LYS 24 -4.475 -23.554 -23.554 186 1HD LYS 24 HD2 LYS 24 -3.800 -23.795 -23.795 187 2HD LYS 24 HD1 LYS 24 -3.235 -22.127 -22.127 188 1HE LYS 24 HE2 LYS 24 -5.586 -21.347 -21.347 189 2HE LYS 24 HE1 LYS 24 -6.118 -23.028 -23.028 190 1HZ LYS 24 HZ2 LYS 24 -4.400 -22.294 -22.294 191 2HZ LYS 24 HZ1 LYS 24 -5.891 -21.480 -21.480 192 3HZ LYS 24 HZ3 LYS 24 -5.853 -23.176 -23.176 193 H GLY 25 HN GLY 25 -0.105 -22.500 -22.500 194 1HA GLY 25 HA2 GLY 25 1.618 -24.701 -24.701 195 2HA GLY 25 HA1 GLY 25 0.658 -24.059 -24.059 196 H GLU 26 HN GLU 26 3.129 -23.275 -23.275 197 HA GLU 26 HA GLU 26 4.496 -21.345 -21.345 198 1HB GLU 26 HB2 GLU 26 5.928 -21.285 -21.285 199 2HB GLU 26 HB1 GLU 26 6.020 -22.663 -22.663 200 1HG GLU 26 HG2 GLU 26 5.795 -23.556 -23.556 201 2HG GLU 26 HG1 GLU 26 4.229 -23.771 -23.771 202 H ASP 27 HN ASP 27 3.845 -19.323 -19.323 203 HA ASP 27 HA ASP 27 3.425 -17.801 -17.801 204 1HB ASP 27 HB2 ASP 27 1.388 -17.645 -17.645 205 2HB ASP 27 HB1 ASP 27 1.302 -16.879 -16.879 206 H VAL 28 HN VAL 28 5.618 -17.679 -17.679 207 HA VAL 28 HA VAL 28 5.186 -15.406 -15.406 208 HB VAL 28 HB VAL 28 7.377 -16.044 -16.044 209 1HG1 VAL 28 HG13 VAL 28 5.305 -17.109 -17.109 210 2HG1 VAL 28 HG12 VAL 28 5.477 -18.384 -18.384 211 3HG1 VAL 28 HG11 VAL 28 6.672 -18.219 -18.219 212 1HG2 VAL 28 HG21 VAL 28 7.839 -17.183 -17.183 213 2HG2 VAL 28 HG23 VAL 28 8.798 -17.493 -17.493 214 3HG2 VAL 28 HG22 VAL 28 7.499 -18.596 -18.596 215 H ASN 29 HN ASN 29 5.060 -14.225 -14.225 216 HA ASN 29 HA ASN 29 7.332 -12.540 -12.540 217 1HB ASN 29 HB2 ASN 29 7.958 -13.213 -13.213 218 2HB ASN 29 HB1 ASN 29 8.513 -14.296 -14.296 219 1HD2 ASN 29 HD21 ASN 29 6.973 -16.214 -16.214 220 2HD2 ASN 29 HD22 ASN 29 6.173 -16.884 -16.884 221 H ARG 30 HN ARG 30 4.320 -12.718 -12.718 222 HA ARG 30 HA ARG 30 3.751 -11.258 -11.258 223 1HB ARG 30 HB2 ARG 30 1.713 -12.388 -12.388 224 2HB ARG 30 HB1 ARG 30 1.480 -11.922 -11.922 225 1HG ARG 30 HG2 ARG 30 3.198 -13.732 -13.732 226 2HG ARG 30 HG1 ARG 30 3.000 -14.301 -14.301 227 1HD ARG 30 HD2 ARG 30 0.521 -14.420 -14.420 228 2HD ARG 30 HD1 ARG 30 0.840 -14.069 -14.069 229 HE ARG 30 HE ARG 30 1.035 -16.632 -16.632 230 1HH1 ARG 30 HH21 ARG 30 2.814 -14.575 -14.575 231 2HH1 ARG 30 HH22 ARG 30 3.769 -15.863 -15.863 232 1HH2 ARG 30 HH11 ARG 30 2.260 -18.314 -18.314 233 2HH2 ARG 30 HH12 ARG 30 3.452 -17.977 -17.977 234 H THR 31 HN THR 31 3.628 -9.104 -9.104 235 HA THR 31 HA THR 31 3.668 -7.641 -7.641 236 HB THR 31 HB THR 31 2.205 -6.222 -6.222 237 HG1 THR 31 HG1 THR 31 3.250 -6.793 -6.793 238 1HG2 THR 31 HG21 THR 31 4.106 -5.542 -5.542 239 2HG2 THR 31 HG23 THR 31 5.130 -5.804 -5.804 240 3HG2 THR 31 HG22 THR 31 3.825 -4.625 -4.625 241 H LEU 32 HN LEU 32 2.004 -7.791 -7.791 242 HA LEU 32 HA LEU 32 -0.632 -8.600 -8.600 243 1HB LEU 32 HB2 LEU 32 -1.369 -8.369 -8.369 244 2HB LEU 32 HB1 LEU 32 -0.160 -9.585 -9.585 245 HG LEU 32 HG LEU 32 0.358 -8.480 -8.480 246 1HD1 LEU 32 HD11 LEU 32 2.172 -8.891 -8.891 247 2HD1 LEU 32 HD13 LEU 32 2.457 -7.186 -7.186 248 3HD1 LEU 32 HD12 LEU 32 2.573 -8.383 -8.383 249 1HD2 LEU 32 HD23 LEU 32 -0.747 -6.213 -6.213 250 2HD2 LEU 32 HD22 LEU 32 0.211 -6.274 -6.274 251 3HD2 LEU 32 HD21 LEU 32 0.972 -5.814 -5.814 252 H GLU 33 HN GLU 33 0.486 -5.517 -5.517 253 HA GLU 33 HA GLU 33 -2.144 -4.395 -4.395 254 1HB GLU 33 HB2 GLU 33 -0.896 -3.857 -3.857 255 2HB GLU 33 HB1 GLU 33 0.117 -2.809 -2.809 256 1HG GLU 33 HG2 GLU 33 -1.654 -1.424 -1.424 257 2HG GLU 33 HG1 GLU 33 -2.017 -1.747 -1.747 258 H GLY 34 HN GLY 34 0.919 -2.607 -2.607 259 1HA GLY 34 HA2 GLY 34 0.498 -2.543 -2.543 260 2HA GLY 34 HA1 GLY 34 0.346 -1.016 -1.016 261 H GLY 35 HN GLY 35 2.484 -1.176 -1.176 262 1HA GLY 35 HA2 GLY 35 4.844 -1.579 -1.579 263 2HA GLY 35 HA1 GLY 35 4.653 -0.086 -0.086 264 H ARG 36 HN ARG 36 4.258 -3.517 -3.517 265 HA ARG 36 HA ARG 36 6.668 -3.487 -3.487 266 1HB ARG 36 HB2 ARG 36 5.047 -3.957 -3.957 267 2HB ARG 36 HB1 ARG 36 5.741 -2.379 -2.379 268 1HG ARG 36 HG2 ARG 36 3.312 -2.215 -2.215 269 2HG ARG 36 HG1 ARG 36 3.705 -1.748 -1.748 270 1HD ARG 36 HD2 ARG 36 3.149 -4.627 -4.627 271 2HD ARG 36 HD1 ARG 36 1.772 -3.545 -3.545 272 HE ARG 36 HE ARG 36 2.762 -2.637 -2.637 273 1HH1 ARG 36 HH21 ARG 36 2.221 -5.770 -5.770 274 2HH1 ARG 36 HH22 ARG 36 1.752 -6.455 -6.455 275 1HH2 ARG 36 HH11 ARG 36 2.153 -3.539 -3.539 276 2HH2 ARG 36 HH12 ARG 36 1.707 -5.211 -5.211 277 H LYS 37 HN LYS 37 7.051 -5.592 -5.592 278 HA LYS 37 HA LYS 37 5.384 -7.721 -7.721 279 1HB LYS 37 HB2 LYS 37 7.892 -8.666 -8.666 280 2HB LYS 37 HB1 LYS 37 7.351 -8.705 -8.705 281 1HG LYS 37 HG2 LYS 37 8.577 -6.282 -6.282 282 2HG LYS 37 HG1 LYS 37 9.453 -7.389 -7.389 283 1HD LYS 37 HD2 LYS 37 6.935 -6.290 -6.290 284 2HD LYS 37 HD1 LYS 37 8.240 -5.126 -5.126 285 1HE LYS 37 HE2 LYS 37 8.431 -7.730 -7.730 286 2HE LYS 37 HE1 LYS 37 8.390 -6.110 -6.110 287 1HZ LYS 37 HZ1 LYS 37 10.390 -6.281 -6.281 288 2HZ LYS 37 HZ3 LYS 37 10.615 -7.509 -7.509 289 3HZ LYS 37 HZ2 LYS 37 10.546 -5.886 -5.886 290 HA PRO 38 HA PRO 38 4.339 -9.400 -9.400 291 1HB PRO 38 HB2 PRO 38 4.922 -12.125 -12.125 292 2HB PRO 38 HB1 PRO 38 3.446 -11.333 -11.333 293 1HG PRO 38 HG2 PRO 38 5.700 -12.362 -12.362 294 2HG PRO 38 HG1 PRO 38 4.109 -11.830 -11.830 295 1HD PRO 38 HD2 PRO 38 6.608 -10.405 -10.405 296 2HD PRO 38 HD1 PRO 38 5.008 -9.866 -9.866 297 H LEU 39 HN LEU 39 7.266 -8.785 -8.785 298 HA LEU 39 HA LEU 39 8.539 -10.236 -10.236 299 1HB LEU 39 HB2 LEU 39 9.491 -10.746 -10.746 300 2HB LEU 39 HB1 LEU 39 9.882 -9.038 -9.038 301 HG LEU 39 HG LEU 39 11.604 -9.136 -9.136 302 1HD1 LEU 39 HD11 LEU 39 10.239 -11.566 -11.566 303 2HD1 LEU 39 HD13 LEU 39 11.827 -10.995 -10.995 304 3HD1 LEU 39 HD12 LEU 39 10.412 -9.975 -9.975 305 1HD2 LEU 39 HD23 LEU 39 11.921 -10.759 -10.759 306 2HD2 LEU 39 HD22 LEU 39 12.999 -10.957 -10.957 307 3HD2 LEU 39 HD21 LEU 39 11.628 -12.045 -12.045 308 H HIS 40 HN HIS 40 7.457 -7.362 -7.362 309 HA HIS 40 HA HIS 40 9.201 -5.472 -5.472 310 1HB HIS 40 HB2 HIS 40 7.983 -4.807 -4.807 311 2HB HIS 40 HB1 HIS 40 6.449 -5.208 -5.208 312 HD1 HIS 40 HD1 HIS 40 8.652 -2.420 -2.420 313 HD2 HIS 40 HD2 HIS 40 6.036 -3.513 -3.513 314 HE1 HIS 40 HE1 HIS 40 8.199 -0.321 -0.321 315 H TYR 41 HN TYR 41 5.889 -6.697 -6.697 316 HA TYR 41 HA TYR 41 5.534 -5.312 -5.312 317 1HB TYR 41 HB2 TYR 41 4.180 -7.895 -7.895 318 2HB TYR 41 HB1 TYR 41 3.562 -6.624 -6.624 319 HD1 TYR 41 HD1 TYR 41 4.401 -7.492 -7.492 320 HD2 TYR 41 HD2 TYR 41 2.465 -4.715 -4.715 321 HE1 TYR 41 HE1 TYR 41 3.319 -6.409 -6.409 322 HE2 TYR 41 HE2 TYR 41 1.387 -3.628 -3.628 323 HH TYR 41 HH TYR 41 0.766 -4.141 -4.141 324 H ALA 42 HN ALA 42 6.481 -8.585 -8.585 325 HA ALA 42 HA ALA 42 6.730 -9.671 -9.671 326 1HB ALA 42 HB1 ALA 42 6.800 -10.819 -10.819 327 2HB ALA 42 HB3 ALA 42 8.532 -10.514 -10.514 328 3HB ALA 42 HB2 ALA 42 7.736 -11.520 -11.520 329 H ALA 43 HN ALA 43 9.197 -8.361 -8.361 330 HA ALA 43 HA ALA 43 11.368 -8.546 -8.546 331 1HB ALA 43 HB2 ALA 43 10.840 -6.466 -6.466 332 2HB ALA 43 HB1 ALA 43 12.401 -6.736 -6.736 333 3HB ALA 43 HB3 ALA 43 11.684 -7.996 -7.996 334 H ASP 44 HN ASP 44 9.431 -5.660 -5.660 335 HA ASP 44 HA ASP 44 10.403 -3.986 -3.986 336 1HB ASP 44 HB2 ASP 44 8.867 -3.380 -3.380 337 2HB ASP 44 HB1 ASP 44 7.538 -4.017 -4.017 338 H CYS 45 HN CYS 45 7.749 -6.368 -6.368 339 HA CYS 45 HA CYS 45 8.074 -6.339 -6.339 340 1HB CYS 45 HB2 CYS 45 5.439 -5.530 -5.530 341 2HB CYS 45 HB1 CYS 45 5.757 -5.710 -5.710 342 HG CYS 45 HG CYS 45 7.136 -3.565 -3.565 343 H GLY 46 HN GLY 46 8.611 -8.536 -8.536 344 1HA GLY 46 HA2 GLY 46 6.089 -10.154 -10.154 345 2HA GLY 46 HA1 GLY 46 7.596 -10.563 -10.563 346 H GLN 47 HN GLN 47 7.562 -9.410 -9.410 347 HA GLN 47 HA GLN 47 8.432 -10.491 -10.491 348 1HB GLN 47 HB2 GLN 47 6.663 -12.572 -12.572 349 2HB GLN 47 HB1 GLN 47 7.556 -12.931 -12.931 350 1HG GLN 47 HG2 GLN 47 5.188 -12.051 -12.051 351 2HG GLN 47 HG1 GLN 47 6.446 -11.196 -11.196 352 1HE2 GLN 47 HE21 GLN 47 4.559 -11.020 -11.020 353 2HE2 GLN 47 HE22 GLN 47 4.628 -9.328 -9.328 354 H LEU 48 HN LEU 48 9.602 -10.724 -10.724 355 HA LEU 48 HA LEU 48 11.532 -11.522 -11.522 356 1HB LEU 48 HB2 LEU 48 12.071 -12.279 -12.279 357 2HB LEU 48 HB1 LEU 48 13.242 -12.485 -12.485 358 HG LEU 48 HG LEU 48 13.874 -10.358 -10.358 359 1HD1 LEU 48 HD11 LEU 48 12.313 -9.870 -9.870 360 2HD1 LEU 48 HD13 LEU 48 11.039 -9.547 -9.547 361 3HD1 LEU 48 HD12 LEU 48 12.457 -8.515 -8.515 362 1HD2 LEU 48 HD22 LEU 48 11.477 -10.157 -10.157 363 2HD2 LEU 48 HD21 LEU 48 13.161 -10.400 -10.400 364 3HD2 LEU 48 HD23 LEU 48 12.644 -8.852 -8.852 365 H GLU 49 HN GLU 49 9.227 -13.514 -13.514 366 HA GLU 49 HA GLU 49 10.636 -15.992 -15.992 367 1HB GLU 49 HB2 GLU 49 8.275 -16.974 -16.974 368 2HB GLU 49 HB1 GLU 49 9.313 -16.442 -16.442 369 1HG GLU 49 HG2 GLU 49 8.154 -14.336 -14.336 370 2HG GLU 49 HG1 GLU 49 7.225 -14.672 -14.672 371 H ILE 50 HN ILE 50 8.004 -13.890 -13.890 372 HA ILE 50 HA ILE 50 6.999 -15.480 -15.480 373 HB ILE 50 HB ILE 50 6.999 -12.477 -12.477 374 1HG1 ILE 50 HG12 ILE 50 5.749 -14.567 -14.567 375 2HG1 ILE 50 HG11 ILE 50 5.747 -12.829 -12.829 376 1HG2 ILE 50 HG21 ILE 50 6.348 -13.366 -13.366 377 2HG2 ILE 50 HG23 ILE 50 5.086 -14.319 -14.319 378 3HG2 ILE 50 HG22 ILE 50 5.016 -12.557 -12.557 379 1HD1 ILE 50 HD12 ILE 50 3.911 -14.202 -14.202 380 2HD1 ILE 50 HD11 ILE 50 3.458 -13.865 -13.865 381 3HD1 ILE 50 HD13 ILE 50 3.820 -12.536 -12.536 382 H LEU 51 HN LEU 51 9.378 -12.827 -12.827 383 HA LEU 51 HA LEU 51 9.677 -12.763 -12.763 384 1HB LEU 51 HB2 LEU 51 12.280 -12.395 -12.395 385 2HB LEU 51 HB1 LEU 51 11.075 -11.128 -11.128 386 HG LEU 51 HG LEU 51 12.289 -10.998 -10.998 387 1HD1 LEU 51 HD12 LEU 51 9.499 -11.099 -11.099 388 2HD1 LEU 51 HD11 LEU 51 9.912 -11.975 -11.975 389 3HD1 LEU 51 HD13 LEU 51 10.469 -10.323 -10.323 390 1HD2 LEU 51 HD22 LEU 51 12.697 -13.567 -13.567 391 2HD2 LEU 51 HD21 LEU 51 12.598 -12.744 -12.744 392 3HD2 LEU 51 HD23 LEU 51 11.210 -13.649 -13.649 393 H GLU 52 HN GLU 52 11.556 -14.801 -14.801 394 HA GLU 52 HA GLU 52 13.070 -16.171 -16.171 395 1HB GLU 52 HB2 GLU 52 11.973 -17.078 -17.078 396 2HB GLU 52 HB1 GLU 52 13.062 -18.065 -18.065 397 1HG GLU 52 HG2 GLU 52 14.537 -15.859 -15.859 398 2HG GLU 52 HG1 GLU 52 13.617 -15.502 -15.502 399 H PHE 53 HN PHE 53 9.731 -16.670 -16.670 400 HA PHE 53 HA PHE 53 9.354 -19.264 -19.264 401 1HB PHE 53 HB2 PHE 53 7.746 -18.221 -18.221 402 2HB PHE 53 HB1 PHE 53 7.364 -17.011 -17.011 403 HD1 PHE 53 HD1 PHE 53 7.692 -20.743 -20.743 404 HD2 PHE 53 HD2 PHE 53 5.433 -17.384 -17.384 405 HE1 PHE 53 HE1 PHE 53 6.051 -22.289 -22.289 406 HE2 PHE 53 HE2 PHE 53 3.790 -18.926 -18.926 407 HZ PHE 53 HZ PHE 53 4.100 -21.383 -21.383 408 H LEU 54 HN LEU 54 7.592 -16.599 -16.599 409 HA LEU 54 HA LEU 54 7.396 -17.873 -17.873 410 1HB LEU 54 HB2 LEU 54 6.653 -15.794 -15.794 411 2HB LEU 54 HB1 LEU 54 6.071 -15.907 -15.907 412 HG LEU 54 HG LEU 54 6.803 -13.714 -13.714 413 1HD1 LEU 54 HD13 LEU 54 7.945 -14.877 -14.877 414 2HD1 LEU 54 HD12 LEU 54 9.325 -15.181 -15.181 415 3HD1 LEU 54 HD11 LEU 54 8.896 -13.533 -13.533 416 1HD2 LEU 54 HD23 LEU 54 7.808 -14.031 -14.031 417 2HD2 LEU 54 HD22 LEU 54 8.584 -12.841 -12.841 418 3HD2 LEU 54 HD21 LEU 54 9.321 -14.423 -14.423 419 H LEU 55 HN LEU 55 10.249 -16.961 -16.961 420 HA LEU 55 HA LEU 55 11.530 -16.219 -16.219 421 1HB LEU 55 HB2 LEU 55 12.021 -15.107 -15.107 422 2HB LEU 55 HB1 LEU 55 12.971 -16.554 -16.554 423 HG LEU 55 HG LEU 55 13.335 -14.798 -14.798 424 1HD1 LEU 55 HD11 LEU 55 14.716 -14.822 -14.822 425 2HD1 LEU 55 HD13 LEU 55 15.478 -14.147 -14.147 426 3HD1 LEU 55 HD12 LEU 55 13.974 -13.457 -13.457 427 1HD2 LEU 55 HD22 LEU 55 14.621 -17.291 -17.291 428 2HD2 LEU 55 HD21 LEU 55 14.331 -16.783 -16.783 429 3HD2 LEU 55 HD23 LEU 55 15.670 -16.090 -16.090 430 H LEU 56 HN LEU 56 11.661 -18.768 -18.768 431 HA LEU 56 HA LEU 56 13.707 -20.267 -20.267 432 1HB LEU 56 HB2 LEU 56 12.721 -22.282 -22.282 433 2HB LEU 56 HB1 LEU 56 13.327 -20.949 -20.949 434 HG LEU 56 HG LEU 56 10.951 -20.066 -20.066 435 1HD1 LEU 56 HD11 LEU 56 10.557 -22.516 -22.516 436 2HD1 LEU 56 HD13 LEU 56 9.413 -22.307 -22.307 437 3HD1 LEU 56 HD12 LEU 56 9.569 -21.058 -21.058 438 1HD2 LEU 56 HD22 LEU 56 11.697 -22.719 -22.719 439 2HD2 LEU 56 HD21 LEU 56 11.819 -21.118 -21.118 440 3HD2 LEU 56 HD23 LEU 56 10.235 -21.844 -21.844 441 H LYS 57 HN LYS 57 10.334 -19.902 -19.902 442 HA LYS 57 HA LYS 57 10.096 -22.215 -22.215 443 1HB LYS 57 HB2 LYS 57 8.115 -21.083 -21.083 444 2HB LYS 57 HB1 LYS 57 8.457 -19.656 -19.656 445 1HG LYS 57 HG2 LYS 57 6.852 -20.725 -20.725 446 2HG LYS 57 HG1 LYS 57 8.341 -21.338 -21.338 447 1HD LYS 57 HD2 LYS 57 6.909 -23.238 -23.238 448 2HD LYS 57 HD1 LYS 57 8.158 -23.319 -23.319 449 1HE LYS 57 HE2 LYS 57 6.563 -23.315 -23.315 450 2HE LYS 57 HE1 LYS 57 6.013 -21.734 -21.734 451 1HZ LYS 57 HZ2 LYS 57 4.668 -22.858 -22.858 452 2HZ LYS 57 HZ1 LYS 57 5.150 -24.365 -24.365 453 3HZ LYS 57 HZ3 LYS 57 4.223 -23.312 -23.312 454 H GLY 58 HN GLY 58 9.154 -19.266 -19.266 455 1HA GLY 58 HA2 GLY 58 11.087 -19.631 -19.631 456 2HA GLY 58 HA1 GLY 58 9.939 -18.293 -18.293 457 H ALA 59 HN ALA 59 11.105 -16.361 -16.361 458 HA ALA 59 HA ALA 59 12.666 -15.751 -15.751 459 1HB ALA 59 HB1 ALA 59 14.256 -16.860 -16.860 460 2HB ALA 59 HB3 ALA 59 14.957 -15.623 -15.623 461 3HB ALA 59 HB2 ALA 59 14.431 -17.157 -17.157 462 H ASP 60 HN ASP 60 11.180 -13.957 -13.957 463 HA ASP 60 HA ASP 60 11.811 -12.193 -12.193 464 1HB ASP 60 HB2 ASP 60 9.534 -12.276 -12.276 465 2HB ASP 60 HB1 ASP 60 10.224 -11.619 -11.619 466 H ILE 61 HN ILE 61 13.505 -13.104 -13.104 467 HA ILE 61 HA ILE 61 14.393 -10.902 -10.902 468 HB ILE 61 HB ILE 61 15.023 -13.326 -13.326 469 1HG1 ILE 61 HG12 ILE 61 17.208 -11.227 -11.227 470 2HG1 ILE 61 HG11 ILE 61 16.271 -11.737 -11.737 471 1HG2 ILE 61 HG21 ILE 61 15.606 -13.479 -13.479 472 2HG2 ILE 61 HG23 ILE 61 17.164 -12.800 -12.800 473 3HG2 ILE 61 HG22 ILE 61 16.637 -14.342 -14.342 474 1HD1 ILE 61 HD11 ILE 61 17.319 -14.130 -14.130 475 2HD1 ILE 61 HD13 ILE 61 18.603 -13.047 -13.047 476 3HD1 ILE 61 HD12 ILE 61 18.103 -13.055 -13.055 477 H ASN 62 HN ASN 62 14.922 -11.605 -11.605 478 HA ASN 62 HA ASN 62 16.651 -9.196 -9.196 479 1HB ASN 62 HB2 ASN 62 18.137 -10.388 -10.388 480 2HB ASN 62 HB1 ASN 62 18.144 -11.155 -11.155 481 1HD2 ASN 62 HD21 ASN 62 15.578 -12.499 -12.499 482 2HD2 ASN 62 HD22 ASN 62 15.737 -13.721 -13.721 483 H ALA 63 HN ALA 63 14.698 -11.594 -11.594 484 HA ALA 63 HA ALA 63 14.354 -11.016 -11.016 485 1HB ALA 63 HB1 ALA 63 12.725 -12.215 -12.215 486 2HB ALA 63 HB3 ALA 63 11.843 -10.693 -10.693 487 3HB ALA 63 HB2 ALA 63 12.112 -11.624 -11.624 488 HA PRO 64 HA PRO 64 11.700 -6.820 -6.820 489 1HB PRO 64 HB2 PRO 64 14.274 -5.968 -5.968 490 2HB PRO 64 HB1 PRO 64 12.609 -5.536 -5.536 491 1HG PRO 64 HG2 PRO 64 14.163 -7.579 -7.579 492 2HG PRO 64 HG1 PRO 64 12.422 -7.342 -7.342 493 1HD PRO 64 HD2 PRO 64 13.636 -9.567 -9.567 494 2HD PRO 64 HD1 PRO 64 11.922 -9.123 -9.123 495 H ASP 65 HN ASP 65 11.633 -5.442 -5.442 496 HA ASP 65 HA ASP 65 14.058 -4.666 -4.666 497 1HB ASP 65 HB2 ASP 65 11.602 -6.083 -6.083 498 2HB ASP 65 HB1 ASP 65 12.536 -5.024 -5.024 499 H LYS 66 HN LYS 66 10.641 -4.286 -4.286 500 HA LYS 66 HA LYS 66 10.409 -1.663 -1.663 501 1HB LYS 66 HB2 LYS 66 8.574 -3.458 -3.458 502 2HB LYS 66 HB1 LYS 66 8.484 -2.854 -2.854 503 1HG LYS 66 HG2 LYS 66 8.314 -1.024 -1.024 504 2HG LYS 66 HG1 LYS 66 6.904 -1.794 -1.794 505 1HD LYS 66 HD2 LYS 66 7.984 -0.775 -0.775 506 2HD LYS 66 HD1 LYS 66 8.608 0.391 0.391 507 1HE LYS 66 HE2 LYS 66 6.527 1.282 1.282 508 2HE LYS 66 HE1 LYS 66 6.206 0.580 0.580 509 1HZ LYS 66 HZ1 LYS 66 5.899 -1.401 -1.401 510 2HZ LYS 66 HZ3 LYS 66 4.990 -0.043 -0.043 511 3HZ LYS 66 HZ2 LYS 66 4.729 -0.768 -0.768 512 H HIS 67 HN HIS 67 10.773 -2.974 -2.974 513 HA HIS 67 HA HIS 67 10.504 -0.380 -0.380 514 1HB HIS 67 HB2 HIS 67 10.520 -3.084 -3.084 515 2HB HIS 67 HB1 HIS 67 11.965 -2.389 -2.389 516 HD1 HIS 67 HD1 HIS 67 9.276 -3.229 -3.229 517 HD2 HIS 67 HD2 HIS 67 10.422 0.653 0.653 518 HE1 HIS 67 HE1 HIS 67 8.019 -1.692 -1.692 519 H HIS 68 HN HIS 68 12.851 -1.778 -1.778 520 HA HIS 68 HA HIS 68 15.175 -1.435 -1.435 521 1HB HIS 68 HB2 HIS 68 14.270 0.829 0.829 522 2HB HIS 68 HB1 HIS 68 14.381 1.257 1.257 523 HD1 HIS 68 HD1 HIS 68 17.151 -0.895 -0.895 524 HD2 HIS 68 HD2 HIS 68 16.379 3.202 3.202 525 HE1 HIS 68 HE1 HIS 68 19.386 0.262 0.262 526 H ILE 69 HN ILE 69 14.024 -2.358 -2.358 527 HA ILE 69 HA ILE 69 16.518 -1.873 -1.873 528 HB ILE 69 HB ILE 69 14.165 -0.455 -0.455 529 1HG1 ILE 69 HG12 ILE 69 16.499 0.179 0.179 530 2HG1 ILE 69 HG11 ILE 69 15.431 0.349 0.349 531 1HG2 ILE 69 HG23 ILE 69 13.181 -2.497 -2.497 532 2HG2 ILE 69 HG22 ILE 69 14.557 -2.635 -2.635 533 3HG2 ILE 69 HG21 ILE 69 13.463 -1.262 -1.262 534 1HD1 ILE 69 HD13 ILE 69 16.205 -2.114 -2.114 535 2HD1 ILE 69 HD12 ILE 69 17.558 -1.701 -1.701 536 3HD1 ILE 69 HD11 ILE 69 17.252 -0.761 -0.761 537 H THR 70 HN THR 70 16.791 -3.262 -3.262 538 HA THR 70 HA THR 70 15.517 -5.915 -5.915 539 HB THR 70 HB THR 70 17.634 -6.747 -6.747 540 HG1 THR 70 HG1 THR 70 18.819 -4.604 -4.604 541 1HG2 THR 70 HG21 THR 70 17.706 -5.010 -5.010 542 2HG2 THR 70 HG23 THR 70 18.492 -3.945 -3.945 543 3HG2 THR 70 HG22 THR 70 19.245 -5.478 -5.478 544 HA PRO 71 HA PRO 71 13.359 -4.986 -4.986 545 1HB PRO 71 HB2 PRO 71 13.373 -7.815 -7.815 546 2HB PRO 71 HB1 PRO 71 12.012 -6.775 -6.775 547 1HG PRO 71 HG2 PRO 71 13.050 -8.802 -8.802 548 2HG PRO 71 HG1 PRO 71 12.077 -7.446 -7.446 549 1HD PRO 71 HD2 PRO 71 15.005 -7.888 -7.888 550 2HD PRO 71 HD1 PRO 71 13.930 -6.868 -6.868 551 H LEU 72 HN LEU 72 16.414 -6.757 -6.757 552 HA LEU 72 HA LEU 72 16.652 -7.031 -7.031 553 1HB LEU 72 HB2 LEU 72 19.096 -6.108 -6.108 554 2HB LEU 72 HB1 LEU 72 18.911 -7.390 -7.390 555 HG LEU 72 HG LEU 72 19.294 -8.657 -8.657 556 1HD1 LEU 72 HD12 LEU 72 16.732 -8.816 -8.816 557 2HD1 LEU 72 HD11 LEU 72 16.459 -8.430 -8.430 558 3HD1 LEU 72 HD13 LEU 72 17.404 -9.845 -9.845 559 1HD2 LEU 72 HD21 LEU 72 19.289 -6.475 -6.475 560 2HD2 LEU 72 HD23 LEU 72 18.954 -7.997 -7.997 561 3HD2 LEU 72 HD22 LEU 72 17.632 -6.923 -6.923 562 H LEU 73 HN LEU 73 17.233 -4.216 -4.216 563 HA LEU 73 HA LEU 73 18.167 -2.570 -2.570 564 1HB LEU 73 HB2 LEU 73 16.955 -1.741 -1.741 565 2HB LEU 73 HB1 LEU 73 17.819 -0.677 -0.677 566 HG LEU 73 HG LEU 73 19.740 -2.459 -2.459 567 1HD1 LEU 73 HD13 LEU 73 17.913 -3.128 -3.128 568 2HD1 LEU 73 HD12 LEU 73 19.654 -3.185 -3.185 569 3HD1 LEU 73 HD11 LEU 73 18.928 -4.188 -4.188 570 1HD2 LEU 73 HD22 LEU 73 18.992 -0.356 -0.356 571 2HD2 LEU 73 HD21 LEU 73 20.174 -0.246 -0.246 572 3HD2 LEU 73 HD23 LEU 73 20.506 -1.239 -1.239 573 H SER 74 HN SER 74 15.053 -3.607 -3.607 574 HA SER 74 HA SER 74 13.429 -1.520 -1.520 575 1HB SER 74 HB2 SER 74 12.636 -3.483 -3.483 576 2HB SER 74 HB1 SER 74 12.778 -4.474 -4.474 577 HG SER 74 HG SER 74 10.785 -2.883 -2.883 578 H ALA 75 HN ALA 75 14.675 -4.441 -4.441 579 HA ALA 75 HA ALA 75 13.550 -3.787 -3.787 580 1HB ALA 75 HB1 ALA 75 15.735 -5.666 -5.666 581 2HB ALA 75 HB3 ALA 75 15.294 -5.487 -5.487 582 3HB ALA 75 HB2 ALA 75 14.106 -6.078 -6.078 583 H VAL 76 HN VAL 76 16.617 -3.183 -3.183 584 HA VAL 76 HA VAL 76 18.259 -2.327 -2.327 585 HB VAL 76 HB VAL 76 17.795 -1.213 -1.213 586 1HG1 VAL 76 HG12 VAL 76 18.974 0.321 0.321 587 2HG1 VAL 76 HG11 VAL 76 20.337 -0.420 -0.420 588 3HG1 VAL 76 HG13 VAL 76 19.175 0.540 0.540 589 1HG2 VAL 76 HG23 VAL 76 20.001 -2.838 -2.838 590 2HG2 VAL 76 HG22 VAL 76 18.792 -3.432 -3.432 591 3HG2 VAL 76 HG21 VAL 76 20.014 -2.285 -2.285 592 H TYR 77 HN TYR 77 16.099 0.004 0.004 593 HA TYR 77 HA TYR 77 16.295 1.892 1.892 594 1HB TYR 77 HB2 TYR 77 14.056 2.151 2.151 595 2HB TYR 77 HB1 TYR 77 15.191 3.370 3.370 596 HD1 TYR 77 HD2 TYR 77 17.380 3.649 3.649 597 HD2 TYR 77 HD1 TYR 77 14.606 0.684 0.684 598 HE1 TYR 77 HE2 TYR 77 18.703 3.387 3.387 599 HE2 TYR 77 HE1 TYR 77 15.925 0.421 0.421 600 HH TYR 77 HH TYR 77 18.412 2.623 2.623 601 H GLU 78 HN GLU 78 15.475 -0.503 -0.503 602 HA GLU 78 HA GLU 78 12.628 0.095 0.095 603 1HB GLU 78 HB2 GLU 78 13.048 -1.904 -1.904 604 2HB GLU 78 HB1 GLU 78 13.628 -2.743 -2.743 605 1HG GLU 78 HG2 GLU 78 11.328 -3.263 -3.263 606 2HG GLU 78 HG1 GLU 78 11.443 -1.964 -1.964 607 H GLY 79 HN GLY 79 15.760 -1.165 -1.165 608 1HA GLY 79 HA2 GLY 79 16.622 -1.079 -1.079 609 2HA GLY 79 HA1 GLY 79 14.991 -0.730 -0.730 610 H HIS 80 HN HIS 80 14.574 -3.103 -3.103 611 HA HIS 80 HA HIS 80 14.244 -5.149 -5.149 612 1HB HIS 80 HB2 HIS 80 13.637 -4.873 -4.873 613 2HB HIS 80 HB1 HIS 80 13.783 -6.507 -6.507 614 HD1 HIS 80 HD1 HIS 80 11.515 -7.358 -7.358 615 HD2 HIS 80 HD2 HIS 80 11.895 -3.302 -3.302 616 HE1 HIS 80 HE1 HIS 80 9.310 -6.639 -6.639 617 H VAL 81 HN VAL 81 16.113 -4.863 -4.863 618 HA VAL 81 HA VAL 81 17.979 -6.134 -6.134 619 HB VAL 81 HB VAL 81 19.870 -5.744 -5.744 620 1HG1 VAL 81 HG12 VAL 81 19.637 -4.573 -4.573 621 2HG1 VAL 81 HG11 VAL 81 18.453 -3.484 -3.484 622 3HG1 VAL 81 HG13 VAL 81 20.125 -3.465 -3.465 623 1HG2 VAL 81 HG22 VAL 81 18.261 -5.154 -5.154 624 2HG2 VAL 81 HG21 VAL 81 19.325 -3.804 -3.804 625 3HG2 VAL 81 HG23 VAL 81 17.667 -3.812 -3.812 626 H SER 82 HN SER 82 16.051 -7.509 -7.509 627 HA SER 82 HA SER 82 17.878 -9.614 -9.614 628 1HB SER 82 HB2 SER 82 14.961 -8.983 -8.983 629 2HB SER 82 HB1 SER 82 15.441 -10.670 -10.670 630 HG SER 82 HG SER 82 16.455 -8.450 -8.450 631 H CYS 83 HN CYS 83 15.916 -8.778 -8.778 632 HA CYS 83 HA CYS 83 15.759 -11.479 -11.479 633 1HB CYS 83 HB2 CYS 83 15.041 -9.882 -9.882 634 2HB CYS 83 HB1 CYS 83 13.931 -10.269 -10.269 635 HG CYS 83 HG CYS 83 14.809 -7.521 -7.521 636 H VAL 84 HN VAL 84 17.401 -8.391 -8.391 637 HA VAL 84 HA VAL 84 18.912 -9.120 -9.120 638 HB VAL 84 HB VAL 84 20.661 -7.596 -7.596 639 1HG1 VAL 84 HG12 VAL 84 17.861 -6.713 -6.713 640 2HG1 VAL 84 HG11 VAL 84 19.230 -5.618 -5.618 641 3HG1 VAL 84 HG13 VAL 84 18.647 -6.524 -6.524 642 1HG2 VAL 84 HG23 VAL 84 19.302 -8.108 -8.108 643 2HG2 VAL 84 HG22 VAL 84 21.017 -8.194 -8.194 644 3HG2 VAL 84 HG21 VAL 84 20.219 -6.628 -6.628 645 H LYS 85 HN LYS 85 19.406 -9.994 -9.994 646 HA LYS 85 HA LYS 85 21.915 -11.232 -11.232 647 1HB LYS 85 HB2 LYS 85 19.463 -11.927 -11.927 648 2HB LYS 85 HB1 LYS 85 21.069 -12.564 -12.564 649 1HG LYS 85 HG2 LYS 85 21.084 -9.652 -9.652 650 2HG LYS 85 HG1 LYS 85 20.047 -10.184 -10.184 651 1HD LYS 85 HD2 LYS 85 22.279 -9.849 -9.849 652 2HD LYS 85 HD1 LYS 85 21.959 -11.583 -11.583 653 1HE LYS 85 HE2 LYS 85 23.245 -11.861 -11.861 654 2HE LYS 85 HE1 LYS 85 23.399 -10.114 -10.114 655 1HZ LYS 85 HZ3 LYS 85 24.365 -11.397 -11.397 656 2HZ LYS 85 HZ2 LYS 85 25.320 -11.449 -11.449 657 3HZ LYS 85 HZ1 LYS 85 24.877 -9.954 -9.954 658 H LEU 86 HN LEU 86 19.122 -13.369 -13.369 659 HA LEU 86 HA LEU 86 20.363 -15.500 -15.500 660 1HB LEU 86 HB2 LEU 86 18.143 -16.600 -16.600 661 2HB LEU 86 HB1 LEU 86 18.586 -15.971 -15.971 662 HG LEU 86 HG LEU 86 16.224 -15.536 -15.536 663 1HD1 LEU 86 HD13 LEU 86 17.801 -13.940 -13.940 664 2HD1 LEU 86 HD12 LEU 86 17.526 -12.848 -12.848 665 3HD1 LEU 86 HD11 LEU 86 16.165 -13.437 -13.437 666 1HD2 LEU 86 HD22 LEU 86 16.806 -15.190 -15.190 667 2HD2 LEU 86 HD21 LEU 86 15.536 -14.201 -14.201 668 3HD2 LEU 86 HD23 LEU 86 17.139 -13.523 -13.523 669 H LEU 87 HN LEU 87 19.499 -12.707 -12.707 670 HA LEU 87 HA LEU 87 18.108 -13.744 -13.744 671 1HB LEU 87 HB2 LEU 87 18.815 -11.171 -11.171 672 2HB LEU 87 HB1 LEU 87 19.492 -11.295 -11.295 673 HG LEU 87 HG LEU 87 16.629 -12.037 -12.037 674 1HD1 LEU 87 HD12 LEU 87 17.781 -9.388 -9.388 675 2HD1 LEU 87 HD11 LEU 87 16.066 -9.798 -9.798 676 3HD1 LEU 87 HD13 LEU 87 16.887 -9.692 -9.692 677 1HD2 LEU 87 HD23 LEU 87 18.121 -11.356 -11.356 678 2HD2 LEU 87 HD22 LEU 87 17.554 -12.958 -12.958 679 3HD2 LEU 87 HD21 LEU 87 16.392 -11.686 -11.686 680 H LEU 88 HN LEU 88 21.365 -12.200 -12.200 681 HA LEU 88 HA LEU 88 22.136 -13.296 -13.296 682 1HB LEU 88 HB2 LEU 88 24.410 -12.835 -12.835 683 2HB LEU 88 HB1 LEU 88 23.455 -11.552 -11.552 684 HG LEU 88 HG LEU 88 25.072 -12.148 -12.148 685 1HD1 LEU 88 HD12 LEU 88 22.665 -11.980 -11.980 686 2HD1 LEU 88 HD11 LEU 88 22.639 -13.742 -13.742 687 3HD1 LEU 88 HD13 LEU 88 23.744 -12.855 -12.855 688 1HD2 LEU 88 HD21 LEU 88 25.201 -14.590 -14.590 689 2HD2 LEU 88 HD23 LEU 88 25.960 -14.219 -14.219 690 3HD2 LEU 88 HD22 LEU 88 24.388 -15.011 -15.011 691 H SER 89 HN SER 89 21.509 -14.925 -14.925 692 HA SER 89 HA SER 89 23.296 -17.122 -17.122 693 1HB SER 89 HB2 SER 89 21.385 -16.593 -16.593 694 2HB SER 89 HB1 SER 89 20.393 -17.567 -17.567 695 HG SER 89 HG SER 89 22.261 -18.337 -18.337 696 H LYS 90 HN LYS 90 20.720 -16.062 -16.062 697 HA LYS 90 HA LYS 90 20.679 -18.633 -18.633 698 1HB LYS 90 HB2 LYS 90 18.818 -16.254 -16.254 699 2HB LYS 90 HB1 LYS 90 18.707 -17.433 -17.433 700 1HG LYS 90 HG2 LYS 90 17.299 -18.492 -18.492 701 2HG LYS 90 HG1 LYS 90 18.777 -19.104 -19.104 702 1HD LYS 90 HD2 LYS 90 17.658 -18.243 -18.243 703 2HD LYS 90 HD1 LYS 90 18.679 -16.880 -16.880 704 1HE LYS 90 HE2 LYS 90 16.644 -16.169 -16.169 705 2HE LYS 90 HE1 LYS 90 15.724 -17.253 -17.253 706 1HZ LYS 90 HZ2 LYS 90 17.509 -15.472 -15.472 707 2HZ LYS 90 HZ1 LYS 90 16.265 -14.681 -14.681 708 3HZ LYS 90 HZ3 LYS 90 15.885 -15.856 -15.856 709 H GLY 91 HN GLY 91 21.782 -15.376 -15.376 710 1HA GLY 91 HA2 GLY 91 23.624 -15.286 -15.286 711 2HA GLY 91 HA1 GLY 91 22.231 -15.484 -15.484 712 H ALA 92 HN ALA 92 20.848 -13.735 -13.735 713 HA ALA 92 HA ALA 92 20.449 -11.420 -11.420 714 1HB ALA 92 HB1 ALA 92 20.166 -12.203 -12.203 715 2HB ALA 92 HB3 ALA 92 20.633 -10.509 -10.509 716 3HB ALA 92 HB2 ALA 92 19.182 -11.084 -11.084 717 H ASP 93 HN ASP 93 23.478 -12.357 -12.357 718 HA ASP 93 HA ASP 93 25.541 -11.221 -11.221 719 1HB ASP 93 HB2 ASP 93 23.733 -9.555 -9.555 720 2HB ASP 93 HB1 ASP 93 25.263 -8.858 -8.858 721 H LYS 94 HN LYS 94 23.909 -8.196 -8.196 722 HA LYS 94 HA LYS 94 23.474 -7.902 -7.902 723 1HB LYS 94 HB2 LYS 94 25.171 -5.944 -5.944 724 2HB LYS 94 HB1 LYS 94 25.807 -7.580 -7.580 725 1HG LYS 94 HG2 LYS 94 26.727 -7.547 -7.547 726 2HG LYS 94 HG1 LYS 94 25.618 -6.305 -6.305 727 1HD LYS 94 HD2 LYS 94 27.535 -5.613 -5.613 728 2HD LYS 94 HD1 LYS 94 28.124 -5.683 -5.683 729 1HE LYS 94 HE2 LYS 94 26.491 -4.044 -4.044 730 2HE LYS 94 HE1 LYS 94 25.713 -4.064 -4.064 731 1HZ LYS 94 HZ1 LYS 94 28.544 -3.518 -3.518 732 2HZ LYS 94 HZ3 LYS 94 27.630 -2.338 -2.338 733 3HZ LYS 94 HZ2 LYS 94 27.265 -2.741 -2.741 734 H THR 95 HN THR 95 24.098 -6.428 -6.428 735 HA THR 95 HA THR 95 21.553 -4.998 -4.998 736 HB THR 95 HB THR 95 24.231 -3.656 -3.656 737 HG1 THR 95 HG1 THR 95 22.533 -3.737 -3.737 738 1HG2 THR 95 HG21 THR 95 22.084 -2.880 -2.880 739 2HG2 THR 95 HG23 THR 95 22.819 -1.592 -1.592 740 3HG2 THR 95 HG22 THR 95 23.823 -2.602 -2.602 741 H VAL 96 HN VAL 96 21.651 -6.927 -6.927 742 HA VAL 96 HA VAL 96 23.423 -6.889 -6.889 743 HB VAL 96 HB VAL 96 21.801 -8.742 -8.742 744 1HG1 VAL 96 HG12 VAL 96 19.847 -7.694 -7.694 745 2HG1 VAL 96 HG11 VAL 96 20.601 -8.362 -8.362 746 3HG1 VAL 96 HG13 VAL 96 20.065 -9.436 -9.436 747 1HG2 VAL 96 HG22 VAL 96 22.991 -8.830 -8.830 748 2HG2 VAL 96 HG21 VAL 96 23.834 -9.201 -9.201 749 3HG2 VAL 96 HG23 VAL 96 22.521 -10.239 -10.239 750 H LYS 97 HN LYS 97 21.099 -4.627 -4.627 751 HA LYS 97 HA LYS 97 21.034 -4.020 -4.020 752 1HB LYS 97 HB2 LYS 97 18.948 -5.691 -5.691 753 2HB LYS 97 HB1 LYS 97 18.240 -4.137 -4.137 754 1HG LYS 97 HG2 LYS 97 19.471 -4.296 -4.296 755 2HG LYS 97 HG1 LYS 97 19.914 -5.945 -5.945 756 1HD LYS 97 HD2 LYS 97 17.072 -4.901 -4.901 757 2HD LYS 97 HD1 LYS 97 17.879 -5.882 -5.882 758 1HE LYS 97 HE2 LYS 97 18.319 -7.502 -7.502 759 2HE LYS 97 HE1 LYS 97 16.914 -6.671 -6.671 760 1HZ LYS 97 HZ2 LYS 97 16.033 -7.140 -7.140 761 2HZ LYS 97 HZ1 LYS 97 17.102 -8.452 -8.452 762 3HZ LYS 97 HZ3 LYS 97 15.847 -8.259 -8.259 763 H GLY 98 HN GLY 98 21.205 -2.857 -2.857 764 1HA GLY 98 HA2 GLY 98 19.265 -0.702 -0.702 765 2HA GLY 98 HA1 GLY 98 20.730 -0.752 -0.752 766 HA PRO 99 HA PRO 99 21.059 2.435 2.435 767 1HB PRO 99 HB2 PRO 99 22.254 4.099 4.099 768 2HB PRO 99 HB1 PRO 99 20.836 4.435 4.435 769 1HG PRO 99 HG2 PRO 99 20.879 3.678 3.678 770 2HG PRO 99 HG1 PRO 99 19.460 3.989 3.989 771 1HD PRO 99 HD2 PRO 99 20.333 1.454 1.454 772 2HD PRO 99 HD1 PRO 99 19.002 1.751 1.751 773 H ASP 100 HN ASP 100 23.359 2.768 2.768 774 HA ASP 100 HA ASP 100 25.357 1.126 1.126 775 1HB ASP 100 HB2 ASP 100 25.531 3.448 3.448 776 2HB ASP 100 HB1 ASP 100 25.914 4.033 4.033 777 H GLY 101 HN GLY 101 26.975 3.231 3.231 778 1HA GLY 101 HA2 GLY 101 27.467 1.290 1.290 779 2HA GLY 101 HA1 GLY 101 27.953 2.980 2.980 780 H LEU 102 HN LEU 102 24.684 3.003 3.003 781 HA LEU 102 HA LEU 102 24.011 4.113 4.113 782 1HB LEU 102 HB2 LEU 102 22.499 4.096 4.096 783 2HB LEU 102 HB1 LEU 102 22.143 2.400 2.400 784 HG LEU 102 HG LEU 102 21.554 4.756 4.756 785 1HD1 LEU 102 HD13 LEU 102 19.841 2.917 2.917 786 2HD1 LEU 102 HD12 LEU 102 19.174 3.862 3.862 787 3HD1 LEU 102 HD11 LEU 102 19.913 4.678 4.678 788 1HD2 LEU 102 HD21 LEU 102 21.341 1.784 1.784 789 2HD2 LEU 102 HD23 LEU 102 21.994 3.019 3.019 790 3HD2 LEU 102 HD22 LEU 102 20.260 2.898 2.898 791 H THR 103 HN THR 103 23.061 0.819 0.819 792 HA THR 103 HA THR 103 22.330 -0.816 -0.816 793 HB THR 103 HB THR 103 24.363 -1.689 -1.689 794 HG1 THR 103 HG1 THR 103 23.748 -1.893 -1.893 795 1HG2 THR 103 HG22 THR 103 25.599 0.514 0.514 796 2HG2 THR 103 HG21 THR 103 26.547 -0.933 -0.933 797 3HG2 THR 103 HG23 THR 103 25.920 0.033 0.033 798 H ALA 104 HN ALA 104 24.965 -0.461 -0.461 799 HA ALA 104 HA ALA 104 23.175 0.578 0.578 800 1HB ALA 104 HB2 ALA 104 24.514 -1.512 -1.512 801 2HB ALA 104 HB1 ALA 104 25.968 -0.518 -0.518 802 3HB ALA 104 HB3 ALA 104 24.790 -0.264 -0.264 803 H LEU 105 HN LEU 105 25.988 1.592 1.592 804 HA LEU 105 HA LEU 105 27.144 3.468 3.468 805 1HB LEU 105 HB2 LEU 105 26.806 3.922 3.922 806 2HB LEU 105 HB1 LEU 105 28.123 4.452 4.452 807 HG LEU 105 HG LEU 105 27.479 1.608 1.608 808 1HD1 LEU 105 HD13 LEU 105 28.665 2.968 2.968 809 2HD1 LEU 105 HD12 LEU 105 29.900 3.360 3.360 810 3HD1 LEU 105 HD11 LEU 105 29.703 1.696 1.696 811 1HD2 LEU 105 HD22 LEU 105 29.435 2.725 2.725 812 2HD2 LEU 105 HD21 LEU 105 28.217 1.474 1.474 813 3HD2 LEU 105 HD23 LEU 105 29.642 1.134 1.134 814 H GLU 106 HN GLU 106 24.959 4.460 4.460 815 HA GLU 106 HA GLU 106 24.495 6.992 6.992 816 1HB GLU 106 HB2 GLU 106 23.092 5.767 5.767 817 2HB GLU 106 HB1 GLU 106 23.075 7.468 7.468 818 1HG GLU 106 HG2 GLU 106 25.670 6.016 6.016 819 2HG GLU 106 HG1 GLU 106 24.744 6.726 6.726 820 H ALA 107 HN ALA 107 23.182 3.955 3.955 821 HA ALA 107 HA ALA 107 20.431 4.797 4.797 822 1HB ALA 107 HB1 ALA 107 21.886 2.277 2.277 823 2HB ALA 107 HB3 ALA 107 20.163 2.541 2.541 824 3HB ALA 107 HB2 ALA 107 20.834 2.496 2.496 825 H THR 108 HN THR 108 23.111 3.965 3.965 826 HA THR 108 HA THR 108 21.801 5.706 5.706 827 HB THR 108 HB THR 108 20.664 3.514 3.514 828 HG1 THR 108 HG1 THR 108 21.380 3.169 3.169 829 1HG2 THR 108 HG22 THR 108 22.961 2.396 2.396 830 2HG2 THR 108 HG21 THR 108 23.218 2.304 2.304 831 3HG2 THR 108 HG23 THR 108 21.814 1.522 1.522 832 H ASP 109 HN ASP 109 23.010 4.665 4.665 833 HA ASP 109 HA ASP 109 25.910 4.601 4.601 834 1HB ASP 109 HB2 ASP 109 25.416 6.991 6.991 835 2HB ASP 109 HB1 ASP 109 24.557 6.596 6.596 836 H ASN 110 HN ASN 110 23.235 3.270 3.270 837 HA ASN 110 HA ASN 110 24.165 2.638 2.638 838 1HB ASN 110 HB2 ASN 110 22.307 0.861 0.861 839 2HB ASN 110 HB1 ASN 110 21.802 2.540 2.540 840 1HD2 ASN 110 HD21 ASN 110 23.324 0.443 0.443 841 2HD2 ASN 110 HD22 ASN 110 22.083 0.598 0.598 842 H GLN 111 HN GLN 111 25.374 0.853 0.853 843 HA GLN 111 HA GLN 111 26.911 -0.426 -0.426 844 1HB GLN 111 HB2 GLN 111 27.991 0.026 0.026 845 2HB GLN 111 HB1 GLN 111 26.734 -0.777 -0.777 846 1HG GLN 111 HG2 GLN 111 27.459 -2.923 -2.923 847 2HG GLN 111 HG1 GLN 111 28.357 -2.309 -2.309 848 1HE2 GLN 111 HE21 GLN 111 28.492 -0.716 -0.716 849 2HE2 GLN 111 HE22 GLN 111 30.101 -1.126 -1.126 850 H ALA 112 HN ALA 112 23.780 -1.156 -1.156 851 HA ALA 112 HA ALA 112 24.091 -4.065 -4.065 852 1HB ALA 112 HB1 ALA 112 22.192 -2.723 -2.723 853 2HB ALA 112 HB3 ALA 112 21.512 -2.600 -2.600 854 3HB ALA 112 HB2 ALA 112 21.736 -4.183 -4.183 855 H ILE 113 HN ILE 113 22.747 -1.702 -1.702 856 HA ILE 113 HA ILE 113 22.352 -3.583 -3.583 857 HB ILE 113 HB ILE 113 22.678 -0.574 -0.574 858 1HG1 ILE 113 HG12 ILE 113 20.308 -0.848 -0.848 859 2HG1 ILE 113 HG11 ILE 113 20.382 -2.477 -2.477 860 1HG2 ILE 113 HG21 ILE 113 23.572 -1.768 -1.768 861 2HG2 ILE 113 HG23 ILE 113 21.874 -2.013 -2.013 862 3HG2 ILE 113 HG22 ILE 113 22.505 -0.381 -0.381 863 1HD1 ILE 113 HD13 ILE 113 21.081 -1.233 -1.233 864 2HD1 ILE 113 HD12 ILE 113 20.322 0.156 0.156 865 3HD1 ILE 113 HD11 ILE 113 19.383 -1.302 -1.302 866 H LYS 114 HN LYS 114 24.864 -1.221 -1.221 867 HA LYS 114 HA LYS 114 26.557 -1.659 -1.659 868 1HB LYS 114 HB2 LYS 114 27.442 -1.254 -1.254 869 2HB LYS 114 HB1 LYS 114 28.359 -0.838 -0.838 870 1HG LYS 114 HG2 LYS 114 25.622 0.342 0.342 871 2HG LYS 114 HG1 LYS 114 27.074 1.070 1.070 872 1HD LYS 114 HD2 LYS 114 28.025 1.046 1.046 873 2HD LYS 114 HD1 LYS 114 26.380 0.700 0.700 874 1HE LYS 114 HE2 LYS 114 26.603 3.077 3.077 875 2HE LYS 114 HE1 LYS 114 25.660 2.747 2.747 876 1HZ LYS 114 HZ3 LYS 114 28.599 3.153 3.153 877 2HZ LYS 114 HZ2 LYS 114 27.467 4.344 4.344 878 3HZ LYS 114 HZ1 LYS 114 27.637 2.946 2.946 879 H ALA 115 HN ALA 115 25.587 -3.824 -3.824 880 HA ALA 115 HA ALA 115 27.857 -5.546 -5.546 881 1HB ALA 115 HB1 ALA 115 25.749 -5.654 -5.654 882 2HB ALA 115 HB3 ALA 115 24.979 -6.479 -6.479 883 3HB ALA 115 HB2 ALA 115 26.381 -7.199 -7.199 884 H LEU 116 HN LEU 116 25.117 -5.231 -5.231 885 HA LEU 116 HA LEU 116 25.853 -7.541 -7.541 886 1HB LEU 116 HB2 LEU 116 23.918 -5.303 -5.303 887 2HB LEU 116 HB1 LEU 116 24.503 -5.906 -5.906 888 HG LEU 116 HG LEU 116 23.037 -7.446 -7.446 889 1HD1 LEU 116 HD12 LEU 116 22.531 -6.831 -6.831 890 2HD1 LEU 116 HD11 LEU 116 21.557 -7.955 -7.955 891 3HD1 LEU 116 HD13 LEU 116 21.610 -6.247 -6.247 892 1HD2 LEU 116 HD23 LEU 116 24.845 -8.432 -8.432 893 2HD2 LEU 116 HD22 LEU 116 24.478 -9.152 -9.152 894 3HD2 LEU 116 HD21 LEU 116 23.327 -9.295 -9.295 895 H LEU 117 HN LEU 117 27.207 -4.467 -4.467 896 HA LEU 117 HA LEU 117 28.329 -4.190 -4.190 897 1HB LEU 117 HB2 LEU 117 27.965 -2.417 -2.417 898 2HB LEU 117 HB1 LEU 117 29.663 -2.818 -2.818 899 HG LEU 117 HG LEU 117 29.411 -0.859 -0.859 900 1HD1 LEU 117 HD13 LEU 117 31.259 -2.561 -2.561 901 2HD1 LEU 117 HD12 LEU 117 30.295 -3.244 -3.244 902 3HD1 LEU 117 HD11 LEU 117 30.878 -1.583 -1.583 903 1HD2 LEU 117 HD21 LEU 117 27.188 -2.181 -2.181 904 2HD2 LEU 117 HD23 LEU 117 27.931 -0.756 -0.756 905 3HD2 LEU 117 HD22 LEU 117 28.355 -2.362 -2.362 906 H GLN 118 HN GLN 118 28.707 -6.350 -6.350 907 HA GLN 118 HA GLN 118 31.553 -6.573 -6.573 908 1HB GLN 118 HB2 GLN 118 31.068 -8.800 -8.800 909 2HB GLN 118 HB1 GLN 118 29.890 -7.657 -7.657 910 1HG GLN 118 HG2 GLN 118 28.477 -9.366 -9.366 911 2HG GLN 118 HG1 GLN 118 28.510 -8.348 -8.348 912 1HE2 GLN 118 HE21 GLN 118 28.705 -9.657 -9.657 913 2HE2 GLN 118 HE22 GLN 118 29.704 -11.024 -11.024 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -11.081 -11.887 -11.887 2 2H MET 1 HT3 MET 1 -11.596 -13.282 -13.282 3 3H MET 1 HT2 MET 1 -10.334 -13.378 -13.378 4 HA MET 1 HA MET 1 -8.931 -13.178 -13.178 5 1HB MET 1 HB2 MET 1 -11.259 -12.104 -12.104 6 2HB MET 1 HB1 MET 1 -9.701 -12.627 -12.627 7 1HG MET 1 HG2 MET 1 -10.156 -14.894 -14.894 8 2HG MET 1 HG1 MET 1 -11.801 -14.330 -14.330 9 1HE MET 1 HE1 MET 1 -11.212 -16.791 -16.791 10 2HE MET 1 HE3 MET 1 -12.891 -16.381 -16.381 11 3HE MET 1 HE2 MET 1 -11.803 -16.921 -16.921 12 H CYS 2 HN CYS 2 -10.011 -10.865 -10.865 13 HA CYS 2 HA CYS 2 -9.360 -8.461 -8.461 14 1HB CYS 2 HB2 CYS 2 -9.427 -8.661 -8.661 15 2HB CYS 2 HB1 CYS 2 -9.824 -7.276 -7.276 16 HG CYS 2 HG CYS 2 -11.637 -9.826 -9.826 17 H ASP 3 HN ASP 3 -7.495 -7.081 -7.081 18 HA ASP 3 HA ASP 3 -5.030 -8.553 -8.553 19 1HB ASP 3 HB2 ASP 3 -5.452 -5.572 -5.572 20 2HB ASP 3 HB1 ASP 3 -3.939 -6.374 -6.374 21 H LYS 4 HN LYS 4 -6.847 -6.582 -6.582 22 HA LYS 4 HA LYS 4 -4.981 -6.469 -6.469 23 1HB LYS 4 HB2 LYS 4 -7.967 -6.825 -6.825 24 2HB LYS 4 HB1 LYS 4 -6.852 -5.989 -5.989 25 1HG LYS 4 HG2 LYS 4 -6.354 -4.435 -4.435 26 2HG LYS 4 HG1 LYS 4 -7.787 -5.133 -5.133 27 1HD LYS 4 HD2 LYS 4 -9.174 -4.425 -4.425 28 2HD LYS 4 HD1 LYS 4 -7.754 -3.831 -3.831 29 1HE LYS 4 HE2 LYS 4 -8.531 -2.800 -2.800 30 2HE LYS 4 HE1 LYS 4 -9.125 -2.067 -2.067 31 1HZ LYS 4 HZ3 LYS 4 -6.435 -2.352 -2.352 32 2HZ LYS 4 HZ2 LYS 4 -6.559 -1.850 -1.850 33 3HZ LYS 4 HZ1 LYS 4 -7.246 -0.911 -0.911 34 H GLU 5 HN GLU 5 -7.360 -8.984 -8.984 35 HA GLU 5 HA GLU 5 -6.940 -10.608 -10.608 36 1HB GLU 5 HB2 GLU 5 -8.687 -11.620 -11.620 37 2HB GLU 5 HB1 GLU 5 -8.364 -10.758 -10.758 38 1HG GLU 5 HG2 GLU 5 -6.814 -12.497 -12.497 39 2HG GLU 5 HG1 GLU 5 -6.972 -13.328 -13.328 40 H PHE 6 HN PHE 6 -5.431 -10.919 -10.919 41 HA PHE 6 HA PHE 6 -3.570 -12.945 -12.945 42 1HB PHE 6 HB2 PHE 6 -4.256 -13.042 -13.042 43 2HB PHE 6 HB1 PHE 6 -3.728 -11.383 -11.383 44 HD1 PHE 6 HD2 PHE 6 -2.332 -14.585 -14.585 45 HD2 PHE 6 HD1 PHE 6 -1.664 -11.104 -11.104 46 HE1 PHE 6 HE2 PHE 6 -0.063 -15.413 -15.413 47 HE2 PHE 6 HE1 PHE 6 0.605 -11.933 -11.933 48 HZ PHE 6 HZ PHE 6 1.405 -14.088 -14.088 49 H MET 7 HN MET 7 -3.578 -9.471 -9.471 50 HA MET 7 HA MET 7 -0.671 -9.209 -9.209 51 1HB MET 7 HB2 MET 7 -2.052 -7.543 -7.543 52 2HB MET 7 HB1 MET 7 -2.853 -7.129 -7.129 53 1HG MET 7 HG2 MET 7 -0.881 -6.223 -6.223 54 2HG MET 7 HG1 MET 7 0.148 -7.013 -7.013 55 1HE MET 7 HE1 MET 7 -3.024 -4.867 -4.867 56 2HE MET 7 HE3 MET 7 -2.942 -3.832 -3.832 57 3HE MET 7 HE2 MET 7 -3.193 -5.563 -5.563 58 H TRP 8 HN TRP 8 -3.482 -8.335 -8.335 59 HA TRP 8 HA TRP 8 -2.108 -7.470 -7.470 60 1HB TRP 8 HB2 TRP 8 -4.602 -7.480 -7.480 61 2HB TRP 8 HB1 TRP 8 -4.588 -9.208 -9.208 62 HD1 TRP 8 HD1 TRP 8 -4.014 -9.959 -9.959 63 HE1 TRP 8 HE1 TRP 8 -3.969 -8.683 -8.683 64 HE3 TRP 8 HE3 TRP 8 -4.103 -5.151 -5.151 65 HZ2 TRP 8 HZ2 TRP 8 -3.970 -5.981 -5.981 66 HZ3 TRP 8 HZ3 TRP 8 -4.080 -3.247 -3.247 67 HH2 TRP 8 HH2 TRP 8 -4.013 -3.656 -3.656 68 H ALA 9 HN ALA 9 -1.920 -10.518 -10.518 69 HA ALA 9 HA ALA 9 -1.404 -12.024 -12.024 70 1HB ALA 9 HB3 ALA 9 -1.597 -12.547 -12.547 71 2HB ALA 9 HB2 ALA 9 -0.387 -13.521 -13.521 72 3HB ALA 9 HB1 ALA 9 -2.067 -13.564 -13.564 73 H LEU 10 HN LEU 10 0.657 -11.216 -11.216 74 HA LEU 10 HA LEU 10 3.169 -11.857 -11.857 75 1HB LEU 10 HB2 LEU 10 2.457 -9.389 -9.389 76 2HB LEU 10 HB1 LEU 10 4.073 -10.063 -10.063 77 HG LEU 10 HG LEU 10 2.753 -12.273 -12.273 78 1HD1 LEU 10 HD11 LEU 10 0.661 -10.730 -10.730 79 2HD1 LEU 10 HD13 LEU 10 1.481 -10.087 -10.087 80 3HD1 LEU 10 HD12 LEU 10 1.056 -11.795 -11.795 81 1HD2 LEU 10 HD23 LEU 10 3.866 -10.043 -10.043 82 2HD2 LEU 10 HD22 LEU 10 4.791 -11.361 -11.361 83 3HD2 LEU 10 HD21 LEU 10 3.606 -11.699 -11.699 84 H LYS 11 HN LYS 11 1.024 -9.615 -9.615 85 HA LYS 11 HA LYS 11 2.989 -7.741 -7.741 86 1HB LYS 11 HB2 LYS 11 0.777 -7.006 -7.006 87 2HB LYS 11 HB1 LYS 11 0.026 -8.096 -8.096 88 1HG LYS 11 HG2 LYS 11 0.870 -6.867 -6.867 89 2HG LYS 11 HG1 LYS 11 1.977 -5.944 -5.944 90 1HD LYS 11 HD2 LYS 11 0.228 -4.688 -4.688 91 2HD LYS 11 HD1 LYS 11 -1.002 -5.847 -5.847 92 1HE LYS 11 HE2 LYS 11 -0.858 -3.672 -3.672 93 2HE LYS 11 HE1 LYS 11 -0.848 -5.177 -5.177 94 1HZ LYS 11 HZ1 LYS 11 1.602 -5.060 -5.060 95 2HZ LYS 11 HZ3 LYS 11 1.509 -3.538 -3.538 96 3HZ LYS 11 HZ2 LYS 11 0.879 -3.759 -3.759 97 H ASN 12 HN ASN 12 0.386 -9.350 -9.350 98 HA ASN 12 HA ASN 12 1.922 -9.220 -9.220 99 1HB ASN 12 HB2 ASN 12 -0.813 -10.180 -10.180 100 2HB ASN 12 HB1 ASN 12 -0.169 -10.480 -10.480 101 1HD2 ASN 12 HD21 ASN 12 0.638 -8.451 -8.451 102 2HD2 ASN 12 HD22 ASN 12 -0.183 -6.993 -6.993 103 H GLY 13 HN GLY 13 3.240 -10.956 -10.956 104 1HA GLY 13 HA2 GLY 13 4.189 -13.107 -13.107 105 2HA GLY 13 HA1 GLY 13 3.919 -13.081 -13.081 106 H ASP 14 HN ASP 14 1.308 -12.956 -12.956 107 HA ASP 14 HA ASP 14 -0.118 -15.180 -15.180 108 1HB ASP 14 HB2 ASP 14 -1.737 -14.730 -14.730 109 2HB ASP 14 HB1 ASP 14 -0.912 -13.172 -13.172 110 H LEU 15 HN LEU 15 2.640 -15.375 -15.375 111 HA LEU 15 HA LEU 15 3.159 -16.607 -16.607 112 1HB LEU 15 HB2 LEU 15 4.605 -16.572 -16.572 113 2HB LEU 15 HB1 LEU 15 3.744 -17.948 -17.948 114 HG LEU 15 HG LEU 15 5.947 -18.417 -18.417 115 1HD1 LEU 15 HD12 LEU 15 3.636 -19.911 -19.911 116 2HD1 LEU 15 HD11 LEU 15 4.011 -20.006 -20.006 117 3HD1 LEU 15 HD13 LEU 15 5.200 -20.520 -20.520 118 1HD2 LEU 15 HD23 LEU 15 5.266 -16.776 -16.776 119 2HD2 LEU 15 HD22 LEU 15 6.102 -18.256 -18.256 120 3HD2 LEU 15 HD21 LEU 15 4.360 -18.145 -18.145 121 H ASP 16 HN ASP 16 0.936 -18.065 -18.065 122 HA ASP 16 HA ASP 16 0.695 -20.597 -20.597 123 1HB ASP 16 HB2 ASP 16 -1.185 -19.031 -19.031 124 2HB ASP 16 HB1 ASP 16 -1.449 -20.701 -20.701 125 H GLU 17 HN GLU 17 -1.028 -17.500 -17.500 126 HA GLU 17 HA GLU 17 -2.942 -18.739 -18.739 127 1HB GLU 17 HB2 GLU 17 -2.848 -16.325 -16.325 128 2HB GLU 17 HB1 GLU 17 -2.811 -15.852 -15.852 129 1HG GLU 17 HG2 GLU 17 -4.832 -17.146 -17.146 130 2HG GLU 17 HG1 GLU 17 -4.835 -17.783 -17.783 131 H VAL 18 HN VAL 18 0.047 -16.901 -16.901 132 HA VAL 18 HA VAL 18 -0.139 -16.515 -16.515 133 HB VAL 18 HB VAL 18 2.599 -16.766 -16.766 134 1HG1 VAL 18 HG11 VAL 18 1.416 -15.020 -15.020 135 2HG1 VAL 18 HG13 VAL 18 1.107 -14.145 -14.145 136 3HG1 VAL 18 HG12 VAL 18 2.763 -14.485 -14.485 137 1HG2 VAL 18 HG21 VAL 18 1.766 -16.798 -16.798 138 2HG2 VAL 18 HG23 VAL 18 2.645 -15.312 -15.312 139 3HG2 VAL 18 HG22 VAL 18 0.897 -15.307 -15.307 140 H LYS 19 HN LYS 19 1.239 -18.929 -18.929 141 HA LYS 19 HA LYS 19 2.599 -20.523 -20.523 142 1HB LYS 19 HB2 LYS 19 2.714 -20.693 -20.693 143 2HB LYS 19 HB1 LYS 19 1.146 -21.486 -21.486 144 1HG LYS 19 HG2 LYS 19 1.984 -23.398 -23.398 145 2HG LYS 19 HG1 LYS 19 3.376 -22.549 -22.549 146 1HD LYS 19 HD2 LYS 19 3.082 -22.757 -22.757 147 2HD LYS 19 HD1 LYS 19 3.689 -24.143 -24.143 148 1HE LYS 19 HE2 LYS 19 4.910 -21.496 -21.496 149 2HE LYS 19 HE1 LYS 19 5.317 -22.210 -22.210 150 1HZ LYS 19 HZ2 LYS 19 5.412 -24.212 -24.212 151 2HZ LYS 19 HZ1 LYS 19 6.324 -22.887 -22.887 152 3HZ LYS 19 HZ3 LYS 19 6.683 -23.600 -23.600 153 H ASP 20 HN ASP 20 -0.810 -20.332 -20.332 154 HA ASP 20 HA ASP 20 -1.549 -22.765 -22.765 155 1HB ASP 20 HB2 ASP 20 -2.941 -21.488 -21.488 156 2HB ASP 20 HB1 ASP 20 -3.334 -20.365 -20.365 157 H TYR 21 HN TYR 21 -1.276 -19.370 -19.370 158 HA TYR 21 HA TYR 21 -2.548 -19.602 -19.602 159 1HB TYR 21 HB2 TYR 21 -0.577 -17.722 -17.722 160 2HB TYR 21 HB1 TYR 21 -0.738 -17.692 -17.692 161 HD1 TYR 21 HD1 TYR 21 -2.741 -17.558 -17.558 162 HD2 TYR 21 HD2 TYR 21 -2.561 -16.584 -16.584 163 HE1 TYR 21 HE1 TYR 21 -4.843 -16.258 -16.258 164 HE2 TYR 21 HE2 TYR 21 -4.664 -15.284 -15.284 165 HH TYR 21 HH TYR 21 -6.216 -14.512 -14.512 166 H VAL 22 HN VAL 22 0.990 -19.913 -19.913 167 HA VAL 22 HA VAL 22 1.584 -20.662 -20.662 168 HB VAL 22 HB VAL 22 3.736 -20.599 -20.599 169 1HG1 VAL 22 HG13 VAL 22 2.732 -18.841 -18.841 170 2HG1 VAL 22 HG12 VAL 22 2.609 -20.025 -20.025 171 3HG1 VAL 22 HG11 VAL 22 4.193 -19.547 -19.547 172 1HG2 VAL 22 HG21 VAL 22 2.966 -22.486 -22.486 173 2HG2 VAL 22 HG23 VAL 22 3.762 -22.913 -22.913 174 3HG2 VAL 22 HG22 VAL 22 4.609 -21.946 -21.946 175 H ALA 23 HN ALA 23 0.309 -22.411 -22.411 176 HA ALA 23 HA ALA 23 1.028 -25.061 -25.061 177 1HB ALA 23 HB3 ALA 23 -0.474 -24.180 -24.180 178 2HB ALA 23 HB2 ALA 23 -1.794 -24.301 -24.301 179 3HB ALA 23 HB1 ALA 23 -0.889 -25.743 -25.743 180 H LYS 24 HN LYS 24 -0.895 -22.748 -22.748 181 HA LYS 24 HA LYS 24 -2.476 -24.454 -24.454 182 1HB LYS 24 HB2 LYS 24 -1.364 -21.664 -21.664 183 2HB LYS 24 HB1 LYS 24 -2.418 -22.435 -22.435 184 1HG LYS 24 HG2 LYS 24 -3.274 -22.339 -22.339 185 2HG LYS 24 HG1 LYS 24 -3.443 -20.893 -20.893 186 1HD LYS 24 HD2 LYS 24 -5.001 -21.874 -21.874 187 2HD LYS 24 HD1 LYS 24 -4.424 -23.507 -23.507 188 1HE LYS 24 HE2 LYS 24 -5.442 -23.500 -23.500 189 2HE LYS 24 HE1 LYS 24 -5.849 -21.790 -21.790 190 1HZ LYS 24 HZ1 LYS 24 -6.866 -23.840 -23.840 191 2HZ LYS 24 HZ3 LYS 24 -7.699 -23.402 -23.402 192 3HZ LYS 24 HZ2 LYS 24 -7.413 -22.244 -22.244 193 H GLY 25 HN GLY 25 0.048 -22.454 -22.454 194 1HA GLY 25 HA2 GLY 25 1.621 -24.742 -24.742 195 2HA GLY 25 HA1 GLY 25 0.766 -23.893 -23.893 196 H GLU 26 HN GLU 26 2.915 -23.267 -23.267 197 HA GLU 26 HA GLU 26 4.359 -21.449 -21.449 198 1HB GLU 26 HB2 GLU 26 6.112 -21.366 -21.366 199 2HB GLU 26 HB1 GLU 26 5.980 -22.812 -22.812 200 1HG GLU 26 HG2 GLU 26 4.559 -23.865 -23.865 201 2HG GLU 26 HG1 GLU 26 4.654 -22.406 -22.406 202 H ASP 27 HN ASP 27 3.293 -19.542 -19.542 203 HA ASP 27 HA ASP 27 3.265 -17.968 -17.968 204 1HB ASP 27 HB2 ASP 27 1.122 -18.153 -18.153 205 2HB ASP 27 HB1 ASP 27 1.193 -16.829 -16.829 206 H VAL 28 HN VAL 28 5.447 -17.814 -17.814 207 HA VAL 28 HA VAL 28 5.051 -15.563 -15.563 208 HB VAL 28 HB VAL 28 7.269 -16.130 -16.130 209 1HG1 VAL 28 HG13 VAL 28 5.448 -18.518 -18.518 210 2HG1 VAL 28 HG12 VAL 28 6.688 -18.400 -18.400 211 3HG1 VAL 28 HG11 VAL 28 5.302 -17.312 -17.312 212 1HG2 VAL 28 HG21 VAL 28 7.784 -17.166 -17.166 213 2HG2 VAL 28 HG23 VAL 28 8.762 -17.479 -17.479 214 3HG2 VAL 28 HG22 VAL 28 7.517 -18.626 -18.626 215 H ASN 29 HN ASN 29 4.716 -14.624 -14.624 216 HA ASN 29 HA ASN 29 6.774 -12.692 -12.692 217 1HB ASN 29 HB2 ASN 29 7.320 -13.448 -13.448 218 2HB ASN 29 HB1 ASN 29 8.088 -14.351 -14.351 219 1HD2 ASN 29 HD21 ASN 29 7.118 -16.490 -16.490 220 2HD2 ASN 29 HD22 ASN 29 6.192 -17.317 -17.317 221 H ARG 30 HN ARG 30 3.951 -12.847 -12.847 222 HA ARG 30 HA ARG 30 2.875 -11.902 -11.902 223 1HB ARG 30 HB2 ARG 30 0.665 -12.123 -12.123 224 2HB ARG 30 HB1 ARG 30 1.397 -13.556 -13.556 225 1HG ARG 30 HG2 ARG 30 2.373 -14.229 -14.229 226 2HG ARG 30 HG1 ARG 30 2.200 -12.636 -12.636 227 1HD ARG 30 HD2 ARG 30 0.550 -14.363 -14.363 228 2HD ARG 30 HD1 ARG 30 -0.184 -12.895 -12.895 229 HE ARG 30 HE ARG 30 -0.111 -14.588 -14.588 230 1HH1 ARG 30 HH21 ARG 30 -1.214 -14.780 -14.780 231 2HH1 ARG 30 HH22 ARG 30 -2.515 -15.864 -15.864 232 1HH2 ARG 30 HH11 ARG 30 -1.807 -16.003 -16.003 233 2HH2 ARG 30 HH12 ARG 30 -2.852 -16.556 -16.556 234 H THR 31 HN THR 31 1.744 -9.889 -9.889 235 HA THR 31 HA THR 31 2.872 -7.858 -7.858 236 HB THR 31 HB THR 31 0.165 -7.594 -7.594 237 HG1 THR 31 HG1 THR 31 2.037 -8.543 -8.543 238 1HG2 THR 31 HG22 THR 31 2.483 -5.708 -5.708 239 2HG2 THR 31 HG21 THR 31 0.984 -5.273 -5.273 240 3HG2 THR 31 HG23 THR 31 0.955 -5.731 -5.731 241 H LEU 32 HN LEU 32 2.288 -7.107 -7.107 242 HA LEU 32 HA LEU 32 0.416 -8.699 -8.699 243 1HB LEU 32 HB2 LEU 32 2.654 -7.279 -7.279 244 2HB LEU 32 HB1 LEU 32 1.416 -6.163 -6.163 245 HG LEU 32 HG LEU 32 1.562 -9.097 -9.097 246 1HD1 LEU 32 HD13 LEU 32 3.345 -7.345 -7.345 247 2HD1 LEU 32 HD12 LEU 32 2.011 -6.838 -6.838 248 3HD1 LEU 32 HD11 LEU 32 2.599 -8.496 -8.496 249 1HD2 LEU 32 HD22 LEU 32 -0.712 -8.140 -8.140 250 2HD2 LEU 32 HD21 LEU 32 -0.159 -8.462 -8.462 251 3HD2 LEU 32 HD23 LEU 32 -0.150 -6.816 -6.816 252 H GLU 33 HN GLU 33 0.332 -5.175 -5.175 253 HA GLU 33 HA GLU 33 -2.592 -5.305 -5.305 254 1HB GLU 33 HB2 GLU 33 -2.526 -2.965 -2.965 255 2HB GLU 33 HB1 GLU 33 -1.387 -3.899 -3.899 256 1HG GLU 33 HG2 GLU 33 0.395 -3.215 -3.215 257 2HG GLU 33 HG1 GLU 33 -0.781 -2.035 -2.035 258 H GLY 34 HN GLY 34 -0.122 -3.579 -3.579 259 1HA GLY 34 HA2 GLY 34 -1.900 -3.804 -3.804 260 2HA GLY 34 HA1 GLY 34 -1.702 -2.154 -2.154 261 H GLY 35 HN GLY 35 1.124 -3.010 -3.010 262 1HA GLY 35 HA2 GLY 35 2.526 -3.530 -3.530 263 2HA GLY 35 HA1 GLY 35 2.635 -1.847 -1.847 264 H ARG 36 HN ARG 36 2.387 -4.434 -4.434 265 HA ARG 36 HA ARG 36 5.258 -3.987 -3.987 266 1HB ARG 36 HB2 ARG 36 3.089 -4.644 -4.644 267 2HB ARG 36 HB1 ARG 36 4.681 -3.952 -3.952 268 1HG ARG 36 HG2 ARG 36 2.445 -2.557 -2.557 269 2HG ARG 36 HG1 ARG 36 2.851 -2.257 -2.257 270 1HD ARG 36 HD2 ARG 36 5.298 -1.974 -1.974 271 2HD ARG 36 HD1 ARG 36 4.218 -1.348 -1.348 272 HE ARG 36 HE ARG 36 4.992 0.077 0.077 273 1HH1 ARG 36 HH21 ARG 36 2.066 -0.907 -0.907 274 2HH1 ARG 36 HH22 ARG 36 1.105 0.313 0.313 275 1HH2 ARG 36 HH11 ARG 36 3.748 1.669 1.669 276 2HH2 ARG 36 HH12 ARG 36 2.054 1.770 1.770 277 H LYS 37 HN LYS 37 6.238 -5.827 -5.827 278 HA LYS 37 HA LYS 37 5.179 -8.452 -8.452 279 1HB LYS 37 HB2 LYS 37 7.691 -9.045 -9.045 280 2HB LYS 37 HB1 LYS 37 7.346 -8.436 -8.436 281 1HG LYS 37 HG2 LYS 37 9.194 -7.168 -7.168 282 2HG LYS 37 HG1 LYS 37 7.792 -6.120 -6.120 283 1HD LYS 37 HD2 LYS 37 7.198 -6.337 -6.337 284 2HD LYS 37 HD1 LYS 37 8.404 -7.594 -7.594 285 1HE LYS 37 HE2 LYS 37 9.526 -5.735 -5.735 286 2HE LYS 37 HE1 LYS 37 10.070 -5.718 -5.718 287 1HZ LYS 37 HZ3 LYS 37 7.816 -4.329 -4.329 288 2HZ LYS 37 HZ2 LYS 37 8.276 -3.911 -3.911 289 3HZ LYS 37 HZ1 LYS 37 9.329 -3.616 -3.616 290 HA PRO 38 HA PRO 38 4.439 -9.595 -9.595 291 1HB PRO 38 HB2 PRO 38 5.116 -12.292 -12.292 292 2HB PRO 38 HB1 PRO 38 3.618 -11.629 -11.629 293 1HG PRO 38 HG2 PRO 38 5.943 -12.751 -12.751 294 2HG PRO 38 HG1 PRO 38 4.302 -12.455 -12.455 295 1HD PRO 38 HD2 PRO 38 6.649 -10.871 -10.871 296 2HD PRO 38 HD1 PRO 38 4.989 -10.537 -10.537 297 H LEU 39 HN LEU 39 7.404 -8.740 -8.740 298 HA LEU 39 HA LEU 39 8.611 -10.291 -10.291 299 1HB LEU 39 HB2 LEU 39 9.738 -10.336 -10.336 300 2HB LEU 39 HB1 LEU 39 10.113 -8.652 -8.652 301 HG LEU 39 HG LEU 39 11.747 -9.108 -9.108 302 1HD1 LEU 39 HD12 LEU 39 10.287 -11.676 -11.676 303 2HD1 LEU 39 HD11 LEU 39 11.846 -11.207 -11.207 304 3HD1 LEU 39 HD13 LEU 39 10.427 -10.227 -10.227 305 1HD2 LEU 39 HD21 LEU 39 12.215 -10.309 -10.309 306 2HD2 LEU 39 HD23 LEU 39 13.067 -10.973 -10.973 307 3HD2 LEU 39 HD22 LEU 39 11.634 -11.786 -11.786 308 H HIS 40 HN HIS 40 7.630 -7.134 -7.134 309 HA HIS 40 HA HIS 40 9.349 -5.569 -5.569 310 1HB HIS 40 HB2 HIS 40 8.180 -4.524 -4.524 311 2HB HIS 40 HB1 HIS 40 6.620 -4.977 -4.977 312 HD1 HIS 40 HD1 HIS 40 9.336 -3.699 -3.699 313 HD2 HIS 40 HD2 HIS 40 5.892 -2.241 -2.241 314 HE1 HIS 40 HE1 HIS 40 8.860 -1.444 -1.444 315 H TYR 41 HN TYR 41 5.944 -6.579 -6.579 316 HA TYR 41 HA TYR 41 5.755 -5.539 -5.539 317 1HB TYR 41 HB2 TYR 41 4.095 -7.753 -7.753 318 2HB TYR 41 HB1 TYR 41 3.625 -6.643 -6.643 319 HD1 TYR 41 HD1 TYR 41 4.613 -6.808 -6.808 320 HD2 TYR 41 HD2 TYR 41 2.774 -4.481 -4.481 321 HE1 TYR 41 HE1 TYR 41 3.907 -5.129 -5.129 322 HE2 TYR 41 HE2 TYR 41 2.055 -2.810 -2.810 323 HH TYR 41 HH TYR 41 3.047 -3.082 -3.082 324 H ALA 42 HN ALA 42 6.613 -8.696 -8.696 325 HA ALA 42 HA ALA 42 6.723 -10.029 -10.029 326 1HB ALA 42 HB2 ALA 42 6.743 -11.126 -11.126 327 2HB ALA 42 HB1 ALA 42 8.445 -10.672 -10.672 328 3HB ALA 42 HB3 ALA 42 7.885 -11.784 -11.784 329 H ALA 43 HN ALA 43 9.288 -8.785 -8.785 330 HA ALA 43 HA ALA 43 11.438 -8.820 -8.820 331 1HB ALA 43 HB1 ALA 43 11.615 -8.212 -8.212 332 2HB ALA 43 HB3 ALA 43 10.763 -6.706 -6.706 333 3HB ALA 43 HB2 ALA 43 12.361 -6.985 -6.985 334 H ASP 44 HN ASP 44 9.493 -5.925 -5.925 335 HA ASP 44 HA ASP 44 10.381 -4.333 -4.333 336 1HB ASP 44 HB2 ASP 44 9.157 -3.525 -3.525 337 2HB ASP 44 HB1 ASP 44 7.673 -4.183 -4.183 338 H CYS 45 HN CYS 45 7.894 -6.828 -6.828 339 HA CYS 45 HA CYS 45 7.745 -6.605 -6.605 340 1HB CYS 45 HB2 CYS 45 5.018 -6.354 -6.354 341 2HB CYS 45 HB1 CYS 45 6.030 -5.137 -5.137 342 HG CYS 45 HG CYS 45 5.628 -3.818 -3.818 343 H GLY 46 HN GLY 46 8.554 -8.777 -8.777 344 1HA GLY 46 HA2 GLY 46 6.193 -10.602 -10.602 345 2HA GLY 46 HA1 GLY 46 7.765 -10.885 -10.885 346 H GLN 47 HN GLN 47 7.684 -9.697 -9.697 347 HA GLN 47 HA GLN 47 8.540 -10.719 -10.719 348 1HB GLN 47 HB2 GLN 47 6.791 -12.856 -12.856 349 2HB GLN 47 HB1 GLN 47 7.746 -13.207 -13.207 350 1HG GLN 47 HG2 GLN 47 5.350 -12.351 -12.351 351 2HG GLN 47 HG1 GLN 47 6.627 -11.561 -11.561 352 1HE2 GLN 47 HE21 GLN 47 4.191 -11.092 -11.092 353 2HE2 GLN 47 HE22 GLN 47 4.480 -9.438 -9.438 354 H LEU 48 HN LEU 48 9.694 -10.938 -10.938 355 HA LEU 48 HA LEU 48 11.636 -11.669 -11.669 356 1HB LEU 48 HB2 LEU 48 12.217 -12.138 -12.138 357 2HB LEU 48 HB1 LEU 48 13.394 -12.518 -12.518 358 HG LEU 48 HG LEU 48 14.007 -10.361 -10.361 359 1HD1 LEU 48 HD11 LEU 48 11.081 -9.682 -9.682 360 2HD1 LEU 48 HD13 LEU 48 12.369 -8.498 -8.498 361 3HD1 LEU 48 HD12 LEU 48 12.321 -9.781 -9.781 362 1HD2 LEU 48 HD23 LEU 48 13.376 -10.487 -10.487 363 2HD2 LEU 48 HD22 LEU 48 13.482 -8.869 -8.869 364 3HD2 LEU 48 HD21 LEU 48 11.905 -9.616 -9.616 365 H GLU 49 HN GLU 49 9.429 -13.719 -13.719 366 HA GLU 49 HA GLU 49 10.957 -16.191 -16.191 367 1HB GLU 49 HB2 GLU 49 8.623 -17.238 -17.238 368 2HB GLU 49 HB1 GLU 49 9.666 -16.661 -16.661 369 1HG GLU 49 HG2 GLU 49 8.470 -14.550 -14.550 370 2HG GLU 49 HG1 GLU 49 7.498 -14.997 -14.997 371 H ILE 50 HN ILE 50 8.223 -14.201 -14.201 372 HA ILE 50 HA ILE 50 7.258 -15.805 -15.805 373 HB ILE 50 HB ILE 50 7.121 -12.801 -12.801 374 1HG1 ILE 50 HG12 ILE 50 5.989 -14.912 -14.912 375 2HG1 ILE 50 HG11 ILE 50 5.971 -13.176 -13.176 376 1HG2 ILE 50 HG22 ILE 50 6.494 -13.679 -13.679 377 2HG2 ILE 50 HG21 ILE 50 5.361 -14.799 -14.799 378 3HG2 ILE 50 HG23 ILE 50 5.079 -13.058 -13.058 379 1HD1 ILE 50 HD12 ILE 50 4.044 -14.530 -14.530 380 2HD1 ILE 50 HD11 ILE 50 3.705 -14.351 -14.351 381 3HD1 ILE 50 HD13 ILE 50 3.930 -12.921 -12.921 382 H LEU 51 HN LEU 51 9.661 -13.140 -13.140 383 HA LEU 51 HA LEU 51 9.882 -13.082 -13.082 384 1HB LEU 51 HB2 LEU 51 12.490 -12.633 -12.633 385 2HB LEU 51 HB1 LEU 51 11.253 -11.403 -11.403 386 HG LEU 51 HG LEU 51 12.501 -11.177 -11.177 387 1HD1 LEU 51 HD11 LEU 51 9.704 -11.381 -11.381 388 2HD1 LEU 51 HD13 LEU 51 10.155 -12.172 -12.172 389 3HD1 LEU 51 HD12 LEU 51 10.655 -10.512 -10.512 390 1HD2 LEU 51 HD23 LEU 51 12.975 -13.741 -13.741 391 2HD2 LEU 51 HD22 LEU 51 12.888 -12.886 -12.886 392 3HD2 LEU 51 HD21 LEU 51 11.508 -13.840 -13.840 393 H GLU 52 HN GLU 52 11.911 -15.060 -15.060 394 HA GLU 52 HA GLU 52 13.354 -16.451 -16.451 395 1HB GLU 52 HB2 GLU 52 12.224 -17.465 -17.465 396 2HB GLU 52 HB1 GLU 52 13.367 -18.368 -18.368 397 1HG GLU 52 HG2 GLU 52 14.844 -16.245 -16.245 398 2HG GLU 52 HG1 GLU 52 13.797 -15.763 -15.763 399 H PHE 53 HN PHE 53 9.986 -16.914 -16.914 400 HA PHE 53 HA PHE 53 9.639 -19.480 -19.480 401 1HB PHE 53 HB2 PHE 53 8.008 -18.686 -18.686 402 2HB PHE 53 HB1 PHE 53 7.666 -17.273 -17.273 403 HD1 PHE 53 HD1 PHE 53 7.877 -20.993 -20.993 404 HD2 PHE 53 HD2 PHE 53 5.705 -17.367 -17.367 405 HE1 PHE 53 HE1 PHE 53 6.174 -22.280 -22.280 406 HE2 PHE 53 HE2 PHE 53 4.002 -18.657 -18.657 407 HZ PHE 53 HZ PHE 53 4.240 -21.112 -21.112 408 H LEU 54 HN LEU 54 7.780 -16.808 -16.808 409 HA LEU 54 HA LEU 54 7.575 -17.958 -17.958 410 1HB LEU 54 HB2 LEU 54 6.621 -15.915 -15.915 411 2HB LEU 54 HB1 LEU 54 6.208 -16.086 -16.086 412 HG LEU 54 HG LEU 54 6.832 -13.825 -13.825 413 1HD1 LEU 54 HD13 LEU 54 7.910 -15.053 -15.053 414 2HD1 LEU 54 HD12 LEU 54 9.366 -15.173 -15.173 415 3HD1 LEU 54 HD11 LEU 54 8.763 -13.598 -13.598 416 1HD2 LEU 54 HD21 LEU 54 8.165 -14.494 -14.494 417 2HD2 LEU 54 HD23 LEU 54 8.395 -12.961 -12.961 418 3HD2 LEU 54 HD22 LEU 54 9.530 -14.280 -14.280 419 H LEU 55 HN LEU 55 10.390 -16.774 -16.774 420 HA LEU 55 HA LEU 55 11.562 -15.946 -15.946 421 1HB LEU 55 HB2 LEU 55 11.976 -14.855 -14.855 422 2HB LEU 55 HB1 LEU 55 13.049 -16.223 -16.223 423 HG LEU 55 HG LEU 55 13.249 -14.267 -14.267 424 1HD1 LEU 55 HD12 LEU 55 14.582 -14.481 -14.481 425 2HD1 LEU 55 HD11 LEU 55 15.494 -13.835 -13.835 426 3HD1 LEU 55 HD13 LEU 55 14.003 -13.046 -13.046 427 1HD2 LEU 55 HD23 LEU 55 14.713 -16.778 -16.778 428 2HD2 LEU 55 HD22 LEU 55 14.221 -16.216 -16.216 429 3HD2 LEU 55 HD21 LEU 55 15.602 -15.481 -15.481 430 H LEU 56 HN LEU 56 11.939 -18.485 -18.485 431 HA LEU 56 HA LEU 56 14.024 -19.871 -19.871 432 1HB LEU 56 HB2 LEU 56 13.742 -21.641 -21.641 433 2HB LEU 56 HB1 LEU 56 13.189 -20.247 -20.247 434 HG LEU 56 HG LEU 56 10.832 -20.967 -20.967 435 1HD1 LEU 56 HD13 LEU 56 12.219 -22.963 -22.963 436 2HD1 LEU 56 HD12 LEU 56 12.014 -23.677 -23.677 437 3HD1 LEU 56 HD11 LEU 56 10.599 -23.242 -23.242 438 1HD2 LEU 56 HD21 LEU 56 11.500 -20.765 -20.765 439 2HD2 LEU 56 HD23 LEU 56 10.310 -22.017 -22.017 440 3HD2 LEU 56 HD22 LEU 56 11.998 -22.453 -22.453 441 H LYS 57 HN LYS 57 10.594 -19.766 -19.766 442 HA LYS 57 HA LYS 57 10.454 -22.068 -22.068 443 1HB LYS 57 HB2 LYS 57 8.514 -20.897 -20.897 444 2HB LYS 57 HB1 LYS 57 8.577 -19.685 -19.685 445 1HG LYS 57 HG2 LYS 57 7.699 -21.094 -21.094 446 2HG LYS 57 HG1 LYS 57 8.467 -22.523 -22.523 447 1HD LYS 57 HD2 LYS 57 6.132 -21.085 -21.085 448 2HD LYS 57 HD1 LYS 57 5.954 -22.485 -22.485 449 1HE LYS 57 HE2 LYS 57 6.088 -23.644 -23.644 450 2HE LYS 57 HE1 LYS 57 7.821 -23.427 -23.427 451 1HZ LYS 57 HZ1 LYS 57 6.350 -21.264 -21.264 452 2HZ LYS 57 HZ3 LYS 57 6.570 -22.689 -22.689 453 3HZ LYS 57 HZ2 LYS 57 7.918 -21.843 -21.843 454 H GLY 58 HN GLY 58 9.210 -19.222 -19.222 455 1HA GLY 58 HA2 GLY 58 11.068 -19.442 -19.442 456 2HA GLY 58 HA1 GLY 58 9.907 -18.129 -18.129 457 H ALA 59 HN ALA 59 10.970 -16.161 -16.161 458 HA ALA 59 HA ALA 59 12.669 -15.674 -15.674 459 1HB ALA 59 HB2 ALA 59 14.100 -16.789 -16.789 460 2HB ALA 59 HB1 ALA 59 14.865 -15.441 -15.441 461 3HB ALA 59 HB3 ALA 59 14.478 -16.908 -16.908 462 H ASP 60 HN ASP 60 11.322 -13.832 -13.832 463 HA ASP 60 HA ASP 60 11.641 -11.936 -11.936 464 1HB ASP 60 HB2 ASP 60 9.558 -12.199 -12.199 465 2HB ASP 60 HB1 ASP 60 10.479 -11.426 -11.426 466 H ILE 61 HN ILE 61 13.608 -12.989 -12.989 467 HA ILE 61 HA ILE 61 14.703 -10.895 -10.895 468 HB ILE 61 HB ILE 61 15.392 -13.309 -13.309 469 1HG1 ILE 61 HG12 ILE 61 17.615 -11.273 -11.273 470 2HG1 ILE 61 HG11 ILE 61 16.793 -11.629 -11.629 471 1HG2 ILE 61 HG22 ILE 61 15.571 -13.341 -13.341 472 2HG2 ILE 61 HG21 ILE 61 17.150 -12.591 -12.591 473 3HG2 ILE 61 HG23 ILE 61 16.832 -14.190 -14.190 474 1HD1 ILE 61 HD11 ILE 61 17.642 -14.132 -14.132 475 2HD1 ILE 61 HD13 ILE 61 18.984 -13.061 -13.061 476 3HD1 ILE 61 HD12 ILE 61 18.396 -13.181 -13.181 477 H ASN 62 HN ASN 62 14.903 -11.421 -11.421 478 HA ASN 62 HA ASN 62 16.496 -8.935 -8.935 479 1HB ASN 62 HB2 ASN 62 17.925 -10.028 -10.028 480 2HB ASN 62 HB1 ASN 62 18.052 -10.861 -10.861 481 1HD2 ASN 62 HD21 ASN 62 15.538 -12.283 -12.283 482 2HD2 ASN 62 HD22 ASN 62 15.659 -13.452 -13.452 483 H ALA 63 HN ALA 63 14.189 -11.190 -11.190 484 HA ALA 63 HA ALA 63 13.564 -10.811 -10.811 485 1HB ALA 63 HB1 ALA 63 11.613 -10.209 -10.209 486 2HB ALA 63 HB3 ALA 63 11.139 -10.403 -10.403 487 3HB ALA 63 HB2 ALA 63 11.883 -11.746 -11.746 488 HA PRO 64 HA PRO 64 11.625 -6.096 -6.096 489 1HB PRO 64 HB2 PRO 64 14.444 -5.540 -5.540 490 2HB PRO 64 HB1 PRO 64 12.946 -4.719 -4.719 491 1HG PRO 64 HG2 PRO 64 14.233 -6.831 -6.831 492 2HG PRO 64 HG1 PRO 64 12.596 -6.212 -6.212 493 1HD PRO 64 HD2 PRO 64 13.164 -8.811 -8.811 494 2HD PRO 64 HD1 PRO 64 11.602 -8.013 -8.013 495 H ASP 65 HN ASP 65 11.529 -4.953 -4.953 496 HA ASP 65 HA ASP 65 13.806 -4.852 -4.852 497 1HB ASP 65 HB2 ASP 65 10.978 -5.774 -5.774 498 2HB ASP 65 HB1 ASP 65 12.033 -5.154 -5.154 499 H LYS 66 HN LYS 66 10.479 -3.719 -3.719 500 HA LYS 66 HA LYS 66 11.047 -1.126 -1.126 501 1HB LYS 66 HB2 LYS 66 8.843 -2.505 -2.505 502 2HB LYS 66 HB1 LYS 66 8.556 -1.850 -1.850 503 1HG LYS 66 HG2 LYS 66 7.580 -0.218 -0.218 504 2HG LYS 66 HG1 LYS 66 9.204 0.432 0.432 505 1HD LYS 66 HD2 LYS 66 9.749 -0.560 -0.560 506 2HD LYS 66 HD1 LYS 66 8.136 -1.266 -1.266 507 1HE LYS 66 HE2 LYS 66 8.733 1.704 1.704 508 2HE LYS 66 HE1 LYS 66 8.285 0.837 0.837 509 1HZ LYS 66 HZ2 LYS 66 6.229 0.140 0.140 510 2HZ LYS 66 HZ1 LYS 66 6.644 1.235 1.235 511 3HZ LYS 66 HZ3 LYS 66 6.327 1.803 1.803 512 H HIS 67 HN HIS 67 10.939 -2.585 -2.585 513 HA HIS 67 HA HIS 67 10.716 -0.069 -0.069 514 1HB HIS 67 HB2 HIS 67 11.526 -2.864 -2.864 515 2HB HIS 67 HB1 HIS 67 11.279 -1.521 -1.521 516 HD1 HIS 67 HD1 HIS 67 8.967 -1.222 -1.222 517 HD2 HIS 67 HD2 HIS 67 9.037 -3.442 -3.442 518 HE1 HIS 67 HE1 HIS 67 6.588 -1.977 -1.977 519 H HIS 68 HN HIS 68 13.175 -1.855 -1.855 520 HA HIS 68 HA HIS 68 15.505 -1.655 -1.655 521 1HB HIS 68 HB2 HIS 68 15.105 1.148 1.148 522 2HB HIS 68 HB1 HIS 68 16.304 0.561 0.561 523 HD1 HIS 68 HD1 HIS 68 15.147 -0.411 -0.411 524 HD2 HIS 68 HD2 HIS 68 12.935 2.316 2.316 525 HE1 HIS 68 HE1 HIS 68 13.373 0.523 0.523 526 H ILE 69 HN ILE 69 14.293 -2.669 -2.669 527 HA ILE 69 HA ILE 69 16.615 -2.036 -2.036 528 HB ILE 69 HB ILE 69 14.126 -0.776 -0.776 529 1HG1 ILE 69 HG12 ILE 69 16.406 0.127 0.127 530 2HG1 ILE 69 HG11 ILE 69 15.481 0.271 0.271 531 1HG2 ILE 69 HG21 ILE 69 13.516 -2.866 -2.866 532 2HG2 ILE 69 HG23 ILE 69 14.963 -2.635 -2.635 533 3HG2 ILE 69 HG22 ILE 69 13.677 -1.437 -1.437 534 1HD1 ILE 69 HD13 ILE 69 16.603 -2.089 -2.089 535 2HD1 ILE 69 HD12 ILE 69 17.806 -1.518 -1.518 536 3HD1 ILE 69 HD11 ILE 69 17.473 -0.604 -0.604 537 H THR 70 HN THR 70 16.854 -3.236 -3.236 538 HA THR 70 HA THR 70 15.968 -6.047 -6.047 539 HB THR 70 HB THR 70 18.206 -6.542 -6.542 540 HG1 THR 70 HG1 THR 70 19.303 -4.504 -4.504 541 1HG2 THR 70 HG23 THR 70 18.048 -4.782 -4.782 542 2HG2 THR 70 HG22 THR 70 18.595 -3.605 -3.605 543 3HG2 THR 70 HG21 THR 70 19.633 -4.948 -4.948 544 HA PRO 71 HA PRO 71 13.745 -4.556 -4.556 545 1HB PRO 71 HB2 PRO 71 13.193 -7.375 -7.375 546 2HB PRO 71 HB1 PRO 71 12.073 -6.059 -6.059 547 1HG PRO 71 HG2 PRO 71 12.644 -8.116 -8.116 548 2HG PRO 71 HG1 PRO 71 12.121 -6.504 -6.504 549 1HD PRO 71 HD2 PRO 71 14.849 -7.703 -7.703 550 2HD PRO 71 HD1 PRO 71 14.136 -6.457 -6.457 551 H LEU 72 HN LEU 72 16.505 -6.618 -6.618 552 HA LEU 72 HA LEU 72 16.538 -7.147 -7.147 553 1HB LEU 72 HB2 LEU 72 19.132 -6.370 -6.370 554 2HB LEU 72 HB1 LEU 72 18.734 -7.776 -7.776 555 HG LEU 72 HG LEU 72 19.216 -8.593 -8.593 556 1HD1 LEU 72 HD11 LEU 72 16.263 -8.509 -8.509 557 2HD1 LEU 72 HD13 LEU 72 16.869 -9.315 -9.315 558 3HD1 LEU 72 HD12 LEU 72 17.382 -9.840 -9.840 559 1HD2 LEU 72 HD22 LEU 72 18.056 -6.091 -6.091 560 2HD2 LEU 72 HD21 LEU 72 19.099 -7.187 -7.187 561 3HD2 LEU 72 HD23 LEU 72 17.349 -7.411 -7.411 562 H LEU 73 HN LEU 73 17.107 -4.298 -4.298 563 HA LEU 73 HA LEU 73 18.164 -2.649 -2.649 564 1HB LEU 73 HB2 LEU 73 16.900 -1.987 -1.987 565 2HB LEU 73 HB1 LEU 73 17.523 -0.763 -0.763 566 HG LEU 73 HG LEU 73 19.686 -2.328 -2.328 567 1HD1 LEU 73 HD12 LEU 73 18.482 -3.948 -3.948 568 2HD1 LEU 73 HD11 LEU 73 18.487 -2.708 -2.708 569 3HD1 LEU 73 HD13 LEU 73 20.005 -3.357 -3.357 570 1HD2 LEU 73 HD22 LEU 73 18.757 -0.163 -0.163 571 2HD2 LEU 73 HD21 LEU 73 19.972 -0.083 -0.083 572 3HD2 LEU 73 HD23 LEU 73 20.324 -0.914 -0.914 573 H SER 74 HN SER 74 15.071 -3.759 -3.759 574 HA SER 74 HA SER 74 13.458 -1.684 -1.684 575 1HB SER 74 HB2 SER 74 12.627 -3.572 -3.572 576 2HB SER 74 HB1 SER 74 12.774 -4.632 -4.632 577 HG SER 74 HG SER 74 10.702 -3.300 -3.300 578 H ALA 75 HN ALA 75 14.682 -4.646 -4.646 579 HA ALA 75 HA ALA 75 13.535 -3.991 -3.991 580 1HB ALA 75 HB3 ALA 75 15.694 -5.916 -5.916 581 2HB ALA 75 HB2 ALA 75 15.243 -5.715 -5.715 582 3HB ALA 75 HB1 ALA 75 14.051 -6.283 -6.283 583 H VAL 76 HN VAL 76 16.603 -3.247 -3.247 584 HA VAL 76 HA VAL 76 18.253 -2.489 -2.489 585 HB VAL 76 HB VAL 76 17.746 -1.178 -1.178 586 1HG1 VAL 76 HG11 VAL 76 18.863 0.357 0.357 587 2HG1 VAL 76 HG13 VAL 76 20.268 -0.653 -0.653 588 3HG1 VAL 76 HG12 VAL 76 19.532 0.286 0.286 589 1HG2 VAL 76 HG22 VAL 76 18.651 -3.464 -3.464 590 2HG2 VAL 76 HG21 VAL 76 19.854 -2.319 -2.319 591 3HG2 VAL 76 HG23 VAL 76 19.958 -2.925 -2.925 592 H TYR 77 HN TYR 77 16.104 -0.098 -0.098 593 HA TYR 77 HA TYR 77 16.272 1.663 1.663 594 1HB TYR 77 HB2 TYR 77 14.058 2.004 2.004 595 2HB TYR 77 HB1 TYR 77 15.178 3.199 3.199 596 HD1 TYR 77 HD2 TYR 77 17.481 3.396 3.396 597 HD2 TYR 77 HD1 TYR 77 14.574 0.743 0.743 598 HE1 TYR 77 HE2 TYR 77 18.871 3.196 3.196 599 HE2 TYR 77 HE1 TYR 77 15.963 0.545 0.545 600 HH TYR 77 HH TYR 77 18.612 0.836 0.836 601 H GLU 78 HN GLU 78 15.409 -0.840 -0.840 602 HA GLU 78 HA GLU 78 12.569 -0.245 -0.245 603 1HB GLU 78 HB2 GLU 78 13.048 -2.250 -2.250 604 2HB GLU 78 HB1 GLU 78 13.624 -3.059 -3.059 605 1HG GLU 78 HG2 GLU 78 11.342 -3.648 -3.648 606 2HG GLU 78 HG1 GLU 78 11.393 -2.355 -2.355 607 H GLY 79 HN GLY 79 15.715 -1.516 -1.516 608 1HA GLY 79 HA2 GLY 79 16.609 -1.391 -1.391 609 2HA GLY 79 HA1 GLY 79 14.961 -1.204 -1.204 610 H HIS 80 HN HIS 80 14.579 -3.456 -3.456 611 HA HIS 80 HA HIS 80 14.503 -5.653 -5.653 612 1HB HIS 80 HB2 HIS 80 13.684 -5.236 -5.236 613 2HB HIS 80 HB1 HIS 80 13.912 -6.883 -6.883 614 HD1 HIS 80 HD1 HIS 80 11.848 -7.875 -7.875 615 HD2 HIS 80 HD2 HIS 80 11.923 -3.751 -3.751 616 HE1 HIS 80 HE1 HIS 80 9.694 -7.288 -7.288 617 H VAL 81 HN VAL 81 15.988 -5.263 -5.263 618 HA VAL 81 HA VAL 81 17.771 -6.506 -6.506 619 HB VAL 81 HB VAL 81 19.895 -5.793 -5.793 620 1HG1 VAL 81 HG11 VAL 81 19.030 -4.763 -4.763 621 2HG1 VAL 81 HG13 VAL 81 17.982 -3.739 -3.739 622 3HG1 VAL 81 HG12 VAL 81 19.733 -3.584 -3.584 623 1HG2 VAL 81 HG21 VAL 81 18.528 -5.294 -5.294 624 2HG2 VAL 81 HG23 VAL 81 19.425 -3.897 -3.897 625 3HG2 VAL 81 HG22 VAL 81 17.707 -4.027 -4.027 626 H SER 82 HN SER 82 16.258 -7.963 -7.963 627 HA SER 82 HA SER 82 18.366 -9.847 -9.847 628 1HB SER 82 HB2 SER 82 15.859 -9.107 -9.107 629 2HB SER 82 HB1 SER 82 15.566 -10.692 -10.692 630 HG SER 82 HG SER 82 17.493 -9.947 -9.947 631 H CYS 83 HN CYS 83 16.072 -9.188 -9.188 632 HA CYS 83 HA CYS 83 15.993 -11.875 -11.875 633 1HB CYS 83 HB2 CYS 83 14.946 -10.392 -10.392 634 2HB CYS 83 HB1 CYS 83 14.020 -10.746 -10.746 635 HG CYS 83 HG CYS 83 15.660 -8.094 -8.094 636 H VAL 84 HN VAL 84 17.253 -8.680 -8.680 637 HA VAL 84 HA VAL 84 18.592 -9.282 -9.282 638 HB VAL 84 HB VAL 84 20.397 -7.742 -7.742 639 1HG1 VAL 84 HG11 VAL 84 18.182 -6.874 -6.874 640 2HG1 VAL 84 HG13 VAL 84 17.669 -6.829 -6.829 641 3HG1 VAL 84 HG12 VAL 84 18.986 -5.794 -5.794 642 1HG2 VAL 84 HG23 VAL 84 19.186 -8.335 -8.335 643 2HG2 VAL 84 HG22 VAL 84 20.881 -8.251 -8.251 644 3HG2 VAL 84 HG21 VAL 84 19.952 -6.775 -6.775 645 H LYS 85 HN LYS 85 19.675 -10.051 -10.051 646 HA LYS 85 HA LYS 85 22.200 -11.114 -11.114 647 1HB LYS 85 HB2 LYS 85 20.078 -11.905 -11.905 648 2HB LYS 85 HB1 LYS 85 21.721 -12.495 -12.495 649 1HG LYS 85 HG2 LYS 85 21.827 -9.647 -9.647 650 2HG LYS 85 HG1 LYS 85 20.697 -10.019 -10.019 651 1HD LYS 85 HD2 LYS 85 22.812 -9.855 -9.855 652 2HD LYS 85 HD1 LYS 85 22.522 -11.587 -11.587 653 1HE LYS 85 HE2 LYS 85 24.812 -11.072 -11.072 654 2HE LYS 85 HE1 LYS 85 23.880 -11.609 -11.609 655 1HZ LYS 85 HZ1 LYS 85 24.188 -8.749 -8.749 656 2HZ LYS 85 HZ3 LYS 85 25.277 -9.555 -9.555 657 3HZ LYS 85 HZ2 LYS 85 23.643 -9.415 -9.415 658 H LEU 86 HN LEU 86 19.604 -13.414 -13.414 659 HA LEU 86 HA LEU 86 20.820 -15.483 -15.483 660 1HB LEU 86 HB2 LEU 86 18.717 -16.753 -16.753 661 2HB LEU 86 HB1 LEU 86 19.312 -16.132 -16.132 662 HG LEU 86 HG LEU 86 16.880 -15.905 -15.905 663 1HD1 LEU 86 HD12 LEU 86 18.429 -14.162 -14.162 664 2HD1 LEU 86 HD11 LEU 86 17.917 -13.105 -13.105 665 3HD1 LEU 86 HD13 LEU 86 16.721 -13.796 -13.796 666 1HD2 LEU 86 HD22 LEU 86 17.022 -15.515 -15.515 667 2HD2 LEU 86 HD21 LEU 86 15.782 -14.665 -14.665 668 3HD2 LEU 86 HD23 LEU 86 17.232 -13.816 -13.816 669 H LEU 87 HN LEU 87 19.387 -12.764 -12.764 670 HA LEU 87 HA LEU 87 17.901 -13.890 -13.890 671 1HB LEU 87 HB2 LEU 87 18.317 -11.341 -11.341 672 2HB LEU 87 HB1 LEU 87 19.134 -11.284 -11.284 673 HG LEU 87 HG LEU 87 16.312 -12.265 -12.265 674 1HD1 LEU 87 HD11 LEU 87 17.442 -9.590 -9.590 675 2HD1 LEU 87 HD13 LEU 87 15.847 -10.090 -10.090 676 3HD1 LEU 87 HD12 LEU 87 16.167 -9.947 -9.947 677 1HD2 LEU 87 HD22 LEU 87 18.087 -11.903 -11.903 678 2HD2 LEU 87 HD21 LEU 87 17.137 -13.309 -13.309 679 3HD2 LEU 87 HD23 LEU 87 16.329 -11.876 -11.876 680 H LEU 88 HN LEU 88 21.207 -13.429 -13.429 681 HA LEU 88 HA LEU 88 22.195 -13.517 -13.517 682 1HB LEU 88 HB2 LEU 88 23.609 -14.214 -14.214 683 2HB LEU 88 HB1 LEU 88 24.377 -13.871 -13.871 684 HG LEU 88 HG LEU 88 22.508 -11.825 -11.825 685 1HD1 LEU 88 HD13 LEU 88 25.254 -12.518 -12.518 686 2HD1 LEU 88 HD12 LEU 88 24.578 -10.902 -10.902 687 3HD1 LEU 88 HD11 LEU 88 23.765 -12.272 -12.272 688 1HD2 LEU 88 HD22 LEU 88 23.588 -11.617 -11.617 689 2HD2 LEU 88 HD21 LEU 88 24.140 -10.351 -10.351 690 3HD2 LEU 88 HD23 LEU 88 25.172 -11.736 -11.736 691 H SER 89 HN SER 89 21.263 -15.763 -15.763 692 HA SER 89 HA SER 89 22.693 -18.038 -18.038 693 1HB SER 89 HB2 SER 89 21.199 -18.090 -18.090 694 2HB SER 89 HB1 SER 89 19.799 -17.842 -17.842 695 HG SER 89 HG SER 89 21.327 -19.920 -19.920 696 H LYS 90 HN LYS 90 20.640 -16.115 -16.115 697 HA LYS 90 HA LYS 90 20.158 -18.220 -18.220 698 1HB LYS 90 HB2 LYS 90 18.625 -15.794 -15.794 699 2HB LYS 90 HB1 LYS 90 18.405 -16.398 -16.398 700 1HG LYS 90 HG2 LYS 90 16.765 -17.567 -17.567 701 2HG LYS 90 HG1 LYS 90 18.075 -18.720 -18.720 702 1HD LYS 90 HD2 LYS 90 17.451 -18.748 -18.748 703 2HD LYS 90 HD1 LYS 90 18.663 -17.473 -17.473 704 1HE LYS 90 HE2 LYS 90 16.864 -15.778 -15.778 705 2HE LYS 90 HE1 LYS 90 15.666 -17.073 -17.073 706 1HZ LYS 90 HZ2 LYS 90 17.609 -16.849 -16.849 707 2HZ LYS 90 HZ1 LYS 90 16.243 -15.840 -15.840 708 3HZ LYS 90 HZ3 LYS 90 16.050 -17.526 -17.526 709 H GLY 91 HN GLY 91 21.775 -15.282 -15.282 710 1HA GLY 91 HA2 GLY 91 23.666 -14.721 -14.721 711 2HA GLY 91 HA1 GLY 91 22.476 -14.850 -14.850 712 H ALA 92 HN ALA 92 20.856 -13.236 -13.236 713 HA ALA 92 HA ALA 92 20.076 -11.029 -11.029 714 1HB ALA 92 HB3 ALA 92 20.215 -12.040 -12.040 715 2HB ALA 92 HB2 ALA 92 20.583 -10.323 -10.323 716 3HB ALA 92 HB1 ALA 92 19.068 -10.884 -10.884 717 H ASP 93 HN ASP 93 23.356 -11.609 -11.609 718 HA ASP 93 HA ASP 93 25.202 -10.122 -10.122 719 1HB ASP 93 HB2 ASP 93 24.280 -10.057 -10.057 720 2HB ASP 93 HB1 ASP 93 23.819 -8.414 -8.414 721 H LYS 94 HN LYS 94 24.234 -7.122 -7.122 722 HA LYS 94 HA LYS 94 22.713 -6.318 -6.318 723 1HB LYS 94 HB2 LYS 94 24.377 -5.034 -5.034 724 2HB LYS 94 HB1 LYS 94 24.989 -6.673 -6.673 725 1HG LYS 94 HG2 LYS 94 25.707 -4.499 -4.499 726 2HG LYS 94 HG1 LYS 94 26.611 -4.727 -4.727 727 1HD LYS 94 HD2 LYS 94 27.760 -6.430 -6.430 728 2HD LYS 94 HD1 LYS 94 26.269 -7.292 -7.292 729 1HE LYS 94 HE2 LYS 94 26.062 -6.258 -6.258 730 2HE LYS 94 HE1 LYS 94 27.270 -5.038 -5.038 731 1HZ LYS 94 HZ2 LYS 94 28.153 -7.796 -7.796 732 2HZ LYS 94 HZ1 LYS 94 27.805 -7.247 -7.247 733 3HZ LYS 94 HZ3 LYS 94 28.957 -6.436 -6.436 734 H THR 95 HN THR 95 24.614 -5.470 -5.470 735 HA THR 95 HA THR 95 22.861 -3.080 -3.080 736 HB THR 95 HB THR 95 25.766 -3.130 -3.130 737 HG1 THR 95 HG1 THR 95 26.010 -1.761 -1.761 738 1HG2 THR 95 HG23 THR 95 24.039 -1.508 -1.508 739 2HG2 THR 95 HG22 THR 95 23.975 -0.785 -0.785 740 3HG2 THR 95 HG21 THR 95 25.488 -0.785 -0.785 741 H VAL 96 HN VAL 96 22.358 -5.613 -5.613 742 HA VAL 96 HA VAL 96 23.566 -5.944 -5.944 743 HB VAL 96 HB VAL 96 21.488 -7.276 -7.276 744 1HG1 VAL 96 HG11 VAL 96 21.460 -7.460 -7.460 745 2HG1 VAL 96 HG13 VAL 96 20.700 -8.637 -8.637 746 3HG1 VAL 96 HG12 VAL 96 20.128 -6.971 -6.971 747 1HG2 VAL 96 HG21 VAL 96 24.003 -7.895 -7.895 748 2HG2 VAL 96 HG23 VAL 96 22.791 -9.172 -9.172 749 3HG2 VAL 96 HG22 VAL 96 23.345 -8.607 -8.607 750 H LYS 97 HN LYS 97 21.201 -3.750 -3.750 751 HA LYS 97 HA LYS 97 20.717 -2.898 -2.898 752 1HB LYS 97 HB2 LYS 97 18.974 -4.822 -4.822 753 2HB LYS 97 HB1 LYS 97 18.113 -3.350 -3.350 754 1HG LYS 97 HG2 LYS 97 17.381 -3.664 -3.664 755 2HG LYS 97 HG1 LYS 97 18.742 -2.575 -2.575 756 1HD LYS 97 HD2 LYS 97 20.192 -4.439 -4.439 757 2HD LYS 97 HD1 LYS 97 18.926 -5.599 -5.599 758 1HE LYS 97 HE2 LYS 97 18.803 -3.528 -3.528 759 2HE LYS 97 HE1 LYS 97 19.006 -5.267 -5.267 760 1HZ LYS 97 HZ3 LYS 97 16.847 -5.536 -5.536 761 2HZ LYS 97 HZ2 LYS 97 16.646 -3.851 -3.851 762 3HZ LYS 97 HZ1 LYS 97 16.727 -4.766 -4.766 763 H GLY 98 HN GLY 98 20.935 -2.172 -2.172 764 1HA GLY 98 HA2 GLY 98 19.148 0.131 0.131 765 2HA GLY 98 HA1 GLY 98 20.423 -0.200 -0.200 766 HA PRO 99 HA PRO 99 21.334 3.514 3.514 767 1HB PRO 99 HB2 PRO 99 22.441 4.375 4.375 768 2HB PRO 99 HB1 PRO 99 21.500 5.306 5.306 769 1HG PRO 99 HG2 PRO 99 20.477 4.237 4.237 770 2HG PRO 99 HG1 PRO 99 19.498 4.698 4.698 771 1HD PRO 99 HD2 PRO 99 20.022 2.015 2.015 772 2HD PRO 99 HD1 PRO 99 18.933 2.504 2.504 773 H ASP 100 HN ASP 100 23.486 2.954 2.954 774 HA ASP 100 HA ASP 100 25.385 1.381 1.381 775 1HB ASP 100 HB2 ASP 100 25.705 3.702 3.702 776 2HB ASP 100 HB1 ASP 100 26.188 4.239 4.239 777 H GLY 101 HN GLY 101 27.081 3.462 3.462 778 1HA GLY 101 HA2 GLY 101 27.594 1.541 1.541 779 2HA GLY 101 HA1 GLY 101 27.855 3.270 3.270 780 H LEU 102 HN LEU 102 24.639 3.139 3.139 781 HA LEU 102 HA LEU 102 23.787 3.870 3.870 782 1HB LEU 102 HB2 LEU 102 22.363 3.960 3.960 783 2HB LEU 102 HB1 LEU 102 21.946 2.283 2.283 784 HG LEU 102 HG LEU 102 21.444 4.678 4.678 785 1HD1 LEU 102 HD12 LEU 102 19.732 2.914 2.914 786 2HD1 LEU 102 HD11 LEU 102 19.055 3.544 3.544 787 3HD1 LEU 102 HD13 LEU 102 19.631 4.657 4.657 788 1HD2 LEU 102 HD22 LEU 102 21.151 1.742 1.742 789 2HD2 LEU 102 HD21 LEU 102 22.017 2.965 2.965 790 3HD2 LEU 102 HD23 LEU 102 20.265 2.977 2.977 791 H THR 103 HN THR 103 22.592 0.771 0.771 792 HA THR 103 HA THR 103 21.983 -0.990 -0.990 793 HB THR 103 HB THR 103 23.871 -1.973 -1.973 794 HG1 THR 103 HG1 THR 103 25.071 -2.861 -2.861 795 1HG2 THR 103 HG22 THR 103 25.537 0.036 0.036 796 2HG2 THR 103 HG21 THR 103 26.195 -1.244 -1.244 797 3HG2 THR 103 HG23 THR 103 25.221 0.037 0.037 798 H ALA 104 HN ALA 104 24.578 -1.096 -1.096 799 HA ALA 104 HA ALA 104 22.990 0.037 0.037 800 1HB ALA 104 HB1 ALA 104 25.486 -1.611 -1.611 801 2HB ALA 104 HB3 ALA 104 24.933 -0.985 -0.985 802 3HB ALA 104 HB2 ALA 104 23.916 -2.091 -2.091 803 H LEU 105 HN LEU 105 25.963 0.889 0.889 804 HA LEU 105 HA LEU 105 27.199 2.499 2.499 805 1HB LEU 105 HB2 LEU 105 27.123 3.339 3.339 806 2HB LEU 105 HB1 LEU 105 28.422 3.485 3.485 807 HG LEU 105 HG LEU 105 27.407 0.908 0.908 808 1HD1 LEU 105 HD13 LEU 105 28.786 2.479 2.479 809 2HD1 LEU 105 HD12 LEU 105 30.092 2.283 2.283 810 3HD1 LEU 105 HD11 LEU 105 29.511 0.892 0.892 811 1HD2 LEU 105 HD22 LEU 105 29.548 1.506 1.506 812 2HD2 LEU 105 HD21 LEU 105 28.136 0.470 0.470 813 3HD2 LEU 105 HD23 LEU 105 29.448 -0.025 -0.025 814 H GLU 106 HN GLU 106 25.250 3.877 3.877 815 HA GLU 106 HA GLU 106 25.104 6.382 6.382 816 1HB GLU 106 HB2 GLU 106 24.879 7.118 7.118 817 2HB GLU 106 HB1 GLU 106 24.679 5.487 5.487 818 1HG GLU 106 HG2 GLU 106 22.239 5.651 5.651 819 2HG GLU 106 HG1 GLU 106 22.506 7.348 7.348 820 H ALA 107 HN ALA 107 23.387 3.547 3.547 821 HA ALA 107 HA ALA 107 20.723 4.576 4.576 822 1HB ALA 107 HB3 ALA 107 22.076 2.053 2.053 823 2HB ALA 107 HB2 ALA 107 20.370 2.390 2.390 824 3HB ALA 107 HB1 ALA 107 20.979 2.245 2.245 825 H THR 108 HN THR 108 23.246 3.772 3.772 826 HA THR 108 HA THR 108 21.890 5.697 5.697 827 HB THR 108 HB THR 108 20.625 3.558 3.558 828 HG1 THR 108 HG1 THR 108 21.850 3.612 3.612 829 1HG2 THR 108 HG23 THR 108 22.904 2.298 2.298 830 2HG2 THR 108 HG22 THR 108 23.022 2.392 2.392 831 3HG2 THR 108 HG21 THR 108 21.659 1.570 1.570 832 H ASP 109 HN ASP 109 22.835 4.400 4.400 833 HA ASP 109 HA ASP 109 25.761 4.384 4.384 834 1HB ASP 109 HB2 ASP 109 25.004 6.769 6.769 835 2HB ASP 109 HB1 ASP 109 24.361 6.181 6.181 836 H ASN 110 HN ASN 110 22.905 3.070 3.070 837 HA ASN 110 HA ASN 110 24.004 2.218 2.218 838 1HB ASN 110 HB2 ASN 110 22.035 0.818 0.818 839 2HB ASN 110 HB1 ASN 110 21.511 2.389 2.389 840 1HD2 ASN 110 HD21 ASN 110 22.860 1.369 1.369 841 2HD2 ASN 110 HD22 ASN 110 21.612 0.468 0.468 842 H GLN 111 HN GLN 111 25.135 0.345 0.345 843 HA GLN 111 HA GLN 111 26.499 -0.698 -0.698 844 1HB GLN 111 HB2 GLN 111 27.702 -0.444 -0.444 845 2HB GLN 111 HB1 GLN 111 26.521 -1.353 -1.353 846 1HG GLN 111 HG2 GLN 111 27.225 -3.412 -3.412 847 2HG GLN 111 HG1 GLN 111 28.039 -2.643 -2.643 848 1HE2 GLN 111 HE21 GLN 111 28.262 -1.664 -1.664 849 2HE2 GLN 111 HE22 GLN 111 29.928 -1.961 -1.961 850 H ALA 112 HN ALA 112 23.420 -1.580 -1.580 851 HA ALA 112 HA ALA 112 23.801 -4.484 -4.484 852 1HB ALA 112 HB2 ALA 112 21.932 -3.603 -3.603 853 2HB ALA 112 HB1 ALA 112 21.255 -2.849 -2.849 854 3HB ALA 112 HB3 ALA 112 21.351 -4.608 -4.608 855 H ILE 113 HN ILE 113 22.596 -1.776 -1.776 856 HA ILE 113 HA ILE 113 21.928 -3.108 -3.108 857 HB ILE 113 HB ILE 113 22.537 -0.339 -0.339 858 1HG1 ILE 113 HG12 ILE 113 20.334 0.039 0.039 859 2HG1 ILE 113 HG11 ILE 113 20.219 -1.710 -1.710 860 1HG2 ILE 113 HG22 ILE 113 22.671 -1.205 -1.205 861 2HG2 ILE 113 HG21 ILE 113 22.112 0.411 0.411 862 3HG2 ILE 113 HG23 ILE 113 23.726 -0.100 -0.100 863 1HD1 ILE 113 HD12 ILE 113 20.840 -1.238 -1.238 864 2HD1 ILE 113 HD11 ILE 113 19.842 0.160 0.160 865 3HD1 ILE 113 HD13 ILE 113 19.209 -1.470 -1.470 866 H LYS 114 HN LYS 114 24.663 -1.281 -1.281 867 HA LYS 114 HA LYS 114 26.327 -1.540 -1.540 868 1HB LYS 114 HB2 LYS 114 27.221 -1.462 -1.462 869 2HB LYS 114 HB1 LYS 114 28.111 -0.876 -0.876 870 1HG LYS 114 HG2 LYS 114 25.406 0.234 0.234 871 2HG LYS 114 HG1 LYS 114 26.914 0.930 0.930 872 1HD LYS 114 HD2 LYS 114 27.585 1.170 1.170 873 2HD LYS 114 HD1 LYS 114 25.949 0.677 0.677 874 1HE LYS 114 HE2 LYS 114 25.164 2.586 2.586 875 2HE LYS 114 HE1 LYS 114 26.822 3.168 3.168 876 1HZ LYS 114 HZ2 LYS 114 26.429 2.843 2.843 877 2HZ LYS 114 HZ1 LYS 114 24.791 2.984 2.984 878 3HZ LYS 114 HZ3 LYS 114 25.869 4.246 4.246 879 H ALA 115 HN ALA 115 25.101 -3.916 -3.916 880 HA ALA 115 HA ALA 115 27.278 -5.790 -5.790 881 1HB ALA 115 HB1 ALA 115 25.147 -5.941 -5.941 882 2HB ALA 115 HB3 ALA 115 24.346 -6.556 -6.556 883 3HB ALA 115 HB2 ALA 115 25.700 -7.438 -7.438 884 H LEU 116 HN LEU 116 24.587 -4.996 -4.996 885 HA LEU 116 HA LEU 116 25.229 -7.192 -7.192 886 1HB LEU 116 HB2 LEU 116 23.336 -4.934 -4.934 887 2HB LEU 116 HB1 LEU 116 23.984 -5.336 -5.336 888 HG LEU 116 HG LEU 116 22.584 -7.239 -7.239 889 1HD1 LEU 116 HD11 LEU 116 21.840 -5.991 -5.991 890 2HD1 LEU 116 HD13 LEU 116 21.036 -7.434 -7.434 891 3HD1 LEU 116 HD12 LEU 116 20.957 -5.920 -5.920 892 1HD2 LEU 116 HD23 LEU 116 24.350 -7.723 -7.723 893 2HD2 LEU 116 HD22 LEU 116 23.896 -8.804 -8.804 894 3HD2 LEU 116 HD21 LEU 116 22.813 -8.582 -8.582 895 H LEU 117 HN LEU 117 26.657 -4.096 -4.096 896 HA LEU 117 HA LEU 117 27.869 -3.954 -3.954 897 1HB LEU 117 HB2 LEU 117 28.331 -1.818 -1.818 898 2HB LEU 117 HB1 LEU 117 27.351 -2.106 -2.106 899 HG LEU 117 HG LEU 117 29.555 -2.934 -2.934 900 1HD1 LEU 117 HD12 LEU 117 30.549 -2.280 -2.280 901 2HD1 LEU 117 HD11 LEU 117 31.176 -1.070 -1.070 902 3HD1 LEU 117 HD13 LEU 117 31.474 -2.777 -2.777 903 1HD2 LEU 117 HD21 LEU 117 28.215 -0.664 -0.664 904 2HD2 LEU 117 HD23 LEU 117 29.820 -0.793 -0.793 905 3HD2 LEU 117 HD22 LEU 117 29.590 0.009 0.009 906 H GLN 118 HN GLN 118 28.225 -5.996 -5.996 907 HA GLN 118 HA GLN 118 31.056 -6.154 -6.154 908 1HB GLN 118 HB2 GLN 118 30.606 -8.230 -8.230 909 2HB GLN 118 HB1 GLN 118 29.178 -7.251 -7.251 910 1HG GLN 118 HG2 GLN 118 28.214 -9.257 -9.257 911 2HG GLN 118 HG1 GLN 118 28.283 -8.352 -8.352 912 1HE2 GLN 118 HE21 GLN 118 29.182 -9.526 -9.526 913 2HE2 GLN 118 HE22 GLN 118 30.305 -10.789 -10.789 Start of MODEL 9 1 1H MET 1 HT3 MET 1 -13.046 -10.084 -10.084 2 2H MET 1 HT2 MET 1 -13.049 -9.740 -9.740 3 3H MET 1 HT1 MET 1 -11.693 -9.354 -9.354 4 HA MET 1 HA MET 1 -11.273 -11.333 -11.333 5 1HB MET 1 HB2 MET 1 -12.624 -13.396 -13.396 6 2HB MET 1 HB1 MET 1 -13.447 -12.243 -12.243 7 1HG MET 1 HG2 MET 1 -14.608 -11.253 -11.253 8 2HG MET 1 HG1 MET 1 -13.641 -12.166 -12.166 9 1HE MET 1 HE1 MET 1 -16.800 -11.859 -11.859 10 2HE MET 1 HE3 MET 1 -17.252 -13.463 -13.463 11 3HE MET 1 HE2 MET 1 -15.909 -12.594 -12.594 12 H CYS 2 HN CYS 2 -9.640 -10.456 -10.456 13 HA CYS 2 HA CYS 2 -9.111 -12.646 -12.646 14 1HB CYS 2 HB2 CYS 2 -9.395 -9.765 -9.765 15 2HB CYS 2 HB1 CYS 2 -8.769 -11.082 -11.082 16 HG CYS 2 HG CYS 2 -11.260 -12.212 -12.212 17 H ASP 3 HN ASP 3 -7.585 -9.598 -9.598 18 HA ASP 3 HA ASP 3 -4.996 -10.659 -10.659 19 1HB ASP 3 HB2 ASP 3 -5.860 -7.813 -7.813 20 2HB ASP 3 HB1 ASP 3 -4.185 -8.352 -8.352 21 H LYS 4 HN LYS 4 -7.163 -8.338 -8.338 22 HA LYS 4 HA LYS 4 -5.601 -7.378 -7.378 23 1HB LYS 4 HB2 LYS 4 -8.415 -8.373 -8.373 24 2HB LYS 4 HB1 LYS 4 -7.601 -7.001 -7.001 25 1HG LYS 4 HG2 LYS 4 -7.398 -6.104 -6.104 26 2HG LYS 4 HG1 LYS 4 -8.702 -7.242 -7.242 27 1HD LYS 4 HD2 LYS 4 -8.796 -5.121 -5.121 28 2HD LYS 4 HD1 LYS 4 -9.532 -4.952 -4.952 29 1HE LYS 4 HE2 LYS 4 -10.826 -7.077 -7.077 30 2HE LYS 4 HE1 LYS 4 -10.231 -6.978 -6.978 31 1HZ LYS 4 HZ2 LYS 4 -11.573 -4.677 -4.677 32 2HZ LYS 4 HZ1 LYS 4 -12.478 -5.918 -5.918 33 3HZ LYS 4 HZ3 LYS 4 -11.380 -5.018 -5.018 34 H GLU 5 HN GLU 5 -7.395 -10.487 -10.487 35 HA GLU 5 HA GLU 5 -6.423 -11.266 -11.266 36 1HB GLU 5 HB2 GLU 5 -8.343 -12.261 -12.261 37 2HB GLU 5 HB1 GLU 5 -7.058 -13.298 -13.298 38 1HG GLU 5 HG2 GLU 5 -7.803 -12.983 -12.983 39 2HG GLU 5 HG1 GLU 5 -8.228 -14.358 -14.358 40 H PHE 6 HN PHE 6 -5.286 -12.166 -12.166 41 HA PHE 6 HA PHE 6 -3.061 -13.740 -13.740 42 1HB PHE 6 HB2 PHE 6 -3.816 -13.971 -13.971 43 2HB PHE 6 HB1 PHE 6 -3.628 -12.246 -12.246 44 HD1 PHE 6 HD2 PHE 6 -1.673 -15.293 -15.293 45 HD2 PHE 6 HD1 PHE 6 -1.622 -11.422 -11.422 46 HE1 PHE 6 HE2 PHE 6 0.654 -15.691 -15.691 47 HE2 PHE 6 HE1 PHE 6 0.703 -11.818 -11.818 48 HZ PHE 6 HZ PHE 6 1.842 -13.953 -13.953 49 H MET 7 HN MET 7 -3.406 -10.291 -10.291 50 HA MET 7 HA MET 7 -0.561 -9.751 -9.751 51 1HB MET 7 HB2 MET 7 -1.532 -8.228 -8.228 52 2HB MET 7 HB1 MET 7 -3.024 -8.136 -8.136 53 1HG MET 7 HG2 MET 7 -2.046 -6.715 -6.715 54 2HG MET 7 HG1 MET 7 -0.411 -7.086 -7.086 55 1HE MET 7 HE2 MET 7 -3.831 -6.053 -6.053 56 2HE MET 7 HE1 MET 7 -3.444 -4.977 -4.977 57 3HE MET 7 HE3 MET 7 -3.053 -6.699 -6.699 58 H TRP 8 HN TRP 8 -3.490 -8.819 -8.819 59 HA TRP 8 HA TRP 8 -2.196 -7.597 -7.597 60 1HB TRP 8 HB2 TRP 8 -4.709 -7.821 -7.821 61 2HB TRP 8 HB1 TRP 8 -4.601 -9.393 -9.393 62 HD1 TRP 8 HD1 TRP 8 -4.699 -9.416 -9.416 63 HE1 TRP 8 HE1 TRP 8 -4.637 -7.623 -7.623 64 HE3 TRP 8 HE3 TRP 8 -3.581 -5.293 -5.293 65 HZ2 TRP 8 HZ2 TRP 8 -4.174 -4.811 -4.811 66 HZ3 TRP 8 HZ3 TRP 8 -3.335 -3.073 -3.073 67 HH2 TRP 8 HH2 TRP 8 -3.630 -2.827 -2.827 68 H ALA 9 HN ALA 9 -1.740 -10.734 -10.734 69 HA ALA 9 HA ALA 9 -1.313 -11.915 -11.915 70 1HB ALA 9 HB3 ALA 9 -0.943 -12.924 -12.924 71 2HB ALA 9 HB2 ALA 9 -0.430 -13.856 -13.856 72 3HB ALA 9 HB1 ALA 9 -2.132 -13.445 -13.445 73 H LEU 10 HN LEU 10 0.654 -10.847 -10.847 74 HA LEU 10 HA LEU 10 3.225 -11.512 -11.512 75 1HB LEU 10 HB2 LEU 10 2.531 -8.839 -8.839 76 2HB LEU 10 HB1 LEU 10 4.067 -9.688 -9.688 77 HG LEU 10 HG LEU 10 1.706 -11.173 -11.173 78 1HD1 LEU 10 HD11 LEU 10 1.338 -8.793 -8.793 79 2HD1 LEU 10 HD13 LEU 10 2.920 -8.852 -8.852 80 3HD1 LEU 10 HD12 LEU 10 1.629 -9.921 -9.921 81 1HD2 LEU 10 HD22 LEU 10 4.121 -11.934 -11.934 82 2HD2 LEU 10 HD21 LEU 10 3.333 -11.881 -11.881 83 3HD2 LEU 10 HD23 LEU 10 4.439 -10.594 -10.594 84 H LYS 11 HN LYS 11 0.923 -9.257 -9.257 85 HA LYS 11 HA LYS 11 2.692 -7.488 -7.488 86 1HB LYS 11 HB2 LYS 11 0.566 -6.689 -6.689 87 2HB LYS 11 HB1 LYS 11 -0.290 -7.947 -7.947 88 1HG LYS 11 HG2 LYS 11 0.213 -6.979 -6.979 89 2HG LYS 11 HG1 LYS 11 1.482 -5.962 -5.962 90 1HD LYS 11 HD2 LYS 11 -0.103 -4.589 -4.589 91 2HD LYS 11 HD1 LYS 11 -1.416 -5.721 -5.721 92 1HE LYS 11 HE2 LYS 11 -1.471 -3.750 -3.750 93 2HE LYS 11 HE1 LYS 11 -1.260 -5.268 -5.268 94 1HZ LYS 11 HZ2 LYS 11 0.936 -3.435 -3.435 95 2HZ LYS 11 HZ1 LYS 11 0.271 -3.544 -3.544 96 3HZ LYS 11 HZ3 LYS 11 1.101 -4.867 -4.867 97 H ASN 12 HN ASN 12 0.011 -9.295 -9.295 98 HA ASN 12 HA ASN 12 1.327 -9.287 -9.287 99 1HB ASN 12 HB2 ASN 12 -1.281 -10.060 -10.060 100 2HB ASN 12 HB1 ASN 12 -0.782 -11.013 -11.013 101 1HD2 ASN 12 HD21 ASN 12 -1.387 -7.654 -7.654 102 2HD2 ASN 12 HD22 ASN 12 -1.618 -7.029 -7.029 103 H GLY 13 HN GLY 13 2.751 -10.785 -10.785 104 1HA GLY 13 HA2 GLY 13 3.878 -12.814 -12.814 105 2HA GLY 13 HA1 GLY 13 3.687 -12.944 -12.944 106 H ASP 14 HN ASP 14 0.820 -12.755 -12.755 107 HA ASP 14 HA ASP 14 -0.083 -15.324 -15.324 108 1HB ASP 14 HB2 ASP 14 -1.288 -14.063 -14.063 109 2HB ASP 14 HB1 ASP 14 -2.059 -14.866 -14.866 110 H LEU 15 HN LEU 15 2.299 -15.680 -15.680 111 HA LEU 15 HA LEU 15 2.894 -16.269 -16.269 112 1HB LEU 15 HB2 LEU 15 4.400 -16.493 -16.493 113 2HB LEU 15 HB1 LEU 15 3.532 -17.945 -17.945 114 HG LEU 15 HG LEU 15 5.746 -18.225 -18.225 115 1HD1 LEU 15 HD13 LEU 15 3.580 -19.835 -19.835 116 2HD1 LEU 15 HD12 LEU 15 3.685 -19.738 -19.738 117 3HD1 LEU 15 HD11 LEU 15 5.062 -20.313 -20.313 118 1HD2 LEU 15 HD23 LEU 15 4.979 -16.502 -16.502 119 2HD2 LEU 15 HD22 LEU 15 5.754 -17.972 -17.972 120 3HD2 LEU 15 HD21 LEU 15 4.000 -17.809 -17.809 121 H ASP 16 HN ASP 16 0.762 -18.083 -18.083 122 HA ASP 16 HA ASP 16 0.541 -20.446 -20.446 123 1HB ASP 16 HB2 ASP 16 -1.455 -19.123 -19.123 124 2HB ASP 16 HB1 ASP 16 -1.557 -20.779 -20.779 125 H GLU 17 HN GLU 17 -0.936 -17.278 -17.278 126 HA GLU 17 HA GLU 17 -3.008 -18.100 -18.100 127 1HB GLU 17 HB2 GLU 17 -2.079 -15.504 -15.504 128 2HB GLU 17 HB1 GLU 17 -3.142 -15.485 -15.485 129 1HG GLU 17 HG2 GLU 17 -4.331 -15.417 -15.417 130 2HG GLU 17 HG1 GLU 17 -4.847 -16.707 -16.707 131 H VAL 18 HN VAL 18 0.046 -16.207 -16.207 132 HA VAL 18 HA VAL 18 -0.203 -15.869 -15.869 133 HB VAL 18 HB VAL 18 2.521 -15.984 -15.984 134 1HG1 VAL 18 HG11 VAL 18 1.104 -14.061 -14.061 135 2HG1 VAL 18 HG13 VAL 18 0.875 -13.590 -13.590 136 3HG1 VAL 18 HG12 VAL 18 2.491 -13.598 -13.598 137 1HG2 VAL 18 HG21 VAL 18 1.814 -16.555 -16.555 138 2HG2 VAL 18 HG23 VAL 18 3.149 -15.448 -15.448 139 3HG2 VAL 18 HG22 VAL 18 1.563 -14.811 -14.811 140 H LYS 19 HN LYS 19 1.114 -18.333 -18.333 141 HA LYS 19 HA LYS 19 2.420 -19.960 -19.960 142 1HB LYS 19 HB2 LYS 19 2.898 -20.364 -20.364 143 2HB LYS 19 HB1 LYS 19 1.197 -20.454 -20.454 144 1HG LYS 19 HG2 LYS 19 0.951 -22.591 -22.591 145 2HG LYS 19 HG1 LYS 19 2.523 -22.461 -22.461 146 1HD LYS 19 HD2 LYS 19 2.226 -22.423 -22.423 147 2HD LYS 19 HD1 LYS 19 2.438 -23.922 -23.922 148 1HE LYS 19 HE2 LYS 19 4.428 -22.260 -22.260 149 2HE LYS 19 HE1 LYS 19 4.422 -21.889 -21.889 150 1HZ LYS 19 HZ3 LYS 19 4.236 -24.701 -24.701 151 2HZ LYS 19 HZ2 LYS 19 5.724 -23.945 -23.945 152 3HZ LYS 19 HZ1 LYS 19 5.097 -23.955 -23.955 153 H ASP 20 HN ASP 20 -0.945 -19.735 -19.735 154 HA ASP 20 HA ASP 20 -1.856 -22.163 -22.163 155 1HB ASP 20 HB2 ASP 20 -3.315 -20.921 -20.921 156 2HB ASP 20 HB1 ASP 20 -3.290 -19.524 -19.524 157 H TYR 21 HN TYR 21 -1.971 -18.836 -18.836 158 HA TYR 21 HA TYR 21 -2.748 -19.753 -19.753 159 1HB TYR 21 HB2 TYR 21 -1.295 -17.210 -17.210 160 2HB TYR 21 HB1 TYR 21 -2.022 -17.504 -17.504 161 HD1 TYR 21 HD1 TYR 21 -2.788 -17.256 -17.256 162 HD2 TYR 21 HD2 TYR 21 -4.348 -17.173 -17.173 163 HE1 TYR 21 HE1 TYR 21 -4.977 -16.484 -16.484 164 HE2 TYR 21 HE2 TYR 21 -6.539 -16.403 -16.403 165 HH TYR 21 HH TYR 21 -7.779 -16.112 -16.112 166 H VAL 22 HN VAL 22 0.457 -18.878 -18.878 167 HA VAL 22 HA VAL 22 1.868 -19.533 -19.533 168 HB VAL 22 HB VAL 22 2.776 -19.167 -19.167 169 1HG1 VAL 22 HG13 VAL 22 4.371 -19.831 -19.831 170 2HG1 VAL 22 HG12 VAL 22 5.089 -19.068 -19.068 171 3HG1 VAL 22 HG11 VAL 22 4.383 -20.680 -20.680 172 1HG2 VAL 22 HG22 VAL 22 1.934 -17.236 -17.236 173 2HG2 VAL 22 HG21 VAL 22 3.551 -17.047 -17.047 174 3HG2 VAL 22 HG23 VAL 22 3.354 -17.526 -17.526 175 H ALA 23 HN ALA 23 0.646 -21.461 -21.461 176 HA ALA 23 HA ALA 23 2.372 -23.734 -23.734 177 1HB ALA 23 HB1 ALA 23 -0.426 -23.361 -23.361 178 2HB ALA 23 HB3 ALA 23 0.251 -24.979 -24.979 179 3HB ALA 23 HB2 ALA 23 1.033 -23.811 -23.811 180 H LYS 24 HN LYS 24 -0.115 -22.342 -22.342 181 HA LYS 24 HA LYS 24 -1.216 -24.498 -24.498 182 1HB LYS 24 HB2 LYS 24 -2.009 -22.159 -22.159 183 2HB LYS 24 HB1 LYS 24 -0.537 -21.696 -21.696 184 1HG LYS 24 HG2 LYS 24 -2.243 -21.930 -21.930 185 2HG LYS 24 HG1 LYS 24 -1.152 -23.297 -23.297 186 1HD LYS 24 HD2 LYS 24 -3.560 -23.940 -23.940 187 2HD LYS 24 HD1 LYS 24 -2.706 -24.760 -24.760 188 1HE LYS 24 HE2 LYS 24 -5.052 -23.707 -23.707 189 2HE LYS 24 HE1 LYS 24 -3.769 -23.488 -23.488 190 1HZ LYS 24 HZ1 LYS 24 -4.513 -21.550 -21.550 191 2HZ LYS 24 HZ3 LYS 24 -4.911 -21.413 -21.413 192 3HZ LYS 24 HZ2 LYS 24 -3.286 -21.330 -21.330 193 H GLY 25 HN GLY 25 1.046 -22.300 -22.300 194 1HA GLY 25 HA2 GLY 25 2.939 -24.417 -24.417 195 2HA GLY 25 HA1 GLY 25 1.965 -23.947 -23.947 196 H GLU 26 HN GLU 26 4.303 -22.836 -22.836 197 HA GLU 26 HA GLU 26 5.466 -20.772 -20.772 198 1HB GLU 26 HB2 GLU 26 6.949 -20.699 -20.699 199 2HB GLU 26 HB1 GLU 26 7.091 -22.059 -22.059 200 1HG GLU 26 HG2 GLU 26 5.223 -22.113 -22.113 201 2HG GLU 26 HG1 GLU 26 6.894 -22.639 -22.639 202 H ASP 27 HN ASP 27 4.207 -18.966 -18.966 203 HA ASP 27 HA ASP 27 3.817 -17.618 -17.618 204 1HB ASP 27 HB2 ASP 27 1.675 -18.761 -18.761 205 2HB ASP 27 HB1 ASP 27 1.695 -17.229 -17.229 206 H VAL 28 HN VAL 28 5.784 -17.398 -17.398 207 HA VAL 28 HA VAL 28 5.080 -14.950 -14.950 208 HB VAL 28 HB VAL 28 7.306 -15.231 -15.231 209 1HG1 VAL 28 HG13 VAL 28 5.570 -17.704 -17.704 210 2HG1 VAL 28 HG12 VAL 28 6.838 -17.522 -17.522 211 3HG1 VAL 28 HG11 VAL 28 5.449 -16.435 -16.435 212 1HG2 VAL 28 HG23 VAL 28 7.559 -17.286 -17.286 213 2HG2 VAL 28 HG22 VAL 28 8.753 -16.123 -16.123 214 3HG2 VAL 28 HG21 VAL 28 8.383 -17.551 -17.551 215 H ASN 29 HN ASN 29 4.785 -13.762 -13.762 216 HA ASN 29 HA ASN 29 6.938 -11.996 -11.996 217 1HB ASN 29 HB2 ASN 29 7.082 -12.750 -12.750 218 2HB ASN 29 HB1 ASN 29 8.066 -13.581 -13.581 219 1HD2 ASN 29 HD21 ASN 29 7.174 -15.688 -15.688 220 2HD2 ASN 29 HD22 ASN 29 6.138 -16.593 -16.593 221 H ARG 30 HN ARG 30 4.018 -12.211 -12.211 222 HA ARG 30 HA ARG 30 2.917 -10.896 -10.896 223 1HB ARG 30 HB2 ARG 30 0.713 -11.295 -11.295 224 2HB ARG 30 HB1 ARG 30 1.464 -12.653 -12.653 225 1HG ARG 30 HG2 ARG 30 2.624 -13.320 -13.320 226 2HG ARG 30 HG1 ARG 30 1.961 -11.935 -11.935 227 1HD ARG 30 HD2 ARG 30 -0.229 -12.808 -12.808 228 2HD ARG 30 HD1 ARG 30 0.149 -13.949 -13.949 229 HE ARG 30 HE ARG 30 1.818 -14.711 -14.711 230 1HH1 ARG 30 HH21 ARG 30 -1.564 -14.151 -14.151 231 2HH1 ARG 30 HH22 ARG 30 -2.035 -15.320 -15.320 232 1HH2 ARG 30 HH11 ARG 30 1.220 -16.234 -16.234 233 2HH2 ARG 30 HH12 ARG 30 -0.458 -16.502 -16.502 234 H THR 31 HN THR 31 2.877 -8.712 -8.712 235 HA THR 31 HA THR 31 3.378 -7.174 -7.174 236 HB THR 31 HB THR 31 1.660 -6.214 -6.214 237 HG1 THR 31 HG1 THR 31 3.586 -7.367 -7.367 238 1HG2 THR 31 HG22 THR 31 2.158 -4.790 -4.790 239 2HG2 THR 31 HG21 THR 31 3.834 -4.773 -4.773 240 3HG2 THR 31 HG23 THR 31 2.569 -4.076 -4.076 241 H LEU 32 HN LEU 32 2.088 -7.665 -7.665 242 HA LEU 32 HA LEU 32 -0.752 -8.115 -8.115 243 1HB LEU 32 HB2 LEU 32 -0.856 -8.257 -8.257 244 2HB LEU 32 HB1 LEU 32 0.268 -9.375 -9.375 245 HG LEU 32 HG LEU 32 1.256 -8.480 -8.480 246 1HD1 LEU 32 HD13 LEU 32 2.607 -8.644 -8.644 247 2HD1 LEU 32 HD12 LEU 32 2.737 -6.891 -6.891 248 3HD1 LEU 32 HD11 LEU 32 3.339 -7.976 -7.976 249 1HD2 LEU 32 HD21 LEU 32 -0.139 -6.160 -6.160 250 2HD2 LEU 32 HD23 LEU 32 1.091 -6.361 -6.361 251 3HD2 LEU 32 HD22 LEU 32 1.531 -5.683 -5.683 252 H GLU 33 HN GLU 33 1.137 -5.365 -5.365 253 HA GLU 33 HA GLU 33 -1.341 -3.907 -3.907 254 1HB GLU 33 HB2 GLU 33 0.591 -3.481 -3.481 255 2HB GLU 33 HB1 GLU 33 1.557 -3.028 -3.028 256 1HG GLU 33 HG2 GLU 33 0.237 -1.071 -1.071 257 2HG GLU 33 HG1 GLU 33 -0.999 -1.596 -1.596 258 H GLY 34 HN GLY 34 1.390 -2.635 -2.635 259 1HA GLY 34 HA2 GLY 34 -0.191 -2.451 -2.451 260 2HA GLY 34 HA1 GLY 34 -0.027 -0.901 -0.901 261 H GLY 35 HN GLY 35 2.702 -2.146 -2.146 262 1HA GLY 35 HA2 GLY 35 4.294 -2.230 -2.230 263 2HA GLY 35 HA1 GLY 35 4.448 -0.691 -0.691 264 H ARG 36 HN ARG 36 3.820 -3.511 -3.511 265 HA ARG 36 HA ARG 36 6.705 -3.580 -3.580 266 1HB ARG 36 HB2 ARG 36 4.514 -4.174 -4.174 267 2HB ARG 36 HB1 ARG 36 6.136 -3.541 -3.541 268 1HG ARG 36 HG2 ARG 36 5.323 -1.471 -1.471 269 2HG ARG 36 HG1 ARG 36 3.705 -2.085 -2.085 270 1HD ARG 36 HD2 ARG 36 3.957 -0.751 -0.751 271 2HD ARG 36 HD1 ARG 36 4.711 -2.216 -2.216 272 HE ARG 36 HE ARG 36 6.817 -0.877 -0.877 273 1HH1 ARG 36 HH21 ARG 36 4.349 -0.095 -0.095 274 2HH1 ARG 36 HH22 ARG 36 5.317 1.067 1.067 275 1HH2 ARG 36 HH11 ARG 36 8.086 0.647 0.647 276 2HH2 ARG 36 HH12 ARG 36 7.427 1.490 1.490 277 H LYS 37 HN LYS 37 6.737 -5.722 -5.722 278 HA LYS 37 HA LYS 37 5.518 -7.992 -7.992 279 1HB LYS 37 HB2 LYS 37 7.796 -9.159 -9.159 280 2HB LYS 37 HB1 LYS 37 7.742 -8.122 -8.122 281 1HG LYS 37 HG2 LYS 37 8.322 -6.820 -6.820 282 2HG LYS 37 HG1 LYS 37 9.598 -7.800 -7.800 283 1HD LYS 37 HD2 LYS 37 9.671 -6.461 -6.461 284 2HD LYS 37 HD1 LYS 37 8.142 -5.671 -5.671 285 1HE LYS 37 HE2 LYS 37 9.125 -4.489 -4.489 286 2HE LYS 37 HE1 LYS 37 10.614 -5.429 -5.429 287 1HZ LYS 37 HZ3 LYS 37 10.940 -4.500 -4.500 288 2HZ LYS 37 HZ2 LYS 37 9.556 -3.536 -3.536 289 3HZ LYS 37 HZ1 LYS 37 10.914 -3.296 -3.296 290 HA PRO 38 HA PRO 38 4.405 -9.405 -9.405 291 1HB PRO 38 HB2 PRO 38 4.857 -12.174 -12.174 292 2HB PRO 38 HB1 PRO 38 3.362 -11.315 -11.315 293 1HG PRO 38 HG2 PRO 38 5.390 -12.421 -12.421 294 2HG PRO 38 HG1 PRO 38 3.735 -11.905 -11.905 295 1HD PRO 38 HD2 PRO 38 6.119 -10.505 -10.505 296 2HD PRO 38 HD1 PRO 38 4.459 -9.882 -9.882 297 H LEU 39 HN LEU 39 7.327 -8.831 -8.831 298 HA LEU 39 HA LEU 39 8.634 -10.424 -10.424 299 1HB LEU 39 HB2 LEU 39 9.471 -10.731 -10.731 300 2HB LEU 39 HB1 LEU 39 9.998 -9.053 -9.053 301 HG LEU 39 HG LEU 39 11.778 -9.516 -9.516 302 1HD1 LEU 39 HD11 LEU 39 10.243 -11.900 -11.900 303 2HD1 LEU 39 HD13 LEU 39 11.889 -11.480 -11.480 304 3HD1 LEU 39 HD12 LEU 39 10.558 -10.386 -10.386 305 1HD2 LEU 39 HD21 LEU 39 11.742 -11.014 -11.014 306 2HD2 LEU 39 HD23 LEU 39 12.926 -11.381 -11.381 307 3HD2 LEU 39 HD22 LEU 39 11.453 -12.339 -12.339 308 H HIS 40 HN HIS 40 7.808 -7.308 -7.308 309 HA HIS 40 HA HIS 40 9.719 -5.763 -5.763 310 1HB HIS 40 HB2 HIS 40 8.543 -4.953 -4.953 311 2HB HIS 40 HB1 HIS 40 7.061 -4.850 -4.850 312 HD1 HIS 40 HD1 HIS 40 7.976 -3.621 -3.621 313 HD2 HIS 40 HD2 HIS 40 9.438 -2.345 -2.345 314 HE1 HIS 40 HE1 HIS 40 8.845 -1.268 -1.268 315 H TYR 41 HN TYR 41 6.204 -6.416 -6.416 316 HA TYR 41 HA TYR 41 6.018 -5.119 -5.119 317 1HB TYR 41 HB2 TYR 41 4.272 -7.430 -7.430 318 2HB TYR 41 HB1 TYR 41 3.842 -6.009 -6.009 319 HD1 TYR 41 HD1 TYR 41 4.758 -7.181 -7.181 320 HD2 TYR 41 HD2 TYR 41 3.144 -3.991 -3.991 321 HE1 TYR 41 HE1 TYR 41 4.060 -5.995 -5.995 322 HE2 TYR 41 HE2 TYR 41 2.448 -2.810 -2.810 323 HH TYR 41 HH TYR 41 2.711 -2.741 -2.741 324 H ALA 42 HN ALA 42 6.676 -8.397 -8.397 325 HA ALA 42 HA ALA 42 6.683 -9.657 -9.657 326 1HB ALA 42 HB1 ALA 42 6.615 -10.810 -10.810 327 2HB ALA 42 HB3 ALA 42 8.324 -10.416 -10.416 328 3HB ALA 42 HB2 ALA 42 7.788 -11.488 -11.488 329 H ALA 43 HN ALA 43 9.381 -8.688 -8.688 330 HA ALA 43 HA ALA 43 11.482 -8.967 -8.967 331 1HB ALA 43 HB2 ALA 43 11.073 -6.820 -6.820 332 2HB ALA 43 HB1 ALA 43 12.615 -7.192 -7.192 333 3HB ALA 43 HB3 ALA 43 11.833 -8.390 -8.390 334 H ASP 44 HN ASP 44 9.673 -5.985 -5.985 335 HA ASP 44 HA ASP 44 10.683 -4.326 -4.326 336 1HB ASP 44 HB2 ASP 44 9.223 -3.561 -3.561 337 2HB ASP 44 HB1 ASP 44 7.867 -4.432 -4.432 338 H CYS 45 HN CYS 45 7.965 -6.629 -6.629 339 HA CYS 45 HA CYS 45 8.330 -6.756 -6.756 340 1HB CYS 45 HB2 CYS 45 5.905 -5.461 -5.461 341 2HB CYS 45 HB1 CYS 45 5.862 -6.148 -6.148 342 HG CYS 45 HG CYS 45 6.928 -4.072 -4.072 343 H GLY 46 HN GLY 46 8.734 -8.898 -8.898 344 1HA GLY 46 HA2 GLY 46 6.125 -10.362 -10.362 345 2HA GLY 46 HA1 GLY 46 7.603 -10.800 -10.800 346 H GLN 47 HN GLN 47 7.529 -9.902 -9.902 347 HA GLN 47 HA GLN 47 8.307 -11.145 -11.145 348 1HB GLN 47 HB2 GLN 47 6.523 -13.060 -13.060 349 2HB GLN 47 HB1 GLN 47 7.384 -13.600 -13.600 350 1HG GLN 47 HG2 GLN 47 5.028 -12.670 -12.670 351 2HG GLN 47 HG1 GLN 47 6.300 -11.989 -11.989 352 1HE2 GLN 47 HE21 GLN 47 3.953 -11.261 -11.261 353 2HE2 GLN 47 HE22 GLN 47 4.314 -9.609 -9.609 354 H LEU 48 HN LEU 48 9.600 -11.126 -11.126 355 HA LEU 48 HA LEU 48 11.560 -11.856 -11.856 356 1HB LEU 48 HB2 LEU 48 11.966 -12.810 -12.810 357 2HB LEU 48 HB1 LEU 48 13.183 -13.020 -13.020 358 HG LEU 48 HG LEU 48 13.913 -10.941 -10.941 359 1HD1 LEU 48 HD12 LEU 48 11.116 -10.024 -10.024 360 2HD1 LEU 48 HD11 LEU 48 12.489 -8.951 -8.951 361 3HD1 LEU 48 HD13 LEU 48 12.501 -10.113 -10.113 362 1HD2 LEU 48 HD22 LEU 48 11.569 -10.802 -10.802 363 2HD2 LEU 48 HD21 LEU 48 13.261 -11.095 -11.095 364 3HD2 LEU 48 HD23 LEU 48 12.744 -9.497 -9.497 365 H GLU 49 HN GLU 49 9.199 -13.940 -13.940 366 HA GLU 49 HA GLU 49 10.673 -16.359 -16.359 367 1HB GLU 49 HB2 GLU 49 8.319 -17.421 -17.421 368 2HB GLU 49 HB1 GLU 49 9.338 -16.995 -16.995 369 1HG GLU 49 HG2 GLU 49 8.164 -14.879 -14.879 370 2HG GLU 49 HG1 GLU 49 7.204 -15.199 -15.199 371 H ILE 50 HN ILE 50 7.994 -14.241 -14.241 372 HA ILE 50 HA ILE 50 7.057 -15.649 -15.649 373 HB ILE 50 HB ILE 50 6.982 -12.668 -12.668 374 1HG1 ILE 50 HG12 ILE 50 5.756 -14.885 -14.885 375 2HG1 ILE 50 HG11 ILE 50 5.816 -13.183 -13.183 376 1HG2 ILE 50 HG21 ILE 50 5.237 -14.538 -14.538 377 2HG2 ILE 50 HG23 ILE 50 4.918 -12.822 -12.822 378 3HG2 ILE 50 HG22 ILE 50 6.358 -13.334 -13.334 379 1HD1 ILE 50 HD11 ILE 50 3.895 -14.178 -14.178 380 2HD1 ILE 50 HD13 ILE 50 3.501 -14.284 -14.284 381 3HD1 ILE 50 HD12 ILE 50 3.809 -12.714 -12.714 382 H LEU 51 HN LEU 51 9.576 -13.152 -13.152 383 HA LEU 51 HA LEU 51 9.834 -12.837 -12.837 384 1HB LEU 51 HB2 LEU 51 12.389 -12.306 -12.306 385 2HB LEU 51 HB1 LEU 51 11.092 -11.130 -11.130 386 HG LEU 51 HG LEU 51 12.339 -11.077 -11.077 387 1HD1 LEU 51 HD11 LEU 51 9.548 -11.329 -11.329 388 2HD1 LEU 51 HD13 LEU 51 10.015 -12.264 -12.264 389 3HD1 LEU 51 HD12 LEU 51 10.469 -10.568 -10.568 390 1HD2 LEU 51 HD21 LEU 51 12.919 -13.588 -13.588 391 2HD2 LEU 51 HD23 LEU 51 12.693 -12.914 -12.914 392 3HD2 LEU 51 HD22 LEU 51 11.402 -13.855 -13.855 393 H GLU 52 HN GLU 52 11.982 -14.819 -14.819 394 HA GLU 52 HA GLU 52 13.289 -16.002 -16.002 395 1HB GLU 52 HB2 GLU 52 13.818 -17.927 -17.927 396 2HB GLU 52 HB1 GLU 52 14.458 -16.328 -16.328 397 1HG GLU 52 HG2 GLU 52 13.600 -17.029 -17.029 398 2HG GLU 52 HG1 GLU 52 12.306 -16.018 -16.018 399 H PHE 53 HN PHE 53 10.165 -16.692 -16.692 400 HA PHE 53 HA PHE 53 9.843 -19.361 -19.361 401 1HB PHE 53 HB2 PHE 53 8.156 -18.468 -18.468 402 2HB PHE 53 HB1 PHE 53 7.811 -17.150 -17.150 403 HD1 PHE 53 HD1 PHE 53 8.083 -20.896 -20.896 404 HD2 PHE 53 HD2 PHE 53 5.913 -17.408 -17.408 405 HE1 PHE 53 HE1 PHE 53 6.474 -22.334 -22.334 406 HE2 PHE 53 HE2 PHE 53 4.303 -18.845 -18.845 407 HZ PHE 53 HZ PHE 53 4.580 -21.311 -21.311 408 H LEU 54 HN LEU 54 7.953 -16.820 -16.820 409 HA LEU 54 HA LEU 54 7.728 -18.186 -18.186 410 1HB LEU 54 HB2 LEU 54 7.347 -15.651 -15.651 411 2HB LEU 54 HB1 LEU 54 6.148 -16.548 -16.548 412 HG LEU 54 HG LEU 54 6.860 -15.515 -15.515 413 1HD1 LEU 54 HD13 LEU 54 9.066 -14.421 -14.421 414 2HD1 LEU 54 HD12 LEU 54 8.595 -13.603 -13.603 415 3HD1 LEU 54 HD11 LEU 54 9.195 -15.258 -15.258 416 1HD2 LEU 54 HD22 LEU 54 5.324 -14.306 -14.306 417 2HD2 LEU 54 HD21 LEU 54 6.081 -13.305 -13.305 418 3HD2 LEU 54 HD23 LEU 54 6.729 -13.318 -13.318 419 H LEU 55 HN LEU 55 10.410 -16.330 -16.330 420 HA LEU 55 HA LEU 55 11.525 -15.734 -15.734 421 1HB LEU 55 HB2 LEU 55 12.110 -14.708 -14.708 422 2HB LEU 55 HB1 LEU 55 13.203 -16.081 -16.081 423 HG LEU 55 HG LEU 55 13.205 -14.041 -14.041 424 1HD1 LEU 55 HD12 LEU 55 14.917 -14.450 -14.450 425 2HD1 LEU 55 HD11 LEU 55 15.496 -13.539 -13.539 426 3HD1 LEU 55 HD13 LEU 55 14.076 -12.986 -12.986 427 1HD2 LEU 55 HD23 LEU 55 14.716 -16.588 -16.588 428 2HD2 LEU 55 HD22 LEU 55 14.106 -15.936 -15.936 429 3HD2 LEU 55 HD21 LEU 55 15.554 -15.251 -15.251 430 H LEU 56 HN LEU 56 11.875 -18.400 -18.400 431 HA LEU 56 HA LEU 56 13.976 -19.732 -19.732 432 1HB LEU 56 HB2 LEU 56 13.672 -21.535 -21.535 433 2HB LEU 56 HB1 LEU 56 12.996 -20.209 -20.209 434 HG LEU 56 HG LEU 56 10.753 -20.976 -20.976 435 1HD1 LEU 56 HD11 LEU 56 12.273 -22.825 -22.825 436 2HD1 LEU 56 HD13 LEU 56 12.098 -23.632 -23.632 437 3HD1 LEU 56 HD12 LEU 56 10.672 -23.268 -23.268 438 1HD2 LEU 56 HD21 LEU 56 11.261 -20.865 -20.865 439 2HD2 LEU 56 HD23 LEU 56 10.148 -22.149 -22.149 440 3HD2 LEU 56 HD22 LEU 56 11.834 -22.528 -22.528 441 H LYS 57 HN LYS 57 10.494 -19.729 -19.729 442 HA LYS 57 HA LYS 57 10.559 -21.851 -21.851 443 1HB LYS 57 HB2 LYS 57 8.530 -19.912 -19.912 444 2HB LYS 57 HB1 LYS 57 8.312 -20.442 -20.442 445 1HG LYS 57 HG2 LYS 57 8.163 -22.723 -22.723 446 2HG LYS 57 HG1 LYS 57 8.829 -22.421 -22.421 447 1HD LYS 57 HD2 LYS 57 6.808 -21.162 -21.162 448 2HD LYS 57 HD1 LYS 57 6.143 -21.421 -21.421 449 1HE LYS 57 HE2 LYS 57 5.967 -23.778 -23.778 450 2HE LYS 57 HE1 LYS 57 6.970 -23.716 -23.716 451 1HZ LYS 57 HZ2 LYS 57 5.141 -22.171 -22.171 452 2HZ LYS 57 HZ1 LYS 57 4.183 -22.825 -22.825 453 3HZ LYS 57 HZ3 LYS 57 4.833 -23.841 -23.841 454 H GLY 58 HN GLY 58 9.103 -18.972 -18.972 455 1HA GLY 58 HA2 GLY 58 10.981 -18.881 -18.881 456 2HA GLY 58 HA1 GLY 58 9.727 -17.675 -17.675 457 H ALA 59 HN ALA 59 10.954 -15.734 -15.734 458 HA ALA 59 HA ALA 59 12.362 -15.128 -15.128 459 1HB ALA 59 HB2 ALA 59 14.075 -16.710 -16.710 460 2HB ALA 59 HB1 ALA 59 14.283 -15.640 -15.640 461 3HB ALA 59 HB3 ALA 59 14.686 -15.072 -15.072 462 H ASP 60 HN ASP 60 11.094 -13.251 -13.251 463 HA ASP 60 HA ASP 60 11.594 -11.481 -11.481 464 1HB ASP 60 HB2 ASP 60 9.441 -11.570 -11.570 465 2HB ASP 60 HB1 ASP 60 10.358 -10.732 -10.732 466 H ILE 61 HN ILE 61 13.442 -12.606 -12.606 467 HA ILE 61 HA ILE 61 14.612 -10.518 -10.518 468 HB ILE 61 HB ILE 61 15.073 -13.031 -13.031 469 1HG1 ILE 61 HG12 ILE 61 17.321 -11.000 -11.000 470 2HG1 ILE 61 HG11 ILE 61 16.358 -11.510 -11.510 471 1HG2 ILE 61 HG23 ILE 61 15.622 -13.044 -13.044 472 2HG2 ILE 61 HG22 ILE 61 17.197 -12.410 -12.410 473 3HG2 ILE 61 HG21 ILE 61 16.669 -13.988 -13.988 474 1HD1 ILE 61 HD13 ILE 61 17.349 -13.913 -13.913 475 2HD1 ILE 61 HD12 ILE 61 18.686 -12.809 -12.809 476 3HD1 ILE 61 HD11 ILE 61 18.055 -12.967 -12.967 477 H ASN 62 HN ASN 62 15.020 -11.445 -11.445 478 HA ASN 62 HA ASN 62 16.748 -9.062 -9.062 479 1HB ASN 62 HB2 ASN 62 18.022 -10.405 -10.405 480 2HB ASN 62 HB1 ASN 62 18.231 -10.976 -10.976 481 1HD2 ASN 62 HD21 ASN 62 15.190 -11.969 -11.969 482 2HD2 ASN 62 HD22 ASN 62 15.454 -13.486 -13.486 483 H ALA 63 HN ALA 63 14.513 -11.366 -11.366 484 HA ALA 63 HA ALA 63 14.003 -10.801 -10.801 485 1HB ALA 63 HB3 ALA 63 12.468 -11.897 -11.897 486 2HB ALA 63 HB2 ALA 63 11.661 -10.331 -10.331 487 3HB ALA 63 HB1 ALA 63 11.761 -11.258 -11.258 488 HA PRO 64 HA PRO 64 11.641 -6.400 -6.400 489 1HB PRO 64 HB2 PRO 64 14.411 -5.809 -5.809 490 2HB PRO 64 HB1 PRO 64 12.859 -5.132 -5.132 491 1HG PRO 64 HG2 PRO 64 14.194 -7.317 -7.317 492 2HG PRO 64 HG1 PRO 64 12.503 -6.869 -6.869 493 1HD PRO 64 HD2 PRO 64 13.380 -9.268 -9.268 494 2HD PRO 64 HD1 PRO 64 11.731 -8.607 -8.607 495 H ASP 65 HN ASP 65 11.521 -5.058 -5.058 496 HA ASP 65 HA ASP 65 13.814 -4.485 -4.485 497 1HB ASP 65 HB2 ASP 65 11.116 -5.618 -5.618 498 2HB ASP 65 HB1 ASP 65 12.131 -4.749 -4.749 499 H LYS 66 HN LYS 66 10.382 -3.858 -3.858 500 HA LYS 66 HA LYS 66 10.533 -1.094 -1.094 501 1HB LYS 66 HB2 LYS 66 8.527 -2.749 -2.749 502 2HB LYS 66 HB1 LYS 66 8.273 -2.316 -2.316 503 1HG LYS 66 HG2 LYS 66 8.515 -0.262 -0.262 504 2HG LYS 66 HG1 LYS 66 6.986 -0.953 -0.953 505 1HD LYS 66 HD2 LYS 66 8.018 -0.227 -0.227 506 2HD LYS 66 HD1 LYS 66 8.724 1.010 1.010 507 1HE LYS 66 HE2 LYS 66 6.619 1.868 1.868 508 2HE LYS 66 HE1 LYS 66 6.403 1.426 1.426 509 1HZ LYS 66 HZ3 LYS 66 5.879 -0.788 -0.788 510 2HZ LYS 66 HZ2 LYS 66 4.926 0.541 0.541 511 3HZ LYS 66 HZ1 LYS 66 4.861 -0.045 -0.045 512 H HIS 67 HN HIS 67 10.697 -2.889 -2.889 513 HA HIS 67 HA HIS 67 10.370 -0.595 -0.595 514 1HB HIS 67 HB2 HIS 67 11.608 -3.255 -3.255 515 2HB HIS 67 HB1 HIS 67 10.677 -2.175 -2.175 516 HD1 HIS 67 HD1 HIS 67 9.835 -5.145 -5.145 517 HD2 HIS 67 HD2 HIS 67 8.308 -1.973 -1.973 518 HE1 HIS 67 HE1 HIS 67 7.596 -5.914 -5.914 519 H HIS 68 HN HIS 68 12.797 -1.650 -1.650 520 HA HIS 68 HA HIS 68 15.143 -1.401 -1.401 521 1HB HIS 68 HB2 HIS 68 15.795 0.943 0.943 522 2HB HIS 68 HB1 HIS 68 14.310 0.847 0.847 523 HD1 HIS 68 HD1 HIS 68 12.122 1.636 1.636 524 HD2 HIS 68 HD2 HIS 68 15.445 1.907 1.907 525 HE1 HIS 68 HE1 HIS 68 11.399 3.003 3.003 526 H ILE 69 HN ILE 69 13.917 -2.450 -2.450 527 HA ILE 69 HA ILE 69 16.431 -2.205 -2.205 528 HB ILE 69 HB ILE 69 14.344 -0.456 -0.456 529 1HG1 ILE 69 HG12 ILE 69 16.764 -0.172 -0.172 530 2HG1 ILE 69 HG11 ILE 69 15.813 0.116 0.116 531 1HG2 ILE 69 HG21 ILE 69 13.151 -2.344 -2.344 532 2HG2 ILE 69 HG23 ILE 69 14.569 -2.652 -2.652 533 3HG2 ILE 69 HG22 ILE 69 13.680 -1.143 -1.143 534 1HD1 ILE 69 HD11 ILE 69 16.277 -2.492 -2.492 535 2HD1 ILE 69 HD13 ILE 69 17.678 -2.141 -2.141 536 3HD1 ILE 69 HD12 ILE 69 17.441 -1.269 -1.269 537 H THR 70 HN THR 70 16.656 -3.708 -3.708 538 HA THR 70 HA THR 70 14.870 -6.056 -6.056 539 HB THR 70 HB THR 70 16.984 -6.819 -6.819 540 HG1 THR 70 HG1 THR 70 16.555 -7.020 -7.020 541 1HG2 THR 70 HG21 THR 70 17.979 -4.684 -4.684 542 2HG2 THR 70 HG23 THR 70 19.054 -5.891 -5.891 543 3HG2 THR 70 HG22 THR 70 18.177 -4.777 -4.777 544 HA PRO 71 HA PRO 71 13.501 -5.370 -5.370 545 1HB PRO 71 HB2 PRO 71 13.679 -8.190 -8.190 546 2HB PRO 71 HB1 PRO 71 12.240 -7.214 -7.214 547 1HG PRO 71 HG2 PRO 71 13.117 -9.212 -9.212 548 2HG PRO 71 HG1 PRO 71 12.238 -7.789 -7.789 549 1HD PRO 71 HD2 PRO 71 15.191 -8.344 -8.344 550 2HD PRO 71 HD1 PRO 71 14.159 -7.554 -7.554 551 H LEU 72 HN LEU 72 16.718 -6.889 -6.889 552 HA LEU 72 HA LEU 72 17.055 -7.102 -7.102 553 1HB LEU 72 HB2 LEU 72 19.450 -5.952 -5.952 554 2HB LEU 72 HB1 LEU 72 19.285 -7.393 -7.393 555 HG LEU 72 HG LEU 72 19.987 -8.195 -8.195 556 1HD1 LEU 72 HD12 LEU 72 17.063 -8.522 -8.522 557 2HD1 LEU 72 HD11 LEU 72 17.709 -9.045 -9.045 558 3HD1 LEU 72 HD13 LEU 72 18.352 -9.720 -9.720 559 1HD2 LEU 72 HD22 LEU 72 18.060 -6.241 -6.241 560 2HD2 LEU 72 HD21 LEU 72 19.819 -6.206 -6.206 561 3HD2 LEU 72 HD23 LEU 72 18.939 -7.481 -7.481 562 H LEU 73 HN LEU 73 17.307 -4.243 -4.243 563 HA LEU 73 HA LEU 73 18.130 -2.538 -2.538 564 1HB LEU 73 HB2 LEU 73 16.838 -1.703 -1.703 565 2HB LEU 73 HB1 LEU 73 17.745 -0.673 -0.673 566 HG LEU 73 HG LEU 73 19.636 -2.480 -2.480 567 1HD1 LEU 73 HD12 LEU 73 17.637 -3.307 -3.307 568 2HD1 LEU 73 HD11 LEU 73 19.129 -2.856 -2.856 569 3HD1 LEU 73 HD13 LEU 73 19.159 -4.088 -4.088 570 1HD2 LEU 73 HD23 LEU 73 18.850 -0.261 -0.261 571 2HD2 LEU 73 HD22 LEU 73 20.122 -0.285 -0.285 572 3HD2 LEU 73 HD21 LEU 73 20.319 -1.195 -1.195 573 H SER 74 HN SER 74 15.099 -3.781 -3.781 574 HA SER 74 HA SER 74 13.366 -1.806 -1.806 575 1HB SER 74 HB2 SER 74 12.618 -3.738 -3.738 576 2HB SER 74 HB1 SER 74 12.952 -4.807 -4.807 577 HG SER 74 HG SER 74 11.426 -3.585 -3.585 578 H ALA 75 HN ALA 75 14.811 -4.661 -4.661 579 HA ALA 75 HA ALA 75 13.692 -4.028 -4.028 580 1HB ALA 75 HB1 ALA 75 15.908 -5.877 -5.877 581 2HB ALA 75 HB3 ALA 75 15.437 -5.710 -5.710 582 3HB ALA 75 HB2 ALA 75 14.274 -6.308 -6.308 583 H VAL 76 HN VAL 76 16.701 -3.271 -3.271 584 HA VAL 76 HA VAL 76 18.401 -2.431 -2.431 585 HB VAL 76 HB VAL 76 17.773 -1.321 -1.321 586 1HG1 VAL 76 HG13 VAL 76 18.876 0.334 0.334 587 2HG1 VAL 76 HG12 VAL 76 20.294 -0.369 -0.369 588 3HG1 VAL 76 HG11 VAL 76 19.105 0.496 0.496 589 1HG2 VAL 76 HG21 VAL 76 18.924 -3.486 -3.486 590 2HG2 VAL 76 HG23 VAL 76 20.013 -2.278 -2.278 591 3HG2 VAL 76 HG22 VAL 76 20.161 -2.739 -2.739 592 H TYR 77 HN TYR 77 16.281 -0.001 -0.001 593 HA TYR 77 HA TYR 77 16.457 1.709 1.709 594 1HB TYR 77 HB2 TYR 77 14.257 2.236 2.236 595 2HB TYR 77 HB1 TYR 77 15.531 3.311 3.311 596 HD1 TYR 77 HD1 TYR 77 14.697 0.633 0.633 597 HD2 TYR 77 HD2 TYR 77 17.585 3.583 3.583 598 HE1 TYR 77 HE1 TYR 77 15.883 0.357 0.357 599 HE2 TYR 77 HE2 TYR 77 18.764 3.298 3.298 600 HH TYR 77 HH TYR 77 17.969 2.460 2.460 601 H GLU 78 HN GLU 78 15.532 -0.721 -0.721 602 HA GLU 78 HA GLU 78 12.669 -0.102 -0.102 603 1HB GLU 78 HB2 GLU 78 13.161 -2.121 -2.121 604 2HB GLU 78 HB1 GLU 78 13.669 -2.942 -2.942 605 1HG GLU 78 HG2 GLU 78 11.366 -3.456 -3.456 606 2HG GLU 78 HG1 GLU 78 11.433 -2.186 -2.186 607 H GLY 79 HN GLY 79 15.748 -1.448 -1.448 608 1HA GLY 79 HA2 GLY 79 16.521 -1.353 -1.353 609 2HA GLY 79 HA1 GLY 79 14.856 -1.057 -1.057 610 H HIS 80 HN HIS 80 14.505 -3.347 -3.347 611 HA HIS 80 HA HIS 80 14.172 -5.487 -5.487 612 1HB HIS 80 HB2 HIS 80 13.639 -5.103 -5.103 613 2HB HIS 80 HB1 HIS 80 13.786 -6.761 -6.761 614 HD1 HIS 80 HD1 HIS 80 11.527 -7.671 -7.671 615 HD2 HIS 80 HD2 HIS 80 11.787 -3.616 -3.616 616 HE1 HIS 80 HE1 HIS 80 9.319 -7.039 -7.039 617 H VAL 81 HN VAL 81 16.077 -5.094 -5.094 618 HA VAL 81 HA VAL 81 17.944 -6.343 -6.343 619 HB VAL 81 HB VAL 81 19.843 -5.781 -5.781 620 1HG1 VAL 81 HG12 VAL 81 18.273 -4.092 -4.092 621 2HG1 VAL 81 HG11 VAL 81 19.422 -3.262 -3.262 622 3HG1 VAL 81 HG13 VAL 81 19.978 -4.534 -4.534 623 1HG2 VAL 81 HG23 VAL 81 18.163 -5.253 -5.253 624 2HG2 VAL 81 HG22 VAL 81 19.188 -3.873 -3.873 625 3HG2 VAL 81 HG21 VAL 81 17.541 -3.949 -3.949 626 H SER 82 HN SER 82 16.080 -7.798 -7.798 627 HA SER 82 HA SER 82 17.957 -9.827 -9.827 628 1HB SER 82 HB2 SER 82 16.102 -9.563 -9.563 629 2HB SER 82 HB1 SER 82 14.966 -9.363 -9.363 630 HG SER 82 HG SER 82 15.614 -11.580 -11.580 631 H CYS 83 HN CYS 83 15.918 -9.022 -9.022 632 HA CYS 83 HA CYS 83 15.902 -11.679 -11.679 633 1HB CYS 83 HB2 CYS 83 15.030 -10.006 -10.006 634 2HB CYS 83 HB1 CYS 83 13.982 -10.591 -10.591 635 HG CYS 83 HG CYS 83 15.475 -7.888 -7.888 636 H VAL 84 HN VAL 84 17.296 -8.444 -8.444 637 HA VAL 84 HA VAL 84 18.779 -8.946 -8.946 638 HB VAL 84 HB VAL 84 20.478 -7.404 -7.404 639 1HG1 VAL 84 HG11 VAL 84 17.631 -6.810 -6.810 640 2HG1 VAL 84 HG13 VAL 84 18.906 -5.621 -5.621 641 3HG1 VAL 84 HG12 VAL 84 18.555 -6.191 -6.191 642 1HG2 VAL 84 HG21 VAL 84 19.346 -8.206 -8.206 643 2HG2 VAL 84 HG23 VAL 84 21.033 -8.178 -8.178 644 3HG2 VAL 84 HG22 VAL 84 20.182 -6.669 -6.669 645 H LYS 85 HN LYS 85 19.499 -9.985 -9.985 646 HA LYS 85 HA LYS 85 22.022 -11.199 -11.199 647 1HB LYS 85 HB2 LYS 85 19.832 -11.545 -11.545 648 2HB LYS 85 HB1 LYS 85 21.219 -12.618 -12.618 649 1HG LYS 85 HG2 LYS 85 22.630 -10.419 -10.419 650 2HG LYS 85 HG1 LYS 85 21.133 -9.646 -9.646 651 1HD LYS 85 HD2 LYS 85 22.265 -10.163 -10.163 652 2HD LYS 85 HD1 LYS 85 21.050 -11.428 -11.428 653 1HE LYS 85 HE2 LYS 85 23.327 -12.362 -12.362 654 2HE LYS 85 HE1 LYS 85 23.927 -11.694 -11.694 655 1HZ LYS 85 HZ1 LYS 85 21.708 -13.652 -13.652 656 2HZ LYS 85 HZ3 LYS 85 23.297 -14.023 -14.023 657 3HZ LYS 85 HZ2 LYS 85 22.336 -13.033 -13.033 658 H LEU 86 HN LEU 86 18.952 -12.933 -12.933 659 HA LEU 86 HA LEU 86 19.819 -15.405 -15.405 660 1HB LEU 86 HB2 LEU 86 18.001 -15.908 -15.908 661 2HB LEU 86 HB1 LEU 86 17.477 -14.236 -14.236 662 HG LEU 86 HG LEU 86 15.758 -15.649 -15.649 663 1HD1 LEU 86 HD12 LEU 86 16.739 -13.379 -13.379 664 2HD1 LEU 86 HD11 LEU 86 16.453 -14.522 -14.522 665 3HD1 LEU 86 HD13 LEU 86 15.146 -14.101 -14.101 666 1HD2 LEU 86 HD22 LEU 86 17.955 -16.972 -16.972 667 2HD2 LEU 86 HD21 LEU 86 16.282 -17.499 -17.499 668 3HD2 LEU 86 HD23 LEU 86 16.754 -16.495 -16.495 669 H LEU 87 HN LEU 87 19.240 -12.524 -12.524 670 HA LEU 87 HA LEU 87 18.013 -13.607 -13.607 671 1HB LEU 87 HB2 LEU 87 18.519 -11.034 -11.034 672 2HB LEU 87 HB1 LEU 87 19.348 -11.098 -11.098 673 HG LEU 87 HG LEU 87 16.455 -11.874 -11.874 674 1HD1 LEU 87 HD13 LEU 87 17.745 -9.346 -9.346 675 2HD1 LEU 87 HD12 LEU 87 16.052 -9.748 -9.748 676 3HD1 LEU 87 HD11 LEU 87 16.635 -9.502 -9.502 677 1HD2 LEU 87 HD22 LEU 87 18.323 -11.865 -11.865 678 2HD2 LEU 87 HD21 LEU 87 17.053 -13.017 -13.017 679 3HD2 LEU 87 HD23 LEU 87 16.631 -11.451 -11.451 680 H LEU 88 HN LEU 88 21.108 -11.784 -11.784 681 HA LEU 88 HA LEU 88 22.111 -12.899 -12.899 682 1HB LEU 88 HB2 LEU 88 24.190 -11.946 -11.946 683 2HB LEU 88 HB1 LEU 88 23.056 -10.900 -10.900 684 HG LEU 88 HG LEU 88 24.849 -11.238 -11.238 685 1HD1 LEU 88 HD11 LEU 88 22.387 -11.784 -11.784 686 2HD1 LEU 88 HD13 LEU 88 23.062 -13.392 -13.392 687 3HD1 LEU 88 HD12 LEU 88 23.755 -12.003 -12.003 688 1HD2 LEU 88 HD21 LEU 88 25.382 -13.551 -13.551 689 2HD2 LEU 88 HD23 LEU 88 26.148 -13.087 -13.087 690 3HD2 LEU 88 HD22 LEU 88 24.772 -14.187 -14.187 691 H SER 89 HN SER 89 21.631 -14.463 -14.463 692 HA SER 89 HA SER 89 23.752 -16.367 -16.367 693 1HB SER 89 HB2 SER 89 21.956 -16.045 -16.045 694 2HB SER 89 HB1 SER 89 20.850 -16.891 -16.891 695 HG SER 89 HG SER 89 22.939 -18.394 -18.394 696 H LYS 90 HN LYS 90 21.298 -15.739 -15.739 697 HA LYS 90 HA LYS 90 21.527 -18.442 -18.442 698 1HB LYS 90 HB2 LYS 90 19.272 -18.111 -18.111 699 2HB LYS 90 HB1 LYS 90 19.326 -16.394 -16.394 700 1HG LYS 90 HG2 LYS 90 18.850 -16.739 -16.739 701 2HG LYS 90 HG1 LYS 90 19.879 -18.167 -18.167 702 1HD LYS 90 HD2 LYS 90 17.452 -18.700 -18.700 703 2HD LYS 90 HD1 LYS 90 18.183 -19.541 -19.541 704 1HE LYS 90 HE2 LYS 90 16.924 -16.881 -16.881 705 2HE LYS 90 HE1 LYS 90 15.852 -18.243 -18.243 706 1HZ LYS 90 HZ2 LYS 90 17.622 -19.324 -19.324 707 2HZ LYS 90 HZ1 LYS 90 17.562 -17.727 -17.727 708 3HZ LYS 90 HZ3 LYS 90 16.139 -18.642 -18.642 709 H GLY 91 HN GLY 91 22.037 -15.041 -15.041 710 1HA GLY 91 HA2 GLY 91 23.884 -14.905 -14.905 711 2HA GLY 91 HA1 GLY 91 22.470 -15.253 -15.253 712 H ALA 92 HN ALA 92 21.048 -13.604 -13.604 713 HA ALA 92 HA ALA 92 20.471 -11.351 -11.351 714 1HB ALA 92 HB2 ALA 92 20.111 -12.083 -12.083 715 2HB ALA 92 HB1 ALA 92 20.677 -10.412 -10.412 716 3HB ALA 92 HB3 ALA 92 19.225 -10.869 -10.869 717 H ASP 93 HN ASP 93 23.564 -12.055 -12.055 718 HA ASP 93 HA ASP 93 25.508 -10.722 -10.722 719 1HB ASP 93 HB2 ASP 93 25.037 -10.566 -10.566 720 2HB ASP 93 HB1 ASP 93 24.172 -9.064 -9.064 721 H LYS 94 HN LYS 94 24.323 -7.740 -7.740 722 HA LYS 94 HA LYS 94 23.132 -6.896 -6.896 723 1HB LYS 94 HB2 LYS 94 25.403 -7.059 -7.059 724 2HB LYS 94 HB1 LYS 94 26.016 -6.119 -6.119 725 1HG LYS 94 HG2 LYS 94 25.815 -4.675 -4.675 726 2HG LYS 94 HG1 LYS 94 24.634 -4.205 -4.205 727 1HD LYS 94 HD2 LYS 94 23.620 -6.234 -6.234 728 2HD LYS 94 HD1 LYS 94 24.055 -4.715 -4.715 729 1HE LYS 94 HE2 LYS 94 22.692 -3.680 -3.680 730 2HE LYS 94 HE1 LYS 94 21.913 -5.262 -5.262 731 1HZ LYS 94 HZ2 LYS 94 21.891 -4.685 -4.685 732 2HZ LYS 94 HZ1 LYS 94 21.832 -3.107 -3.107 733 3HZ LYS 94 HZ3 LYS 94 20.638 -4.232 -4.232 734 H THR 95 HN THR 95 24.682 -6.145 -6.145 735 HA THR 95 HA THR 95 22.851 -3.792 -3.792 736 HB THR 95 HB THR 95 24.634 -2.966 -2.966 737 HG1 THR 95 HG1 THR 95 25.867 -4.823 -4.823 738 1HG2 THR 95 HG21 THR 95 24.177 -2.006 -2.006 739 2HG2 THR 95 HG23 THR 95 25.420 -3.076 -3.076 740 3HG2 THR 95 HG22 THR 95 25.852 -1.828 -1.828 741 H VAL 96 HN VAL 96 21.869 -6.218 -6.218 742 HA VAL 96 HA VAL 96 22.488 -7.023 -7.023 743 HB VAL 96 HB VAL 96 20.035 -7.582 -7.582 744 1HG1 VAL 96 HG13 VAL 96 21.065 -8.699 -8.699 745 2HG1 VAL 96 HG12 VAL 96 20.012 -9.649 -9.649 746 3HG1 VAL 96 HG11 VAL 96 19.445 -8.116 -8.116 747 1HG2 VAL 96 HG23 VAL 96 22.660 -9.051 -9.051 748 2HG2 VAL 96 HG22 VAL 96 21.997 -8.405 -8.405 749 3HG2 VAL 96 HG21 VAL 96 21.231 -9.791 -9.791 750 H LYS 97 HN LYS 97 20.588 -4.432 -4.432 751 HA LYS 97 HA LYS 97 19.818 -3.704 -3.704 752 1HB LYS 97 HB2 LYS 97 18.108 -5.442 -5.442 753 2HB LYS 97 HB1 LYS 97 17.447 -3.983 -3.983 754 1HG LYS 97 HG2 LYS 97 16.271 -4.052 -4.052 755 2HG LYS 97 HG1 LYS 97 17.629 -3.010 -3.010 756 1HD LYS 97 HD2 LYS 97 18.814 -5.215 -5.215 757 2HD LYS 97 HD1 LYS 97 17.194 -5.911 -5.911 758 1HE LYS 97 HE2 LYS 97 16.497 -3.926 -3.926 759 2HE LYS 97 HE1 LYS 97 18.221 -3.631 -3.631 760 1HZ LYS 97 HZ1 LYS 97 18.069 -6.254 -6.254 761 2HZ LYS 97 HZ3 LYS 97 16.554 -5.751 -5.751 762 3HZ LYS 97 HZ2 LYS 97 17.972 -5.064 -5.064 763 H GLY 98 HN GLY 98 20.641 -2.749 -2.749 764 1HA GLY 98 HA2 GLY 98 19.019 -0.335 -0.335 765 2HA GLY 98 HA1 GLY 98 20.481 -0.669 -0.669 766 HA PRO 99 HA PRO 99 21.141 2.549 2.549 767 1HB PRO 99 HB2 PRO 99 22.446 4.068 4.068 768 2HB PRO 99 HB1 PRO 99 21.114 4.559 4.559 769 1HG PRO 99 HG2 PRO 99 20.949 3.839 3.839 770 2HG PRO 99 HG1 PRO 99 19.602 4.204 4.204 771 1HD PRO 99 HD2 PRO 99 20.331 1.636 1.636 772 2HD PRO 99 HD1 PRO 99 19.002 1.998 1.998 773 H ASP 100 HN ASP 100 23.376 2.492 2.492 774 HA ASP 100 HA ASP 100 25.252 0.767 0.767 775 1HB ASP 100 HB2 ASP 100 25.608 3.065 3.065 776 2HB ASP 100 HB1 ASP 100 26.074 3.618 3.618 777 H GLY 101 HN GLY 101 27.095 2.711 2.711 778 1HA GLY 101 HA2 GLY 101 27.473 0.804 0.804 779 2HA GLY 101 HA1 GLY 101 28.039 2.471 2.471 780 H LEU 102 HN LEU 102 24.732 2.621 2.621 781 HA LEU 102 HA LEU 102 24.149 3.754 3.754 782 1HB LEU 102 HB2 LEU 102 22.615 3.813 3.813 783 2HB LEU 102 HB1 LEU 102 22.148 2.162 2.162 784 HG LEU 102 HG LEU 102 21.782 4.594 4.594 785 1HD1 LEU 102 HD12 LEU 102 19.937 2.950 2.950 786 2HD1 LEU 102 HD11 LEU 102 19.327 3.847 3.847 787 3HD1 LEU 102 HD13 LEU 102 20.112 4.704 4.704 788 1HD2 LEU 102 HD22 LEU 102 21.314 1.651 1.651 789 2HD2 LEU 102 HD21 LEU 102 22.057 2.828 2.828 790 3HD2 LEU 102 HD23 LEU 102 20.316 2.849 2.849 791 H THR 103 HN THR 103 22.898 0.577 0.577 792 HA THR 103 HA THR 103 22.130 -1.037 -1.037 793 HB THR 103 HB THR 103 24.055 -2.113 -2.113 794 HG1 THR 103 HG1 THR 103 25.206 -2.364 -2.364 795 1HG2 THR 103 HG21 THR 103 25.616 0.010 0.010 796 2HG2 THR 103 HG23 THR 103 26.373 -1.442 -1.442 797 3HG2 THR 103 HG22 THR 103 25.589 -0.292 -0.292 798 H ALA 104 HN ALA 104 24.771 -0.849 -0.849 799 HA ALA 104 HA ALA 104 23.090 0.295 0.295 800 1HB ALA 104 HB1 ALA 104 25.614 -1.312 -1.312 801 2HB ALA 104 HB3 ALA 104 25.218 -0.426 -0.426 802 3HB ALA 104 HB2 ALA 104 24.116 -1.660 -1.660 803 H LEU 105 HN LEU 105 25.968 1.175 1.175 804 HA LEU 105 HA LEU 105 27.163 2.999 2.999 805 1HB LEU 105 HB2 LEU 105 26.903 3.504 3.504 806 2HB LEU 105 HB1 LEU 105 28.216 3.957 3.957 807 HG LEU 105 HG LEU 105 27.470 1.149 1.149 808 1HD1 LEU 105 HD12 LEU 105 29.892 2.897 2.897 809 2HD1 LEU 105 HD11 LEU 105 29.734 1.215 1.215 810 3HD1 LEU 105 HD13 LEU 105 28.666 2.445 2.445 811 1HD2 LEU 105 HD22 LEU 105 29.523 2.190 2.190 812 2HD2 LEU 105 HD21 LEU 105 28.223 1.040 1.040 813 3HD2 LEU 105 HD23 LEU 105 29.593 0.570 0.570 814 H GLU 106 HN GLU 106 25.091 4.100 4.100 815 HA GLU 106 HA GLU 106 24.767 6.658 6.658 816 1HB GLU 106 HB2 GLU 106 23.302 5.593 5.593 817 2HB GLU 106 HB1 GLU 106 23.530 7.282 7.282 818 1HG GLU 106 HG2 GLU 106 25.850 5.422 5.422 819 2HG GLU 106 HG1 GLU 106 25.092 6.387 6.387 820 H ALA 107 HN ALA 107 23.280 3.726 3.726 821 HA ALA 107 HA ALA 107 20.542 4.662 4.662 822 1HB ALA 107 HB2 ALA 107 21.950 2.175 2.175 823 2HB ALA 107 HB1 ALA 107 20.236 2.469 2.469 824 3HB ALA 107 HB3 ALA 107 20.851 2.333 2.333 825 H THR 108 HN THR 108 23.051 3.851 3.851 826 HA THR 108 HA THR 108 21.659 5.723 5.723 827 HB THR 108 HB THR 108 20.531 3.531 3.531 828 HG1 THR 108 HG1 THR 108 20.398 4.054 4.054 829 1HG2 THR 108 HG22 THR 108 22.708 2.311 2.311 830 2HG2 THR 108 HG21 THR 108 23.166 2.486 2.486 831 3HG2 THR 108 HG23 THR 108 21.721 1.576 1.576 832 H ASP 109 HN ASP 109 22.734 4.732 4.732 833 HA ASP 109 HA ASP 109 25.658 4.696 4.696 834 1HB ASP 109 HB2 ASP 109 25.171 7.088 7.088 835 2HB ASP 109 HB1 ASP 109 24.138 6.778 6.778 836 H ASN 110 HN ASN 110 22.860 3.466 3.466 837 HA ASN 110 HA ASN 110 23.829 2.914 2.914 838 1HB ASN 110 HB2 ASN 110 21.856 1.515 1.515 839 2HB ASN 110 HB1 ASN 110 21.366 2.998 2.998 840 1HD2 ASN 110 HD21 ASN 110 22.947 1.723 1.723 841 2HD2 ASN 110 HD22 ASN 110 21.785 0.710 0.710 842 H GLN 111 HN GLN 111 25.028 1.159 1.159 843 HA GLN 111 HA GLN 111 26.494 -0.164 -0.164 844 1HB GLN 111 HB2 GLN 111 27.877 0.026 0.026 845 2HB GLN 111 HB1 GLN 111 26.552 0.062 0.062 846 1HG GLN 111 HG2 GLN 111 26.375 -2.417 -2.417 847 2HG GLN 111 HG1 GLN 111 27.766 -2.406 -2.406 848 1HE2 GLN 111 HE21 GLN 111 26.838 -2.380 -2.380 849 2HE2 GLN 111 HE22 GLN 111 28.381 -2.102 -2.102 850 H ALA 112 HN ALA 112 23.399 -1.004 -1.004 851 HA ALA 112 HA ALA 112 23.821 -3.900 -3.900 852 1HB ALA 112 HB1 ALA 112 21.880 -2.899 -2.899 853 2HB ALA 112 HB3 ALA 112 21.269 -2.329 -2.329 854 3HB ALA 112 HB2 ALA 112 21.367 -4.058 -4.058 855 H ILE 113 HN ILE 113 22.576 -1.583 -1.583 856 HA ILE 113 HA ILE 113 22.085 -3.420 -3.420 857 HB ILE 113 HB ILE 113 22.506 -0.460 -0.460 858 1HG1 ILE 113 HG12 ILE 113 20.267 -0.691 -0.691 859 2HG1 ILE 113 HG11 ILE 113 20.270 -2.308 -2.308 860 1HG2 ILE 113 HG22 ILE 113 22.400 -1.931 -1.931 861 2HG2 ILE 113 HG21 ILE 113 22.171 -0.191 -0.191 862 3HG2 ILE 113 HG23 ILE 113 23.715 -0.927 -0.927 863 1HD1 ILE 113 HD11 ILE 113 20.728 -1.066 -1.066 864 2HD1 ILE 113 HD13 ILE 113 20.134 0.356 0.356 865 3HD1 ILE 113 HD12 ILE 113 19.088 -1.048 -1.048 866 H LYS 114 HN LYS 114 24.721 -1.106 -1.106 867 HA LYS 114 HA LYS 114 26.310 -1.910 -1.910 868 1HB LYS 114 HB2 LYS 114 27.700 -1.142 -1.142 869 2HB LYS 114 HB1 LYS 114 27.911 -0.506 -0.506 870 1HG LYS 114 HG2 LYS 114 25.413 0.338 0.338 871 2HG LYS 114 HG1 LYS 114 25.846 0.206 0.206 872 1HD LYS 114 HD2 LYS 114 26.388 2.432 2.432 873 2HD LYS 114 HD1 LYS 114 27.937 1.597 1.597 874 1HE LYS 114 HE2 LYS 114 26.607 1.426 1.426 875 2HE LYS 114 HE1 LYS 114 26.697 3.110 3.110 876 1HZ LYS 114 HZ3 LYS 114 29.128 2.275 2.275 877 2HZ LYS 114 HZ2 LYS 114 28.829 1.263 1.263 878 3HZ LYS 114 HZ1 LYS 114 28.749 2.950 2.950 879 H ALA 115 HN ALA 115 25.332 -3.750 -3.750 880 HA ALA 115 HA ALA 115 27.614 -5.437 -5.437 881 1HB ALA 115 HB2 ALA 115 25.459 -5.471 -5.471 882 2HB ALA 115 HB1 ALA 115 24.740 -6.378 -6.378 883 3HB ALA 115 HB3 ALA 115 26.114 -7.045 -7.045 884 H LEU 116 HN LEU 116 24.949 -5.282 -5.282 885 HA LEU 116 HA LEU 116 25.719 -7.679 -7.679 886 1HB LEU 116 HB2 LEU 116 23.892 -5.390 -5.390 887 2HB LEU 116 HB1 LEU 116 24.579 -6.071 -6.071 888 HG LEU 116 HG LEU 116 22.827 -7.432 -7.432 889 1HD1 LEU 116 HD11 LEU 116 22.718 -7.079 -7.079 890 2HD1 LEU 116 HD13 LEU 116 21.555 -8.015 -8.015 891 3HD1 LEU 116 HD12 LEU 116 21.692 -6.275 -6.275 892 1HD2 LEU 116 HD22 LEU 116 24.823 -8.651 -8.651 893 2HD2 LEU 116 HD21 LEU 116 24.265 -9.227 -9.227 894 3HD2 LEU 116 HD23 LEU 116 23.250 -9.436 -9.436 895 H LEU 117 HN LEU 117 27.109 -4.608 -4.608 896 HA LEU 117 HA LEU 117 28.448 -4.524 -4.524 897 1HB LEU 117 HB2 LEU 117 27.987 -2.611 -2.611 898 2HB LEU 117 HB1 LEU 117 29.671 -3.014 -3.014 899 HG LEU 117 HG LEU 117 29.498 -1.156 -1.156 900 1HD1 LEU 117 HD11 LEU 117 31.349 -2.866 -2.866 901 2HD1 LEU 117 HD13 LEU 117 30.416 -3.685 -3.685 902 3HD1 LEU 117 HD12 LEU 117 31.002 -2.044 -2.044 903 1HD2 LEU 117 HD23 LEU 117 27.335 -2.651 -2.651 904 2HD2 LEU 117 HD22 LEU 117 27.991 -1.160 -1.160 905 3HD2 LEU 117 HD21 LEU 117 28.564 -2.718 -2.718 906 H GLN 118 HN GLN 118 28.634 -6.599 -6.599 907 HA GLN 118 HA GLN 118 31.467 -6.777 -6.777 908 1HB GLN 118 HB2 GLN 118 30.951 -8.865 -8.865 909 2HB GLN 118 HB1 GLN 118 29.619 -7.772 -7.772 910 1HG GLN 118 HG2 GLN 118 28.476 -9.702 -9.702 911 2HG GLN 118 HG1 GLN 118 28.552 -8.810 -8.810 912 1HE2 GLN 118 HE21 GLN 118 29.601 -9.839 -9.839 913 2HE2 GLN 118 HE22 GLN 118 30.505 -11.269 -11.269 Start of MODEL 10 1 1H MET 1 HT3 MET 1 -11.116 -10.055 -10.055 2 2H MET 1 HT2 MET 1 -11.135 -11.028 -11.028 3 3H MET 1 HT1 MET 1 -12.576 -10.334 -10.334 4 HA MET 1 HA MET 1 -12.945 -11.981 -11.981 5 1HB MET 1 HB2 MET 1 -10.546 -13.183 -13.183 6 2HB MET 1 HB1 MET 1 -11.735 -14.089 -14.089 7 1HG MET 1 HG2 MET 1 -12.535 -12.327 -12.327 8 2HG MET 1 HG1 MET 1 -12.097 -14.021 -14.021 9 1HE MET 1 HE3 MET 1 -13.001 -15.885 -15.885 10 2HE MET 1 HE2 MET 1 -14.748 -16.100 -16.100 11 3HE MET 1 HE1 MET 1 -13.981 -15.788 -15.788 12 H CYS 2 HN CYS 2 -12.423 -10.933 -10.933 13 HA CYS 2 HA CYS 2 -11.143 -10.429 -10.429 14 1HB CYS 2 HB2 CYS 2 -10.455 -12.394 -12.394 15 2HB CYS 2 HB1 CYS 2 -11.811 -12.897 -12.897 16 HG CYS 2 HG CYS 2 -10.121 -13.970 -13.970 17 H ASP 3 HN ASP 3 -9.779 -9.495 -9.495 18 HA ASP 3 HA ASP 3 -7.142 -10.394 -10.394 19 1HB ASP 3 HB2 ASP 3 -6.642 -7.910 -7.910 20 2HB ASP 3 HB1 ASP 3 -7.912 -8.645 -8.645 21 H LYS 4 HN LYS 4 -8.347 -8.071 -8.071 22 HA LYS 4 HA LYS 4 -5.954 -7.404 -7.404 23 1HB LYS 4 HB2 LYS 4 -8.738 -7.793 -7.793 24 2HB LYS 4 HB1 LYS 4 -7.410 -7.114 -7.114 25 1HG LYS 4 HG2 LYS 4 -7.974 -5.947 -5.947 26 2HG LYS 4 HG1 LYS 4 -9.060 -5.536 -5.536 27 1HD LYS 4 HD2 LYS 4 -6.093 -5.347 -5.347 28 2HD LYS 4 HD1 LYS 4 -6.912 -4.063 -4.063 29 1HE LYS 4 HE2 LYS 4 -8.486 -3.762 -3.762 30 2HE LYS 4 HE1 LYS 4 -7.667 -5.043 -5.043 31 1HZ LYS 4 HZ3 LYS 4 -5.650 -3.387 -3.387 32 2HZ LYS 4 HZ2 LYS 4 -6.910 -2.306 -2.306 33 3HZ LYS 4 HZ1 LYS 4 -6.389 -3.425 -3.425 34 H GLU 5 HN GLU 5 -8.213 -9.906 -9.906 35 HA GLU 5 HA GLU 5 -6.643 -11.024 -11.024 36 1HB GLU 5 HB2 GLU 5 -8.984 -11.735 -11.735 37 2HB GLU 5 HB1 GLU 5 -8.142 -12.797 -12.797 38 1HG GLU 5 HG2 GLU 5 -6.846 -13.676 -13.676 39 2HG GLU 5 HG1 GLU 5 -8.046 -12.845 -12.845 40 H PHE 6 HN PHE 6 -6.202 -11.461 -11.461 41 HA PHE 6 HA PHE 6 -4.249 -13.586 -13.586 42 1HB PHE 6 HB2 PHE 6 -5.255 -13.545 -13.545 43 2HB PHE 6 HB1 PHE 6 -5.137 -11.796 -11.796 44 HD1 PHE 6 HD2 PHE 6 -2.434 -14.171 -14.171 45 HD2 PHE 6 HD1 PHE 6 -3.950 -11.540 -11.540 46 HE1 PHE 6 HE2 PHE 6 -0.315 -14.407 -14.407 47 HE2 PHE 6 HE1 PHE 6 -1.831 -11.778 -11.778 48 HZ PHE 6 HZ PHE 6 -0.014 -13.212 -13.212 49 H MET 7 HN MET 7 -3.675 -10.293 -10.293 50 HA MET 7 HA MET 7 -0.880 -10.412 -10.412 51 1HB MET 7 HB2 MET 7 -0.742 -8.310 -8.310 52 2HB MET 7 HB1 MET 7 -2.293 -8.819 -8.819 53 1HG MET 7 HG2 MET 7 -3.329 -7.746 -7.746 54 2HG MET 7 HG1 MET 7 -1.760 -6.973 -6.973 55 1HE MET 7 HE2 MET 7 -4.698 -7.707 -7.707 56 2HE MET 7 HE1 MET 7 -4.966 -6.351 -6.351 57 3HE MET 7 HE3 MET 7 -3.838 -7.638 -7.638 58 H TRP 8 HN TRP 8 -3.641 -9.286 -9.286 59 HA TRP 8 HA TRP 8 -2.251 -7.778 -7.778 60 1HB TRP 8 HB2 TRP 8 -4.779 -8.065 -8.065 61 2HB TRP 8 HB1 TRP 8 -4.577 -9.619 -9.619 62 HD1 TRP 8 HD1 TRP 8 -4.232 -9.613 -9.613 63 HE1 TRP 8 HE1 TRP 8 -4.103 -7.768 -7.768 64 HE3 TRP 8 HE3 TRP 8 -3.943 -5.485 -5.485 65 HZ2 TRP 8 HZ2 TRP 8 -3.901 -4.918 -4.918 66 HZ3 TRP 8 HZ3 TRP 8 -3.782 -3.220 -3.220 67 HH2 TRP 8 HH2 TRP 8 -3.761 -2.931 -2.931 68 H ALA 9 HN ALA 9 -1.763 -10.960 -10.960 69 HA ALA 9 HA ALA 9 -1.083 -11.940 -11.940 70 1HB ALA 9 HB1 ALA 9 -0.770 -13.160 -13.160 71 2HB ALA 9 HB3 ALA 9 -0.298 -13.970 -13.970 72 3HB ALA 9 HB2 ALA 9 -1.989 -13.563 -13.563 73 H LEU 10 HN LEU 10 0.649 -11.132 -11.132 74 HA LEU 10 HA LEU 10 3.291 -11.576 -11.576 75 1HB LEU 10 HB2 LEU 10 2.466 -9.085 -9.085 76 2HB LEU 10 HB1 LEU 10 3.995 -9.943 -9.943 77 HG LEU 10 HG LEU 10 1.683 -11.630 -11.630 78 1HD1 LEU 10 HD11 LEU 10 0.968 -9.335 -9.335 79 2HD1 LEU 10 HD13 LEU 10 2.400 -9.329 -9.329 80 3HD1 LEU 10 HD12 LEU 10 1.147 -10.542 -10.542 81 1HD2 LEU 10 HD23 LEU 10 4.136 -12.135 -12.135 82 2HD2 LEU 10 HD22 LEU 10 3.157 -12.263 -12.263 83 3HD2 LEU 10 HD21 LEU 10 4.163 -10.840 -10.840 84 H LYS 11 HN LYS 11 0.961 -9.403 -9.403 85 HA LYS 11 HA LYS 11 2.803 -7.395 -7.395 86 1HB LYS 11 HB2 LYS 11 0.612 -6.741 -6.741 87 2HB LYS 11 HB1 LYS 11 -0.162 -7.854 -7.854 88 1HG LYS 11 HG2 LYS 11 0.544 -6.587 -6.587 89 2HG LYS 11 HG1 LYS 11 1.652 -5.616 -5.616 90 1HD LYS 11 HD2 LYS 11 -0.085 -4.426 -4.426 91 2HD LYS 11 HD1 LYS 11 -1.287 -5.661 -5.661 92 1HE LYS 11 HE2 LYS 11 -1.342 -3.498 -3.498 93 2HE LYS 11 HE1 LYS 11 -1.389 -5.028 -5.028 94 1HZ LYS 11 HZ3 LYS 11 1.045 -3.406 -3.406 95 2HZ LYS 11 HZ2 LYS 11 0.211 -3.500 -3.500 96 3HZ LYS 11 HZ1 LYS 11 0.992 -4.872 -4.872 97 H ASN 12 HN ASN 12 0.256 -9.054 -9.054 98 HA ASN 12 HA ASN 12 1.822 -8.717 -8.717 99 1HB ASN 12 HB2 ASN 12 -0.781 -8.767 -8.767 100 2HB ASN 12 HB1 ASN 12 -0.582 -10.493 -10.493 101 1HD2 ASN 12 HD21 ASN 12 1.374 -10.566 -10.566 102 2HD2 ASN 12 HD22 ASN 12 0.821 -9.770 -9.770 103 H GLY 13 HN GLY 13 2.942 -10.546 -10.546 104 1HA GLY 13 HA2 GLY 13 4.150 -12.536 -12.536 105 2HA GLY 13 HA1 GLY 13 3.980 -12.505 -12.505 106 H ASP 14 HN ASP 14 1.025 -12.495 -12.495 107 HA ASP 14 HA ASP 14 0.250 -15.016 -15.016 108 1HB ASP 14 HB2 ASP 14 -1.148 -14.008 -14.008 109 2HB ASP 14 HB1 ASP 14 -1.796 -14.671 -14.671 110 H LEU 15 HN LEU 15 2.561 -15.430 -15.430 111 HA LEU 15 HA LEU 15 3.098 -16.187 -16.187 112 1HB LEU 15 HB2 LEU 15 4.631 -16.196 -16.196 113 2HB LEU 15 HB1 LEU 15 3.854 -17.663 -17.663 114 HG LEU 15 HG LEU 15 6.108 -17.752 -17.752 115 1HD1 LEU 15 HD12 LEU 15 3.746 -19.547 -19.547 116 2HD1 LEU 15 HD11 LEU 15 5.005 -19.943 -19.943 117 3HD1 LEU 15 HD13 LEU 15 5.392 -19.828 -19.828 118 1HD2 LEU 15 HD22 LEU 15 5.081 -16.475 -16.475 119 2HD2 LEU 15 HD21 LEU 15 5.850 -17.999 -17.999 120 3HD2 LEU 15 HD23 LEU 15 4.097 -17.902 -17.902 121 H ASP 16 HN ASP 16 1.074 -17.848 -17.848 122 HA ASP 16 HA ASP 16 0.879 -20.361 -20.361 123 1HB ASP 16 HB2 ASP 16 -1.263 -19.029 -19.029 124 2HB ASP 16 HB1 ASP 16 -0.995 -20.754 -20.754 125 H GLU 17 HN GLU 17 -0.694 -17.260 -17.260 126 HA GLU 17 HA GLU 17 -2.789 -18.312 -18.312 127 1HB GLU 17 HB2 GLU 17 -1.912 -15.601 -15.601 128 2HB GLU 17 HB1 GLU 17 -2.951 -15.722 -15.722 129 1HG GLU 17 HG2 GLU 17 -4.617 -16.964 -16.964 130 2HG GLU 17 HG1 GLU 17 -3.556 -17.010 -17.010 131 H VAL 18 HN VAL 18 0.216 -16.407 -16.407 132 HA VAL 18 HA VAL 18 -0.149 -16.377 -16.377 133 HB VAL 18 HB VAL 18 2.585 -16.397 -16.397 134 1HG1 VAL 18 HG11 VAL 18 0.593 -14.161 -14.161 135 2HG1 VAL 18 HG13 VAL 18 2.333 -13.868 -13.868 136 3HG1 VAL 18 HG12 VAL 18 1.516 -14.589 -14.589 137 1HG2 VAL 18 HG22 VAL 18 2.049 -16.770 -16.770 138 2HG2 VAL 18 HG21 VAL 18 3.264 -15.580 -15.580 139 3HG2 VAL 18 HG23 VAL 18 1.636 -15.056 -15.056 140 H LYS 19 HN LYS 19 1.249 -18.630 -18.630 141 HA LYS 19 HA LYS 19 2.576 -20.452 -20.452 142 1HB LYS 19 HB2 LYS 19 0.966 -20.589 -20.589 143 2HB LYS 19 HB1 LYS 19 1.414 -22.111 -22.111 144 1HG LYS 19 HG2 LYS 19 3.563 -20.060 -20.060 145 2HG LYS 19 HG1 LYS 19 3.002 -20.868 -20.868 146 1HD LYS 19 HD2 LYS 19 3.417 -23.056 -23.056 147 2HD LYS 19 HD1 LYS 19 3.912 -22.295 -22.295 148 1HE LYS 19 HE2 LYS 19 5.936 -22.757 -22.757 149 2HE LYS 19 HE1 LYS 19 5.668 -21.052 -21.052 150 1HZ LYS 19 HZ2 LYS 19 4.516 -21.798 -21.798 151 2HZ LYS 19 HZ1 LYS 19 5.237 -23.313 -23.313 152 3HZ LYS 19 HZ3 LYS 19 6.210 -21.942 -21.942 153 H ASP 20 HN ASP 20 -0.888 -20.196 -20.196 154 HA ASP 20 HA ASP 20 -1.625 -22.562 -22.562 155 1HB ASP 20 HB2 ASP 20 -2.974 -21.109 -21.109 156 2HB ASP 20 HB1 ASP 20 -3.467 -20.206 -20.206 157 H TYR 21 HN TYR 21 -1.720 -19.128 -19.128 158 HA TYR 21 HA TYR 21 -2.832 -19.576 -19.576 159 1HB TYR 21 HB2 TYR 21 -0.981 -17.431 -17.431 160 2HB TYR 21 HB1 TYR 21 -1.603 -17.410 -17.410 161 HD1 TYR 21 HD2 TYR 21 -4.047 -17.252 -17.252 162 HD2 TYR 21 HD1 TYR 21 -2.414 -16.975 -16.975 163 HE1 TYR 21 HE2 TYR 21 -6.195 -16.323 -16.323 164 HE2 TYR 21 HE1 TYR 21 -4.563 -16.049 -16.049 165 HH TYR 21 HH TYR 21 -7.281 -15.461 -15.461 166 H VAL 22 HN VAL 22 0.684 -19.270 -19.270 167 HA VAL 22 HA VAL 22 1.437 -19.968 -19.968 168 HB VAL 22 HB VAL 22 2.916 -18.802 -18.802 169 1HG1 VAL 22 HG13 VAL 22 2.489 -20.315 -20.315 170 2HG1 VAL 22 HG12 VAL 22 3.265 -21.635 -21.635 171 3HG1 VAL 22 HG11 VAL 22 4.210 -20.235 -20.235 172 1HG2 VAL 22 HG23 VAL 22 3.960 -21.283 -21.283 173 2HG2 VAL 22 HG22 VAL 22 3.807 -19.675 -19.675 174 3HG2 VAL 22 HG21 VAL 22 4.968 -19.965 -19.965 175 H ALA 23 HN ALA 23 0.307 -21.853 -21.853 176 HA ALA 23 HA ALA 23 1.572 -24.341 -24.341 177 1HB ALA 23 HB3 ALA 23 -0.104 -23.736 -23.736 178 2HB ALA 23 HB2 ALA 23 -1.358 -24.111 -24.111 179 3HB ALA 23 HB1 ALA 23 -0.210 -25.355 -25.355 180 H LYS 24 HN LYS 24 -0.711 -22.481 -22.481 181 HA LYS 24 HA LYS 24 -1.999 -24.433 -24.433 182 1HB LYS 24 HB2 LYS 24 -1.235 -21.555 -21.555 183 2HB LYS 24 HB1 LYS 24 -1.940 -22.484 -22.484 184 1HG LYS 24 HG2 LYS 24 -3.260 -22.542 -22.542 185 2HG LYS 24 HG1 LYS 24 -3.505 -21.144 -21.144 186 1HD LYS 24 HD2 LYS 24 -4.627 -22.379 -22.379 187 2HD LYS 24 HD1 LYS 24 -3.839 -23.889 -23.889 188 1HE LYS 24 HE2 LYS 24 -5.235 -24.192 -24.192 189 2HE LYS 24 HE1 LYS 24 -5.713 -22.496 -22.496 190 1HZ LYS 24 HZ3 LYS 24 -6.342 -24.080 -24.080 191 2HZ LYS 24 HZ2 LYS 24 -7.280 -24.316 -24.316 192 3HZ LYS 24 HZ1 LYS 24 -7.184 -22.776 -22.776 193 H GLY 25 HN GLY 25 0.484 -22.362 -22.362 194 1HA GLY 25 HA2 GLY 25 2.238 -24.568 -24.568 195 2HA GLY 25 HA1 GLY 25 1.249 -24.128 -24.128 196 H GLU 26 HN GLU 26 3.730 -23.028 -23.028 197 HA GLU 26 HA GLU 26 5.071 -21.073 -21.073 198 1HB GLU 26 HB2 GLU 26 6.347 -21.085 -21.085 199 2HB GLU 26 HB1 GLU 26 6.512 -22.461 -22.461 200 1HG GLU 26 HG2 GLU 26 4.821 -23.698 -23.698 201 2HG GLU 26 HG1 GLU 26 4.574 -22.308 -22.308 202 H ASP 27 HN ASP 27 4.022 -19.174 -19.174 203 HA ASP 27 HA ASP 27 3.576 -17.728 -17.728 204 1HB ASP 27 HB2 ASP 27 1.427 -18.048 -18.048 205 2HB ASP 27 HB1 ASP 27 1.350 -16.900 -16.900 206 H VAL 28 HN VAL 28 5.492 -17.702 -17.702 207 HA VAL 28 HA VAL 28 4.849 -15.420 -15.420 208 HB VAL 28 HB VAL 28 7.256 -15.678 -15.678 209 1HG1 VAL 28 HG12 VAL 28 5.380 -16.867 -16.867 210 2HG1 VAL 28 HG11 VAL 28 5.564 -18.195 -18.195 211 3HG1 VAL 28 HG13 VAL 28 6.852 -17.838 -17.838 212 1HG2 VAL 28 HG22 VAL 28 7.775 -16.733 -16.733 213 2HG2 VAL 28 HG21 VAL 28 8.648 -17.290 -17.290 214 3HG2 VAL 28 HG23 VAL 28 7.299 -18.232 -18.232 215 H ASN 29 HN ASN 29 4.369 -14.155 -14.155 216 HA ASN 29 HA ASN 29 6.346 -12.148 -12.148 217 1HB ASN 29 HB2 ASN 29 6.653 -12.648 -12.648 218 2HB ASN 29 HB1 ASN 29 7.636 -13.553 -13.553 219 1HD2 ASN 29 HD21 ASN 29 6.742 -15.766 -15.766 220 2HD2 ASN 29 HD22 ASN 29 5.846 -16.617 -16.617 221 H ARG 30 HN ARG 30 3.576 -12.363 -12.363 222 HA ARG 30 HA ARG 30 2.271 -11.250 -11.250 223 1HB ARG 30 HB2 ARG 30 1.064 -12.285 -12.285 224 2HB ARG 30 HB1 ARG 30 0.150 -11.690 -11.690 225 1HG ARG 30 HG2 ARG 30 1.246 -13.465 -13.465 226 2HG ARG 30 HG1 ARG 30 1.968 -14.114 -14.114 227 1HD ARG 30 HD2 ARG 30 -1.014 -13.704 -13.704 228 2HD ARG 30 HD1 ARG 30 -0.207 -15.225 -15.225 229 HE ARG 30 HE ARG 30 0.626 -14.686 -14.686 230 1HH1 ARG 30 HH21 ARG 30 -2.395 -14.854 -14.854 231 2HH1 ARG 30 HH22 ARG 30 -3.277 -15.400 -15.400 232 1HH2 ARG 30 HH11 ARG 30 -0.511 -15.399 -15.399 233 2HH2 ARG 30 HH12 ARG 30 -2.210 -15.712 -15.712 234 H THR 31 HN THR 31 2.403 -9.031 -9.031 235 HA THR 31 HA THR 31 2.914 -7.393 -7.393 236 HB THR 31 HB THR 31 1.250 -6.451 -6.451 237 HG1 THR 31 HG1 THR 31 2.819 -6.897 -6.897 238 1HG2 THR 31 HG21 THR 31 1.978 -5.006 -5.006 239 2HG2 THR 31 HG23 THR 31 3.591 -5.086 -5.086 240 3HG2 THR 31 HG22 THR 31 2.261 -4.364 -4.364 241 H LEU 32 HN LEU 32 1.521 -7.978 -7.978 242 HA LEU 32 HA LEU 32 -1.335 -8.179 -8.179 243 1HB LEU 32 HB2 LEU 32 -1.558 -8.594 -8.594 244 2HB LEU 32 HB1 LEU 32 -0.237 -9.544 -9.544 245 HG LEU 32 HG LEU 32 0.438 -8.636 -8.636 246 1HD1 LEU 32 HD13 LEU 32 2.069 -8.632 -8.632 247 2HD1 LEU 32 HD12 LEU 32 1.818 -6.883 -6.883 248 3HD1 LEU 32 HD11 LEU 32 2.488 -7.641 -7.641 249 1HD2 LEU 32 HD22 LEU 32 -1.208 -6.535 -6.535 250 2HD2 LEU 32 HD21 LEU 32 0.058 -6.513 -6.513 251 3HD2 LEU 32 HD23 LEU 32 0.354 -5.795 -5.795 252 H GLU 33 HN GLU 33 0.755 -5.518 -5.518 253 HA GLU 33 HA GLU 33 -1.525 -3.911 -3.911 254 1HB GLU 33 HB2 GLU 33 0.686 -3.512 -3.512 255 2HB GLU 33 HB1 GLU 33 1.338 -3.111 -3.111 256 1HG GLU 33 HG2 GLU 33 0.016 -1.144 -1.144 257 2HG GLU 33 HG1 GLU 33 -1.038 -1.646 -1.646 258 H GLY 34 HN GLY 34 0.855 -2.712 -2.712 259 1HA GLY 34 HA2 GLY 34 -0.941 -2.733 -2.733 260 2HA GLY 34 HA1 GLY 34 -0.738 -1.124 -1.124 261 H GLY 35 HN GLY 35 1.988 -2.168 -2.168 262 1HA GLY 35 HA2 GLY 35 3.548 -2.487 -2.487 263 2HA GLY 35 HA1 GLY 35 3.715 -0.888 -0.888 264 H ARG 36 HN ARG 36 3.024 -3.489 -3.489 265 HA ARG 36 HA ARG 36 5.899 -3.605 -3.605 266 1HB ARG 36 HB2 ARG 36 3.594 -3.763 -3.763 267 2HB ARG 36 HB1 ARG 36 5.286 -3.409 -3.409 268 1HG ARG 36 HG2 ARG 36 4.898 -1.318 -1.318 269 2HG ARG 36 HG1 ARG 36 3.188 -1.617 -1.617 270 1HD ARG 36 HD2 ARG 36 4.033 -1.784 -1.784 271 2HD ARG 36 HD1 ARG 36 5.353 -0.790 -0.790 272 HE ARG 36 HE ARG 36 2.750 0.138 0.138 273 1HH1 ARG 36 HH21 ARG 36 4.979 0.297 0.297 274 2HH1 ARG 36 HH22 ARG 36 4.298 1.750 1.750 275 1HH2 ARG 36 HH11 ARG 36 1.865 2.022 2.022 276 2HH2 ARG 36 HH12 ARG 36 2.538 2.725 2.725 277 H LYS 37 HN LYS 37 6.629 -5.640 -5.640 278 HA LYS 37 HA LYS 37 4.875 -7.935 -7.935 279 1HB LYS 37 HB2 LYS 37 7.387 -8.946 -8.946 280 2HB LYS 37 HB1 LYS 37 6.837 -8.618 -8.618 281 1HG LYS 37 HG2 LYS 37 8.940 -7.475 -7.475 282 2HG LYS 37 HG1 LYS 37 7.666 -6.264 -6.264 283 1HD LYS 37 HD2 LYS 37 7.613 -6.527 -6.527 284 2HD LYS 37 HD1 LYS 37 9.200 -7.249 -7.249 285 1HE LYS 37 HE2 LYS 37 8.318 -4.451 -4.451 286 2HE LYS 37 HE1 LYS 37 9.613 -4.937 -4.937 287 1HZ LYS 37 HZ1 LYS 37 10.479 -6.098 -6.098 288 2HZ LYS 37 HZ3 LYS 37 9.572 -4.872 -4.872 289 3HZ LYS 37 HZ2 LYS 37 10.821 -4.467 -4.467 290 HA PRO 38 HA PRO 38 4.184 -9.201 -9.201 291 1HB PRO 38 HB2 PRO 38 4.747 -11.950 -11.950 292 2HB PRO 38 HB1 PRO 38 3.200 -11.176 -11.176 293 1HG PRO 38 HG2 PRO 38 5.201 -12.283 -12.283 294 2HG PRO 38 HG1 PRO 38 3.505 -11.875 -11.875 295 1HD PRO 38 HD2 PRO 38 5.769 -10.397 -10.397 296 2HD PRO 38 HD1 PRO 38 4.078 -9.863 -9.863 297 H LEU 39 HN LEU 39 7.154 -8.581 -8.581 298 HA LEU 39 HA LEU 39 8.397 -10.232 -10.232 299 1HB LEU 39 HB2 LEU 39 9.284 -10.254 -10.254 300 2HB LEU 39 HB1 LEU 39 9.945 -8.678 -8.678 301 HG LEU 39 HG LEU 39 11.652 -9.576 -9.576 302 1HD1 LEU 39 HD13 LEU 39 10.210 -10.182 -10.182 303 2HD1 LEU 39 HD12 LEU 39 9.799 -11.704 -11.704 304 3HD1 LEU 39 HD11 LEU 39 11.449 -11.393 -11.393 305 1HD2 LEU 39 HD22 LEU 39 11.455 -11.015 -11.015 306 2HD2 LEU 39 HD21 LEU 39 12.391 -11.710 -11.710 307 3HD2 LEU 39 HD23 LEU 39 10.737 -12.253 -12.253 308 H HIS 40 HN HIS 40 7.612 -7.001 -7.001 309 HA HIS 40 HA HIS 40 9.491 -5.625 -5.625 310 1HB HIS 40 HB2 HIS 40 8.373 -4.577 -4.577 311 2HB HIS 40 HB1 HIS 40 6.854 -4.598 -4.598 312 HD1 HIS 40 HD1 HIS 40 10.303 -3.044 -3.044 313 HD2 HIS 40 HD2 HIS 40 6.611 -2.584 -2.584 314 HE1 HIS 40 HE1 HIS 40 10.452 -0.912 -0.912 315 H TYR 41 HN TYR 41 6.029 -6.461 -6.461 316 HA TYR 41 HA TYR 41 5.772 -5.276 -5.276 317 1HB TYR 41 HB2 TYR 41 4.183 -7.657 -7.657 318 2HB TYR 41 HB1 TYR 41 3.655 -6.326 -6.326 319 HD1 TYR 41 HD1 TYR 41 4.610 -7.266 -7.266 320 HD2 TYR 41 HD2 TYR 41 2.900 -4.263 -4.263 321 HE1 TYR 41 HE1 TYR 41 3.876 -5.990 -5.990 322 HE2 TYR 41 HE2 TYR 41 2.165 -2.993 -2.993 323 HH TYR 41 HH TYR 41 1.685 -3.356 -3.356 324 H ALA 42 HN ALA 42 6.567 -8.496 -8.496 325 HA ALA 42 HA ALA 42 6.743 -9.778 -9.778 326 1HB ALA 42 HB3 ALA 42 6.675 -10.889 -10.889 327 2HB ALA 42 HB2 ALA 42 8.385 -10.473 -10.473 328 3HB ALA 42 HB1 ALA 42 7.833 -11.559 -11.559 329 H ALA 43 HN ALA 43 9.248 -8.550 -8.550 330 HA ALA 43 HA ALA 43 11.436 -8.793 -8.793 331 1HB ALA 43 HB1 ALA 43 10.932 -6.675 -6.675 332 2HB ALA 43 HB3 ALA 43 12.500 -7.049 -7.049 333 3HB ALA 43 HB2 ALA 43 11.678 -8.248 -8.248 334 H ASP 44 HN ASP 44 9.569 -5.844 -5.844 335 HA ASP 44 HA ASP 44 10.618 -4.184 -4.184 336 1HB ASP 44 HB2 ASP 44 9.150 -3.443 -3.443 337 2HB ASP 44 HB1 ASP 44 7.774 -4.179 -4.179 338 H CYS 45 HN CYS 45 7.960 -6.556 -6.556 339 HA CYS 45 HA CYS 45 8.300 -6.377 -6.377 340 1HB CYS 45 HB2 CYS 45 5.780 -5.435 -5.435 341 2HB CYS 45 HB1 CYS 45 5.831 -5.866 -5.866 342 HG CYS 45 HG CYS 45 7.622 -3.572 -3.572 343 H GLY 46 HN GLY 46 8.765 -8.649 -8.649 344 1HA GLY 46 HA2 GLY 46 6.245 -10.266 -10.266 345 2HA GLY 46 HA1 GLY 46 7.552 -10.692 -10.692 346 H GLN 47 HN GLN 47 7.817 -9.573 -9.573 347 HA GLN 47 HA GLN 47 9.213 -10.481 -10.481 348 1HB GLN 47 HB2 GLN 47 8.297 -13.170 -13.170 349 2HB GLN 47 HB1 GLN 47 7.774 -11.848 -11.848 350 1HG GLN 47 HG2 GLN 47 6.590 -12.546 -12.546 351 2HG GLN 47 HG1 GLN 47 5.857 -12.888 -12.888 352 1HE2 GLN 47 HE21 GLN 47 6.413 -10.438 -10.438 353 2HE2 GLN 47 HE22 GLN 47 5.550 -9.205 -9.205 354 H LEU 48 HN LEU 48 10.051 -10.734 -10.734 355 HA LEU 48 HA LEU 48 11.842 -11.568 -11.568 356 1HB LEU 48 HB2 LEU 48 12.689 -12.446 -12.446 357 2HB LEU 48 HB1 LEU 48 13.705 -12.517 -12.517 358 HG LEU 48 HG LEU 48 14.345 -10.419 -10.419 359 1HD1 LEU 48 HD12 LEU 48 12.820 -9.846 -9.846 360 2HD1 LEU 48 HD11 LEU 48 11.497 -9.650 -9.650 361 3HD1 LEU 48 HD13 LEU 48 12.874 -8.559 -8.559 362 1HD2 LEU 48 HD23 LEU 48 11.934 -10.372 -10.372 363 2HD2 LEU 48 HD22 LEU 48 13.626 -10.558 -10.558 364 3HD2 LEU 48 HD21 LEU 48 13.044 -9.008 -9.008 365 H GLU 49 HN GLU 49 9.589 -13.561 -13.561 366 HA GLU 49 HA GLU 49 10.982 -16.055 -16.055 367 1HB GLU 49 HB2 GLU 49 8.710 -17.099 -17.099 368 2HB GLU 49 HB1 GLU 49 9.719 -16.445 -16.445 369 1HG GLU 49 HG2 GLU 49 8.439 -14.372 -14.372 370 2HG GLU 49 HG1 GLU 49 7.490 -14.925 -14.925 371 H ILE 50 HN ILE 50 8.275 -13.987 -13.987 372 HA ILE 50 HA ILE 50 7.205 -15.587 -15.587 373 HB ILE 50 HB ILE 50 7.167 -12.588 -12.588 374 1HG1 ILE 50 HG12 ILE 50 5.951 -14.771 -14.771 375 2HG1 ILE 50 HG11 ILE 50 6.053 -13.064 -13.064 376 1HG2 ILE 50 HG23 ILE 50 6.453 -13.476 -13.476 377 2HG2 ILE 50 HG22 ILE 50 5.209 -14.410 -14.410 378 3HG2 ILE 50 HG21 ILE 50 5.172 -12.648 -12.648 379 1HD1 ILE 50 HD13 ILE 50 4.058 -14.146 -14.146 380 2HD1 ILE 50 HD12 ILE 50 3.701 -14.033 -14.033 381 3HD1 ILE 50 HD11 ILE 50 4.060 -12.573 -12.573 382 H LEU 51 HN LEU 51 9.721 -13.073 -13.073 383 HA LEU 51 HA LEU 51 9.835 -12.986 -12.986 384 1HB LEU 51 HB2 LEU 51 12.437 -12.460 -12.460 385 2HB LEU 51 HB1 LEU 51 11.169 -11.253 -11.253 386 HG LEU 51 HG LEU 51 12.509 -11.067 -11.067 387 1HD1 LEU 51 HD11 LEU 51 9.703 -11.291 -11.291 388 2HD1 LEU 51 HD13 LEU 51 10.234 -12.128 -12.128 389 3HD1 LEU 51 HD12 LEU 51 10.702 -10.455 -10.455 390 1HD2 LEU 51 HD21 LEU 51 13.014 -13.622 -13.622 391 2HD2 LEU 51 HD23 LEU 51 12.941 -12.780 -12.780 392 3HD2 LEU 51 HD22 LEU 51 11.567 -13.747 -13.747 393 H GLU 52 HN GLU 52 11.841 -14.857 -14.857 394 HA GLU 52 HA GLU 52 13.331 -16.288 -16.288 395 1HB GLU 52 HB2 GLU 52 12.737 -16.517 -16.517 396 2HB GLU 52 HB1 GLU 52 12.876 -18.102 -18.102 397 1HG GLU 52 HG2 GLU 52 14.933 -15.956 -15.956 398 2HG GLU 52 HG1 GLU 52 15.031 -17.005 -17.005 399 H PHE 53 HN PHE 53 10.033 -16.725 -16.725 400 HA PHE 53 HA PHE 53 9.678 -19.409 -19.409 401 1HB PHE 53 HB2 PHE 53 8.078 -18.419 -18.419 402 2HB PHE 53 HB1 PHE 53 7.673 -17.174 -17.174 403 HD1 PHE 53 HD1 PHE 53 8.030 -20.923 -20.923 404 HD2 PHE 53 HD2 PHE 53 5.632 -17.500 -17.500 405 HE1 PHE 53 HE1 PHE 53 6.335 -22.411 -22.411 406 HE2 PHE 53 HE2 PHE 53 3.934 -18.995 -18.995 407 HZ PHE 53 HZ PHE 53 4.286 -21.451 -21.451 408 H LEU 54 HN LEU 54 7.803 -16.831 -16.831 409 HA LEU 54 HA LEU 54 7.496 -18.256 -18.256 410 1HB LEU 54 HB2 LEU 54 7.257 -15.742 -15.742 411 2HB LEU 54 HB1 LEU 54 6.009 -16.542 -16.542 412 HG LEU 54 HG LEU 54 6.732 -15.462 -15.462 413 1HD1 LEU 54 HD11 LEU 54 9.086 -14.728 -14.728 414 2HD1 LEU 54 HD13 LEU 54 8.596 -13.624 -13.624 415 3HD1 LEU 54 HD12 LEU 54 9.041 -15.279 -15.279 416 1HD2 LEU 54 HD23 LEU 54 5.272 -14.202 -14.202 417 2HD2 LEU 54 HD22 LEU 54 6.210 -13.162 -13.162 418 3HD2 LEU 54 HD21 LEU 54 6.727 -13.402 -13.402 419 H LEU 55 HN LEU 55 10.320 -16.734 -16.734 420 HA LEU 55 HA LEU 55 11.412 -16.155 -16.155 421 1HB LEU 55 HB2 LEU 55 12.088 -15.025 -15.025 422 2HB LEU 55 HB1 LEU 55 12.998 -16.487 -16.487 423 HG LEU 55 HG LEU 55 13.350 -14.898 -14.898 424 1HD1 LEU 55 HD12 LEU 55 14.706 -14.670 -14.670 425 2HD1 LEU 55 HD11 LEU 55 15.518 -14.178 -14.178 426 3HD1 LEU 55 HD13 LEU 55 14.021 -13.384 -13.384 427 1HD2 LEU 55 HD23 LEU 55 14.601 -17.312 -17.312 428 2HD2 LEU 55 HD22 LEU 55 14.399 -16.893 -16.893 429 3HD2 LEU 55 HD21 LEU 55 15.701 -16.169 -16.169 430 H LEU 56 HN LEU 56 11.858 -18.763 -18.763 431 HA LEU 56 HA LEU 56 13.789 -20.148 -20.148 432 1HB LEU 56 HB2 LEU 56 13.047 -22.235 -22.235 433 2HB LEU 56 HB1 LEU 56 13.783 -20.910 -20.910 434 HG LEU 56 HG LEU 56 11.307 -20.111 -20.111 435 1HD1 LEU 56 HD12 LEU 56 11.012 -23.044 -23.044 436 2HD1 LEU 56 HD11 LEU 56 9.800 -22.135 -22.135 437 3HD1 LEU 56 HD13 LEU 56 10.188 -21.678 -21.678 438 1HD2 LEU 56 HD21 LEU 56 12.502 -22.528 -22.528 439 2HD2 LEU 56 HD23 LEU 56 12.791 -20.837 -20.837 440 3HD2 LEU 56 HD22 LEU 56 11.193 -21.540 -21.540 441 H LYS 57 HN LYS 57 10.412 -19.809 -19.809 442 HA LYS 57 HA LYS 57 9.947 -22.152 -22.152 443 1HB LYS 57 HB2 LYS 57 8.074 -21.023 -21.023 444 2HB LYS 57 HB1 LYS 57 8.421 -19.538 -19.538 445 1HG LYS 57 HG2 LYS 57 6.566 -20.618 -20.618 446 2HG LYS 57 HG1 LYS 57 7.977 -20.752 -20.752 447 1HD LYS 57 HD2 LYS 57 6.624 -22.870 -22.870 448 2HD LYS 57 HD1 LYS 57 8.323 -23.046 -23.046 449 1HE LYS 57 HE2 LYS 57 6.498 -24.066 -24.066 450 2HE LYS 57 HE1 LYS 57 7.874 -23.229 -23.229 451 1HZ LYS 57 HZ3 LYS 57 6.283 -21.179 -21.179 452 2HZ LYS 57 HZ2 LYS 57 5.077 -22.375 -22.375 453 3HZ LYS 57 HZ1 LYS 57 6.167 -22.208 -22.208 454 H GLY 58 HN GLY 58 9.187 -18.973 -18.973 455 1HA GLY 58 HA2 GLY 58 10.840 -19.482 -19.482 456 2HA GLY 58 HA1 GLY 58 9.676 -18.166 -18.166 457 H ALA 59 HN ALA 59 10.688 -16.171 -16.171 458 HA ALA 59 HA ALA 59 12.448 -15.565 -15.565 459 1HB ALA 59 HB3 ALA 59 13.817 -16.846 -16.846 460 2HB ALA 59 HB2 ALA 59 14.574 -15.368 -15.368 461 3HB ALA 59 HB1 ALA 59 14.311 -16.714 -16.714 462 H ASP 60 HN ASP 60 11.005 -13.730 -13.730 463 HA ASP 60 HA ASP 60 11.406 -11.943 -11.943 464 1HB ASP 60 HB2 ASP 60 9.220 -11.999 -11.999 465 2HB ASP 60 HB1 ASP 60 9.997 -11.510 -11.510 466 H ILE 61 HN ILE 61 13.330 -12.906 -12.906 467 HA ILE 61 HA ILE 61 14.335 -10.706 -10.706 468 HB ILE 61 HB ILE 61 14.929 -13.131 -13.131 469 1HG1 ILE 61 HG12 ILE 61 17.173 -11.123 -11.123 470 2HG1 ILE 61 HG11 ILE 61 16.298 -11.521 -11.521 471 1HG2 ILE 61 HG21 ILE 61 15.330 -13.320 -13.320 472 2HG2 ILE 61 HG23 ILE 61 16.939 -12.697 -12.697 473 3HG2 ILE 61 HG22 ILE 61 16.398 -14.214 -14.214 474 1HD1 ILE 61 HD13 ILE 61 17.187 -13.994 -13.994 475 2HD1 ILE 61 HD12 ILE 61 18.494 -12.992 -12.992 476 3HD1 ILE 61 HD11 ILE 61 18.067 -12.926 -12.926 477 H ASN 62 HN ASN 62 14.681 -11.526 -11.526 478 HA ASN 62 HA ASN 62 16.441 -9.155 -9.155 479 1HB ASN 62 HB2 ASN 62 17.678 -10.400 -10.400 480 2HB ASN 62 HB1 ASN 62 17.844 -11.171 -11.171 481 1HD2 ASN 62 HD21 ASN 62 15.198 -12.395 -12.395 482 2HD2 ASN 62 HD22 ASN 62 15.176 -13.613 -13.613 483 H ALA 63 HN ALA 63 14.243 -11.454 -11.454 484 HA ALA 63 HA ALA 63 13.649 -10.787 -10.787 485 1HB ALA 63 HB1 ALA 63 12.201 -12.013 -12.013 486 2HB ALA 63 HB3 ALA 63 11.313 -10.494 -10.494 487 3HB ALA 63 HB2 ALA 63 11.440 -11.378 -11.378 488 HA PRO 64 HA PRO 64 11.159 -6.579 -6.579 489 1HB PRO 64 HB2 PRO 64 13.848 -5.848 -5.848 490 2HB PRO 64 HB1 PRO 64 12.236 -5.371 -5.371 491 1HG PRO 64 HG2 PRO 64 13.806 -7.514 -7.514 492 2HG PRO 64 HG1 PRO 64 12.092 -7.212 -7.212 493 1HD PRO 64 HD2 PRO 64 13.097 -9.450 -9.450 494 2HD PRO 64 HD1 PRO 64 11.418 -8.915 -8.915 495 H ASP 65 HN ASP 65 11.003 -5.345 -5.345 496 HA ASP 65 HA ASP 65 13.400 -4.664 -4.664 497 1HB ASP 65 HB2 ASP 65 10.740 -5.810 -5.810 498 2HB ASP 65 HB1 ASP 65 11.736 -4.888 -4.888 499 H LYS 66 HN LYS 66 9.958 -3.977 -3.977 500 HA LYS 66 HA LYS 66 10.191 -1.234 -1.234 501 1HB LYS 66 HB2 LYS 66 8.134 -2.875 -2.875 502 2HB LYS 66 HB1 LYS 66 7.854 -2.295 -2.295 503 1HG LYS 66 HG2 LYS 66 8.258 -0.427 -0.427 504 2HG LYS 66 HG1 LYS 66 6.685 -1.037 -1.037 505 1HD LYS 66 HD2 LYS 66 7.594 -0.164 -0.164 506 2HD LYS 66 HD1 LYS 66 8.389 0.980 0.980 507 1HE LYS 66 HE2 LYS 66 6.217 1.510 1.510 508 2HE LYS 66 HE1 LYS 66 5.419 0.375 0.375 509 1HZ LYS 66 HZ3 LYS 66 6.972 2.023 2.023 510 2HZ LYS 66 HZ2 LYS 66 6.193 3.050 3.050 511 3HZ LYS 66 HZ1 LYS 66 5.281 2.009 2.009 512 H HIS 67 HN HIS 67 10.488 -2.954 -2.954 513 HA HIS 67 HA HIS 67 10.068 -0.666 -0.666 514 1HB HIS 67 HB2 HIS 67 11.446 -3.232 -3.232 515 2HB HIS 67 HB1 HIS 67 10.389 -2.222 -2.222 516 HD1 HIS 67 HD1 HIS 67 7.985 -2.913 -2.913 517 HD2 HIS 67 HD2 HIS 67 9.938 -4.601 -4.601 518 HE1 HIS 67 HE1 HIS 67 6.330 -4.496 -4.496 519 H HIS 68 HN HIS 68 12.458 -1.496 -1.496 520 HA HIS 68 HA HIS 68 14.796 -1.161 -1.161 521 1HB HIS 68 HB2 HIS 68 13.616 1.135 1.135 522 2HB HIS 68 HB1 HIS 68 14.151 1.367 1.367 523 HD1 HIS 68 HD1 HIS 68 16.881 -0.325 -0.325 524 HD2 HIS 68 HD2 HIS 68 15.534 3.045 3.045 525 HE1 HIS 68 HE1 HIS 68 18.922 0.727 0.727 526 H ILE 69 HN ILE 69 13.736 -2.464 -2.464 527 HA ILE 69 HA ILE 69 16.269 -2.227 -2.227 528 HB ILE 69 HB ILE 69 14.245 -0.465 -0.465 529 1HG1 ILE 69 HG12 ILE 69 16.660 -0.209 -0.209 530 2HG1 ILE 69 HG11 ILE 69 15.735 0.029 0.029 531 1HG2 ILE 69 HG23 ILE 69 13.019 -2.357 -2.357 532 2HG2 ILE 69 HG22 ILE 69 14.439 -2.725 -2.725 533 3HG2 ILE 69 HG21 ILE 69 13.583 -1.209 -1.209 534 1HD1 ILE 69 HD13 ILE 69 16.176 -2.548 -2.548 535 2HD1 ILE 69 HD12 ILE 69 17.516 -2.256 -2.256 536 3HD1 ILE 69 HD11 ILE 69 17.415 -1.384 -1.384 537 H THR 70 HN THR 70 16.580 -3.803 -3.803 538 HA THR 70 HA THR 70 14.700 -6.086 -6.086 539 HB THR 70 HB THR 70 16.757 -6.949 -6.949 540 HG1 THR 70 HG1 THR 70 16.293 -7.194 -7.194 541 1HG2 THR 70 HG23 THR 70 17.937 -4.895 -4.895 542 2HG2 THR 70 HG22 THR 70 18.919 -6.130 -6.130 543 3HG2 THR 70 HG21 THR 70 18.040 -4.942 -4.942 544 HA PRO 71 HA PRO 71 13.286 -5.444 -5.444 545 1HB PRO 71 HB2 PRO 71 13.540 -8.259 -8.259 546 2HB PRO 71 HB1 PRO 71 12.085 -7.301 -7.301 547 1HG PRO 71 HG2 PRO 71 12.980 -9.287 -9.287 548 2HG PRO 71 HG1 PRO 71 11.993 -7.911 -7.911 549 1HD PRO 71 HD2 PRO 71 14.917 -8.366 -8.366 550 2HD PRO 71 HD1 PRO 71 13.780 -7.504 -7.504 551 H LEU 72 HN LEU 72 16.508 -6.995 -6.995 552 HA LEU 72 HA LEU 72 16.890 -7.167 -7.167 553 1HB LEU 72 HB2 LEU 72 19.291 -6.148 -6.148 554 2HB LEU 72 HB1 LEU 72 19.094 -7.571 -7.571 555 HG LEU 72 HG LEU 72 19.593 -8.508 -8.508 556 1HD1 LEU 72 HD12 LEU 72 16.889 -8.747 -8.747 557 2HD1 LEU 72 HD11 LEU 72 16.873 -8.598 -8.598 558 3HD1 LEU 72 HD13 LEU 72 17.818 -9.860 -9.860 559 1HD2 LEU 72 HD23 LEU 72 17.887 -6.372 -6.372 560 2HD2 LEU 72 HD22 LEU 72 19.649 -6.410 -6.410 561 3HD2 LEU 72 HD21 LEU 72 18.774 -7.636 -7.636 562 H LEU 73 HN LEU 73 17.191 -4.360 -4.360 563 HA LEU 73 HA LEU 73 18.155 -2.665 -2.665 564 1HB LEU 73 HB2 LEU 73 16.795 -1.866 -1.866 565 2HB LEU 73 HB1 LEU 73 17.692 -0.789 -0.789 566 HG LEU 73 HG LEU 73 19.615 -2.581 -2.581 567 1HD1 LEU 73 HD11 LEU 73 17.622 -3.474 -3.474 568 2HD1 LEU 73 HD13 LEU 73 19.099 -3.030 -3.030 569 3HD1 LEU 73 HD12 LEU 73 19.139 -4.232 -4.232 570 1HD2 LEU 73 HD21 LEU 73 18.775 -0.370 -0.370 571 2HD2 LEU 73 HD23 LEU 73 20.124 -0.427 -0.427 572 3HD2 LEU 73 HD22 LEU 73 20.196 -1.334 -1.334 573 H SER 74 HN SER 74 15.063 -3.848 -3.848 574 HA SER 74 HA SER 74 13.379 -1.833 -1.833 575 1HB SER 74 HB2 SER 74 11.674 -3.429 -3.429 576 2HB SER 74 HB1 SER 74 12.813 -4.081 -4.081 577 HG SER 74 HG SER 74 13.090 -5.725 -5.725 578 H ALA 75 HN ALA 75 14.832 -4.668 -4.668 579 HA ALA 75 HA ALA 75 13.855 -3.985 -3.985 580 1HB ALA 75 HB3 ALA 75 16.013 -5.873 -5.873 581 2HB ALA 75 HB2 ALA 75 15.569 -5.707 -5.707 582 3HB ALA 75 HB1 ALA 75 14.381 -6.283 -6.283 583 H VAL 76 HN VAL 76 16.810 -3.310 -3.310 584 HA VAL 76 HA VAL 76 18.575 -2.506 -2.506 585 HB VAL 76 HB VAL 76 17.954 -1.310 -1.310 586 1HG1 VAL 76 HG13 VAL 76 19.075 0.293 0.293 587 2HG1 VAL 76 HG12 VAL 76 20.500 -0.684 -0.684 588 3HG1 VAL 76 HG11 VAL 76 19.699 0.202 0.202 589 1HG2 VAL 76 HG21 VAL 76 18.913 -3.601 -3.601 590 2HG2 VAL 76 HG23 VAL 76 20.045 -2.473 -2.473 591 3HG2 VAL 76 HG22 VAL 76 20.264 -2.971 -2.971 592 H TYR 77 HN TYR 77 16.461 -0.034 -0.034 593 HA TYR 77 HA TYR 77 16.739 1.692 1.692 594 1HB TYR 77 HB2 TYR 77 14.543 2.312 2.312 595 2HB TYR 77 HB1 TYR 77 15.873 3.331 3.331 596 HD1 TYR 77 HD1 TYR 77 14.839 0.735 0.735 597 HD2 TYR 77 HD2 TYR 77 17.947 3.449 3.449 598 HE1 TYR 77 HE1 TYR 77 15.980 0.373 0.373 599 HE2 TYR 77 HE2 TYR 77 19.089 3.083 3.083 600 HH TYR 77 HH TYR 77 17.903 2.147 2.147 601 H GLU 78 HN GLU 78 15.765 -0.656 -0.656 602 HA GLU 78 HA GLU 78 12.920 0.018 0.018 603 1HB GLU 78 HB2 GLU 78 13.357 -2.016 -2.016 604 2HB GLU 78 HB1 GLU 78 13.859 -2.840 -2.840 605 1HG GLU 78 HG2 GLU 78 11.530 -3.301 -3.301 606 2HG GLU 78 HG1 GLU 78 11.641 -2.041 -2.041 607 H GLY 79 HN GLY 79 16.021 -1.204 -1.204 608 1HA GLY 79 HA2 GLY 79 16.802 -1.086 -1.086 609 2HA GLY 79 HA1 GLY 79 15.132 -0.851 -0.851 610 H HIS 80 HN HIS 80 14.833 -3.171 -3.171 611 HA HIS 80 HA HIS 80 14.665 -5.310 -5.310 612 1HB HIS 80 HB2 HIS 80 13.886 -4.923 -4.923 613 2HB HIS 80 HB1 HIS 80 14.133 -6.575 -6.575 614 HD1 HIS 80 HD1 HIS 80 12.059 -7.614 -7.614 615 HD2 HIS 80 HD2 HIS 80 12.065 -3.475 -3.475 616 HE1 HIS 80 HE1 HIS 80 9.842 -7.020 -7.020 617 H VAL 81 HN VAL 81 16.279 -4.965 -4.965 618 HA VAL 81 HA VAL 81 18.081 -6.204 -6.204 619 HB VAL 81 HB VAL 81 20.148 -5.666 -5.666 620 1HG1 VAL 81 HG11 VAL 81 19.440 -4.615 -4.615 621 2HG1 VAL 81 HG13 VAL 81 18.546 -3.427 -3.427 622 3HG1 VAL 81 HG12 VAL 81 20.301 -3.537 -3.537 623 1HG2 VAL 81 HG22 VAL 81 18.704 -5.077 -5.077 624 2HG2 VAL 81 HG21 VAL 81 19.716 -3.732 -3.732 625 3HG2 VAL 81 HG23 VAL 81 18.009 -3.760 -3.760 626 H SER 82 HN SER 82 16.387 -7.615 -7.615 627 HA SER 82 HA SER 82 18.332 -9.603 -9.603 628 1HB SER 82 HB2 SER 82 16.601 -9.474 -9.474 629 2HB SER 82 HB1 SER 82 15.398 -9.089 -9.089 630 HG SER 82 HG SER 82 16.067 -11.418 -11.418 631 H CYS 83 HN CYS 83 16.229 -8.926 -8.926 632 HA CYS 83 HA CYS 83 16.130 -11.628 -11.628 633 1HB CYS 83 HB2 CYS 83 15.392 -9.926 -9.926 634 2HB CYS 83 HB1 CYS 83 14.283 -10.569 -10.569 635 HG CYS 83 HG CYS 83 15.530 -7.710 -7.710 636 H VAL 84 HN VAL 84 17.712 -8.537 -8.537 637 HA VAL 84 HA VAL 84 19.142 -9.204 -9.204 638 HB VAL 84 HB VAL 84 20.991 -7.764 -7.764 639 1HG1 VAL 84 HG12 VAL 84 18.921 -6.782 -6.782 640 2HG1 VAL 84 HG11 VAL 84 18.238 -6.669 -6.669 641 3HG1 VAL 84 HG13 VAL 84 19.676 -5.735 -5.735 642 1HG2 VAL 84 HG21 VAL 84 19.485 -8.235 -8.235 643 2HG2 VAL 84 HG23 VAL 84 21.219 -8.194 -8.194 644 3HG2 VAL 84 HG22 VAL 84 20.307 -6.691 -6.691 645 H LYS 85 HN LYS 85 20.019 -10.001 -10.001 646 HA LYS 85 HA LYS 85 22.466 -11.239 -11.239 647 1HB LYS 85 HB2 LYS 85 20.546 -11.060 -11.060 648 2HB LYS 85 HB1 LYS 85 20.942 -12.761 -12.761 649 1HG LYS 85 HG2 LYS 85 22.557 -11.930 -11.930 650 2HG LYS 85 HG1 LYS 85 23.413 -11.987 -11.987 651 1HD LYS 85 HD2 LYS 85 22.800 -9.564 -9.564 652 2HD LYS 85 HD1 LYS 85 22.149 -9.550 -9.550 653 1HE LYS 85 HE2 LYS 85 24.453 -8.701 -8.701 654 2HE LYS 85 HE1 LYS 85 24.367 -10.228 -10.228 655 1HZ LYS 85 HZ2 LYS 85 24.989 -10.214 -10.214 656 2HZ LYS 85 HZ1 LYS 85 26.211 -9.875 -9.875 657 3HZ LYS 85 HZ3 LYS 85 25.400 -11.364 -11.364 658 H LEU 86 HN LEU 86 19.629 -13.354 -13.354 659 HA LEU 86 HA LEU 86 20.844 -15.509 -15.509 660 1HB LEU 86 HB2 LEU 86 18.665 -16.656 -16.656 661 2HB LEU 86 HB1 LEU 86 19.170 -16.037 -16.037 662 HG LEU 86 HG LEU 86 16.778 -15.673 -15.673 663 1HD1 LEU 86 HD13 LEU 86 18.372 -14.013 -14.013 664 2HD1 LEU 86 HD12 LEU 86 17.979 -12.938 -12.938 665 3HD1 LEU 86 HD11 LEU 86 16.696 -13.574 -13.574 666 1HD2 LEU 86 HD23 LEU 86 17.198 -15.294 -15.294 667 2HD2 LEU 86 HD22 LEU 86 15.931 -14.361 -14.361 668 3HD2 LEU 86 HD21 LEU 86 17.487 -13.617 -13.617 669 H LEU 87 HN LEU 87 19.793 -12.718 -12.718 670 HA LEU 87 HA LEU 87 18.340 -13.766 -13.766 671 1HB LEU 87 HB2 LEU 87 18.919 -11.207 -11.207 672 2HB LEU 87 HB1 LEU 87 19.668 -11.241 -11.241 673 HG LEU 87 HG LEU 87 16.806 -12.080 -12.080 674 1HD1 LEU 87 HD11 LEU 87 17.923 -9.442 -9.442 675 2HD1 LEU 87 HD13 LEU 87 16.213 -9.879 -9.879 676 3HD1 LEU 87 HD12 LEU 87 17.081 -9.703 -9.703 677 1HD2 LEU 87 HD22 LEU 87 18.494 -11.615 -11.615 678 2HD2 LEU 87 HD21 LEU 87 17.576 -13.053 -13.053 679 3HD2 LEU 87 HD23 LEU 87 16.732 -11.592 -11.592 680 H LEU 88 HN LEU 88 21.494 -12.027 -12.027 681 HA LEU 88 HA LEU 88 22.199 -13.071 -13.071 682 1HB LEU 88 HB2 LEU 88 24.492 -12.532 -12.532 683 2HB LEU 88 HB1 LEU 88 23.509 -11.273 -11.273 684 HG LEU 88 HG LEU 88 25.206 -11.766 -11.766 685 1HD1 LEU 88 HD12 LEU 88 22.821 -11.704 -11.704 686 2HD1 LEU 88 HD11 LEU 88 22.887 -13.466 -13.466 687 3HD1 LEU 88 HD13 LEU 88 23.984 -12.509 -12.509 688 1HD2 LEU 88 HD21 LEU 88 25.425 -14.198 -14.198 689 2HD2 LEU 88 HD23 LEU 88 26.184 -13.804 -13.804 690 3HD2 LEU 88 HD22 LEU 88 24.646 -14.663 -14.663 691 H SER 89 HN SER 89 21.868 -14.754 -14.754 692 HA SER 89 HA SER 89 23.732 -16.877 -16.877 693 1HB SER 89 HB2 SER 89 22.045 -16.421 -16.421 694 2HB SER 89 HB1 SER 89 20.933 -17.381 -17.381 695 HG SER 89 HG SER 89 23.458 -18.442 -18.442 696 H LYS 90 HN LYS 90 20.929 -15.890 -15.890 697 HA LYS 90 HA LYS 90 20.727 -18.472 -18.472 698 1HB LYS 90 HB2 LYS 90 18.937 -16.039 -16.039 699 2HB LYS 90 HB1 LYS 90 18.665 -17.345 -17.345 700 1HG LYS 90 HG2 LYS 90 17.484 -18.365 -18.365 701 2HG LYS 90 HG1 LYS 90 19.024 -18.688 -18.688 702 1HD LYS 90 HD2 LYS 90 17.821 -17.606 -17.606 703 2HD LYS 90 HD1 LYS 90 18.743 -16.282 -16.282 704 1HE LYS 90 HE2 LYS 90 16.729 -15.841 -15.841 705 2HE LYS 90 HE1 LYS 90 15.837 -16.979 -16.979 706 1HZ LYS 90 HZ3 LYS 90 17.087 -15.303 -15.303 707 2HZ LYS 90 HZ2 LYS 90 16.550 -14.271 -14.271 708 3HZ LYS 90 HZ1 LYS 90 15.445 -15.274 -15.274 709 H GLY 91 HN GLY 91 22.017 -15.337 -15.337 710 1HA GLY 91 HA2 GLY 91 23.644 -15.235 -15.235 711 2HA GLY 91 HA1 GLY 91 22.186 -15.469 -15.469 712 H ALA 92 HN ALA 92 20.832 -13.721 -13.721 713 HA ALA 92 HA ALA 92 20.385 -11.422 -11.422 714 1HB ALA 92 HB3 ALA 92 20.223 -12.170 -12.170 715 2HB ALA 92 HB2 ALA 92 20.724 -10.487 -10.487 716 3HB ALA 92 HB1 ALA 92 19.227 -11.021 -11.021 717 H ASP 93 HN ASP 93 23.464 -12.327 -12.327 718 HA ASP 93 HA ASP 93 25.485 -11.099 -11.099 719 1HB ASP 93 HB2 ASP 93 24.940 -10.896 -10.896 720 2HB ASP 93 HB1 ASP 93 24.130 -9.375 -9.375 721 H LYS 94 HN LYS 94 24.285 -8.062 -8.062 722 HA LYS 94 HA LYS 94 23.324 -7.232 -7.232 723 1HB LYS 94 HB2 LYS 94 25.683 -7.387 -7.387 724 2HB LYS 94 HB1 LYS 94 26.135 -6.426 -6.426 725 1HG LYS 94 HG2 LYS 94 26.108 -4.984 -4.984 726 2HG LYS 94 HG1 LYS 94 24.775 -4.554 -4.554 727 1HD LYS 94 HD2 LYS 94 24.089 -6.626 -6.626 728 2HD LYS 94 HD1 LYS 94 24.535 -5.075 -5.075 729 1HE LYS 94 HE2 LYS 94 22.885 -4.177 -4.177 730 2HE LYS 94 HE1 LYS 94 22.180 -5.767 -5.767 731 1HZ LYS 94 HZ1 LYS 94 22.798 -4.467 -4.467 732 2HZ LYS 94 HZ3 LYS 94 21.723 -3.563 -3.563 733 3HZ LYS 94 HZ2 LYS 94 21.338 -5.162 -5.162 734 H THR 95 HN THR 95 24.672 -6.396 -6.396 735 HA THR 95 HA THR 95 22.784 -4.073 -4.073 736 HB THR 95 HB THR 95 24.461 -3.207 -3.207 737 HG1 THR 95 HG1 THR 95 26.634 -4.001 -4.001 738 1HG2 THR 95 HG21 THR 95 24.146 -2.227 -2.227 739 2HG2 THR 95 HG23 THR 95 25.354 -3.346 -3.346 740 3HG2 THR 95 HG22 THR 95 25.817 -2.119 -2.119 741 H VAL 96 HN VAL 96 21.773 -6.471 -6.471 742 HA VAL 96 HA VAL 96 22.211 -7.240 -7.240 743 HB VAL 96 HB VAL 96 19.900 -7.853 -7.853 744 1HG1 VAL 96 HG11 VAL 96 20.779 -8.995 -8.995 745 2HG1 VAL 96 HG13 VAL 96 19.773 -9.909 -9.909 746 3HG1 VAL 96 HG12 VAL 96 19.188 -8.386 -8.386 747 1HG2 VAL 96 HG23 VAL 96 22.486 -9.325 -9.325 748 2HG2 VAL 96 HG22 VAL 96 22.020 -8.582 -8.582 749 3HG2 VAL 96 HG21 VAL 96 21.147 -9.992 -9.992 750 H LYS 97 HN LYS 97 20.447 -4.642 -4.642 751 HA LYS 97 HA LYS 97 19.436 -3.912 -3.912 752 1HB LYS 97 HB2 LYS 97 17.778 -5.567 -5.567 753 2HB LYS 97 HB1 LYS 97 17.064 -3.960 -3.960 754 1HG LYS 97 HG2 LYS 97 17.903 -5.325 -5.325 755 2HG LYS 97 HG1 LYS 97 16.259 -5.353 -5.353 756 1HD LYS 97 HD2 LYS 97 16.433 -2.775 -2.775 757 2HD LYS 97 HD1 LYS 97 17.839 -2.973 -2.973 758 1HE LYS 97 HE2 LYS 97 14.984 -3.794 -3.794 759 2HE LYS 97 HE1 LYS 97 15.980 -2.657 -2.657 760 1HZ LYS 97 HZ2 LYS 97 16.843 -5.456 -5.456 761 2HZ LYS 97 HZ1 LYS 97 15.689 -5.053 -5.053 762 3HZ LYS 97 HZ3 LYS 97 17.229 -4.344 -4.344 763 H GLY 98 HN GLY 98 20.554 -2.939 -2.939 764 1HA GLY 98 HA2 GLY 98 18.884 -0.576 -0.576 765 2HA GLY 98 HA1 GLY 98 20.432 -0.888 -0.888 766 HA PRO 99 HA PRO 99 20.769 2.373 2.373 767 1HB PRO 99 HB2 PRO 99 22.182 3.990 3.990 768 2HB PRO 99 HB1 PRO 99 20.644 4.347 4.347 769 1HG PRO 99 HG2 PRO 99 21.103 3.488 3.488 770 2HG PRO 99 HG1 PRO 99 19.585 3.999 3.999 771 1HD PRO 99 HD2 PRO 99 20.280 1.350 1.350 772 2HD PRO 99 HD1 PRO 99 18.885 1.822 1.822 773 H ASP 100 HN ASP 100 23.204 2.510 2.510 774 HA ASP 100 HA ASP 100 25.049 0.884 0.884 775 1HB ASP 100 HB2 ASP 100 25.272 3.353 3.353 776 2HB ASP 100 HB1 ASP 100 25.866 3.619 3.619 777 H GLY 101 HN GLY 101 27.033 2.415 2.415 778 1HA GLY 101 HA2 GLY 101 27.310 0.303 0.303 779 2HA GLY 101 HA1 GLY 101 28.058 1.889 1.889 780 H LEU 102 HN LEU 102 24.758 2.368 2.368 781 HA LEU 102 HA LEU 102 24.386 3.400 3.400 782 1HB LEU 102 HB2 LEU 102 22.814 3.715 3.715 783 2HB LEU 102 HB1 LEU 102 22.216 2.081 2.081 784 HG LEU 102 HG LEU 102 22.086 4.400 4.400 785 1HD1 LEU 102 HD11 LEU 102 20.014 2.919 2.919 786 2HD1 LEU 102 HD13 LEU 102 19.614 3.972 3.972 787 3HD1 LEU 102 HD12 LEU 102 20.413 4.638 4.638 788 1HD2 LEU 102 HD21 LEU 102 21.443 1.470 1.470 789 2HD2 LEU 102 HD23 LEU 102 22.310 2.525 2.525 790 3HD2 LEU 102 HD22 LEU 102 20.568 2.669 2.669 791 H THR 103 HN THR 103 22.931 0.333 0.333 792 HA THR 103 HA THR 103 22.095 -1.278 -1.278 793 HB THR 103 HB THR 103 23.855 -2.527 -2.527 794 HG1 THR 103 HG1 THR 103 25.306 -2.781 -2.781 795 1HG2 THR 103 HG23 THR 103 25.700 -0.448 -0.448 796 2HG2 THR 103 HG22 THR 103 26.246 -1.900 -1.900 797 3HG2 THR 103 HG21 THR 103 25.323 -0.675 -0.675 798 H ALA 104 HN ALA 104 24.825 -1.333 -1.333 799 HA ALA 104 HA ALA 104 23.253 -0.153 -0.153 800 1HB ALA 104 HB2 ALA 104 25.765 -1.831 -1.831 801 2HB ALA 104 HB1 ALA 104 25.184 -1.068 -1.068 802 3HB ALA 104 HB3 ALA 104 24.184 -2.262 -2.262 803 H LEU 105 HN LEU 105 26.137 0.541 0.541 804 HA LEU 105 HA LEU 105 27.525 2.276 2.276 805 1HB LEU 105 HB2 LEU 105 27.129 2.810 2.810 806 2HB LEU 105 HB1 LEU 105 28.523 3.189 3.189 807 HG LEU 105 HG LEU 105 27.573 0.448 0.448 808 1HD1 LEU 105 HD11 LEU 105 28.887 1.878 1.878 809 2HD1 LEU 105 HD13 LEU 105 30.214 1.867 1.867 810 3HD1 LEU 105 HD12 LEU 105 29.673 0.358 0.358 811 1HD2 LEU 105 HD22 LEU 105 29.648 1.299 1.299 812 2HD2 LEU 105 HD21 LEU 105 28.341 0.129 0.129 813 3HD2 LEU 105 HD23 LEU 105 29.730 -0.262 -0.262 814 H GLU 106 HN GLU 106 25.519 3.616 3.616 815 HA GLU 106 HA GLU 106 25.308 6.118 6.118 816 1HB GLU 106 HB2 GLU 106 23.801 5.350 5.350 817 2HB GLU 106 HB1 GLU 106 24.286 6.945 6.945 818 1HG GLU 106 HG2 GLU 106 26.231 4.732 4.732 819 2HG GLU 106 HG1 GLU 106 25.727 5.985 5.985 820 H ALA 107 HN ALA 107 23.728 3.346 3.346 821 HA ALA 107 HA ALA 107 20.983 4.311 4.311 822 1HB ALA 107 HB1 ALA 107 22.339 1.867 1.867 823 2HB ALA 107 HB3 ALA 107 20.663 2.235 2.235 824 3HB ALA 107 HB2 ALA 107 21.125 1.979 1.979 825 H THR 108 HN THR 108 23.313 3.657 3.657 826 HA THR 108 HA THR 108 21.908 5.772 5.772 827 HB THR 108 HB THR 108 20.659 3.668 3.668 828 HG1 THR 108 HG1 THR 108 20.430 4.401 4.401 829 1HG2 THR 108 HG21 THR 108 22.893 2.340 2.340 830 2HG2 THR 108 HG23 THR 108 23.106 2.623 2.623 831 3HG2 THR 108 HG22 THR 108 21.699 1.731 1.731 832 H ASP 109 HN ASP 109 22.896 4.700 4.700 833 HA ASP 109 HA ASP 109 25.824 4.792 4.792 834 1HB ASP 109 HB2 ASP 109 25.283 7.135 7.135 835 2HB ASP 109 HB1 ASP 109 24.215 6.749 6.749 836 H ASN 110 HN ASN 110 23.047 3.475 3.475 837 HA ASN 110 HA ASN 110 24.239 2.828 2.828 838 1HB ASN 110 HB2 ASN 110 22.339 1.374 1.374 839 2HB ASN 110 HB1 ASN 110 21.732 2.849 2.849 840 1HD2 ASN 110 HD21 ASN 110 23.064 1.787 1.787 841 2HD2 ASN 110 HD22 ASN 110 21.915 0.701 0.701 842 H GLN 111 HN GLN 111 25.522 1.066 1.066 843 HA GLN 111 HA GLN 111 26.823 -0.149 -0.149 844 1HB GLN 111 HB2 GLN 111 28.075 0.331 0.331 845 2HB GLN 111 HB1 GLN 111 27.018 -0.661 -0.661 846 1HG GLN 111 HG2 GLN 111 27.890 -2.663 -2.663 847 2HG GLN 111 HG1 GLN 111 28.420 -1.920 -1.920 848 1HE2 GLN 111 HE21 GLN 111 29.103 -1.754 -1.754 849 2HE2 GLN 111 HE22 GLN 111 30.762 -1.451 -1.451 850 H ALA 112 HN ALA 112 23.815 -1.033 -1.033 851 HA ALA 112 HA ALA 112 24.260 -3.941 -3.941 852 1HB ALA 112 HB2 ALA 112 22.351 -2.845 -2.845 853 2HB ALA 112 HB1 ALA 112 21.637 -2.459 -2.459 854 3HB ALA 112 HB3 ALA 112 21.856 -4.143 -4.143 855 H ILE 113 HN ILE 113 23.004 -1.446 -1.446 856 HA ILE 113 HA ILE 113 22.442 -3.065 -3.065 857 HB ILE 113 HB ILE 113 22.817 -0.153 -0.153 858 1HG1 ILE 113 HG12 ILE 113 20.582 -0.115 -0.115 859 2HG1 ILE 113 HG11 ILE 113 20.603 -1.865 -1.865 860 1HG2 ILE 113 HG21 ILE 113 22.952 -1.360 -1.360 861 2HG2 ILE 113 HG23 ILE 113 22.355 0.280 0.280 862 3HG2 ILE 113 HG22 ILE 113 23.994 -0.135 -0.135 863 1HD1 ILE 113 HD11 ILE 113 21.179 -1.119 -1.119 864 2HD1 ILE 113 HD13 ILE 113 20.173 0.234 0.234 865 3HD1 ILE 113 HD12 ILE 113 19.542 -1.406 -1.406 866 H LYS 114 HN LYS 114 25.013 -0.795 -0.795 867 HA LYS 114 HA LYS 114 26.683 -1.275 -1.275 868 1HB LYS 114 HB2 LYS 114 27.670 -0.747 -0.747 869 2HB LYS 114 HB1 LYS 114 28.444 -0.279 -0.279 870 1HG LYS 114 HG2 LYS 114 25.707 0.737 0.737 871 2HG LYS 114 HG1 LYS 114 27.195 1.596 1.596 872 1HD LYS 114 HD2 LYS 114 27.715 1.534 1.534 873 2HD LYS 114 HD1 LYS 114 26.082 0.920 0.920 874 1HE LYS 114 HE2 LYS 114 25.824 3.240 3.240 875 2HE LYS 114 HE1 LYS 114 25.327 2.973 2.973 876 1HZ LYS 114 HZ3 LYS 114 27.633 3.511 3.511 877 2HZ LYS 114 HZ2 LYS 114 27.976 3.925 3.925 878 3HZ LYS 114 HZ1 LYS 114 26.825 4.810 4.810 879 H ALA 115 HN ALA 115 25.755 -3.335 -3.335 880 HA ALA 115 HA ALA 115 28.076 -4.999 -4.999 881 1HB ALA 115 HB3 ALA 115 25.871 -4.972 -4.972 882 2HB ALA 115 HB2 ALA 115 25.300 -6.132 -6.132 883 3HB ALA 115 HB1 ALA 115 26.738 -6.486 -6.486 884 H LEU 116 HN LEU 116 25.367 -4.864 -4.864 885 HA LEU 116 HA LEU 116 26.111 -7.372 -7.372 886 1HB LEU 116 HB2 LEU 116 24.244 -5.139 -5.139 887 2HB LEU 116 HB1 LEU 116 24.906 -5.888 -5.888 888 HG LEU 116 HG LEU 116 23.310 -7.219 -7.219 889 1HD1 LEU 116 HD12 LEU 116 22.889 -6.616 -6.616 890 2HD1 LEU 116 HD11 LEU 116 21.970 -7.881 -7.881 891 3HD1 LEU 116 HD13 LEU 116 21.844 -6.210 -6.210 892 1HD2 LEU 116 HD23 LEU 116 25.165 -8.388 -8.388 893 2HD2 LEU 116 HD22 LEU 116 24.684 -9.021 -9.021 894 3HD2 LEU 116 HD21 LEU 116 23.606 -9.187 -9.187 895 H LEU 117 HN LEU 117 27.185 -4.057 -4.057 896 HA LEU 117 HA LEU 117 28.725 -4.492 -4.492 897 1HB LEU 117 HB2 LEU 117 28.882 -2.232 -2.232 898 2HB LEU 117 HB1 LEU 117 27.799 -2.241 -2.241 899 HG LEU 117 HG LEU 117 29.978 -2.543 -2.543 900 1HD1 LEU 117 HD12 LEU 117 31.119 -2.498 -2.498 901 2HD1 LEU 117 HD11 LEU 117 31.486 -0.924 -0.924 902 3HD1 LEU 117 HD13 LEU 117 31.987 -2.391 -2.391 903 1HD2 LEU 117 HD23 LEU 117 28.446 -0.444 -0.444 904 2HD2 LEU 117 HD22 LEU 117 30.044 -0.218 -0.218 905 3HD2 LEU 117 HD21 LEU 117 29.772 0.131 0.131 906 H GLN 118 HN GLN 118 28.890 -5.749 -5.749 907 HA GLN 118 HA GLN 118 31.663 -5.452 -5.452 908 1HB GLN 118 HB2 GLN 118 29.773 -6.080 -6.080 909 2HB GLN 118 HB1 GLN 118 29.726 -7.638 -7.638 910 1HG GLN 118 HG2 GLN 118 32.035 -8.054 -8.054 911 2HG GLN 118 HG1 GLN 118 32.123 -6.491 -6.491 912 1HE2 GLN 118 HE21 GLN 118 30.184 -6.233 -6.233 913 2HE2 GLN 118 HE22 GLN 118 29.907 -7.596 -7.596 Start of MODEL 11 1 1H MET 1 HT2 MET 1 -9.746 -13.858 -13.858 2 2H MET 1 HT1 MET 1 -11.408 -14.020 -14.020 3 3H MET 1 HT3 MET 1 -10.373 -15.345 -15.345 4 HA MET 1 HA MET 1 -9.301 -14.318 -14.318 5 1HB MET 1 HB2 MET 1 -11.368 -13.902 -13.902 6 2HB MET 1 HB1 MET 1 -11.268 -15.474 -15.474 7 1HG MET 1 HG2 MET 1 -12.788 -14.765 -14.765 8 2HG MET 1 HG1 MET 1 -12.768 -13.105 -13.105 9 1HE MET 1 HE1 MET 1 -15.216 -13.931 -13.931 10 2HE MET 1 HE3 MET 1 -15.415 -12.698 -12.698 11 3HE MET 1 HE2 MET 1 -16.346 -14.193 -14.193 12 H CYS 2 HN CYS 2 -8.512 -12.306 -12.306 13 HA CYS 2 HA CYS 2 -9.291 -9.945 -9.945 14 1HB CYS 2 HB2 CYS 2 -11.038 -10.010 -10.010 15 2HB CYS 2 HB1 CYS 2 -9.763 -9.957 -9.957 16 HG CYS 2 HG CYS 2 -10.163 -7.632 -7.632 17 H ASP 3 HN ASP 3 -7.649 -8.372 -8.372 18 HA ASP 3 HA ASP 3 -5.032 -9.143 -9.143 19 1HB ASP 3 HB2 ASP 3 -6.005 -6.295 -6.295 20 2HB ASP 3 HB1 ASP 3 -4.406 -6.843 -6.843 21 H LYS 4 HN LYS 4 -7.322 -7.479 -7.479 22 HA LYS 4 HA LYS 4 -5.689 -6.846 -6.846 23 1HB LYS 4 HB2 LYS 4 -8.532 -7.885 -7.885 24 2HB LYS 4 HB1 LYS 4 -7.750 -7.230 -7.230 25 1HG LYS 4 HG2 LYS 4 -7.277 -5.128 -5.128 26 2HG LYS 4 HG1 LYS 4 -8.261 -5.783 -5.783 27 1HD LYS 4 HD2 LYS 4 -10.222 -5.833 -5.833 28 2HD LYS 4 HD1 LYS 4 -9.275 -5.442 -5.442 29 1HE LYS 4 HE2 LYS 4 -8.759 -3.237 -3.237 30 2HE LYS 4 HE1 LYS 4 -9.526 -3.623 -3.623 31 1HZ LYS 4 HZ1 LYS 4 -11.204 -4.037 -4.037 32 2HZ LYS 4 HZ3 LYS 4 -10.757 -2.420 -2.420 33 3HZ LYS 4 HZ2 LYS 4 -11.555 -3.276 -3.276 34 H GLU 5 HN GLU 5 -7.703 -9.810 -9.810 35 HA GLU 5 HA GLU 5 -6.430 -11.109 -11.109 36 1HB GLU 5 HB2 GLU 5 -8.451 -11.917 -11.917 37 2HB GLU 5 HB1 GLU 5 -7.332 -12.536 -12.536 38 1HG GLU 5 HG2 GLU 5 -6.233 -13.929 -13.929 39 2HG GLU 5 HG1 GLU 5 -7.337 -13.305 -13.305 40 H PHE 6 HN PHE 6 -5.538 -11.500 -11.500 41 HA PHE 6 HA PHE 6 -3.246 -13.140 -13.140 42 1HB PHE 6 HB2 PHE 6 -4.545 -12.404 -12.404 43 2HB PHE 6 HB1 PHE 6 -3.365 -11.101 -11.101 44 HD1 PHE 6 HD2 PHE 6 -1.004 -12.739 -12.739 45 HD2 PHE 6 HD1 PHE 6 -3.853 -13.562 -13.562 46 HE1 PHE 6 HE2 PHE 6 0.617 -14.252 -14.252 47 HE2 PHE 6 HE1 PHE 6 -2.224 -15.077 -15.077 48 HZ PHE 6 HZ PHE 6 0.013 -15.423 -15.423 49 H MET 7 HN MET 7 -3.347 -9.664 -9.664 50 HA MET 7 HA MET 7 -0.639 -9.069 -9.069 51 1HB MET 7 HB2 MET 7 -2.273 -7.602 -7.602 52 2HB MET 7 HB1 MET 7 -3.029 -7.252 -7.252 53 1HG MET 7 HG2 MET 7 -1.156 -6.074 -6.074 54 2HG MET 7 HG1 MET 7 -0.077 -6.805 -6.805 55 1HE MET 7 HE1 MET 7 -3.404 -4.977 -4.977 56 2HE MET 7 HE3 MET 7 -3.524 -3.997 -3.997 57 3HE MET 7 HE2 MET 7 -3.638 -5.753 -5.753 58 H TRP 8 HN TRP 8 -3.453 -8.545 -8.545 59 HA TRP 8 HA TRP 8 -2.170 -7.457 -7.457 60 1HB TRP 8 HB2 TRP 8 -4.636 -7.909 -7.909 61 2HB TRP 8 HB1 TRP 8 -4.314 -9.571 -9.571 62 HD1 TRP 8 HD1 TRP 8 -3.630 -10.014 -10.014 63 HE1 TRP 8 HE1 TRP 8 -3.772 -8.575 -8.575 64 HE3 TRP 8 HE3 TRP 8 -4.476 -5.431 -5.431 65 HZ2 TRP 8 HZ2 TRP 8 -4.189 -5.838 -5.838 66 HZ3 TRP 8 HZ3 TRP 8 -4.741 -3.426 -3.426 67 HH2 TRP 8 HH2 TRP 8 -4.599 -3.623 -3.623 68 H ALA 9 HN ALA 9 -1.486 -10.535 -10.535 69 HA ALA 9 HA ALA 9 -0.660 -11.668 -11.668 70 1HB ALA 9 HB1 ALA 9 -1.565 -13.082 -13.082 71 2HB ALA 9 HB3 ALA 9 -0.076 -12.743 -12.743 72 3HB ALA 9 HB2 ALA 9 -0.015 -13.625 -13.625 73 H LEU 10 HN LEU 10 1.024 -10.789 -10.789 74 HA LEU 10 HA LEU 10 3.682 -11.027 -11.027 75 1HB LEU 10 HB2 LEU 10 2.553 -8.833 -8.833 76 2HB LEU 10 HB1 LEU 10 4.242 -9.315 -9.315 77 HG LEU 10 HG LEU 10 3.132 -11.717 -11.717 78 1HD1 LEU 10 HD11 LEU 10 0.871 -10.388 -10.388 79 2HD1 LEU 10 HD13 LEU 10 1.505 -9.826 -9.826 80 3HD1 LEU 10 HD12 LEU 10 1.258 -11.549 -11.549 81 1HD2 LEU 10 HD23 LEU 10 3.983 -9.460 -9.460 82 2HD2 LEU 10 HD22 LEU 10 4.938 -10.843 -10.843 83 3HD2 LEU 10 HD21 LEU 10 3.621 -11.073 -11.073 84 H LYS 11 HN LYS 11 1.210 -9.033 -9.033 85 HA LYS 11 HA LYS 11 2.899 -6.847 -6.847 86 1HB LYS 11 HB2 LYS 11 0.793 -6.182 -6.182 87 2HB LYS 11 HB1 LYS 11 -0.052 -7.456 -7.456 88 1HG LYS 11 HG2 LYS 11 0.208 -6.360 -6.360 89 2HG LYS 11 HG1 LYS 11 1.459 -5.286 -5.286 90 1HD LYS 11 HD2 LYS 11 -0.097 -4.067 -4.067 91 2HD LYS 11 HD1 LYS 11 -1.345 -5.297 -5.297 92 1HE LYS 11 HE2 LYS 11 -1.833 -3.390 -3.390 93 2HE LYS 11 HE1 LYS 11 -1.420 -4.794 -4.794 94 1HZ LYS 11 HZ1 LYS 11 0.978 -3.757 -3.757 95 2HZ LYS 11 HZ3 LYS 11 0.070 -2.330 -2.330 96 3HZ LYS 11 HZ2 LYS 11 -0.052 -3.292 -3.292 97 H ASN 12 HN ASN 12 0.361 -8.705 -8.705 98 HA ASN 12 HA ASN 12 1.708 -8.268 -8.268 99 1HB ASN 12 HB2 ASN 12 -0.785 -8.257 -8.257 100 2HB ASN 12 HB1 ASN 12 -0.704 -9.999 -9.999 101 1HD2 ASN 12 HD21 ASN 12 -0.184 -7.441 -7.441 102 2HD2 ASN 12 HD22 ASN 12 -0.207 -8.479 -8.479 103 H GLY 13 HN GLY 13 2.390 -10.451 -10.451 104 1HA GLY 13 HA2 GLY 13 3.885 -12.268 -12.268 105 2HA GLY 13 HA1 GLY 13 3.704 -12.190 -12.190 106 H ASP 14 HN ASP 14 0.747 -12.329 -12.329 107 HA ASP 14 HA ASP 14 0.075 -14.859 -14.859 108 1HB ASP 14 HB2 ASP 14 -1.314 -13.734 -13.734 109 2HB ASP 14 HB1 ASP 14 -1.966 -14.715 -14.715 110 H LEU 15 HN LEU 15 2.395 -15.266 -15.266 111 HA LEU 15 HA LEU 15 2.888 -15.973 -15.973 112 1HB LEU 15 HB2 LEU 15 4.508 -16.081 -16.081 113 2HB LEU 15 HB1 LEU 15 3.675 -17.498 -17.498 114 HG LEU 15 HG LEU 15 5.786 -17.923 -17.923 115 1HD1 LEU 15 HD13 LEU 15 3.467 -19.390 -19.390 116 2HD1 LEU 15 HD12 LEU 15 3.748 -19.424 -19.424 117 3HD1 LEU 15 HD11 LEU 15 4.998 -19.992 -19.992 118 1HD2 LEU 15 HD23 LEU 15 5.018 -16.203 -16.203 119 2HD2 LEU 15 HD22 LEU 15 5.750 -17.704 -17.704 120 3HD2 LEU 15 HD21 LEU 15 3.999 -17.510 -17.510 121 H ASP 16 HN ASP 16 0.833 -17.663 -17.663 122 HA ASP 16 HA ASP 16 0.600 -20.127 -20.127 123 1HB ASP 16 HB2 ASP 16 -1.420 -18.737 -18.737 124 2HB ASP 16 HB1 ASP 16 -1.419 -20.444 -20.444 125 H GLU 17 HN GLU 17 -0.868 -16.977 -16.977 126 HA GLU 17 HA GLU 17 -3.001 -17.897 -17.897 127 1HB GLU 17 HB2 GLU 17 -1.952 -15.183 -15.183 128 2HB GLU 17 HB1 GLU 17 -3.213 -15.373 -15.373 129 1HG GLU 17 HG2 GLU 17 -4.522 -16.720 -16.720 130 2HG GLU 17 HG1 GLU 17 -3.316 -16.262 -16.262 131 H VAL 18 HN VAL 18 0.066 -16.091 -16.091 132 HA VAL 18 HA VAL 18 -0.270 -15.977 -15.977 133 HB VAL 18 HB VAL 18 2.416 -15.923 -15.923 134 1HG1 VAL 18 HG11 VAL 18 0.286 -13.925 -13.925 135 2HG1 VAL 18 HG13 VAL 18 1.770 -13.443 -13.443 136 3HG1 VAL 18 HG12 VAL 18 1.803 -13.836 -13.836 137 1HG2 VAL 18 HG23 VAL 18 1.971 -16.650 -16.650 138 2HG2 VAL 18 HG22 VAL 18 3.207 -15.442 -15.442 139 3HG2 VAL 18 HG21 VAL 18 1.627 -14.936 -14.936 140 H LYS 19 HN LYS 19 0.966 -18.331 -18.331 141 HA LYS 19 HA LYS 19 2.327 -20.081 -20.081 142 1HB LYS 19 HB2 LYS 19 2.406 -20.200 -20.200 143 2HB LYS 19 HB1 LYS 19 0.726 -20.715 -20.715 144 1HG LYS 19 HG2 LYS 19 1.984 -22.717 -22.717 145 2HG LYS 19 HG1 LYS 19 1.457 -22.683 -22.683 146 1HD LYS 19 HD2 LYS 19 3.847 -23.333 -23.333 147 2HD LYS 19 HD1 LYS 19 3.639 -21.874 -21.874 148 1HE LYS 19 HE2 LYS 19 4.600 -20.518 -20.518 149 2HE LYS 19 HE1 LYS 19 4.073 -21.542 -21.542 150 1HZ LYS 19 HZ3 LYS 19 5.695 -23.224 -23.224 151 2HZ LYS 19 HZ2 LYS 19 6.412 -21.804 -21.804 152 3HZ LYS 19 HZ1 LYS 19 6.272 -22.050 -22.050 153 H ASP 20 HN ASP 20 -1.070 -19.674 -19.674 154 HA ASP 20 HA ASP 20 -2.017 -22.079 -22.079 155 1HB ASP 20 HB2 ASP 20 -3.345 -20.688 -20.688 156 2HB ASP 20 HB1 ASP 20 -3.496 -19.459 -19.459 157 H TYR 21 HN TYR 21 -1.970 -18.701 -18.701 158 HA TYR 21 HA TYR 21 -2.945 -19.362 -19.362 159 1HB TYR 21 HB2 TYR 21 -1.260 -17.072 -17.072 160 2HB TYR 21 HB1 TYR 21 -1.757 -17.179 -17.179 161 HD1 TYR 21 HD1 TYR 21 -2.961 -16.873 -16.873 162 HD2 TYR 21 HD2 TYR 21 -4.046 -16.805 -16.805 163 HE1 TYR 21 HE1 TYR 21 -5.185 -15.953 -15.953 164 HE2 TYR 21 HE2 TYR 21 -6.270 -15.884 -15.884 165 HH TYR 21 HH TYR 21 -7.392 -15.757 -15.757 166 H VAL 22 HN VAL 22 0.396 -18.862 -18.862 167 HA VAL 22 HA VAL 22 1.600 -19.611 -19.611 168 HB VAL 22 HB VAL 22 2.624 -19.344 -19.344 169 1HG1 VAL 22 HG13 VAL 22 4.116 -20.133 -20.133 170 2HG1 VAL 22 HG12 VAL 22 4.914 -19.487 -19.487 171 3HG1 VAL 22 HG11 VAL 22 4.044 -21.020 -21.020 172 1HG2 VAL 22 HG23 VAL 22 1.976 -17.308 -17.308 173 2HG2 VAL 22 HG22 VAL 22 3.712 -17.363 -17.363 174 3HG2 VAL 22 HG21 VAL 22 3.094 -17.774 -17.774 175 H ALA 23 HN ALA 23 0.379 -21.449 -21.449 176 HA ALA 23 HA ALA 23 1.877 -23.846 -23.846 177 1HB ALA 23 HB3 ALA 23 -0.802 -23.213 -23.213 178 2HB ALA 23 HB2 ALA 23 -0.376 -24.898 -24.898 179 3HB ALA 23 HB1 ALA 23 0.624 -23.909 -23.909 180 H LYS 24 HN LYS 24 -0.571 -22.276 -22.276 181 HA LYS 24 HA LYS 24 -1.806 -24.413 -24.413 182 1HB LYS 24 HB2 LYS 24 -1.106 -21.602 -21.602 183 2HB LYS 24 HB1 LYS 24 -2.006 -22.708 -22.708 184 1HG LYS 24 HG2 LYS 24 -3.284 -22.847 -22.847 185 2HG LYS 24 HG1 LYS 24 -2.967 -21.135 -21.135 186 1HD LYS 24 HD2 LYS 24 -5.057 -21.481 -21.481 187 2HD LYS 24 HD1 LYS 24 -3.916 -21.551 -21.551 188 1HE LYS 24 HE2 LYS 24 -3.854 -24.092 -24.092 189 2HE LYS 24 HE1 LYS 24 -5.279 -23.851 -23.851 190 1HZ LYS 24 HZ2 LYS 24 -6.380 -22.798 -22.798 191 2HZ LYS 24 HZ1 LYS 24 -5.017 -23.092 -23.092 192 3HZ LYS 24 HZ3 LYS 24 -5.919 -24.392 -24.392 193 H GLY 25 HN GLY 25 0.537 -22.363 -22.363 194 1HA GLY 25 HA2 GLY 25 2.199 -24.698 -24.698 195 2HA GLY 25 HA1 GLY 25 1.337 -24.000 -24.000 196 H GLU 26 HN GLU 26 3.438 -22.996 -22.996 197 HA GLU 26 HA GLU 26 4.881 -21.112 -21.112 198 1HB GLU 26 HB2 GLU 26 6.742 -21.453 -21.453 199 2HB GLU 26 HB1 GLU 26 6.431 -22.767 -22.767 200 1HG GLU 26 HG2 GLU 26 5.118 -23.959 -23.959 201 2HG GLU 26 HG1 GLU 26 5.255 -22.606 -22.606 202 H ASP 27 HN ASP 27 2.974 -19.673 -19.673 203 HA ASP 27 HA ASP 27 3.580 -18.464 -18.464 204 1HB ASP 27 HB2 ASP 27 1.131 -18.255 -18.255 205 2HB ASP 27 HB1 ASP 27 1.350 -17.354 -17.354 206 H VAL 28 HN VAL 28 5.394 -17.960 -17.960 207 HA VAL 28 HA VAL 28 4.641 -15.462 -15.462 208 HB VAL 28 HB VAL 28 6.947 -15.636 -15.636 209 1HG1 VAL 28 HG11 VAL 28 5.128 -18.060 -18.060 210 2HG1 VAL 28 HG13 VAL 28 6.442 -17.778 -17.778 211 3HG1 VAL 28 HG12 VAL 28 5.082 -16.658 -16.658 212 1HG2 VAL 28 HG21 VAL 28 7.625 -17.037 -17.037 213 2HG2 VAL 28 HG23 VAL 28 8.433 -17.298 -17.298 214 3HG2 VAL 28 HG22 VAL 28 7.147 -18.389 -18.389 215 H ASN 29 HN ASN 29 4.300 -14.491 -14.491 216 HA ASN 29 HA ASN 29 6.377 -12.637 -12.637 217 1HB ASN 29 HB2 ASN 29 6.529 -13.506 -13.506 218 2HB ASN 29 HB1 ASN 29 7.570 -14.220 -14.220 219 1HD2 ASN 29 HD21 ASN 29 6.692 -16.283 -16.283 220 2HD2 ASN 29 HD22 ASN 29 5.737 -17.308 -17.308 221 H ARG 30 HN ARG 30 3.626 -12.690 -12.690 222 HA ARG 30 HA ARG 30 2.269 -11.766 -11.766 223 1HB ARG 30 HB2 ARG 30 1.166 -12.608 -12.608 224 2HB ARG 30 HB1 ARG 30 0.186 -12.033 -12.033 225 1HG ARG 30 HG2 ARG 30 1.052 -13.893 -13.893 226 2HG ARG 30 HG1 ARG 30 1.972 -14.484 -14.484 227 1HD ARG 30 HD2 ARG 30 -0.204 -15.676 -15.676 228 2HD ARG 30 HD1 ARG 30 -0.080 -14.850 -14.850 229 HE ARG 30 HE ARG 30 -1.314 -12.984 -12.984 230 1HH1 ARG 30 HH21 ARG 30 -1.810 -16.303 -16.303 231 2HH1 ARG 30 HH22 ARG 30 -3.532 -16.224 -16.224 232 1HH2 ARG 30 HH11 ARG 30 -3.561 -12.858 -12.858 233 2HH2 ARG 30 HH12 ARG 30 -4.525 -14.271 -14.271 234 H THR 31 HN THR 31 1.639 -9.623 -9.623 235 HA THR 31 HA THR 31 2.795 -7.669 -7.669 236 HB THR 31 HB THR 31 0.159 -7.046 -7.046 237 HG1 THR 31 HG1 THR 31 2.381 -8.154 -8.154 238 1HG2 THR 31 HG22 THR 31 2.899 -5.745 -5.745 239 2HG2 THR 31 HG21 THR 31 1.455 -5.066 -5.066 240 3HG2 THR 31 HG23 THR 31 1.526 -5.273 -5.273 241 H LEU 32 HN LEU 32 2.323 -7.107 -7.107 242 HA LEU 32 HA LEU 32 0.263 -8.443 -8.443 243 1HB LEU 32 HB2 LEU 32 2.567 -7.390 -7.390 244 2HB LEU 32 HB1 LEU 32 1.585 -5.965 -5.965 245 HG LEU 32 HG LEU 32 0.930 -8.720 -8.720 246 1HD1 LEU 32 HD13 LEU 32 3.125 -7.241 -7.241 247 2HD1 LEU 32 HD12 LEU 32 1.886 -6.636 -6.636 248 3HD1 LEU 32 HD11 LEU 32 2.255 -8.358 -8.358 249 1HD2 LEU 32 HD22 LEU 32 -0.125 -5.919 -5.919 250 2HD2 LEU 32 HD21 LEU 32 -1.026 -7.376 -7.376 251 3HD2 LEU 32 HD23 LEU 32 -0.368 -7.188 -7.188 252 H GLU 33 HN GLU 33 0.421 -4.961 -4.961 253 HA GLU 33 HA GLU 33 -2.485 -4.854 -4.854 254 1HB GLU 33 HB2 GLU 33 -2.284 -2.585 -2.585 255 2HB GLU 33 HB1 GLU 33 -1.070 -3.526 -3.526 256 1HG GLU 33 HG2 GLU 33 0.580 -2.832 -2.832 257 2HG GLU 33 HG1 GLU 33 -0.646 -1.693 -1.693 258 H GLY 34 HN GLY 34 0.129 -3.499 -3.499 259 1HA GLY 34 HA2 GLY 34 -1.643 -3.551 -3.551 260 2HA GLY 34 HA1 GLY 34 -1.386 -1.909 -1.909 261 H GLY 35 HN GLY 35 1.359 -2.534 -2.534 262 1HA GLY 35 HA2 GLY 35 2.781 -3.257 -3.257 263 2HA GLY 35 HA1 GLY 35 2.983 -1.587 -1.587 264 H ARG 36 HN ARG 36 2.487 -3.997 -3.997 265 HA ARG 36 HA ARG 36 5.401 -3.850 -3.850 266 1HB ARG 36 HB2 ARG 36 3.154 -4.281 -4.281 267 2HB ARG 36 HB1 ARG 36 4.811 -3.773 -3.773 268 1HG ARG 36 HG2 ARG 36 2.860 -2.111 -2.111 269 2HG ARG 36 HG1 ARG 36 3.086 -1.914 -1.914 270 1HD ARG 36 HD2 ARG 36 5.597 -1.657 -1.657 271 2HD ARG 36 HD1 ARG 36 5.088 -1.437 -1.437 272 HE ARG 36 HE ARG 36 3.512 0.363 0.363 273 1HH1 ARG 36 HH21 ARG 36 6.878 -0.372 -0.372 274 2HH1 ARG 36 HH22 ARG 36 7.383 1.256 1.256 275 1HH2 ARG 36 HH11 ARG 36 4.153 2.500 2.500 276 2HH2 ARG 36 HH12 ARG 36 5.840 2.883 2.883 277 H LYS 37 HN LYS 37 6.151 -5.773 -5.773 278 HA LYS 37 HA LYS 37 4.798 -8.283 -8.283 279 1HB LYS 37 HB2 LYS 37 7.371 -9.024 -9.024 280 2HB LYS 37 HB1 LYS 37 6.852 -8.667 -8.667 281 1HG LYS 37 HG2 LYS 37 8.826 -7.351 -7.351 282 2HG LYS 37 HG1 LYS 37 7.446 -6.257 -6.257 283 1HD LYS 37 HD2 LYS 37 7.284 -6.503 -6.503 284 2HD LYS 37 HD1 LYS 37 8.853 -7.304 -7.304 285 1HE LYS 37 HE2 LYS 37 8.160 -4.437 -4.437 286 2HE LYS 37 HE1 LYS 37 9.570 -5.131 -5.131 287 1HZ LYS 37 HZ1 LYS 37 10.018 -6.019 -6.019 288 2HZ LYS 37 HZ3 LYS 37 9.074 -4.680 -4.680 289 3HZ LYS 37 HZ2 LYS 37 10.495 -4.456 -4.456 290 HA PRO 38 HA PRO 38 4.235 -9.436 -9.436 291 1HB PRO 38 HB2 PRO 38 4.901 -12.154 -12.154 292 2HB PRO 38 HB1 PRO 38 3.346 -11.466 -11.466 293 1HG PRO 38 HG2 PRO 38 5.508 -12.552 -12.552 294 2HG PRO 38 HG1 PRO 38 3.808 -12.276 -12.276 295 1HD PRO 38 HD2 PRO 38 6.025 -10.685 -10.685 296 2HD PRO 38 HD1 PRO 38 4.305 -10.294 -10.294 297 H LEU 39 HN LEU 39 7.015 -8.408 -8.408 298 HA LEU 39 HA LEU 39 8.380 -10.025 -10.025 299 1HB LEU 39 HB2 LEU 39 9.383 -10.287 -10.287 300 2HB LEU 39 HB1 LEU 39 9.811 -8.580 -8.580 301 HG LEU 39 HG LEU 39 11.502 -8.927 -8.927 302 1HD1 LEU 39 HD12 LEU 39 10.036 -11.411 -11.411 303 2HD1 LEU 39 HD11 LEU 39 11.620 -10.914 -10.914 304 3HD1 LEU 39 HD13 LEU 39 10.212 -9.894 -9.894 305 1HD2 LEU 39 HD22 LEU 39 11.973 -10.256 -10.256 306 2HD2 LEU 39 HD21 LEU 39 12.759 -10.933 -10.933 307 3HD2 LEU 39 HD23 LEU 39 11.291 -11.674 -11.674 308 H HIS 40 HN HIS 40 7.607 -6.871 -6.871 309 HA HIS 40 HA HIS 40 9.383 -5.384 -5.384 310 1HB HIS 40 HB2 HIS 40 8.196 -4.598 -4.598 311 2HB HIS 40 HB1 HIS 40 6.804 -4.303 -4.303 312 HD1 HIS 40 HD1 HIS 40 10.337 -3.150 -3.150 313 HD2 HIS 40 HD2 HIS 40 7.076 -2.092 -2.092 314 HE1 HIS 40 HE1 HIS 40 10.890 -0.895 -0.895 315 H TYR 41 HN TYR 41 5.969 -6.347 -6.347 316 HA TYR 41 HA TYR 41 5.456 -5.013 -5.013 317 1HB TYR 41 HB2 TYR 41 4.004 -7.377 -7.377 318 2HB TYR 41 HB1 TYR 41 3.371 -6.254 -6.254 319 HD1 TYR 41 HD1 TYR 41 4.716 -6.429 -6.429 320 HD2 TYR 41 HD2 TYR 41 2.358 -4.232 -4.232 321 HE1 TYR 41 HE1 TYR 41 4.012 -4.873 -4.873 322 HE2 TYR 41 HE2 TYR 41 1.653 -2.678 -2.678 323 HH TYR 41 HH TYR 41 1.436 -2.870 -2.870 324 H ALA 42 HN ALA 42 6.366 -8.296 -8.296 325 HA ALA 42 HA ALA 42 6.314 -9.400 -9.400 326 1HB ALA 42 HB3 ALA 42 7.718 -10.201 -10.201 327 2HB ALA 42 HB2 ALA 42 7.886 -11.125 -11.125 328 3HB ALA 42 HB1 ALA 42 6.303 -10.956 -10.956 329 H ALA 43 HN ALA 43 9.001 -8.350 -8.350 330 HA ALA 43 HA ALA 43 11.082 -8.515 -8.515 331 1HB ALA 43 HB3 ALA 43 10.641 -6.400 -6.400 332 2HB ALA 43 HB2 ALA 43 12.181 -6.740 -6.740 333 3HB ALA 43 HB1 ALA 43 11.433 -7.956 -7.956 334 H ASP 44 HN ASP 44 9.254 -5.554 -5.554 335 HA ASP 44 HA ASP 44 10.208 -3.979 -3.979 336 1HB ASP 44 HB2 ASP 44 7.552 -3.776 -3.776 337 2HB ASP 44 HB1 ASP 44 8.307 -2.502 -2.502 338 H CYS 45 HN CYS 45 7.798 -6.502 -6.502 339 HA CYS 45 HA CYS 45 7.562 -6.161 -6.161 340 1HB CYS 45 HB2 CYS 45 4.884 -5.971 -5.971 341 2HB CYS 45 HB1 CYS 45 5.916 -4.573 -4.573 342 HG CYS 45 HG CYS 45 5.889 -5.255 -5.255 343 H GLY 46 HN GLY 46 8.411 -8.375 -8.375 344 1HA GLY 46 HA2 GLY 46 6.034 -10.210 -10.210 345 2HA GLY 46 HA1 GLY 46 7.555 -10.509 -10.509 346 H GLN 47 HN GLN 47 7.734 -9.238 -9.238 347 HA GLN 47 HA GLN 47 8.685 -10.222 -10.222 348 1HB GLN 47 HB2 GLN 47 7.357 -12.792 -12.792 349 2HB GLN 47 HB1 GLN 47 7.689 -12.271 -12.271 350 1HG GLN 47 HG2 GLN 47 5.685 -11.040 -11.040 351 2HG GLN 47 HG1 GLN 47 5.320 -11.948 -11.948 352 1HE2 GLN 47 HE21 GLN 47 4.597 -9.111 -9.111 353 2HE2 GLN 47 HE22 GLN 47 5.312 -8.185 -8.185 354 H LEU 48 HN LEU 48 9.667 -10.576 -10.576 355 HA LEU 48 HA LEU 48 11.595 -11.297 -11.297 356 1HB LEU 48 HB2 LEU 48 12.315 -12.095 -12.095 357 2HB LEU 48 HB1 LEU 48 13.411 -12.179 -12.179 358 HG LEU 48 HG LEU 48 13.973 -10.052 -10.052 359 1HD1 LEU 48 HD11 LEU 48 11.168 -9.387 -9.387 360 2HD1 LEU 48 HD13 LEU 48 12.510 -8.254 -8.254 361 3HD1 LEU 48 HD12 LEU 48 12.576 -9.586 -9.586 362 1HD2 LEU 48 HD21 LEU 48 11.416 -9.875 -9.875 363 2HD2 LEU 48 HD23 LEU 48 13.020 -10.240 -10.240 364 3HD2 LEU 48 HD22 LEU 48 12.672 -8.638 -8.638 365 H GLU 49 HN GLU 49 9.346 -13.312 -13.312 366 HA GLU 49 HA GLU 49 10.727 -15.789 -15.789 367 1HB GLU 49 HB2 GLU 49 7.866 -15.593 -15.593 368 2HB GLU 49 HB1 GLU 49 8.954 -16.963 -16.963 369 1HG GLU 49 HG2 GLU 49 10.341 -15.654 -15.654 370 2HG GLU 49 HG1 GLU 49 9.093 -14.408 -14.408 371 H ILE 50 HN ILE 50 8.050 -13.694 -13.694 372 HA ILE 50 HA ILE 50 7.122 -15.314 -15.314 373 HB ILE 50 HB ILE 50 6.873 -12.317 -12.317 374 1HG1 ILE 50 HG12 ILE 50 5.835 -14.436 -14.436 375 2HG1 ILE 50 HG11 ILE 50 5.832 -12.697 -12.697 376 1HG2 ILE 50 HG21 ILE 50 5.232 -14.503 -14.503 377 2HG2 ILE 50 HG23 ILE 50 4.741 -12.812 -12.812 378 3HG2 ILE 50 HG22 ILE 50 6.186 -13.267 -13.267 379 1HD1 ILE 50 HD11 ILE 50 3.879 -13.966 -13.966 380 2HD1 ILE 50 HD13 ILE 50 3.557 -13.946 -13.946 381 3HD1 ILE 50 HD12 ILE 50 3.761 -12.429 -12.429 382 H LEU 51 HN LEU 51 9.253 -12.431 -12.431 383 HA LEU 51 HA LEU 51 9.573 -12.282 -12.282 384 1HB LEU 51 HB2 LEU 51 12.180 -11.876 -11.876 385 2HB LEU 51 HB1 LEU 51 10.941 -10.639 -10.639 386 HG LEU 51 HG LEU 51 12.286 -10.639 -10.639 387 1HD1 LEU 51 HD11 LEU 51 9.497 -10.747 -10.747 388 2HD1 LEU 51 HD13 LEU 51 9.954 -11.762 -11.762 389 3HD1 LEU 51 HD12 LEU 51 10.505 -10.089 -10.089 390 1HD2 LEU 51 HD23 LEU 51 12.724 -13.199 -13.199 391 2HD2 LEU 51 HD22 LEU 51 12.687 -12.478 -12.478 392 3HD2 LEU 51 HD21 LEU 51 11.282 -13.362 -13.362 393 H GLU 52 HN GLU 52 11.620 -14.403 -14.403 394 HA GLU 52 HA GLU 52 12.923 -15.599 -15.599 395 1HB GLU 52 HB2 GLU 52 13.330 -17.571 -17.571 396 2HB GLU 52 HB1 GLU 52 14.018 -16.004 -16.004 397 1HG GLU 52 HG2 GLU 52 13.069 -16.655 -16.655 398 2HG GLU 52 HG1 GLU 52 11.792 -15.659 -15.659 399 H PHE 53 HN PHE 53 9.796 -16.344 -16.344 400 HA PHE 53 HA PHE 53 9.427 -18.944 -18.944 401 1HB PHE 53 HB2 PHE 53 7.798 -18.127 -18.127 402 2HB PHE 53 HB1 PHE 53 7.456 -16.724 -16.724 403 HD1 PHE 53 HD1 PHE 53 7.627 -20.454 -20.454 404 HD2 PHE 53 HD2 PHE 53 5.473 -16.818 -16.818 405 HE1 PHE 53 HE1 PHE 53 5.903 -21.737 -21.737 406 HE2 PHE 53 HE2 PHE 53 3.751 -18.098 -18.098 407 HZ PHE 53 HZ PHE 53 3.968 -20.565 -20.565 408 H LEU 54 HN LEU 54 7.619 -16.256 -16.256 409 HA LEU 54 HA LEU 54 7.267 -17.628 -17.628 410 1HB LEU 54 HB2 LEU 54 6.640 -15.499 -15.499 411 2HB LEU 54 HB1 LEU 54 5.918 -15.672 -15.672 412 HG LEU 54 HG LEU 54 6.631 -13.498 -13.498 413 1HD1 LEU 54 HD13 LEU 54 9.207 -14.943 -14.943 414 2HD1 LEU 54 HD12 LEU 54 8.797 -13.296 -13.296 415 3HD1 LEU 54 HD11 LEU 54 7.859 -14.642 -14.642 416 1HD2 LEU 54 HD21 LEU 54 8.912 -14.213 -14.213 417 2HD2 LEU 54 HD23 LEU 54 7.463 -13.290 -13.290 418 3HD2 LEU 54 HD22 LEU 54 8.667 -12.615 -12.615 419 H LEU 55 HN LEU 55 10.143 -16.612 -16.612 420 HA LEU 55 HA LEU 55 11.412 -16.023 -16.023 421 1HB LEU 55 HB2 LEU 55 11.951 -14.952 -14.952 422 2HB LEU 55 HB1 LEU 55 12.900 -16.413 -16.413 423 HG LEU 55 HG LEU 55 13.195 -14.564 -14.564 424 1HD1 LEU 55 HD13 LEU 55 14.404 -14.591 -14.591 425 2HD1 LEU 55 HD12 LEU 55 15.486 -14.250 -14.250 426 3HD1 LEU 55 HD11 LEU 55 14.077 -13.227 -13.227 427 1HD2 LEU 55 HD21 LEU 55 14.457 -17.123 -17.123 428 2HD2 LEU 55 HD23 LEU 55 14.138 -16.545 -16.545 429 3HD2 LEU 55 HD22 LEU 55 15.517 -15.919 -15.919 430 H LEU 56 HN LEU 56 11.227 -18.532 -18.532 431 HA LEU 56 HA LEU 56 13.203 -20.313 -20.313 432 1HB LEU 56 HB2 LEU 56 10.799 -20.501 -20.501 433 2HB LEU 56 HB1 LEU 56 11.236 -22.007 -22.007 434 HG LEU 56 HG LEU 56 13.582 -21.700 -21.700 435 1HD1 LEU 56 HD13 LEU 56 13.232 -19.191 -19.191 436 2HD1 LEU 56 HD12 LEU 56 12.336 -19.634 -19.634 437 3HD1 LEU 56 HD11 LEU 56 14.040 -20.060 -20.060 438 1HD2 LEU 56 HD22 LEU 56 11.237 -21.930 -21.930 439 2HD2 LEU 56 HD21 LEU 56 12.181 -23.234 -23.234 440 3HD2 LEU 56 HD23 LEU 56 12.901 -22.206 -22.206 441 H LYS 57 HN LYS 57 9.775 -19.975 -19.975 442 HA LYS 57 HA LYS 57 9.668 -22.047 -22.047 443 1HB LYS 57 HB2 LYS 57 8.056 -19.510 -19.510 444 2HB LYS 57 HB1 LYS 57 7.722 -20.606 -20.606 445 1HG LYS 57 HG2 LYS 57 6.249 -21.289 -21.289 446 2HG LYS 57 HG1 LYS 57 7.562 -22.466 -22.466 447 1HD LYS 57 HD2 LYS 57 8.101 -20.117 -20.117 448 2HD LYS 57 HD1 LYS 57 6.659 -21.001 -21.001 449 1HE LYS 57 HE2 LYS 57 9.231 -22.452 -22.452 450 2HE LYS 57 HE1 LYS 57 8.930 -21.752 -21.752 451 1HZ LYS 57 HZ2 LYS 57 6.621 -23.050 -23.050 452 2HZ LYS 57 HZ1 LYS 57 7.781 -24.088 -24.088 453 3HZ LYS 57 HZ3 LYS 57 7.886 -23.659 -23.659 454 H GLY 58 HN GLY 58 8.827 -19.064 -19.064 455 1HA GLY 58 HA2 GLY 58 10.810 -19.336 -19.336 456 2HA GLY 58 HA1 GLY 58 9.720 -17.960 -17.960 457 H ALA 59 HN ALA 59 10.981 -16.117 -16.117 458 HA ALA 59 HA ALA 59 12.563 -15.711 -15.711 459 1HB ALA 59 HB2 ALA 59 14.117 -16.650 -16.650 460 2HB ALA 59 HB1 ALA 59 14.853 -15.602 -15.602 461 3HB ALA 59 HB3 ALA 59 14.245 -17.190 -17.190 462 H ASP 60 HN ASP 60 11.133 -13.836 -13.836 463 HA ASP 60 HA ASP 60 11.760 -11.987 -11.987 464 1HB ASP 60 HB2 ASP 60 9.561 -12.126 -12.126 465 2HB ASP 60 HB1 ASP 60 10.431 -11.309 -11.309 466 H ILE 61 HN ILE 61 13.476 -13.137 -13.137 467 HA ILE 61 HA ILE 61 14.574 -11.081 -11.081 468 HB ILE 61 HB ILE 61 15.095 -13.586 -13.586 469 1HG1 ILE 61 HG12 ILE 61 17.264 -11.484 -11.484 470 2HG1 ILE 61 HG11 ILE 61 16.303 -12.146 -12.146 471 1HG2 ILE 61 HG21 ILE 61 15.732 -13.476 -13.476 472 2HG2 ILE 61 HG23 ILE 61 17.288 -12.874 -12.874 473 3HG2 ILE 61 HG22 ILE 61 16.727 -14.473 -14.473 474 1HD1 ILE 61 HD12 ILE 61 17.383 -14.435 -14.435 475 2HD1 ILE 61 HD11 ILE 61 18.660 -13.307 -13.307 476 3HD1 ILE 61 HD13 ILE 61 18.168 -13.442 -13.442 477 H ASN 62 HN ASN 62 14.965 -11.719 -11.719 478 HA ASN 62 HA ASN 62 16.644 -9.292 -9.292 479 1HB ASN 62 HB2 ASN 62 18.160 -10.489 -10.489 480 2HB ASN 62 HB1 ASN 62 18.249 -11.117 -11.117 481 1HD2 ASN 62 HD21 ASN 62 15.365 -12.295 -12.295 482 2HD2 ASN 62 HD22 ASN 62 15.765 -13.750 -13.750 483 H ALA 63 HN ALA 63 14.591 -11.672 -11.672 484 HA ALA 63 HA ALA 63 14.244 -11.242 -11.242 485 1HB ALA 63 HB1 ALA 63 12.601 -12.314 -12.314 486 2HB ALA 63 HB3 ALA 63 11.855 -10.727 -10.727 487 3HB ALA 63 HB2 ALA 63 11.916 -11.513 -11.513 488 HA PRO 64 HA PRO 64 11.833 -6.770 -6.770 489 1HB PRO 64 HB2 PRO 64 14.515 -6.076 -6.076 490 2HB PRO 64 HB1 PRO 64 12.918 -5.411 -5.411 491 1HG PRO 64 HG2 PRO 64 14.229 -7.502 -7.502 492 2HG PRO 64 HG1 PRO 64 12.526 -7.054 -7.054 493 1HD PRO 64 HD2 PRO 64 13.466 -9.511 -9.511 494 2HD PRO 64 HD1 PRO 64 11.823 -8.867 -8.867 495 H ASP 65 HN ASP 65 11.837 -5.541 -5.541 496 HA ASP 65 HA ASP 65 14.280 -5.149 -5.149 497 1HB ASP 65 HB2 ASP 65 11.576 -6.185 -6.185 498 2HB ASP 65 HB1 ASP 65 12.636 -5.357 -5.357 499 H LYS 66 HN LYS 66 10.824 -4.238 -4.238 500 HA LYS 66 HA LYS 66 11.374 -1.524 -1.524 501 1HB LYS 66 HB2 LYS 66 9.287 -2.917 -2.917 502 2HB LYS 66 HB1 LYS 66 8.785 -2.571 -2.571 503 1HG LYS 66 HG2 LYS 66 7.834 -0.785 -0.785 504 2HG LYS 66 HG1 LYS 66 9.397 -0.082 -0.082 505 1HD LYS 66 HD2 LYS 66 10.193 -0.815 -0.815 506 2HD LYS 66 HD1 LYS 66 8.542 -1.322 -1.322 507 1HE LYS 66 HE2 LYS 66 9.411 1.487 1.487 508 2HE LYS 66 HE1 LYS 66 8.955 0.941 0.941 509 1HZ LYS 66 HZ1 LYS 66 6.819 0.173 0.173 510 2HZ LYS 66 HZ3 LYS 66 7.279 1.449 1.449 511 3HZ LYS 66 HZ2 LYS 66 6.969 1.745 1.745 512 H HIS 67 HN HIS 67 11.092 -3.230 -3.230 513 HA HIS 67 HA HIS 67 10.498 -0.901 -0.901 514 1HB HIS 67 HB2 HIS 67 11.792 -3.434 -3.434 515 2HB HIS 67 HB1 HIS 67 10.620 -2.401 -2.401 516 HD1 HIS 67 HD1 HIS 67 8.214 -3.070 -3.070 517 HD2 HIS 67 HD2 HIS 67 10.571 -4.921 -4.921 518 HE1 HIS 67 HE1 HIS 67 6.710 -4.712 -4.712 519 H HIS 68 HN HIS 68 13.041 -1.719 -1.719 520 HA HIS 68 HA HIS 68 15.373 -1.389 -1.389 521 1HB HIS 68 HB2 HIS 68 15.890 0.925 0.925 522 2HB HIS 68 HB1 HIS 68 14.277 0.861 0.861 523 HD1 HIS 68 HD1 HIS 68 12.241 1.297 1.297 524 HD2 HIS 68 HD2 HIS 68 15.998 2.034 2.034 525 HE1 HIS 68 HE1 HIS 68 11.846 2.639 2.639 526 H ILE 69 HN ILE 69 14.223 -2.714 -2.714 527 HA ILE 69 HA ILE 69 16.633 -2.216 -2.216 528 HB ILE 69 HB ILE 69 14.284 -0.774 -0.774 529 1HG1 ILE 69 HG12 ILE 69 16.641 -0.034 -0.034 530 2HG1 ILE 69 HG11 ILE 69 15.766 0.174 0.174 531 1HG2 ILE 69 HG21 ILE 69 13.614 -2.853 -2.853 532 2HG2 ILE 69 HG23 ILE 69 15.110 -2.734 -2.734 533 3HG2 ILE 69 HG22 ILE 69 13.893 -1.472 -1.472 534 1HD1 ILE 69 HD13 ILE 69 16.740 -2.238 -2.238 535 2HD1 ILE 69 HD12 ILE 69 17.939 -1.793 -1.793 536 3HD1 ILE 69 HD11 ILE 69 17.733 -0.806 -0.806 537 H THR 70 HN THR 70 16.907 -3.431 -3.431 538 HA THR 70 HA THR 70 15.786 -6.164 -6.164 539 HB THR 70 HB THR 70 17.966 -6.834 -6.834 540 HG1 THR 70 HG1 THR 70 19.234 -4.981 -4.981 541 1HG2 THR 70 HG22 THR 70 17.936 -5.109 -5.109 542 2HG2 THR 70 HG21 THR 70 18.625 -3.972 -3.972 543 3HG2 THR 70 HG23 THR 70 19.513 -5.434 -5.434 544 HA PRO 71 HA PRO 71 13.676 -4.561 -4.561 545 1HB PRO 71 HB2 PRO 71 13.035 -7.367 -7.367 546 2HB PRO 71 HB1 PRO 71 11.932 -6.022 -6.022 547 1HG PRO 71 HG2 PRO 71 12.370 -8.080 -8.080 548 2HG PRO 71 HG1 PRO 71 11.926 -6.447 -6.447 549 1HD PRO 71 HD2 PRO 71 14.588 -7.794 -7.794 550 2HD PRO 71 HD1 PRO 71 13.905 -6.524 -6.524 551 H LEU 72 HN LEU 72 16.378 -6.719 -6.719 552 HA LEU 72 HA LEU 72 16.456 -7.194 -7.194 553 1HB LEU 72 HB2 LEU 72 19.041 -6.448 -6.448 554 2HB LEU 72 HB1 LEU 72 18.685 -7.776 -7.776 555 HG LEU 72 HG LEU 72 19.011 -8.946 -8.946 556 1HD1 LEU 72 HD12 LEU 72 16.414 -8.856 -8.856 557 2HD1 LEU 72 HD11 LEU 72 16.232 -8.439 -8.439 558 3HD1 LEU 72 HD13 LEU 72 17.031 -9.940 -9.940 559 1HD2 LEU 72 HD21 LEU 72 19.211 -6.676 -6.676 560 2HD2 LEU 72 HD23 LEU 72 18.798 -8.132 -8.132 561 3HD2 LEU 72 HD22 LEU 72 17.540 -6.995 -6.995 562 H LEU 73 HN LEU 73 17.297 -4.389 -4.389 563 HA LEU 73 HA LEU 73 18.343 -2.815 -2.815 564 1HB LEU 73 HB2 LEU 73 17.142 -1.986 -1.986 565 2HB LEU 73 HB1 LEU 73 17.945 -0.888 -0.888 566 HG LEU 73 HG LEU 73 19.916 -2.649 -2.649 567 1HD1 LEU 73 HD13 LEU 73 18.282 -3.161 -3.161 568 2HD1 LEU 73 HD12 LEU 73 20.016 -3.478 -3.478 569 3HD1 LEU 73 HD11 LEU 73 18.925 -4.342 -4.342 570 1HD2 LEU 73 HD22 LEU 73 19.168 -0.518 -0.518 571 2HD2 LEU 73 HD21 LEU 73 20.352 -0.446 -0.446 572 3HD2 LEU 73 HD23 LEU 73 20.688 -1.397 -1.397 573 H SER 74 HN SER 74 15.192 -3.742 -3.742 574 HA SER 74 HA SER 74 13.672 -1.594 -1.594 575 1HB SER 74 HB2 SER 74 12.803 -3.516 -3.516 576 2HB SER 74 HB1 SER 74 12.827 -4.495 -4.495 577 HG SER 74 HG SER 74 11.597 -2.508 -2.508 578 H ALA 75 HN ALA 75 14.777 -4.596 -4.596 579 HA ALA 75 HA ALA 75 13.656 -3.899 -3.899 580 1HB ALA 75 HB1 ALA 75 14.258 -6.223 -6.223 581 2HB ALA 75 HB3 ALA 75 15.961 -5.765 -5.765 582 3HB ALA 75 HB2 ALA 75 15.024 -5.725 -5.725 583 H VAL 76 HN VAL 76 16.751 -3.320 -3.320 584 HA VAL 76 HA VAL 76 18.390 -2.537 -2.537 585 HB VAL 76 HB VAL 76 17.996 -1.330 -1.330 586 1HG1 VAL 76 HG12 VAL 76 19.151 0.176 0.176 587 2HG1 VAL 76 HG11 VAL 76 20.505 -0.920 -0.920 588 3HG1 VAL 76 HG13 VAL 76 19.860 0.025 0.025 589 1HG2 VAL 76 HG21 VAL 76 20.048 -3.218 -3.218 590 2HG2 VAL 76 HG23 VAL 76 18.741 -3.673 -3.673 591 3HG2 VAL 76 HG22 VAL 76 20.053 -2.644 -2.644 592 H TYR 77 HN TYR 77 16.305 -0.148 -0.148 593 HA TYR 77 HA TYR 77 16.530 1.719 1.719 594 1HB TYR 77 HB2 TYR 77 14.322 2.041 2.041 595 2HB TYR 77 HB1 TYR 77 15.483 3.230 3.230 596 HD1 TYR 77 HD2 TYR 77 17.740 3.392 3.392 597 HD2 TYR 77 HD1 TYR 77 14.824 0.604 0.604 598 HE1 TYR 77 HE2 TYR 77 19.065 3.092 3.092 599 HE2 TYR 77 HE1 TYR 77 16.161 0.311 0.311 600 HH TYR 77 HH TYR 77 18.951 0.697 0.697 601 H GLU 78 HN GLU 78 15.611 -0.664 -0.664 602 HA GLU 78 HA GLU 78 12.772 0.015 0.015 603 1HB GLU 78 HB2 GLU 78 13.147 -2.039 -2.039 604 2HB GLU 78 HB1 GLU 78 13.751 -2.836 -2.836 605 1HG GLU 78 HG2 GLU 78 11.563 -2.016 -2.016 606 2HG GLU 78 HG1 GLU 78 10.987 -1.758 -1.758 607 H GLY 79 HN GLY 79 15.877 -1.272 -1.272 608 1HA GLY 79 HA2 GLY 79 16.708 -1.147 -1.147 609 2HA GLY 79 HA1 GLY 79 15.061 -0.816 -0.816 610 H HIS 80 HN HIS 80 14.614 -3.152 -3.152 611 HA HIS 80 HA HIS 80 14.338 -5.252 -5.252 612 1HB HIS 80 HB2 HIS 80 13.648 -4.885 -4.885 613 2HB HIS 80 HB1 HIS 80 13.800 -6.540 -6.540 614 HD1 HIS 80 HD1 HIS 80 11.506 -7.376 -7.376 615 HD2 HIS 80 HD2 HIS 80 11.985 -3.401 -3.401 616 HE1 HIS 80 HE1 HIS 80 9.346 -6.699 -6.699 617 H VAL 81 HN VAL 81 15.951 -5.097 -5.097 618 HA VAL 81 HA VAL 81 17.676 -6.449 -6.449 619 HB VAL 81 HB VAL 81 19.805 -5.888 -5.888 620 1HG1 VAL 81 HG11 VAL 81 19.005 -4.943 -4.943 621 2HG1 VAL 81 HG13 VAL 81 18.269 -3.639 -3.639 622 3HG1 VAL 81 HG12 VAL 81 20.015 -3.879 -3.879 623 1HG2 VAL 81 HG21 VAL 81 18.398 -5.141 -5.141 624 2HG2 VAL 81 HG23 VAL 81 19.435 -3.853 -3.853 625 3HG2 VAL 81 HG22 VAL 81 17.719 -3.869 -3.869 626 H SER 82 HN SER 82 15.959 -7.717 -7.717 627 HA SER 82 HA SER 82 17.832 -9.666 -9.666 628 1HB SER 82 HB2 SER 82 14.961 -9.010 -9.010 629 2HB SER 82 HB1 SER 82 15.277 -10.742 -10.742 630 HG SER 82 HG SER 82 16.432 -8.781 -8.781 631 H CYS 83 HN CYS 83 15.994 -9.012 -9.012 632 HA CYS 83 HA CYS 83 15.938 -11.753 -11.753 633 1HB CYS 83 HB2 CYS 83 14.101 -10.630 -10.630 634 2HB CYS 83 HB1 CYS 83 14.932 -9.071 -9.071 635 HG CYS 83 HG CYS 83 14.766 -10.998 -10.998 636 H VAL 84 HN VAL 84 17.467 -8.632 -8.632 637 HA VAL 84 HA VAL 84 19.065 -9.418 -9.418 638 HB VAL 84 HB VAL 84 20.849 -7.927 -7.927 639 1HG1 VAL 84 HG13 VAL 84 18.705 -7.065 -7.065 640 2HG1 VAL 84 HG12 VAL 84 18.124 -6.747 -6.747 641 3HG1 VAL 84 HG11 VAL 84 19.551 -5.911 -5.911 642 1HG2 VAL 84 HG22 VAL 84 19.215 -8.107 -8.107 643 2HG2 VAL 84 HG21 VAL 84 20.948 -8.377 -8.377 644 3HG2 VAL 84 HG23 VAL 84 20.289 -6.744 -6.744 645 H LYS 85 HN LYS 85 19.525 -10.260 -10.260 646 HA LYS 85 HA LYS 85 22.009 -11.649 -11.649 647 1HB LYS 85 HB2 LYS 85 20.086 -11.151 -11.151 648 2HB LYS 85 HB1 LYS 85 20.583 -12.835 -12.835 649 1HG LYS 85 HG2 LYS 85 22.160 -11.731 -11.731 650 2HG LYS 85 HG1 LYS 85 23.003 -11.939 -11.939 651 1HD LYS 85 HD2 LYS 85 22.377 -9.633 -9.633 652 2HD LYS 85 HD1 LYS 85 21.564 -9.425 -9.425 653 1HE LYS 85 HE2 LYS 85 24.521 -9.832 -9.832 654 2HE LYS 85 HE1 LYS 85 23.734 -8.447 -8.447 655 1HZ LYS 85 HZ1 LYS 85 23.699 -11.196 -11.196 656 2HZ LYS 85 HZ3 LYS 85 24.786 -9.987 -9.987 657 3HZ LYS 85 HZ2 LYS 85 23.120 -9.784 -9.784 658 H LEU 86 HN LEU 86 18.718 -12.896 -12.896 659 HA LEU 86 HA LEU 86 19.235 -15.592 -15.592 660 1HB LEU 86 HB2 LEU 86 17.281 -15.658 -15.658 661 2HB LEU 86 HB1 LEU 86 17.050 -13.931 -13.931 662 HG LEU 86 HG LEU 86 15.174 -15.138 -15.138 663 1HD1 LEU 86 HD13 LEU 86 16.588 -13.196 -13.196 664 2HD1 LEU 86 HD12 LEU 86 16.197 -14.409 -14.409 665 3HD1 LEU 86 HD11 LEU 86 14.914 -13.672 -13.672 666 1HD2 LEU 86 HD21 LEU 86 17.182 -16.937 -16.937 667 2HD2 LEU 86 HD23 LEU 86 15.432 -17.145 -17.145 668 3HD2 LEU 86 HD22 LEU 86 16.192 -16.380 -16.380 669 H LEU 87 HN LEU 87 19.157 -12.785 -12.785 670 HA LEU 87 HA LEU 87 17.909 -13.909 -13.909 671 1HB LEU 87 HB2 LEU 87 18.570 -11.339 -11.339 672 2HB LEU 87 HB1 LEU 87 19.470 -11.554 -11.554 673 HG LEU 87 HG LEU 87 16.510 -12.111 -12.111 674 1HD1 LEU 87 HD12 LEU 87 17.281 -9.665 -9.665 675 2HD1 LEU 87 HD11 LEU 87 17.776 -9.823 -9.823 676 3HD1 LEU 87 HD13 LEU 87 16.082 -10.031 -10.031 677 1HD2 LEU 87 HD23 LEU 87 18.342 -13.016 -13.016 678 2HD2 LEU 87 HD22 LEU 87 16.592 -12.948 -12.948 679 3HD2 LEU 87 HD21 LEU 87 17.592 -11.616 -11.616 680 H LEU 88 HN LEU 88 21.248 -12.474 -12.474 681 HA LEU 88 HA LEU 88 22.104 -13.703 -13.703 682 1HB LEU 88 HB2 LEU 88 24.384 -13.385 -13.385 683 2HB LEU 88 HB1 LEU 88 23.484 -12.016 -12.016 684 HG LEU 88 HG LEU 88 24.982 -12.672 -12.672 685 1HD1 LEU 88 HD12 LEU 88 22.550 -12.326 -12.326 686 2HD1 LEU 88 HD11 LEU 88 22.423 -14.081 -14.081 687 3HD1 LEU 88 HD13 LEU 88 23.526 -13.211 -13.211 688 1HD2 LEU 88 HD23 LEU 88 25.002 -15.148 -15.148 689 2HD2 LEU 88 HD22 LEU 88 25.695 -14.792 -14.792 690 3HD2 LEU 88 HD21 LEU 88 24.076 -15.477 -15.477 691 H SER 89 HN SER 89 21.278 -15.258 -15.258 692 HA SER 89 HA SER 89 22.922 -17.587 -17.587 693 1HB SER 89 HB2 SER 89 21.611 -17.589 -17.589 694 2HB SER 89 HB1 SER 89 20.194 -16.975 -16.975 695 HG SER 89 HG SER 89 21.250 -19.587 -19.587 696 H LYS 90 HN LYS 90 20.671 -16.230 -16.230 697 HA LYS 90 HA LYS 90 20.268 -18.797 -18.797 698 1HB LYS 90 HB2 LYS 90 18.601 -16.279 -16.279 699 2HB LYS 90 HB1 LYS 90 18.330 -17.499 -17.499 700 1HG LYS 90 HG2 LYS 90 18.022 -19.207 -19.207 701 2HG LYS 90 HG1 LYS 90 18.266 -17.985 -17.985 702 1HD LYS 90 HD2 LYS 90 16.081 -17.867 -17.867 703 2HD LYS 90 HD1 LYS 90 15.845 -18.496 -18.496 704 1HE LYS 90 HE2 LYS 90 16.440 -15.670 -15.670 705 2HE LYS 90 HE1 LYS 90 15.150 -16.259 -16.259 706 1HZ LYS 90 HZ2 LYS 90 17.259 -17.039 -17.039 707 2HZ LYS 90 HZ1 LYS 90 17.930 -15.676 -15.676 708 3HZ LYS 90 HZ3 LYS 90 16.541 -15.513 -15.513 709 H GLY 91 HN GLY 91 21.677 -15.674 -15.674 710 1HA GLY 91 HA2 GLY 91 23.462 -15.588 -15.588 711 2HA GLY 91 HA1 GLY 91 22.090 -15.821 -15.821 712 H ALA 92 HN ALA 92 20.773 -14.066 -14.066 713 HA ALA 92 HA ALA 92 20.328 -11.777 -11.777 714 1HB ALA 92 HB1 ALA 92 20.174 -12.422 -12.422 715 2HB ALA 92 HB3 ALA 92 20.645 -10.737 -10.737 716 3HB ALA 92 HB2 ALA 92 19.151 -11.342 -11.342 717 H ASP 93 HN ASP 93 23.389 -12.764 -12.764 718 HA ASP 93 HA ASP 93 25.469 -11.631 -11.631 719 1HB ASP 93 HB2 ASP 93 24.860 -10.931 -10.931 720 2HB ASP 93 HB1 ASP 93 23.791 -9.683 -9.683 721 H LYS 94 HN LYS 94 23.882 -8.584 -8.584 722 HA LYS 94 HA LYS 94 23.427 -8.205 -8.205 723 1HB LYS 94 HB2 LYS 94 25.168 -6.295 -6.295 724 2HB LYS 94 HB1 LYS 94 25.761 -7.945 -7.945 725 1HG LYS 94 HG2 LYS 94 26.716 -7.963 -7.963 726 2HG LYS 94 HG1 LYS 94 25.679 -6.663 -6.663 727 1HD LYS 94 HD2 LYS 94 27.567 -6.074 -6.074 728 2HD LYS 94 HD1 LYS 94 28.207 -6.174 -6.174 729 1HE LYS 94 HE2 LYS 94 26.589 -4.479 -4.479 730 2HE LYS 94 HE1 LYS 94 25.905 -4.392 -4.392 731 1HZ LYS 94 HZ2 LYS 94 28.789 -3.989 -3.989 732 2HZ LYS 94 HZ1 LYS 94 27.753 -2.730 -2.730 733 3HZ LYS 94 HZ3 LYS 94 27.714 -3.301 -3.301 734 H THR 95 HN THR 95 24.188 -6.766 -6.766 735 HA THR 95 HA THR 95 21.672 -5.304 -5.304 736 HB THR 95 HB THR 95 24.334 -4.037 -4.037 737 HG1 THR 95 HG1 THR 95 22.757 -4.018 -4.018 738 1HG2 THR 95 HG21 THR 95 22.373 -3.085 -3.085 739 2HG2 THR 95 HG23 THR 95 23.095 -1.881 -1.881 740 3HG2 THR 95 HG22 THR 95 24.125 -2.889 -2.889 741 H VAL 96 HN VAL 96 21.827 -7.168 -7.168 742 HA VAL 96 HA VAL 96 23.645 -7.006 -7.006 743 HB VAL 96 HB VAL 96 21.746 -8.847 -8.847 744 1HG1 VAL 96 HG11 VAL 96 20.221 -7.932 -7.932 745 2HG1 VAL 96 HG13 VAL 96 21.390 -8.536 -8.536 746 3HG1 VAL 96 HG12 VAL 96 20.562 -9.658 -9.658 747 1HG2 VAL 96 HG22 VAL 96 24.117 -9.245 -9.245 748 2HG2 VAL 96 HG21 VAL 96 22.989 -10.445 -10.445 749 3HG2 VAL 96 HG23 VAL 96 23.588 -9.157 -9.157 750 H LYS 97 HN LYS 97 21.414 -4.757 -4.757 751 HA LYS 97 HA LYS 97 21.317 -4.003 -4.003 752 1HB LYS 97 HB2 LYS 97 19.218 -5.656 -5.656 753 2HB LYS 97 HB1 LYS 97 18.529 -4.045 -4.045 754 1HG LYS 97 HG2 LYS 97 19.679 -3.991 -3.991 755 2HG LYS 97 HG1 LYS 97 19.938 -5.725 -5.725 756 1HD LYS 97 HD2 LYS 97 17.420 -5.870 -5.870 757 2HD LYS 97 HD1 LYS 97 17.319 -4.232 -4.232 758 1HE LYS 97 HE2 LYS 97 16.892 -5.572 -5.572 759 2HE LYS 97 HE1 LYS 97 18.607 -5.197 -5.197 760 1HZ LYS 97 HZ3 LYS 97 19.009 -7.335 -7.335 761 2HZ LYS 97 HZ2 LYS 97 17.368 -7.697 -7.697 762 3HZ LYS 97 HZ1 LYS 97 18.410 -7.499 -7.499 763 H GLY 98 HN GLY 98 21.517 -3.007 -3.007 764 1HA GLY 98 HA2 GLY 98 19.716 -0.718 -0.718 765 2HA GLY 98 HA1 GLY 98 21.066 -0.965 -0.965 766 HA PRO 99 HA PRO 99 21.804 2.605 2.605 767 1HB PRO 99 HB2 PRO 99 23.105 3.530 3.530 768 2HB PRO 99 HB1 PRO 99 22.063 4.435 4.435 769 1HG PRO 99 HG2 PRO 99 21.268 3.391 3.391 770 2HG PRO 99 HG1 PRO 99 20.162 3.879 3.879 771 1HD PRO 99 HD2 PRO 99 20.700 1.199 1.199 772 2HD PRO 99 HD1 PRO 99 19.541 1.694 1.694 773 H ASP 100 HN ASP 100 24.061 2.032 2.032 774 HA ASP 100 HA ASP 100 25.849 0.362 0.362 775 1HB ASP 100 HB2 ASP 100 26.370 2.499 2.499 776 2HB ASP 100 HB1 ASP 100 26.652 3.259 3.259 777 H GLY 101 HN GLY 101 27.661 2.446 2.446 778 1HA GLY 101 HA2 GLY 101 28.021 0.523 0.523 779 2HA GLY 101 HA1 GLY 101 28.618 2.184 2.184 780 H LEU 102 HN LEU 102 25.330 2.440 2.440 781 HA LEU 102 HA LEU 102 24.769 3.533 3.533 782 1HB LEU 102 HB2 LEU 102 23.225 3.815 3.815 783 2HB LEU 102 HB1 LEU 102 22.653 2.176 2.176 784 HG LEU 102 HG LEU 102 22.685 4.287 4.287 785 1HD1 LEU 102 HD11 LEU 102 21.266 4.969 4.969 786 2HD1 LEU 102 HD13 LEU 102 20.263 3.569 3.569 787 3HD1 LEU 102 HD12 LEU 102 20.432 4.872 4.872 788 1HD2 LEU 102 HD23 LEU 102 21.642 1.519 1.519 789 2HD2 LEU 102 HD22 LEU 102 22.272 2.356 2.356 790 3HD2 LEU 102 HD21 LEU 102 20.619 2.654 2.654 791 H THR 103 HN THR 103 23.347 0.507 0.507 792 HA THR 103 HA THR 103 22.442 -1.142 -1.142 793 HB THR 103 HB THR 103 24.384 -2.235 -2.235 794 HG1 THR 103 HG1 THR 103 23.898 -3.235 -3.235 795 1HG2 THR 103 HG23 THR 103 25.921 -0.214 -0.214 796 2HG2 THR 103 HG22 THR 103 26.658 -1.617 -1.617 797 3HG2 THR 103 HG21 THR 103 25.896 -0.368 -0.368 798 H ALA 104 HN ALA 104 25.007 -1.042 -1.042 799 HA ALA 104 HA ALA 104 23.264 -0.023 -0.023 800 1HB ALA 104 HB3 ALA 104 25.872 -1.536 -1.536 801 2HB ALA 104 HB2 ALA 104 25.209 -0.880 -0.880 802 3HB ALA 104 HB1 ALA 104 24.306 -2.093 -2.093 803 H LEU 105 HN LEU 105 26.163 0.951 0.951 804 HA LEU 105 HA LEU 105 27.333 2.695 2.695 805 1HB LEU 105 HB2 LEU 105 27.174 3.252 3.252 806 2HB LEU 105 HB1 LEU 105 28.447 3.705 3.705 807 HG LEU 105 HG LEU 105 27.753 0.904 0.904 808 1HD1 LEU 105 HD11 LEU 105 29.074 2.437 2.437 809 2HD1 LEU 105 HD13 LEU 105 30.319 2.483 2.483 810 3HD1 LEU 105 HD12 LEU 105 29.912 0.956 0.956 811 1HD2 LEU 105 HD23 LEU 105 29.601 1.930 1.930 812 2HD2 LEU 105 HD22 LEU 105 28.391 0.652 0.652 813 3HD2 LEU 105 HD21 LEU 105 29.882 0.378 0.378 814 H GLU 106 HN GLU 106 25.377 3.931 3.931 815 HA GLU 106 HA GLU 106 25.028 6.441 6.441 816 1HB GLU 106 HB2 GLU 106 25.050 7.000 7.000 817 2HB GLU 106 HB1 GLU 106 24.575 5.384 5.384 818 1HG GLU 106 HG2 GLU 106 22.793 6.737 6.737 819 2HG GLU 106 HG1 GLU 106 22.200 6.045 6.045 820 H ALA 107 HN ALA 107 23.540 3.533 3.533 821 HA ALA 107 HA ALA 107 20.779 4.415 4.415 822 1HB ALA 107 HB2 ALA 107 22.192 1.941 1.941 823 2HB ALA 107 HB1 ALA 107 20.466 2.212 2.212 824 3HB ALA 107 HB3 ALA 107 21.123 2.089 2.089 825 H THR 108 HN THR 108 23.215 3.671 3.671 826 HA THR 108 HA THR 108 21.704 5.559 5.559 827 HB THR 108 HB THR 108 20.556 3.360 3.360 828 HG1 THR 108 HG1 THR 108 20.332 3.608 3.608 829 1HG2 THR 108 HG21 THR 108 22.878 2.191 2.191 830 2HG2 THR 108 HG23 THR 108 23.012 2.338 2.338 831 3HG2 THR 108 HG22 THR 108 21.676 1.434 1.434 832 H ASP 109 HN ASP 109 22.650 4.404 4.404 833 HA ASP 109 HA ASP 109 25.582 4.564 4.564 834 1HB ASP 109 HB2 ASP 109 24.801 6.894 6.894 835 2HB ASP 109 HB1 ASP 109 23.906 6.328 6.328 836 H ASN 110 HN ASN 110 22.785 3.092 3.092 837 HA ASN 110 HA ASN 110 23.869 2.340 2.340 838 1HB ASN 110 HB2 ASN 110 21.966 0.843 0.843 839 2HB ASN 110 HB1 ASN 110 21.387 2.381 2.381 840 1HD2 ASN 110 HD21 ASN 110 22.823 1.434 1.434 841 2HD2 ASN 110 HD22 ASN 110 21.649 0.446 0.446 842 H GLN 111 HN GLN 111 25.058 0.542 0.542 843 HA GLN 111 HA GLN 111 26.557 -0.546 -0.546 844 1HB GLN 111 HB2 GLN 111 27.767 -0.232 -0.232 845 2HB GLN 111 HB1 GLN 111 26.507 -0.899 -0.899 846 1HG GLN 111 HG2 GLN 111 27.029 -3.144 -3.144 847 2HG GLN 111 HG1 GLN 111 28.108 -2.556 -2.556 848 1HE2 GLN 111 HE21 GLN 111 29.593 -4.094 -4.094 849 2HE2 GLN 111 HE22 GLN 111 30.450 -3.295 -3.295 850 H ALA 112 HN ALA 112 23.484 -1.563 -1.563 851 HA ALA 112 HA ALA 112 24.039 -4.446 -4.446 852 1HB ALA 112 HB3 ALA 112 21.471 -2.850 -2.850 853 2HB ALA 112 HB2 ALA 112 21.508 -4.597 -4.597 854 3HB ALA 112 HB1 ALA 112 22.094 -3.899 -3.899 855 H ILE 113 HN ILE 113 22.802 -1.845 -1.845 856 HA ILE 113 HA ILE 113 22.276 -3.302 -3.302 857 HB ILE 113 HB ILE 113 22.671 -0.458 -0.458 858 1HG1 ILE 113 HG12 ILE 113 20.493 -0.287 -0.287 859 2HG1 ILE 113 HG11 ILE 113 20.487 -2.049 -2.049 860 1HG2 ILE 113 HG21 ILE 113 22.934 -1.459 -1.459 861 2HG2 ILE 113 HG23 ILE 113 22.295 0.154 0.154 862 3HG2 ILE 113 HG22 ILE 113 23.917 -0.276 -0.276 863 1HD1 ILE 113 HD12 ILE 113 21.000 -1.391 -1.391 864 2HD1 ILE 113 HD11 ILE 113 19.920 -0.092 -0.092 865 3HD1 ILE 113 HD13 ILE 113 19.404 -1.769 -1.769 866 H LYS 114 HN LYS 114 24.848 -1.156 -1.156 867 HA LYS 114 HA LYS 114 26.584 -1.458 -1.458 868 1HB LYS 114 HB2 LYS 114 27.451 -1.193 -1.193 869 2HB LYS 114 HB1 LYS 114 28.304 -0.600 -0.600 870 1HG LYS 114 HG2 LYS 114 25.518 0.351 0.351 871 2HG LYS 114 HG1 LYS 114 26.970 1.156 1.156 872 1HD LYS 114 HD2 LYS 114 27.680 1.259 1.259 873 2HD LYS 114 HD1 LYS 114 25.995 0.877 0.877 874 1HE LYS 114 HE2 LYS 114 26.226 3.286 3.286 875 2HE LYS 114 HE1 LYS 114 25.326 2.831 2.831 876 1HZ LYS 114 HZ1 LYS 114 28.264 3.118 3.118 877 2HZ LYS 114 HZ3 LYS 114 27.255 4.470 4.470 878 3HZ LYS 114 HZ2 LYS 114 27.158 3.187 3.187 879 H ALA 115 HN ALA 115 25.541 -3.750 -3.750 880 HA ALA 115 HA ALA 115 27.831 -5.455 -5.455 881 1HB ALA 115 HB2 ALA 115 25.637 -5.566 -5.566 882 2HB ALA 115 HB1 ALA 115 25.018 -6.514 -6.514 883 3HB ALA 115 HB3 ALA 115 26.426 -7.077 -7.077 884 H LEU 116 HN LEU 116 25.065 -5.238 -5.238 885 HA LEU 116 HA LEU 116 25.974 -7.502 -7.502 886 1HB LEU 116 HB2 LEU 116 23.885 -5.415 -5.415 887 2HB LEU 116 HB1 LEU 116 24.514 -6.018 -6.018 888 HG LEU 116 HG LEU 116 23.123 -7.570 -7.570 889 1HD1 LEU 116 HD13 LEU 116 22.658 -7.131 -7.131 890 2HD1 LEU 116 HD12 LEU 116 21.746 -8.287 -8.287 891 3HD1 LEU 116 HD11 LEU 116 21.650 -6.563 -6.563 892 1HD2 LEU 116 HD23 LEU 116 25.029 -8.550 -8.550 893 2HD2 LEU 116 HD22 LEU 116 24.693 -9.206 -9.206 894 3HD2 LEU 116 HD21 LEU 116 23.568 -9.498 -9.498 895 H LEU 117 HN LEU 117 27.002 -4.225 -4.225 896 HA LEU 117 HA LEU 117 28.142 -4.116 -4.116 897 1HB LEU 117 HB2 LEU 117 28.412 -1.917 -1.917 898 2HB LEU 117 HB1 LEU 117 27.572 -2.226 -2.226 899 HG LEU 117 HG LEU 117 29.928 -2.834 -2.834 900 1HD1 LEU 117 HD13 LEU 117 30.631 -2.265 -2.265 901 2HD1 LEU 117 HD12 LEU 117 31.202 -0.893 -0.893 902 3HD1 LEU 117 HD11 LEU 117 31.733 -2.520 -2.520 903 1HD2 LEU 117 HD22 LEU 117 28.416 -0.595 -0.595 904 2HD2 LEU 117 HD21 LEU 117 30.005 -0.714 -0.714 905 3HD2 LEU 117 HD23 LEU 117 29.833 0.059 0.059 906 H GLN 118 HN GLN 118 28.723 -6.001 -6.001 907 HA GLN 118 HA GLN 118 31.552 -5.932 -5.932 908 1HB GLN 118 HB2 GLN 118 31.237 -8.245 -8.245 909 2HB GLN 118 HB1 GLN 118 29.977 -7.187 -7.187 910 1HG GLN 118 HG2 GLN 118 28.733 -9.031 -9.031 911 2HG GLN 118 HG1 GLN 118 28.642 -7.947 -7.947 912 1HE2 GLN 118 HE21 GLN 118 31.065 -10.360 -10.360 913 2HE2 GLN 118 HE22 GLN 118 31.270 -11.111 -11.111 Start of MODEL 12 1 1H MET 1 HT3 MET 1 -12.024 -10.684 -10.684 2 2H MET 1 HT2 MET 1 -10.833 -11.063 -11.063 3 3H MET 1 HT1 MET 1 -12.293 -11.931 -11.931 4 HA MET 1 HA MET 1 -11.736 -13.107 -13.107 5 1HB MET 1 HB2 MET 1 -9.253 -13.719 -13.719 6 2HB MET 1 HB1 MET 1 -10.339 -13.973 -13.973 7 1HG MET 1 HG2 MET 1 -9.572 -12.030 -12.030 8 2HG MET 1 HG1 MET 1 -8.819 -11.388 -11.388 9 1HE MET 1 HE1 MET 1 -9.155 -14.153 -14.153 10 2HE MET 1 HE3 MET 1 -7.879 -13.422 -13.422 11 3HE MET 1 HE2 MET 1 -7.595 -14.955 -14.955 12 H CYS 2 HN CYS 2 -11.859 -10.379 -10.379 13 HA CYS 2 HA CYS 2 -10.918 -8.855 -8.855 14 1HB CYS 2 HB2 CYS 2 -10.428 -10.039 -10.039 15 2HB CYS 2 HB1 CYS 2 -11.991 -10.438 -10.438 16 HG CYS 2 HG CYS 2 -9.574 -12.354 -12.354 17 H ASP 3 HN ASP 3 -9.033 -8.482 -8.482 18 HA ASP 3 HA ASP 3 -6.549 -9.765 -9.765 19 1HB ASP 3 HB2 ASP 3 -7.279 -6.865 -6.865 20 2HB ASP 3 HB1 ASP 3 -5.602 -7.408 -7.408 21 H LYS 4 HN LYS 4 -8.122 -7.720 -7.720 22 HA LYS 4 HA LYS 4 -5.945 -6.857 -6.857 23 1HB LYS 4 HB2 LYS 4 -8.640 -7.789 -7.789 24 2HB LYS 4 HB1 LYS 4 -7.539 -6.664 -6.664 25 1HG LYS 4 HG2 LYS 4 -7.786 -5.118 -5.118 26 2HG LYS 4 HG1 LYS 4 -8.986 -6.220 -6.220 27 1HD LYS 4 HD2 LYS 4 -10.429 -5.921 -5.921 28 2HD LYS 4 HD1 LYS 4 -9.204 -4.939 -4.939 29 1HE LYS 4 HE2 LYS 4 -9.448 -3.166 -3.166 30 2HE LYS 4 HE1 LYS 4 -10.368 -4.181 -4.181 31 1HZ LYS 4 HZ1 LYS 4 -11.549 -4.056 -4.056 32 2HZ LYS 4 HZ3 LYS 4 -11.410 -2.521 -2.521 33 3HZ LYS 4 HZ2 LYS 4 -12.246 -3.756 -3.756 34 H GLU 5 HN GLU 5 -8.047 -9.603 -9.603 35 HA GLU 5 HA GLU 5 -6.475 -10.782 -10.782 36 1HB GLU 5 HB2 GLU 5 -8.758 -11.505 -11.505 37 2HB GLU 5 HB1 GLU 5 -7.639 -12.737 -12.737 38 1HG GLU 5 HG2 GLU 5 -8.595 -13.631 -13.631 39 2HG GLU 5 HG1 GLU 5 -6.981 -13.084 -13.084 40 H PHE 6 HN PHE 6 -5.845 -10.771 -10.771 41 HA PHE 6 HA PHE 6 -3.888 -12.918 -12.918 42 1HB PHE 6 HB2 PHE 6 -4.910 -12.500 -12.500 43 2HB PHE 6 HB1 PHE 6 -4.456 -10.798 -10.798 44 HD1 PHE 6 HD2 PHE 6 -2.659 -14.065 -14.065 45 HD2 PHE 6 HD1 PHE 6 -2.735 -10.270 -10.270 46 HE1 PHE 6 HE2 PHE 6 -0.503 -14.603 -14.603 47 HE2 PHE 6 HE1 PHE 6 -0.580 -10.812 -10.812 48 HZ PHE 6 HZ PHE 6 0.538 -12.977 -12.977 49 H MET 7 HN MET 7 -3.284 -9.486 -9.486 50 HA MET 7 HA MET 7 -0.529 -9.621 -9.621 51 1HB MET 7 HB2 MET 7 -0.431 -7.318 -7.318 52 2HB MET 7 HB1 MET 7 -1.829 -7.803 -7.803 53 1HG MET 7 HG2 MET 7 -3.262 -7.231 -7.231 54 2HG MET 7 HG1 MET 7 -1.823 -6.489 -6.489 55 1HE MET 7 HE2 MET 7 -3.946 -6.946 -6.946 56 2HE MET 7 HE1 MET 7 -4.942 -5.609 -5.609 57 3HE MET 7 HE3 MET 7 -3.981 -5.438 -5.438 58 H TRP 8 HN TRP 8 -3.384 -8.918 -8.918 59 HA TRP 8 HA TRP 8 -2.161 -7.764 -7.764 60 1HB TRP 8 HB2 TRP 8 -4.647 -8.091 -8.091 61 2HB TRP 8 HB1 TRP 8 -4.424 -9.778 -9.778 62 HD1 TRP 8 HD1 TRP 8 -4.393 -10.316 -10.316 63 HE1 TRP 8 HE1 TRP 8 -4.379 -8.917 -8.917 64 HE3 TRP 8 HE3 TRP 8 -3.714 -5.655 -5.655 65 HZ2 TRP 8 HZ2 TRP 8 -4.113 -6.179 -6.179 66 HZ3 TRP 8 HZ3 TRP 8 -3.585 -3.671 -3.671 67 HH2 TRP 8 HH2 TRP 8 -3.783 -3.927 -3.927 68 H ALA 9 HN ALA 9 -1.495 -10.750 -10.750 69 HA ALA 9 HA ALA 9 -0.881 -12.105 -12.105 70 1HB ALA 9 HB1 ALA 9 -1.759 -13.408 -13.408 71 2HB ALA 9 HB3 ALA 9 -0.357 -12.935 -12.935 72 3HB ALA 9 HB2 ALA 9 -0.149 -13.966 -13.966 73 H LEU 10 HN LEU 10 0.872 -10.864 -10.864 74 HA LEU 10 HA LEU 10 3.507 -11.336 -11.336 75 1HB LEU 10 HB2 LEU 10 2.507 -9.172 -9.172 76 2HB LEU 10 HB1 LEU 10 4.202 -9.579 -9.579 77 HG LEU 10 HG LEU 10 3.178 -12.048 -12.048 78 1HD1 LEU 10 HD12 LEU 10 1.639 -10.037 -10.037 79 2HD1 LEU 10 HD11 LEU 10 1.687 -11.775 -11.775 80 3HD1 LEU 10 HD13 LEU 10 0.938 -11.145 -11.145 81 1HD2 LEU 10 HD22 LEU 10 5.158 -10.905 -10.905 82 2HD2 LEU 10 HD21 LEU 10 4.168 -11.763 -11.763 83 3HD2 LEU 10 HD23 LEU 10 4.055 -10.011 -10.011 84 H LYS 11 HN LYS 11 1.061 -9.542 -9.542 85 HA LYS 11 HA LYS 11 2.602 -7.237 -7.237 86 1HB LYS 11 HB2 LYS 11 0.251 -7.003 -7.003 87 2HB LYS 11 HB1 LYS 11 -0.238 -8.129 -8.129 88 1HG LYS 11 HG2 LYS 11 -0.631 -5.890 -5.890 89 2HG LYS 11 HG1 LYS 11 0.743 -6.547 -6.547 90 1HD LYS 11 HD2 LYS 11 1.490 -5.173 -5.173 91 2HD LYS 11 HD1 LYS 11 0.727 -4.121 -4.121 92 1HE LYS 11 HE2 LYS 11 2.454 -4.352 -4.352 93 2HE LYS 11 HE1 LYS 11 2.842 -5.990 -5.990 94 1HZ LYS 11 HZ1 LYS 11 3.238 -4.071 -4.071 95 2HZ LYS 11 HZ3 LYS 11 4.176 -3.722 -3.722 96 3HZ LYS 11 HZ2 LYS 11 4.307 -5.239 -5.239 97 H ASN 12 HN ASN 12 0.385 -9.337 -9.337 98 HA ASN 12 HA ASN 12 2.017 -9.004 -9.004 99 1HB ASN 12 HB2 ASN 12 -0.515 -9.024 -9.024 100 2HB ASN 12 HB1 ASN 12 -0.411 -10.762 -10.762 101 1HD2 ASN 12 HD21 ASN 12 -0.395 -12.003 -12.003 102 2HD2 ASN 12 HD22 ASN 12 0.044 -11.442 -11.442 103 H GLY 13 HN GLY 13 2.585 -10.968 -10.968 104 1HA GLY 13 HA2 GLY 13 4.118 -12.770 -12.770 105 2HA GLY 13 HA1 GLY 13 3.985 -12.874 -12.874 106 H ASP 14 HN ASP 14 0.993 -12.844 -12.844 107 HA ASP 14 HA ASP 14 0.310 -15.457 -15.457 108 1HB ASP 14 HB2 ASP 14 -1.111 -14.226 -14.226 109 2HB ASP 14 HB1 ASP 14 -1.751 -15.156 -15.156 110 H LEU 15 HN LEU 15 2.628 -15.784 -15.784 111 HA LEU 15 HA LEU 15 3.074 -16.322 -16.322 112 1HB LEU 15 HB2 LEU 15 4.721 -16.567 -16.567 113 2HB LEU 15 HB1 LEU 15 3.887 -18.003 -18.003 114 HG LEU 15 HG LEU 15 5.975 -18.335 -18.335 115 1HD1 LEU 15 HD11 LEU 15 3.636 -19.844 -19.844 116 2HD1 LEU 15 HD13 LEU 15 3.970 -19.868 -19.868 117 3HD1 LEU 15 HD12 LEU 15 5.192 -20.416 -20.416 118 1HD2 LEU 15 HD23 LEU 15 5.126 -16.578 -16.578 119 2HD2 LEU 15 HD22 LEU 15 5.842 -18.051 -18.051 120 3HD2 LEU 15 HD21 LEU 15 4.092 -17.866 -17.866 121 H ASP 16 HN ASP 16 0.966 -18.064 -18.064 122 HA ASP 16 HA ASP 16 0.722 -20.458 -20.458 123 1HB ASP 16 HB2 ASP 16 -1.264 -19.132 -19.132 124 2HB ASP 16 HB1 ASP 16 -1.316 -20.807 -20.807 125 H GLU 17 HN GLU 17 -0.754 -17.285 -17.285 126 HA GLU 17 HA GLU 17 -2.867 -18.134 -18.134 127 1HB GLU 17 HB2 GLU 17 -1.886 -15.507 -15.507 128 2HB GLU 17 HB1 GLU 17 -3.013 -15.535 -15.535 129 1HG GLU 17 HG2 GLU 17 -4.599 -16.864 -16.864 130 2HG GLU 17 HG1 GLU 17 -3.463 -16.924 -16.924 131 H VAL 18 HN VAL 18 0.211 -16.331 -16.331 132 HA VAL 18 HA VAL 18 -0.136 -15.993 -15.993 133 HB VAL 18 HB VAL 18 2.612 -16.189 -16.189 134 1HG1 VAL 18 HG11 VAL 18 1.017 -14.216 -14.216 135 2HG1 VAL 18 HG13 VAL 18 1.255 -13.668 -13.668 136 3HG1 VAL 18 HG12 VAL 18 2.639 -13.870 -13.870 137 1HG2 VAL 18 HG23 VAL 18 1.987 -16.721 -16.721 138 2HG2 VAL 18 HG22 VAL 18 3.269 -15.563 -15.563 139 3HG2 VAL 18 HG21 VAL 18 1.667 -14.990 -14.990 140 H LYS 19 HN LYS 19 1.108 -18.532 -18.532 141 HA LYS 19 HA LYS 19 2.339 -20.145 -20.145 142 1HB LYS 19 HB2 LYS 19 2.498 -20.395 -20.395 143 2HB LYS 19 HB1 LYS 19 0.880 -21.089 -21.089 144 1HG LYS 19 HG2 LYS 19 1.572 -23.023 -23.023 145 2HG LYS 19 HG1 LYS 19 2.975 -22.241 -22.241 146 1HD LYS 19 HD2 LYS 19 2.808 -22.521 -22.521 147 2HD LYS 19 HD1 LYS 19 3.338 -23.885 -23.885 148 1HE LYS 19 HE2 LYS 19 4.600 -21.264 -21.264 149 2HE LYS 19 HE1 LYS 19 5.044 -22.001 -22.001 150 1HZ LYS 19 HZ3 LYS 19 5.001 -23.698 -23.698 151 2HZ LYS 19 HZ2 LYS 19 6.291 -22.606 -22.606 152 3HZ LYS 19 HZ1 LYS 19 5.999 -23.781 -23.781 153 H ASP 20 HN ASP 20 -1.010 -19.735 -19.735 154 HA ASP 20 HA ASP 20 -2.021 -22.102 -22.102 155 1HB ASP 20 HB2 ASP 20 -3.346 -20.750 -20.750 156 2HB ASP 20 HB1 ASP 20 -3.401 -19.435 -19.435 157 H TYR 21 HN TYR 21 -2.101 -18.732 -18.732 158 HA TYR 21 HA TYR 21 -2.955 -19.473 -19.473 159 1HB TYR 21 HB2 TYR 21 -1.397 -17.053 -17.053 160 2HB TYR 21 HB1 TYR 21 -2.087 -17.211 -17.211 161 HD1 TYR 21 HD1 TYR 21 -2.910 -17.086 -17.086 162 HD2 TYR 21 HD2 TYR 21 -4.429 -16.923 -16.923 163 HE1 TYR 21 HE1 TYR 21 -5.117 -16.359 -16.359 164 HE2 TYR 21 HE2 TYR 21 -6.636 -16.194 -16.194 165 HH TYR 21 HH TYR 21 -7.905 -16.004 -16.004 166 H VAL 22 HN VAL 22 0.307 -18.893 -18.893 167 HA VAL 22 HA VAL 22 1.632 -19.479 -19.479 168 HB VAL 22 HB VAL 22 2.631 -19.390 -19.390 169 1HG1 VAL 22 HG12 VAL 22 4.065 -19.833 -19.833 170 2HG1 VAL 22 HG11 VAL 22 4.891 -19.154 -19.154 171 3HG1 VAL 22 HG13 VAL 22 4.196 -20.774 -20.774 172 1HG2 VAL 22 HG22 VAL 22 1.804 -17.257 -17.257 173 2HG2 VAL 22 HG21 VAL 22 3.547 -17.222 -17.222 174 3HG2 VAL 22 HG23 VAL 22 2.912 -17.469 -17.469 175 H ALA 23 HN ALA 23 0.419 -21.444 -21.444 176 HA ALA 23 HA ALA 23 2.037 -23.751 -23.751 177 1HB ALA 23 HB3 ALA 23 -0.720 -23.289 -23.289 178 2HB ALA 23 HB2 ALA 23 -0.195 -24.942 -24.942 179 3HB ALA 23 HB1 ALA 23 0.707 -23.928 -23.928 180 H LYS 24 HN LYS 24 -0.353 -22.276 -22.276 181 HA LYS 24 HA LYS 24 -1.392 -24.470 -24.470 182 1HB LYS 24 HB2 LYS 24 -0.905 -21.578 -21.578 183 2HB LYS 24 HB1 LYS 24 -1.487 -22.684 -22.684 184 1HG LYS 24 HG2 LYS 24 -2.869 -22.652 -22.652 185 2HG LYS 24 HG1 LYS 24 -3.211 -21.362 -21.362 186 1HD LYS 24 HD2 LYS 24 -4.094 -22.838 -22.838 187 2HD LYS 24 HD1 LYS 24 -3.283 -24.236 -24.236 188 1HE LYS 24 HE2 LYS 24 -4.784 -24.303 -24.303 189 2HE LYS 24 HE1 LYS 24 -5.416 -22.696 -22.696 190 1HZ LYS 24 HZ3 LYS 24 -6.319 -23.566 -23.566 191 2HZ LYS 24 HZ2 LYS 24 -5.737 -25.116 -25.116 192 3HZ LYS 24 HZ1 LYS 24 -6.946 -24.399 -24.399 193 H GLY 25 HN GLY 25 0.901 -22.270 -22.270 194 1HA GLY 25 HA2 GLY 25 2.867 -24.350 -24.350 195 2HA GLY 25 HA1 GLY 25 1.903 -24.046 -24.046 196 H GLU 26 HN GLU 26 4.369 -22.817 -22.817 197 HA GLU 26 HA GLU 26 5.538 -20.736 -20.736 198 1HB GLU 26 HB2 GLU 26 6.762 -20.733 -20.733 199 2HB GLU 26 HB1 GLU 26 7.031 -22.062 -22.062 200 1HG GLU 26 HG2 GLU 26 4.883 -22.168 -22.168 201 2HG GLU 26 HG1 GLU 26 6.525 -22.704 -22.704 202 H ASP 27 HN ASP 27 3.383 -19.464 -19.464 203 HA ASP 27 HA ASP 27 3.057 -18.028 -18.028 204 1HB ASP 27 HB2 ASP 27 1.008 -19.114 -19.114 205 2HB ASP 27 HB1 ASP 27 1.176 -17.992 -17.992 206 H VAL 28 HN VAL 28 5.025 -17.707 -17.707 207 HA VAL 28 HA VAL 28 4.342 -15.118 -15.118 208 HB VAL 28 HB VAL 28 6.609 -15.195 -15.195 209 1HG1 VAL 28 HG12 VAL 28 5.000 -17.761 -17.761 210 2HG1 VAL 28 HG11 VAL 28 6.348 -17.438 -17.438 211 3HG1 VAL 28 HG13 VAL 28 4.919 -16.406 -16.406 212 1HG2 VAL 28 HG21 VAL 28 6.902 -17.426 -17.426 213 2HG2 VAL 28 HG23 VAL 28 8.031 -16.128 -16.128 214 3HG2 VAL 28 HG22 VAL 28 7.823 -17.475 -17.475 215 H ASN 29 HN ASN 29 3.938 -14.144 -14.144 216 HA ASN 29 HA ASN 29 6.117 -12.452 -12.452 217 1HB ASN 29 HB2 ASN 29 6.125 -13.345 -13.345 218 2HB ASN 29 HB1 ASN 29 7.066 -14.219 -14.219 219 1HD2 ASN 29 HD21 ASN 29 5.835 -16.113 -16.113 220 2HD2 ASN 29 HD22 ASN 29 4.765 -16.992 -16.992 221 H ARG 30 HN ARG 30 2.974 -12.907 -12.907 222 HA ARG 30 HA ARG 30 2.003 -11.494 -11.494 223 1HB ARG 30 HB2 ARG 30 -0.181 -11.582 -11.582 224 2HB ARG 30 HB1 ARG 30 0.373 -13.025 -13.025 225 1HG ARG 30 HG2 ARG 30 1.418 -13.892 -13.892 226 2HG ARG 30 HG1 ARG 30 1.243 -12.367 -12.367 227 1HD ARG 30 HD2 ARG 30 -1.073 -14.084 -14.084 228 2HD ARG 30 HD1 ARG 30 -0.454 -14.052 -14.052 229 HE ARG 30 HE ARG 30 -0.997 -11.392 -11.392 230 1HH1 ARG 30 HH21 ARG 30 -2.712 -14.381 -14.381 231 2HH1 ARG 30 HH22 ARG 30 -4.256 -13.665 -13.665 232 1HH2 ARG 30 HH11 ARG 30 -3.001 -10.444 -10.444 233 2HH2 ARG 30 HH12 ARG 30 -4.419 -11.436 -11.436 234 H THR 31 HN THR 31 1.415 -9.344 -9.344 235 HA THR 31 HA THR 31 2.661 -7.593 -7.593 236 HB THR 31 HB THR 31 0.093 -6.827 -6.827 237 HG1 THR 31 HG1 THR 31 1.375 -6.489 -6.489 238 1HG2 THR 31 HG23 THR 31 2.712 -5.396 -5.396 239 2HG2 THR 31 HG22 THR 31 1.298 -4.686 -4.686 240 3HG2 THR 31 HG21 THR 31 1.218 -5.183 -5.183 241 H LEU 32 HN LEU 32 2.090 -6.827 -6.827 242 HA LEU 32 HA LEU 32 -0.017 -8.195 -8.195 243 1HB LEU 32 HB2 LEU 32 2.298 -7.321 -7.321 244 2HB LEU 32 HB1 LEU 32 1.457 -5.798 -5.798 245 HG LEU 32 HG LEU 32 0.081 -8.221 -8.221 246 1HD1 LEU 32 HD11 LEU 32 2.772 -7.289 -7.289 247 2HD1 LEU 32 HD13 LEU 32 1.592 -7.916 -7.916 248 3HD1 LEU 32 HD12 LEU 32 2.155 -8.932 -8.932 249 1HD2 LEU 32 HD23 LEU 32 0.651 -5.427 -5.427 250 2HD2 LEU 32 HD22 LEU 32 -0.872 -6.016 -6.016 251 3HD2 LEU 32 HD21 LEU 32 -0.284 -6.641 -6.641 252 H GLU 33 HN GLU 33 0.262 -4.836 -4.836 253 HA GLU 33 HA GLU 33 -2.618 -4.529 -4.529 254 1HB GLU 33 HB2 GLU 33 -2.324 -2.400 -2.400 255 2HB GLU 33 HB1 GLU 33 -1.307 -3.586 -3.586 256 1HG GLU 33 HG2 GLU 33 0.586 -2.808 -2.808 257 2HG GLU 33 HG1 GLU 33 -0.457 -1.453 -1.453 258 H GLY 34 HN GLY 34 0.216 -3.278 -3.278 259 1HA GLY 34 HA2 GLY 34 -1.528 -2.609 -2.609 260 2HA GLY 34 HA1 GLY 34 -0.923 -1.177 -1.177 261 H GLY 35 HN GLY 35 1.652 -2.097 -2.097 262 1HA GLY 35 HA2 GLY 35 2.897 -2.956 -2.956 263 2HA GLY 35 HA1 GLY 35 3.310 -1.336 -1.336 264 H ARG 36 HN ARG 36 2.643 -3.559 -3.559 265 HA ARG 36 HA ARG 36 5.584 -3.906 -3.906 266 1HB ARG 36 HB2 ARG 36 3.486 -3.936 -3.936 267 2HB ARG 36 HB1 ARG 36 5.214 -3.619 -3.619 268 1HG ARG 36 HG2 ARG 36 3.233 -1.810 -1.810 269 2HG ARG 36 HG1 ARG 36 3.840 -1.550 -1.550 270 1HD ARG 36 HD2 ARG 36 6.157 -1.921 -1.921 271 2HD ARG 36 HD1 ARG 36 5.120 -0.968 -0.968 272 HE ARG 36 HE ARG 36 6.565 0.104 0.104 273 1HH1 ARG 36 HH21 ARG 36 3.241 -0.128 -0.128 274 2HH1 ARG 36 HH22 ARG 36 2.771 1.282 1.282 275 1HH2 ARG 36 HH11 ARG 36 5.963 1.933 1.933 276 2HH2 ARG 36 HH12 ARG 36 4.310 2.450 2.450 277 H LYS 37 HN LYS 37 6.144 -5.902 -5.902 278 HA LYS 37 HA LYS 37 4.164 -8.084 -8.084 279 1HB LYS 37 HB2 LYS 37 5.969 -9.594 -9.594 280 2HB LYS 37 HB1 LYS 37 6.100 -8.175 -8.175 281 1HG LYS 37 HG2 LYS 37 8.298 -8.362 -8.362 282 2HG LYS 37 HG1 LYS 37 7.671 -7.291 -7.291 283 1HD LYS 37 HD2 LYS 37 9.081 -9.252 -9.252 284 2HD LYS 37 HD1 LYS 37 7.519 -9.073 -9.073 285 1HE LYS 37 HE2 LYS 37 6.621 -10.939 -10.939 286 2HE LYS 37 HE1 LYS 37 7.757 -10.834 -10.834 287 1HZ LYS 37 HZ2 LYS 37 9.375 -11.203 -11.203 288 2HZ LYS 37 HZ1 LYS 37 8.027 -12.137 -12.137 289 3HZ LYS 37 HZ3 LYS 37 8.827 -12.445 -12.445 290 HA PRO 38 HA PRO 38 4.198 -8.938 -8.938 291 1HB PRO 38 HB2 PRO 38 4.428 -11.815 -11.815 292 2HB PRO 38 HB1 PRO 38 2.997 -10.846 -10.846 293 1HG PRO 38 HG2 PRO 38 3.618 -12.167 -12.167 294 2HG PRO 38 HG1 PRO 38 2.212 -11.157 -11.157 295 1HD PRO 38 HD2 PRO 38 4.465 -10.515 -10.515 296 2HD PRO 38 HD1 PRO 38 3.045 -9.515 -9.515 297 H LEU 39 HN LEU 39 6.774 -8.138 -8.138 298 HA LEU 39 HA LEU 39 8.229 -10.133 -10.133 299 1HB LEU 39 HB2 LEU 39 8.988 -10.351 -10.351 300 2HB LEU 39 HB1 LEU 39 9.568 -8.690 -8.690 301 HG LEU 39 HG LEU 39 11.359 -9.249 -9.249 302 1HD1 LEU 39 HD13 LEU 39 9.771 -11.621 -11.621 303 2HD1 LEU 39 HD12 LEU 39 11.435 -11.272 -11.272 304 3HD1 LEU 39 HD11 LEU 39 10.156 -10.148 -10.148 305 1HD2 LEU 39 HD21 LEU 39 11.438 -10.600 -10.600 306 2HD2 LEU 39 HD23 LEU 39 12.397 -11.267 -11.267 307 3HD2 LEU 39 HD22 LEU 39 10.832 -11.973 -11.973 308 H HIS 40 HN HIS 40 7.723 -6.823 -6.823 309 HA HIS 40 HA HIS 40 9.713 -5.684 -5.684 310 1HB HIS 40 HB2 HIS 40 8.912 -4.439 -4.439 311 2HB HIS 40 HB1 HIS 40 7.275 -4.440 -4.440 312 HD1 HIS 40 HD1 HIS 40 10.260 -2.426 -2.426 313 HD2 HIS 40 HD2 HIS 40 7.243 -3.083 -3.083 314 HE1 HIS 40 HE1 HIS 40 10.371 -0.498 -0.498 315 H TYR 41 HN TYR 41 6.227 -6.311 -6.311 316 HA TYR 41 HA TYR 41 5.818 -5.085 -5.085 317 1HB TYR 41 HB2 TYR 41 4.224 -7.411 -7.411 318 2HB TYR 41 HB1 TYR 41 3.665 -6.091 -6.091 319 HD1 TYR 41 HD1 TYR 41 4.890 -6.930 -6.930 320 HD2 TYR 41 HD2 TYR 41 2.982 -4.004 -4.004 321 HE1 TYR 41 HE1 TYR 41 4.338 -5.581 -5.581 322 HE2 TYR 41 HE2 TYR 41 2.425 -2.661 -2.661 323 HH TYR 41 HH TYR 41 3.447 -2.421 -2.421 324 H ALA 42 HN ALA 42 6.568 -8.363 -8.363 325 HA ALA 42 HA ALA 42 6.594 -9.566 -9.566 326 1HB ALA 42 HB1 ALA 42 7.308 -10.343 -10.343 327 2HB ALA 42 HB3 ALA 42 8.286 -11.119 -11.119 328 3HB ALA 42 HB2 ALA 42 6.535 -11.294 -11.294 329 H ALA 43 HN ALA 43 9.193 -8.508 -8.508 330 HA ALA 43 HA ALA 43 11.332 -8.930 -8.930 331 1HB ALA 43 HB2 ALA 43 11.006 -6.781 -6.781 332 2HB ALA 43 HB1 ALA 43 12.532 -7.201 -7.201 333 3HB ALA 43 HB3 ALA 43 11.711 -8.378 -8.378 334 H ASP 44 HN ASP 44 9.505 -5.951 -5.951 335 HA ASP 44 HA ASP 44 10.625 -4.304 -4.304 336 1HB ASP 44 HB2 ASP 44 9.079 -3.501 -3.501 337 2HB ASP 44 HB1 ASP 44 7.752 -4.360 -4.360 338 H CYS 45 HN CYS 45 8.016 -6.704 -6.704 339 HA CYS 45 HA CYS 45 8.516 -6.767 -6.767 340 1HB CYS 45 HB2 CYS 45 6.041 -5.478 -5.478 341 2HB CYS 45 HB1 CYS 45 6.024 -6.223 -6.223 342 HG CYS 45 HG CYS 45 7.544 -4.416 -4.416 343 H GLY 46 HN GLY 46 8.834 -8.928 -8.928 344 1HA GLY 46 HA2 GLY 46 6.237 -10.437 -10.437 345 2HA GLY 46 HA1 GLY 46 7.572 -10.836 -10.836 346 H GLN 47 HN GLN 47 7.854 -10.004 -10.004 347 HA GLN 47 HA GLN 47 8.948 -11.228 -11.228 348 1HB GLN 47 HB2 GLN 47 7.127 -13.227 -13.227 349 2HB GLN 47 HB1 GLN 47 8.151 -13.703 -13.703 350 1HG GLN 47 HG2 GLN 47 5.773 -12.910 -12.910 351 2HG GLN 47 HG1 GLN 47 7.088 -12.193 -12.193 352 1HE2 GLN 47 HE21 GLN 47 4.318 -11.405 -11.405 353 2HE2 GLN 47 HE22 GLN 47 4.687 -9.786 -9.786 354 H LEU 48 HN LEU 48 9.938 -11.153 -11.153 355 HA LEU 48 HA LEU 48 11.818 -11.832 -11.832 356 1HB LEU 48 HB2 LEU 48 12.552 -12.855 -12.855 357 2HB LEU 48 HB1 LEU 48 13.642 -12.850 -12.850 358 HG LEU 48 HG LEU 48 14.226 -10.763 -10.763 359 1HD1 LEU 48 HD13 LEU 48 11.360 -10.005 -10.005 360 2HD1 LEU 48 HD12 LEU 48 12.703 -8.884 -8.884 361 3HD1 LEU 48 HD11 LEU 48 12.692 -10.057 -10.057 362 1HD2 LEU 48 HD21 LEU 48 11.855 -10.855 -10.855 363 2HD2 LEU 48 HD23 LEU 48 13.558 -11.066 -11.066 364 3HD2 LEU 48 HD22 LEU 48 12.959 -9.482 -9.482 365 H GLU 49 HN GLU 49 9.580 -13.912 -13.912 366 HA GLU 49 HA GLU 49 10.981 -16.317 -16.317 367 1HB GLU 49 HB2 GLU 49 8.651 -17.363 -17.363 368 2HB GLU 49 HB1 GLU 49 9.785 -16.964 -16.964 369 1HG GLU 49 HG2 GLU 49 8.666 -14.850 -14.850 370 2HG GLU 49 HG1 GLU 49 7.582 -15.124 -15.124 371 H ILE 50 HN ILE 50 8.240 -14.203 -14.203 372 HA ILE 50 HA ILE 50 7.175 -15.654 -15.654 373 HB ILE 50 HB ILE 50 7.093 -12.662 -12.662 374 1HG1 ILE 50 HG12 ILE 50 6.099 -14.764 -14.764 375 2HG1 ILE 50 HG11 ILE 50 6.093 -13.027 -13.027 376 1HG2 ILE 50 HG21 ILE 50 5.214 -14.664 -14.664 377 2HG2 ILE 50 HG23 ILE 50 4.898 -12.935 -12.935 378 3HG2 ILE 50 HG22 ILE 50 6.234 -13.513 -13.513 379 1HD1 ILE 50 HD11 ILE 50 4.056 -14.229 -14.229 380 2HD1 ILE 50 HD13 ILE 50 3.830 -14.387 -14.387 381 3HD1 ILE 50 HD12 ILE 50 3.944 -12.792 -12.792 382 H LEU 51 HN LEU 51 9.653 -13.113 -13.113 383 HA LEU 51 HA LEU 51 9.746 -12.818 -12.818 384 1HB LEU 51 HB2 LEU 51 12.343 -12.332 -12.332 385 2HB LEU 51 HB1 LEU 51 11.065 -11.135 -11.135 386 HG LEU 51 HG LEU 51 12.443 -11.127 -11.127 387 1HD1 LEU 51 HD11 LEU 51 9.656 -11.311 -11.311 388 2HD1 LEU 51 HD13 LEU 51 10.184 -12.288 -12.288 389 3HD1 LEU 51 HD12 LEU 51 10.682 -10.605 -10.605 390 1HD2 LEU 51 HD21 LEU 51 12.936 -13.666 -13.666 391 2HD2 LEU 51 HD23 LEU 51 12.909 -12.968 -12.968 392 3HD2 LEU 51 HD22 LEU 51 11.514 -13.876 -13.876 393 H GLU 52 HN GLU 52 11.740 -14.870 -14.870 394 HA GLU 52 HA GLU 52 13.196 -16.166 -16.166 395 1HB GLU 52 HB2 GLU 52 12.596 -16.623 -16.623 396 2HB GLU 52 HB1 GLU 52 12.840 -18.122 -18.122 397 1HG GLU 52 HG2 GLU 52 14.796 -15.857 -15.857 398 2HG GLU 52 HG1 GLU 52 14.908 -16.904 -16.904 399 H PHE 53 HN PHE 53 9.943 -16.787 -16.787 400 HA PHE 53 HA PHE 53 9.564 -19.369 -19.369 401 1HB PHE 53 HB2 PHE 53 7.961 -18.583 -18.583 402 2HB PHE 53 HB1 PHE 53 7.611 -17.153 -17.153 403 HD1 PHE 53 HD1 PHE 53 7.827 -20.850 -20.850 404 HD2 PHE 53 HD2 PHE 53 5.547 -17.235 -17.235 405 HE1 PHE 53 HE1 PHE 53 6.099 -22.093 -22.093 406 HE2 PHE 53 HE2 PHE 53 3.818 -18.480 -18.480 407 HZ PHE 53 HZ PHE 53 4.099 -20.911 -20.911 408 H LEU 54 HN LEU 54 7.855 -16.566 -16.566 409 HA LEU 54 HA LEU 54 7.351 -17.887 -17.887 410 1HB LEU 54 HB2 LEU 54 7.394 -15.213 -15.213 411 2HB LEU 54 HB1 LEU 54 6.003 -16.081 -16.081 412 HG LEU 54 HG LEU 54 6.676 -15.427 -15.427 413 1HD1 LEU 54 HD11 LEU 54 8.818 -14.015 -14.015 414 2HD1 LEU 54 HD13 LEU 54 8.280 -13.382 -13.382 415 3HD1 LEU 54 HD12 LEU 54 8.989 -14.990 -14.990 416 1HD2 LEU 54 HD22 LEU 54 6.196 -13.280 -13.280 417 2HD2 LEU 54 HD21 LEU 54 4.983 -14.134 -14.134 418 3HD2 LEU 54 HD23 LEU 54 6.081 -12.996 -12.996 419 H LEU 55 HN LEU 55 10.164 -16.152 -16.152 420 HA LEU 55 HA LEU 55 11.396 -15.878 -15.878 421 1HB LEU 55 HB2 LEU 55 12.028 -14.788 -14.788 422 2HB LEU 55 HB1 LEU 55 12.971 -16.257 -16.257 423 HG LEU 55 HG LEU 55 13.216 -14.359 -14.359 424 1HD1 LEU 55 HD11 LEU 55 14.680 -14.660 -14.660 425 2HD1 LEU 55 HD13 LEU 55 15.593 -14.177 -14.177 426 3HD1 LEU 55 HD12 LEU 55 14.239 -13.195 -13.195 427 1HD2 LEU 55 HD23 LEU 55 14.420 -17.027 -17.027 428 2HD2 LEU 55 HD22 LEU 55 13.958 -16.363 -16.363 429 3HD2 LEU 55 HD21 LEU 55 15.446 -15.830 -15.830 430 H LEU 56 HN LEU 56 11.150 -18.343 -18.343 431 HA LEU 56 HA LEU 56 13.091 -20.200 -20.200 432 1HB LEU 56 HB2 LEU 56 11.208 -20.147 -20.147 433 2HB LEU 56 HB1 LEU 56 10.419 -21.238 -21.238 434 HG LEU 56 HG LEU 56 11.698 -22.587 -22.587 435 1HD1 LEU 56 HD11 LEU 56 11.857 -22.947 -22.947 436 2HD1 LEU 56 HD13 LEU 56 13.535 -22.443 -22.443 437 3HD1 LEU 56 HD12 LEU 56 12.926 -23.858 -23.858 438 1HD2 LEU 56 HD21 LEU 56 13.262 -20.504 -20.504 439 2HD2 LEU 56 HD23 LEU 56 13.859 -22.146 -22.146 440 3HD2 LEU 56 HD22 LEU 56 14.286 -21.249 -21.249 441 H LYS 57 HN LYS 57 9.706 -19.837 -19.837 442 HA LYS 57 HA LYS 57 9.692 -21.848 -21.848 443 1HB LYS 57 HB2 LYS 57 7.991 -19.383 -19.383 444 2HB LYS 57 HB1 LYS 57 7.666 -20.531 -20.531 445 1HG LYS 57 HG2 LYS 57 8.017 -21.571 -21.571 446 2HG LYS 57 HG1 LYS 57 6.488 -20.811 -20.811 447 1HD LYS 57 HD2 LYS 57 5.916 -22.478 -22.478 448 2HD LYS 57 HD1 LYS 57 7.592 -22.839 -22.839 449 1HE LYS 57 HE2 LYS 57 6.562 -24.673 -24.673 450 2HE LYS 57 HE1 LYS 57 7.908 -23.936 -23.936 451 1HZ LYS 57 HZ1 LYS 57 5.419 -22.626 -22.626 452 2HZ LYS 57 HZ3 LYS 57 5.372 -24.266 -24.266 453 3HZ LYS 57 HZ2 LYS 57 6.559 -23.249 -23.249 454 H GLY 58 HN GLY 58 8.697 -18.887 -18.887 455 1HA GLY 58 HA2 GLY 58 10.570 -19.030 -19.030 456 2HA GLY 58 HA1 GLY 58 9.523 -17.650 -17.650 457 H ALA 59 HN ALA 59 10.892 -15.881 -15.881 458 HA ALA 59 HA ALA 59 12.562 -15.469 -15.469 459 1HB ALA 59 HB1 ALA 59 14.028 -16.499 -16.499 460 2HB ALA 59 HB3 ALA 59 14.824 -15.554 -15.554 461 3HB ALA 59 HB2 ALA 59 14.100 -17.110 -17.110 462 H ASP 60 HN ASP 60 11.215 -13.544 -13.544 463 HA ASP 60 HA ASP 60 11.942 -11.796 -11.796 464 1HB ASP 60 HB2 ASP 60 9.693 -11.878 -11.878 465 2HB ASP 60 HB1 ASP 60 10.531 -10.914 -10.914 466 H ILE 61 HN ILE 61 13.610 -12.840 -12.840 467 HA ILE 61 HA ILE 61 14.643 -10.716 -10.716 468 HB ILE 61 HB ILE 61 15.197 -13.141 -13.141 469 1HG1 ILE 61 HG12 ILE 61 17.517 -11.205 -11.205 470 2HG1 ILE 61 HG11 ILE 61 16.612 -11.565 -11.565 471 1HG2 ILE 61 HG23 ILE 61 15.573 -13.429 -13.429 472 2HG2 ILE 61 HG22 ILE 61 17.156 -12.695 -12.695 473 3HG2 ILE 61 HG21 ILE 61 16.754 -14.215 -14.215 474 1HD1 ILE 61 HD12 ILE 61 17.452 -14.079 -14.079 475 2HD1 ILE 61 HD11 ILE 61 18.812 -13.063 -13.063 476 3HD1 ILE 61 HD13 ILE 61 18.261 -13.076 -13.076 477 H ASN 62 HN ASN 62 15.081 -11.401 -11.401 478 HA ASN 62 HA ASN 62 16.913 -9.064 -9.064 479 1HB ASN 62 HB2 ASN 62 18.251 -10.318 -10.318 480 2HB ASN 62 HB1 ASN 62 18.274 -11.121 -11.121 481 1HD2 ASN 62 HD21 ASN 62 15.737 -12.382 -12.382 482 2HD2 ASN 62 HD22 ASN 62 15.706 -13.537 -13.537 483 H ALA 63 HN ALA 63 14.806 -11.322 -11.322 484 HA ALA 63 HA ALA 63 14.376 -10.660 -10.660 485 1HB ALA 63 HB3 ALA 63 12.767 -11.873 -11.873 486 2HB ALA 63 HB2 ALA 63 11.975 -10.311 -10.311 487 3HB ALA 63 HB1 ALA 63 12.076 -11.085 -11.085 488 HA PRO 64 HA PRO 64 11.908 -6.375 -6.375 489 1HB PRO 64 HB2 PRO 64 14.560 -5.667 -5.667 490 2HB PRO 64 HB1 PRO 64 12.934 -5.137 -5.137 491 1HG PRO 64 HG2 PRO 64 14.366 -7.261 -7.261 492 2HG PRO 64 HG1 PRO 64 12.636 -6.947 -6.947 493 1HD PRO 64 HD2 PRO 64 13.760 -9.214 -9.214 494 2HD PRO 64 HD1 PRO 64 12.069 -8.701 -8.701 495 H ASP 65 HN ASP 65 11.811 -5.062 -5.062 496 HA ASP 65 HA ASP 65 14.209 -4.290 -4.290 497 1HB ASP 65 HB2 ASP 65 11.680 -5.612 -5.612 498 2HB ASP 65 HB1 ASP 65 12.608 -4.546 -4.546 499 H LYS 66 HN LYS 66 10.765 -3.899 -3.899 500 HA LYS 66 HA LYS 66 10.696 -1.127 -1.127 501 1HB LYS 66 HB2 LYS 66 8.817 -2.947 -2.947 502 2HB LYS 66 HB1 LYS 66 8.550 -2.492 -2.492 503 1HG LYS 66 HG2 LYS 66 8.625 -0.494 -0.494 504 2HG LYS 66 HG1 LYS 66 7.155 -1.249 -1.249 505 1HD LYS 66 HD2 LYS 66 8.181 -0.378 -0.378 506 2HD LYS 66 HD1 LYS 66 8.838 0.841 0.841 507 1HE LYS 66 HE2 LYS 66 5.957 0.195 0.195 508 2HE LYS 66 HE1 LYS 66 6.769 1.761 1.761 509 1HZ LYS 66 HZ1 LYS 66 7.155 1.145 1.145 510 2HZ LYS 66 HZ3 LYS 66 5.740 0.242 0.242 511 3HZ LYS 66 HZ2 LYS 66 5.736 1.918 1.918 512 H HIS 67 HN HIS 67 10.891 -2.943 -2.943 513 HA HIS 67 HA HIS 67 10.495 -0.653 -0.653 514 1HB HIS 67 HB2 HIS 67 11.734 -3.290 -3.290 515 2HB HIS 67 HB1 HIS 67 10.718 -2.235 -2.235 516 HD1 HIS 67 HD1 HIS 67 10.576 -5.015 -5.015 517 HD2 HIS 67 HD2 HIS 67 7.905 -2.280 -2.280 518 HE1 HIS 67 HE1 HIS 67 8.252 -5.872 -5.872 519 H HIS 68 HN HIS 68 12.932 -1.544 -1.544 520 HA HIS 68 HA HIS 68 15.289 -1.297 -1.297 521 1HB HIS 68 HB2 HIS 68 14.377 1.279 1.279 522 2HB HIS 68 HB1 HIS 68 15.904 1.031 1.031 523 HD1 HIS 68 HD1 HIS 68 15.558 0.158 0.158 524 HD2 HIS 68 HD2 HIS 68 12.358 2.151 2.151 525 HE1 HIS 68 HE1 HIS 68 14.054 0.918 0.918 526 H ILE 69 HN ILE 69 14.156 -2.532 -2.532 527 HA ILE 69 HA ILE 69 16.628 -2.246 -2.246 528 HB ILE 69 HB ILE 69 14.533 -0.495 -0.495 529 1HG1 ILE 69 HG12 ILE 69 16.919 -0.182 -0.182 530 2HG1 ILE 69 HG11 ILE 69 15.934 0.080 0.080 531 1HG2 ILE 69 HG21 ILE 69 13.305 -2.396 -2.396 532 2HG2 ILE 69 HG23 ILE 69 14.663 -2.646 -2.646 533 3HG2 ILE 69 HG22 ILE 69 13.738 -1.150 -1.150 534 1HD1 ILE 69 HD13 ILE 69 16.405 -2.502 -2.502 535 2HD1 ILE 69 HD12 ILE 69 17.789 -2.188 -2.188 536 3HD1 ILE 69 HD11 ILE 69 17.600 -1.302 -1.302 537 H THR 70 HN THR 70 16.882 -3.809 -3.809 538 HA THR 70 HA THR 70 15.019 -6.102 -6.102 539 HB THR 70 HB THR 70 17.116 -6.941 -6.941 540 HG1 THR 70 HG1 THR 70 17.593 -8.178 -8.178 541 1HG2 THR 70 HG23 THR 70 18.175 -4.855 -4.855 542 2HG2 THR 70 HG22 THR 70 19.195 -6.089 -6.089 543 3HG2 THR 70 HG21 THR 70 18.377 -4.912 -4.912 544 HA PRO 71 HA PRO 71 13.532 -5.385 -5.385 545 1HB PRO 71 HB2 PRO 71 13.607 -8.143 -8.143 546 2HB PRO 71 HB1 PRO 71 12.224 -7.182 -7.182 547 1HG PRO 71 HG2 PRO 71 13.366 -9.322 -9.322 548 2HG PRO 71 HG1 PRO 71 12.297 -8.093 -8.093 549 1HD PRO 71 HD2 PRO 71 15.253 -8.349 -8.349 550 2HD PRO 71 HD1 PRO 71 14.098 -7.553 -7.553 551 H LEU 72 HN LEU 72 16.729 -6.940 -6.940 552 HA LEU 72 HA LEU 72 17.048 -7.165 -7.165 553 1HB LEU 72 HB2 LEU 72 19.467 -6.049 -6.049 554 2HB LEU 72 HB1 LEU 72 19.271 -7.487 -7.487 555 HG LEU 72 HG LEU 72 19.950 -8.334 -8.334 556 1HD1 LEU 72 HD12 LEU 72 16.988 -8.499 -8.499 557 2HD1 LEU 72 HD11 LEU 72 17.697 -9.089 -9.089 558 3HD1 LEU 72 HD13 LEU 72 18.206 -9.756 -9.756 559 1HD2 LEU 72 HD23 LEU 72 18.150 -6.279 -6.279 560 2HD2 LEU 72 HD22 LEU 72 19.910 -6.305 -6.305 561 3HD2 LEU 72 HD21 LEU 72 19.024 -7.532 -7.532 562 H LEU 73 HN LEU 73 17.388 -4.335 -4.335 563 HA LEU 73 HA LEU 73 18.224 -2.633 -2.633 564 1HB LEU 73 HB2 LEU 73 16.948 -1.830 -1.830 565 2HB LEU 73 HB1 LEU 73 17.801 -0.764 -0.764 566 HG LEU 73 HG LEU 73 19.760 -2.513 -2.513 567 1HD1 LEU 73 HD12 LEU 73 17.836 -3.421 -3.421 568 2HD1 LEU 73 HD11 LEU 73 19.338 -2.927 -2.927 569 3HD1 LEU 73 HD13 LEU 73 19.367 -4.143 -4.143 570 1HD2 LEU 73 HD22 LEU 73 18.956 -0.289 -0.289 571 2HD2 LEU 73 HD21 LEU 73 20.227 -0.312 -0.312 572 3HD2 LEU 73 HD23 LEU 73 20.435 -1.196 -1.196 573 H SER 74 HN SER 74 15.156 -3.802 -3.802 574 HA SER 74 HA SER 74 13.452 -1.810 -1.810 575 1HB SER 74 HB2 SER 74 12.680 -3.734 -3.734 576 2HB SER 74 HB1 SER 74 12.975 -4.802 -4.802 577 HG SER 74 HG SER 74 11.547 -2.849 -2.849 578 H ALA 75 HN ALA 75 14.861 -4.694 -4.694 579 HA ALA 75 HA ALA 75 13.752 -4.149 -4.149 580 1HB ALA 75 HB2 ALA 75 15.968 -5.942 -5.942 581 2HB ALA 75 HB1 ALA 75 15.546 -5.827 -5.827 582 3HB ALA 75 HB3 ALA 75 14.356 -6.410 -6.410 583 H VAL 76 HN VAL 76 16.767 -3.365 -3.365 584 HA VAL 76 HA VAL 76 18.417 -2.568 -2.568 585 HB VAL 76 HB VAL 76 17.901 -1.327 -1.327 586 1HG1 VAL 76 HG12 VAL 76 18.881 0.285 0.285 587 2HG1 VAL 76 HG11 VAL 76 20.354 -0.614 -0.614 588 3HG1 VAL 76 HG13 VAL 76 19.543 0.272 0.272 589 1HG2 VAL 76 HG23 VAL 76 18.960 -3.569 -3.569 590 2HG2 VAL 76 HG22 VAL 76 20.063 -2.365 -2.365 591 3HG2 VAL 76 HG21 VAL 76 20.228 -2.881 -2.881 592 H TYR 77 HN TYR 77 16.317 -0.113 -0.113 593 HA TYR 77 HA TYR 77 16.451 1.577 1.577 594 1HB TYR 77 HB2 TYR 77 14.296 2.145 2.145 595 2HB TYR 77 HB1 TYR 77 15.551 3.208 3.208 596 HD1 TYR 77 HD1 TYR 77 14.740 0.651 0.651 597 HD2 TYR 77 HD2 TYR 77 17.689 3.430 3.430 598 HE1 TYR 77 HE1 TYR 77 16.009 0.379 0.379 599 HE2 TYR 77 HE2 TYR 77 18.963 3.156 3.156 600 HH TYR 77 HH TYR 77 18.406 2.477 2.477 601 H GLU 78 HN GLU 78 15.534 -0.816 -0.816 602 HA GLU 78 HA GLU 78 12.642 -0.249 -0.249 603 1HB GLU 78 HB2 GLU 78 13.247 -2.238 -2.238 604 2HB GLU 78 HB1 GLU 78 13.716 -3.064 -3.064 605 1HG GLU 78 HG2 GLU 78 11.000 -2.161 -2.161 606 2HG GLU 78 HG1 GLU 78 11.495 -3.689 -3.689 607 H GLY 79 HN GLY 79 15.722 -1.560 -1.560 608 1HA GLY 79 HA2 GLY 79 16.503 -1.379 -1.379 609 2HA GLY 79 HA1 GLY 79 14.828 -1.179 -1.179 610 H HIS 80 HN HIS 80 14.588 -3.479 -3.479 611 HA HIS 80 HA HIS 80 14.481 -5.634 -5.634 612 1HB HIS 80 HB2 HIS 80 13.584 -5.206 -5.206 613 2HB HIS 80 HB1 HIS 80 13.922 -6.874 -6.874 614 HD1 HIS 80 HD1 HIS 80 11.504 -7.685 -7.685 615 HD2 HIS 80 HD2 HIS 80 12.256 -4.264 -4.264 616 HE1 HIS 80 HE1 HIS 80 9.476 -7.343 -7.343 617 H VAL 81 HN VAL 81 16.078 -5.156 -5.156 618 HA VAL 81 HA VAL 81 17.909 -6.337 -6.337 619 HB VAL 81 HB VAL 81 19.958 -5.898 -5.898 620 1HG1 VAL 81 HG12 VAL 81 18.289 -3.999 -3.999 621 2HG1 VAL 81 HG11 VAL 81 19.671 -3.370 -3.370 622 3HG1 VAL 81 HG13 VAL 81 19.907 -4.619 -4.619 623 1HG2 VAL 81 HG22 VAL 81 18.488 -5.398 -5.398 624 2HG2 VAL 81 HG21 VAL 81 19.483 -4.014 -4.014 625 3HG2 VAL 81 HG23 VAL 81 17.781 -4.054 -4.054 626 H SER 82 HN SER 82 16.230 -7.870 -7.870 627 HA SER 82 HA SER 82 18.222 -9.850 -9.850 628 1HB SER 82 HB2 SER 82 15.295 -9.398 -9.398 629 2HB SER 82 HB1 SER 82 15.852 -11.068 -11.068 630 HG SER 82 HG SER 82 15.882 -9.621 -9.621 631 H CYS 83 HN CYS 83 16.008 -9.227 -9.227 632 HA CYS 83 HA CYS 83 16.078 -11.927 -11.927 633 1HB CYS 83 HB2 CYS 83 15.117 -10.407 -10.407 634 2HB CYS 83 HB1 CYS 83 14.115 -10.905 -10.905 635 HG CYS 83 HG CYS 83 14.825 -8.066 -8.066 636 H VAL 84 HN VAL 84 17.456 -8.731 -8.731 637 HA VAL 84 HA VAL 84 18.838 -9.176 -9.176 638 HB VAL 84 HB VAL 84 20.591 -7.676 -7.676 639 1HG1 VAL 84 HG12 VAL 84 17.736 -7.047 -7.047 640 2HG1 VAL 84 HG11 VAL 84 19.016 -5.850 -5.850 641 3HG1 VAL 84 HG13 VAL 84 18.643 -6.517 -6.517 642 1HG2 VAL 84 HG21 VAL 84 19.388 -8.500 -8.500 643 2HG2 VAL 84 HG23 VAL 84 21.087 -8.349 -8.349 644 3HG2 VAL 84 HG22 VAL 84 20.114 -6.905 -6.905 645 H LYS 85 HN LYS 85 19.892 -10.211 -10.211 646 HA LYS 85 HA LYS 85 22.362 -11.339 -11.339 647 1HB LYS 85 HB2 LYS 85 20.927 -11.106 -11.106 648 2HB LYS 85 HB1 LYS 85 20.717 -12.827 -12.827 649 1HG LYS 85 HG2 LYS 85 23.107 -13.187 -13.187 650 2HG LYS 85 HG1 LYS 85 23.419 -11.451 -11.451 651 1HD LYS 85 HD2 LYS 85 22.176 -11.373 -11.373 652 2HD LYS 85 HD1 LYS 85 22.222 -13.136 -13.136 653 1HE LYS 85 HE2 LYS 85 24.781 -12.838 -12.838 654 2HE LYS 85 HE1 LYS 85 24.514 -11.193 -11.193 655 1HZ LYS 85 HZ3 LYS 85 23.229 -13.193 -13.193 656 2HZ LYS 85 HZ2 LYS 85 24.918 -13.368 -13.368 657 3HZ LYS 85 HZ1 LYS 85 24.227 -11.904 -11.904 658 H LEU 86 HN LEU 86 19.646 -13.543 -13.543 659 HA LEU 86 HA LEU 86 20.758 -15.595 -15.595 660 1HB LEU 86 HB2 LEU 86 18.616 -16.796 -16.796 661 2HB LEU 86 HB1 LEU 86 19.243 -16.214 -16.214 662 HG LEU 86 HG LEU 86 16.822 -15.885 -15.885 663 1HD1 LEU 86 HD11 LEU 86 18.497 -14.224 -14.224 664 2HD1 LEU 86 HD13 LEU 86 17.976 -13.132 -13.132 665 3HD1 LEU 86 HD12 LEU 86 16.797 -13.795 -13.795 666 1HD2 LEU 86 HD22 LEU 86 17.037 -15.460 -15.460 667 2HD2 LEU 86 HD21 LEU 86 15.775 -14.640 -14.640 668 3HD2 LEU 86 HD23 LEU 86 17.248 -13.777 -13.777 669 H LEU 87 HN LEU 87 19.512 -12.761 -12.761 670 HA LEU 87 HA LEU 87 17.918 -13.694 -13.694 671 1HB LEU 87 HB2 LEU 87 18.619 -11.197 -11.197 672 2HB LEU 87 HB1 LEU 87 19.352 -11.199 -11.199 673 HG LEU 87 HG LEU 87 16.461 -11.863 -11.863 674 1HD1 LEU 87 HD13 LEU 87 17.845 -9.336 -9.336 675 2HD1 LEU 87 HD12 LEU 87 16.161 -9.638 -9.638 676 3HD1 LEU 87 HD11 LEU 87 16.639 -9.544 -9.544 677 1HD2 LEU 87 HD21 LEU 87 18.171 -11.911 -11.911 678 2HD2 LEU 87 HD23 LEU 87 16.793 -12.924 -12.924 679 3HD2 LEU 87 HD22 LEU 87 16.529 -11.294 -11.294 680 H LEU 88 HN LEU 88 21.258 -13.348 -13.348 681 HA LEU 88 HA LEU 88 22.158 -13.610 -13.610 682 1HB LEU 88 HB2 LEU 88 23.885 -14.135 -14.135 683 2HB LEU 88 HB1 LEU 88 24.350 -13.448 -13.448 684 HG LEU 88 HG LEU 88 22.360 -11.976 -11.976 685 1HD1 LEU 88 HD11 LEU 88 25.363 -11.946 -11.946 686 2HD1 LEU 88 HD13 LEU 88 24.256 -10.794 -10.794 687 3HD1 LEU 88 HD12 LEU 88 24.189 -12.493 -12.493 688 1HD2 LEU 88 HD23 LEU 88 22.930 -11.291 -11.291 689 2HD2 LEU 88 HD22 LEU 88 23.274 -10.055 -10.055 690 3HD2 LEU 88 HD21 LEU 88 24.585 -11.024 -11.024 691 H SER 89 HN SER 89 21.336 -15.644 -15.644 692 HA SER 89 HA SER 89 22.726 -18.014 -18.014 693 1HB SER 89 HB2 SER 89 21.095 -17.636 -17.636 694 2HB SER 89 HB1 SER 89 19.795 -17.918 -17.918 695 HG SER 89 HG SER 89 21.950 -19.712 -19.712 696 H LYS 90 HN LYS 90 20.652 -16.205 -16.205 697 HA LYS 90 HA LYS 90 20.076 -18.482 -18.482 698 1HB LYS 90 HB2 LYS 90 18.640 -15.873 -15.873 699 2HB LYS 90 HB1 LYS 90 18.296 -16.873 -16.873 700 1HG LYS 90 HG2 LYS 90 17.556 -18.682 -18.682 701 2HG LYS 90 HG1 LYS 90 18.289 -18.036 -18.036 702 1HD LYS 90 HD2 LYS 90 16.150 -16.466 -16.466 703 2HD LYS 90 HD1 LYS 90 15.699 -17.794 -17.794 704 1HE LYS 90 HE2 LYS 90 17.168 -15.252 -15.252 705 2HE LYS 90 HE1 LYS 90 15.694 -15.893 -15.893 706 1HZ LYS 90 HZ2 LYS 90 17.111 -17.829 -17.829 707 2HZ LYS 90 HZ1 LYS 90 18.462 -16.883 -16.883 708 3HZ LYS 90 HZ3 LYS 90 17.391 -16.354 -16.354 709 H GLY 91 HN GLY 91 21.611 -15.395 -15.395 710 1HA GLY 91 HA2 GLY 91 23.545 -15.123 -15.123 711 2HA GLY 91 HA1 GLY 91 22.300 -15.300 -15.300 712 H ALA 92 HN ALA 92 20.841 -13.590 -13.590 713 HA ALA 92 HA ALA 92 20.227 -11.334 -11.334 714 1HB ALA 92 HB2 ALA 92 20.276 -12.093 -12.093 715 2HB ALA 92 HB1 ALA 92 20.718 -10.395 -10.395 716 3HB ALA 92 HB3 ALA 92 19.191 -10.973 -10.973 717 H ASP 93 HN ASP 93 23.451 -12.113 -12.113 718 HA ASP 93 HA ASP 93 25.404 -10.744 -10.744 719 1HB ASP 93 HB2 ASP 93 24.628 -10.600 -10.600 720 2HB ASP 93 HB1 ASP 93 23.825 -9.090 -9.090 721 H LYS 94 HN LYS 94 24.419 -7.743 -7.743 722 HA LYS 94 HA LYS 94 23.173 -6.893 -6.893 723 1HB LYS 94 HB2 LYS 94 25.422 -7.245 -7.245 724 2HB LYS 94 HB1 LYS 94 26.105 -6.253 -6.253 725 1HG LYS 94 HG2 LYS 94 25.917 -4.905 -4.905 726 2HG LYS 94 HG1 LYS 94 24.764 -4.334 -4.334 727 1HD LYS 94 HD2 LYS 94 23.675 -6.432 -6.432 728 2HD LYS 94 HD1 LYS 94 24.142 -4.964 -4.964 729 1HE LYS 94 HE2 LYS 94 22.818 -3.813 -3.813 730 2HE LYS 94 HE1 LYS 94 21.988 -5.366 -5.366 731 1HZ LYS 94 HZ1 LYS 94 22.245 -4.531 -4.531 732 2HZ LYS 94 HZ3 LYS 94 21.666 -3.208 -3.208 733 3HZ LYS 94 HZ2 LYS 94 20.824 -4.683 -4.683 734 H THR 95 HN THR 95 24.853 -6.113 -6.113 735 HA THR 95 HA THR 95 23.160 -3.652 -3.652 736 HB THR 95 HB THR 95 25.123 -2.726 -2.726 737 HG1 THR 95 HG1 THR 95 26.776 -3.979 -3.979 738 1HG2 THR 95 HG22 THR 95 24.502 -1.931 -1.931 739 2HG2 THR 95 HG21 THR 95 25.558 -3.160 -3.160 740 3HG2 THR 95 HG23 THR 95 26.241 -1.859 -1.859 741 H VAL 96 HN VAL 96 22.320 -6.088 -6.088 742 HA VAL 96 HA VAL 96 23.133 -6.405 -6.405 743 HB VAL 96 HB VAL 96 21.207 -7.737 -7.737 744 1HG1 VAL 96 HG12 VAL 96 21.046 -7.887 -7.887 745 2HG1 VAL 96 HG11 VAL 96 20.360 -9.108 -9.108 746 3HG1 VAL 96 HG13 VAL 96 19.755 -7.453 -7.453 747 1HG2 VAL 96 HG22 VAL 96 23.721 -8.324 -8.324 748 2HG2 VAL 96 HG21 VAL 96 22.537 -9.601 -9.601 749 3HG2 VAL 96 HG23 VAL 96 22.943 -9.112 -9.112 750 H LYS 97 HN LYS 97 21.125 -4.164 -4.164 751 HA LYS 97 HA LYS 97 20.084 -3.339 -3.339 752 1HB LYS 97 HB2 LYS 97 18.524 -5.182 -5.182 753 2HB LYS 97 HB1 LYS 97 17.966 -3.915 -3.915 754 1HG LYS 97 HG2 LYS 97 16.562 -3.252 -3.252 755 2HG LYS 97 HG1 LYS 97 17.979 -2.669 -2.669 756 1HD LYS 97 HD2 LYS 97 17.173 -5.569 -5.569 757 2HD LYS 97 HD1 LYS 97 16.354 -4.344 -4.344 758 1HE LYS 97 HE2 LYS 97 18.493 -3.609 -3.609 759 2HE LYS 97 HE1 LYS 97 19.349 -4.784 -4.784 760 1HZ LYS 97 HZ2 LYS 97 17.332 -6.146 -6.146 761 2HZ LYS 97 HZ1 LYS 97 18.114 -5.175 -5.175 762 3HZ LYS 97 HZ3 LYS 97 19.010 -6.281 -6.281 763 H GLY 98 HN GLY 98 20.904 -2.596 -2.596 764 1HA GLY 98 HA2 GLY 98 19.306 -0.196 -0.196 765 2HA GLY 98 HA1 GLY 98 20.776 -0.570 -0.570 766 HA PRO 99 HA PRO 99 21.455 2.853 2.853 767 1HB PRO 99 HB2 PRO 99 22.764 4.270 4.270 768 2HB PRO 99 HB1 PRO 99 21.381 4.786 4.786 769 1HG PRO 99 HG2 PRO 99 21.354 3.857 3.857 770 2HG PRO 99 HG1 PRO 99 19.970 4.349 4.349 771 1HD PRO 99 HD2 PRO 99 20.638 1.686 1.686 772 2HD PRO 99 HD1 PRO 99 19.317 2.171 2.171 773 H ASP 100 HN ASP 100 23.723 2.786 2.786 774 HA ASP 100 HA ASP 100 25.566 1.049 1.049 775 1HB ASP 100 HB2 ASP 100 26.011 3.414 3.414 776 2HB ASP 100 HB1 ASP 100 26.429 3.808 3.808 777 H GLY 101 HN GLY 101 27.413 2.732 2.732 778 1HA GLY 101 HA2 GLY 101 27.614 0.616 0.616 779 2HA GLY 101 HA1 GLY 101 28.302 2.223 2.223 780 H LEU 102 HN LEU 102 25.027 2.618 2.618 781 HA LEU 102 HA LEU 102 24.472 3.632 3.632 782 1HB LEU 102 HB2 LEU 102 22.979 3.922 3.922 783 2HB LEU 102 HB1 LEU 102 22.421 2.267 2.267 784 HG LEU 102 HG LEU 102 22.143 4.548 4.548 785 1HD1 LEU 102 HD13 LEU 102 20.192 3.129 3.129 786 2HD1 LEU 102 HD12 LEU 102 19.668 4.066 4.066 787 3HD1 LEU 102 HD11 LEU 102 20.536 4.857 4.857 788 1HD2 LEU 102 HD22 LEU 102 21.523 1.612 1.612 789 2HD2 LEU 102 HD21 LEU 102 22.296 2.661 2.661 790 3HD2 LEU 102 HD23 LEU 102 20.565 2.783 2.783 791 H THR 103 HN THR 103 23.151 0.564 0.564 792 HA THR 103 HA THR 103 22.254 -1.108 -1.108 793 HB THR 103 HB THR 103 24.091 -2.251 -2.251 794 HG1 THR 103 HG1 THR 103 23.533 -2.711 -2.711 795 1HG2 THR 103 HG23 THR 103 25.750 -0.196 -0.196 796 2HG2 THR 103 HG22 THR 103 26.452 -1.627 -1.627 797 3HG2 THR 103 HG21 THR 103 25.612 -0.430 -0.430 798 H ALA 104 HN ALA 104 24.897 -1.137 -1.137 799 HA ALA 104 HA ALA 104 23.182 -0.092 -0.092 800 1HB ALA 104 HB1 ALA 104 25.718 -1.718 -1.718 801 2HB ALA 104 HB3 ALA 104 25.074 -1.026 -1.026 802 3HB ALA 104 HB2 ALA 104 24.123 -2.200 -2.200 803 H LEU 105 HN LEU 105 26.112 0.752 0.752 804 HA LEU 105 HA LEU 105 27.369 2.445 2.445 805 1HB LEU 105 HB2 LEU 105 27.191 3.061 3.061 806 2HB LEU 105 HB1 LEU 105 28.515 3.392 3.392 807 HG LEU 105 HG LEU 105 27.611 0.676 0.676 808 1HD1 LEU 105 HD11 LEU 105 29.001 2.129 2.129 809 2HD1 LEU 105 HD13 LEU 105 30.272 2.081 2.081 810 3HD1 LEU 105 HD12 LEU 105 29.753 0.593 0.593 811 1HD2 LEU 105 HD23 LEU 105 29.612 1.494 1.494 812 2HD2 LEU 105 HD22 LEU 105 28.279 0.350 0.350 813 3HD2 LEU 105 HD21 LEU 105 29.693 -0.069 -0.069 814 H GLU 106 HN GLU 106 25.536 3.797 3.797 815 HA GLU 106 HA GLU 106 25.176 6.267 6.267 816 1HB GLU 106 HB2 GLU 106 23.813 5.501 5.501 817 2HB GLU 106 HB1 GLU 106 24.245 7.111 7.111 818 1HG GLU 106 HG2 GLU 106 26.261 4.938 4.938 819 2HG GLU 106 HG1 GLU 106 25.803 6.225 6.225 820 H ALA 107 HN ALA 107 23.601 3.436 3.436 821 HA ALA 107 HA ALA 107 20.859 4.396 4.396 822 1HB ALA 107 HB2 ALA 107 22.183 1.916 1.916 823 2HB ALA 107 HB1 ALA 107 20.495 2.261 2.261 824 3HB ALA 107 HB3 ALA 107 21.011 2.069 2.069 825 H THR 108 HN THR 108 23.186 3.774 3.774 826 HA THR 108 HA THR 108 21.735 5.791 5.791 827 HB THR 108 HB THR 108 20.483 3.685 3.685 828 HG1 THR 108 HG1 THR 108 21.407 5.286 5.286 829 1HG2 THR 108 HG22 THR 108 22.690 2.349 2.349 830 2HG2 THR 108 HG21 THR 108 22.957 2.581 2.581 831 3HG2 THR 108 HG23 THR 108 21.522 1.726 1.726 832 H ASP 109 HN ASP 109 22.734 4.714 4.714 833 HA ASP 109 HA ASP 109 25.657 4.756 4.756 834 1HB ASP 109 HB2 ASP 109 24.930 7.140 7.140 835 2HB ASP 109 HB1 ASP 109 24.198 6.683 6.683 836 H ASN 110 HN ASN 110 22.877 3.470 3.470 837 HA ASN 110 HA ASN 110 23.976 2.859 2.859 838 1HB ASN 110 HB2 ASN 110 22.056 1.415 1.415 839 2HB ASN 110 HB1 ASN 110 21.487 2.886 2.886 840 1HD2 ASN 110 HD21 ASN 110 22.854 1.881 1.881 841 2HD2 ASN 110 HD22 ASN 110 21.751 0.762 0.762 842 H GLN 111 HN GLN 111 25.179 1.057 1.057 843 HA GLN 111 HA GLN 111 26.615 -0.190 -0.190 844 1HB GLN 111 HB2 GLN 111 27.738 0.257 0.257 845 2HB GLN 111 HB1 GLN 111 26.552 -0.644 -0.644 846 1HG GLN 111 HG2 GLN 111 27.363 -2.720 -2.720 847 2HG GLN 111 HG1 GLN 111 28.130 -2.022 -2.022 848 1HE2 GLN 111 HE21 GLN 111 30.014 -0.471 -0.471 849 2HE2 GLN 111 HE22 GLN 111 31.001 -0.840 -0.840 850 H ALA 112 HN ALA 112 23.517 -0.994 -0.994 851 HA ALA 112 HA ALA 112 23.903 -3.906 -3.906 852 1HB ALA 112 HB2 ALA 112 21.980 -2.695 -2.695 853 2HB ALA 112 HB1 ALA 112 21.289 -2.456 -2.456 854 3HB ALA 112 HB3 ALA 112 21.536 -4.089 -4.089 855 H ILE 113 HN ILE 113 22.657 -1.405 -1.405 856 HA ILE 113 HA ILE 113 22.137 -3.056 -3.056 857 HB ILE 113 HB ILE 113 22.537 -0.155 -0.155 858 1HG1 ILE 113 HG12 ILE 113 20.366 -0.081 -0.081 859 2HG1 ILE 113 HG11 ILE 113 20.350 -1.832 -1.832 860 1HG2 ILE 113 HG22 ILE 113 22.782 -1.365 -1.365 861 2HG2 ILE 113 HG21 ILE 113 22.185 0.281 0.281 862 3HG2 ILE 113 HG23 ILE 113 23.799 -0.148 -0.148 863 1HD1 ILE 113 HD13 ILE 113 20.732 -1.218 -1.218 864 2HD1 ILE 113 HD12 ILE 113 20.010 0.312 0.312 865 3HD1 ILE 113 HD11 ILE 113 19.112 -1.189 -1.189 866 H LYS 114 HN LYS 114 24.754 -0.880 -0.880 867 HA LYS 114 HA LYS 114 26.457 -1.385 -1.385 868 1HB LYS 114 HB2 LYS 114 27.354 -0.928 -0.928 869 2HB LYS 114 HB1 LYS 114 28.220 -0.489 -0.489 870 1HG LYS 114 HG2 LYS 114 25.501 0.649 0.649 871 2HG LYS 114 HG1 LYS 114 27.018 1.439 1.439 872 1HD LYS 114 HD2 LYS 114 27.620 1.319 1.319 873 2HD LYS 114 HD1 LYS 114 25.948 0.840 0.840 874 1HE LYS 114 HE2 LYS 114 25.983 3.206 3.206 875 2HE LYS 114 HE1 LYS 114 25.272 2.936 2.936 876 1HZ LYS 114 HZ2 LYS 114 28.175 3.356 3.356 877 2HZ LYS 114 HZ1 LYS 114 27.104 4.666 4.666 878 3HZ LYS 114 HZ3 LYS 114 27.240 3.530 3.530 879 H ALA 115 HN ALA 115 25.378 -3.466 -3.466 880 HA ALA 115 HA ALA 115 27.625 -5.223 -5.223 881 1HB ALA 115 HB1 ALA 115 25.443 -5.161 -5.161 882 2HB ALA 115 HB3 ALA 115 24.784 -6.201 -6.201 883 3HB ALA 115 HB2 ALA 115 26.189 -6.722 -6.722 884 H LEU 116 HN LEU 116 24.972 -4.908 -4.908 885 HA LEU 116 HA LEU 116 25.559 -7.394 -7.394 886 1HB LEU 116 HB2 LEU 116 23.983 -4.950 -4.950 887 2HB LEU 116 HB1 LEU 116 24.624 -5.738 -5.738 888 HG LEU 116 HG LEU 116 22.696 -6.850 -6.850 889 1HD1 LEU 116 HD11 LEU 116 22.663 -6.136 -6.136 890 2HD1 LEU 116 HD13 LEU 116 21.664 -7.490 -7.490 891 3HD1 LEU 116 HD12 LEU 116 21.427 -5.895 -5.895 892 1HD2 LEU 116 HD23 LEU 116 24.568 -8.330 -8.330 893 2HD2 LEU 116 HD22 LEU 116 23.964 -8.781 -8.781 894 3HD2 LEU 116 HD21 LEU 116 22.923 -8.942 -8.942 895 H LEU 117 HN LEU 117 26.946 -4.205 -4.205 896 HA LEU 117 HA LEU 117 28.607 -4.760 -4.760 897 1HB LEU 117 HB2 LEU 117 28.930 -2.509 -2.509 898 2HB LEU 117 HB1 LEU 117 27.730 -2.451 -2.451 899 HG LEU 117 HG LEU 117 29.760 -2.888 -2.888 900 1HD1 LEU 117 HD11 LEU 117 31.131 -2.896 -2.896 901 2HD1 LEU 117 HD13 LEU 117 31.520 -1.350 -1.350 902 3HD1 LEU 117 HD12 LEU 117 31.843 -2.849 -2.849 903 1HD2 LEU 117 HD23 LEU 117 28.378 -0.721 -0.721 904 2HD2 LEU 117 HD22 LEU 117 29.957 -0.563 -0.563 905 3HD2 LEU 117 HD21 LEU 117 29.765 -0.189 -0.189 906 H GLN 118 HN GLN 118 28.483 -6.038 -6.038 907 HA GLN 118 HA GLN 118 31.170 -5.868 -5.868 908 1HB GLN 118 HB2 GLN 118 29.258 -6.530 -6.530 909 2HB GLN 118 HB1 GLN 118 29.078 -7.981 -7.981 910 1HG GLN 118 HG2 GLN 118 31.150 -8.838 -8.838 911 2HG GLN 118 HG1 GLN 118 31.629 -7.308 -7.308 912 1HE2 GLN 118 HE21 GLN 118 28.338 -7.802 -7.802 913 2HE2 GLN 118 HE22 GLN 118 28.452 -8.496 -8.496 Start of MODEL 13 1 1H MET 1 HT3 MET 1 -9.313 -12.304 -12.304 2 2H MET 1 HT2 MET 1 -9.279 -13.021 -13.021 3 3H MET 1 HT1 MET 1 -7.854 -12.392 -12.392 4 HA MET 1 HA MET 1 -8.451 -10.749 -10.749 5 1HB MET 1 HB2 MET 1 -10.646 -11.729 -11.729 6 2HB MET 1 HB1 MET 1 -11.298 -11.148 -11.148 7 1HG MET 1 HG2 MET 1 -11.135 -8.884 -8.884 8 2HG MET 1 HG1 MET 1 -10.006 -9.249 -9.249 9 1HE MET 1 HE1 MET 1 -13.536 -8.769 -8.769 10 2HE MET 1 HE3 MET 1 -14.548 -9.780 -9.780 11 3HE MET 1 HE2 MET 1 -13.483 -10.524 -10.524 12 H CYS 2 HN CYS 2 -9.300 -11.155 -11.155 13 HA CYS 2 HA CYS 2 -9.461 -8.246 -8.246 14 1HB CYS 2 HB2 CYS 2 -9.407 -10.455 -10.455 15 2HB CYS 2 HB1 CYS 2 -10.055 -8.825 -8.825 16 HG CYS 2 HG CYS 2 -11.467 -11.173 -11.173 17 H ASP 3 HN ASP 3 -7.370 -7.482 -7.482 18 HA ASP 3 HA ASP 3 -4.908 -8.622 -8.622 19 1HB ASP 3 HB2 ASP 3 -5.604 -5.697 -5.697 20 2HB ASP 3 HB1 ASP 3 -3.997 -6.359 -6.359 21 H LYS 4 HN LYS 4 -7.083 -6.934 -6.934 22 HA LYS 4 HA LYS 4 -5.482 -6.534 -6.534 23 1HB LYS 4 HB2 LYS 4 -8.307 -7.632 -7.632 24 2HB LYS 4 HB1 LYS 4 -7.504 -6.748 -6.748 25 1HG LYS 4 HG2 LYS 4 -7.182 -4.861 -4.861 26 2HG LYS 4 HG1 LYS 4 -8.393 -5.716 -5.716 27 1HD LYS 4 HD2 LYS 4 -9.928 -5.639 -5.639 28 2HD LYS 4 HD1 LYS 4 -8.737 -4.637 -4.637 29 1HE LYS 4 HE2 LYS 4 -8.881 -2.988 -2.988 30 2HE LYS 4 HE1 LYS 4 -10.157 -3.966 -3.966 31 1HZ LYS 4 HZ2 LYS 4 -10.263 -2.814 -2.814 32 2HZ LYS 4 HZ1 LYS 4 -11.010 -2.128 -2.128 33 3HZ LYS 4 HZ3 LYS 4 -11.511 -3.646 -3.646 34 H GLU 5 HN GLU 5 -7.622 -9.391 -9.391 35 HA GLU 5 HA GLU 5 -6.362 -10.878 -10.878 36 1HB GLU 5 HB2 GLU 5 -8.441 -11.489 -11.489 37 2HB GLU 5 HB1 GLU 5 -7.335 -12.156 -12.156 38 1HG GLU 5 HG2 GLU 5 -7.863 -14.012 -14.012 39 2HG GLU 5 HG1 GLU 5 -6.299 -13.473 -13.473 40 H PHE 6 HN PHE 6 -5.368 -10.700 -10.700 41 HA PHE 6 HA PHE 6 -3.225 -12.629 -12.629 42 1HB PHE 6 HB2 PHE 6 -4.441 -11.596 -11.596 43 2HB PHE 6 HB1 PHE 6 -3.188 -10.369 -10.369 44 HD1 PHE 6 HD2 PHE 6 -1.067 -12.467 -12.467 45 HD2 PHE 6 HD1 PHE 6 -3.657 -12.377 -12.377 46 HE1 PHE 6 HE2 PHE 6 0.483 -13.962 -13.962 47 HE2 PHE 6 HE1 PHE 6 -2.100 -13.875 -13.875 48 HZ PHE 6 HZ PHE 6 -0.029 -14.667 -14.667 49 H MET 7 HN MET 7 -3.005 -9.128 -9.128 50 HA MET 7 HA MET 7 -0.336 -8.742 -8.742 51 1HB MET 7 HB2 MET 7 -1.528 -7.014 -7.014 52 2HB MET 7 HB1 MET 7 -2.747 -6.926 -6.926 53 1HG MET 7 HG2 MET 7 -1.265 -5.884 -5.884 54 2HG MET 7 HG1 MET 7 0.155 -6.362 -6.362 55 1HE MET 7 HE1 MET 7 -3.257 -4.710 -4.710 56 2HE MET 7 HE3 MET 7 -3.026 -3.482 -3.482 57 3HE MET 7 HE2 MET 7 -2.966 -5.192 -5.192 58 H TRP 8 HN TRP 8 -3.296 -8.280 -8.280 59 HA TRP 8 HA TRP 8 -2.210 -7.428 -7.428 60 1HB TRP 8 HB2 TRP 8 -4.647 -7.754 -7.754 61 2HB TRP 8 HB1 TRP 8 -4.437 -9.457 -9.457 62 HD1 TRP 8 HD1 TRP 8 -3.735 -10.019 -10.019 63 HE1 TRP 8 HE1 TRP 8 -4.261 -8.748 -8.748 64 HE3 TRP 8 HE3 TRP 8 -5.021 -5.470 -5.470 65 HZ2 TRP 8 HZ2 TRP 8 -5.115 -6.141 -6.141 66 HZ3 TRP 8 HZ3 TRP 8 -5.685 -3.611 -3.611 67 HH2 TRP 8 HH2 TRP 8 -5.733 -3.940 -3.940 68 H ALA 9 HN ALA 9 -1.724 -10.528 -10.528 69 HA ALA 9 HA ALA 9 -1.101 -11.806 -11.806 70 1HB ALA 9 HB3 ALA 9 -0.761 -12.792 -12.792 71 2HB ALA 9 HB2 ALA 9 -0.465 -13.755 -13.755 72 3HB ALA 9 HB1 ALA 9 -2.093 -13.180 -13.180 73 H LEU 10 HN LEU 10 0.746 -10.822 -10.822 74 HA LEU 10 HA LEU 10 3.319 -11.518 -11.518 75 1HB LEU 10 HB2 LEU 10 2.533 -9.162 -9.162 76 2HB LEU 10 HB1 LEU 10 4.164 -9.806 -9.806 77 HG LEU 10 HG LEU 10 2.612 -12.043 -12.043 78 1HD1 LEU 10 HD12 LEU 10 1.775 -9.624 -9.624 79 2HD1 LEU 10 HD11 LEU 10 1.458 -11.297 -11.297 80 3HD1 LEU 10 HD13 LEU 10 0.732 -10.637 -10.637 81 1HD2 LEU 10 HD23 LEU 10 4.312 -10.208 -10.208 82 2HD2 LEU 10 HD22 LEU 10 4.859 -11.629 -11.629 83 3HD2 LEU 10 HD21 LEU 10 3.786 -11.816 -11.816 84 H LYS 11 HN LYS 11 1.086 -9.270 -9.270 85 HA LYS 11 HA LYS 11 2.994 -7.331 -7.331 86 1HB LYS 11 HB2 LYS 11 0.959 -6.494 -6.494 87 2HB LYS 11 HB1 LYS 11 -0.012 -7.582 -7.582 88 1HG LYS 11 HG2 LYS 11 0.489 -6.402 -6.402 89 2HG LYS 11 HG1 LYS 11 1.816 -5.524 -5.524 90 1HD LYS 11 HD2 LYS 11 0.342 -4.216 -4.216 91 2HD LYS 11 HD1 LYS 11 -1.022 -5.287 -5.287 92 1HE LYS 11 HE2 LYS 11 -1.267 -3.285 -3.285 93 2HE LYS 11 HE1 LYS 11 -0.897 -4.646 -4.646 94 1HZ LYS 11 HZ3 LYS 11 1.550 -3.766 -3.766 95 2HZ LYS 11 HZ2 LYS 11 0.680 -2.306 -2.306 96 3HZ LYS 11 HZ1 LYS 11 0.697 -3.291 -3.291 97 H ASN 12 HN ASN 12 0.189 -8.898 -8.898 98 HA ASN 12 HA ASN 12 1.381 -8.611 -8.611 99 1HB ASN 12 HB2 ASN 12 -1.192 -9.388 -9.388 100 2HB ASN 12 HB1 ASN 12 -0.788 -10.328 -10.328 101 1HD2 ASN 12 HD21 ASN 12 -2.358 -9.223 -9.223 102 2HD2 ASN 12 HD22 ASN 12 -2.147 -7.606 -7.606 103 H GLY 13 HN GLY 13 2.648 -10.493 -10.493 104 1HA GLY 13 HA2 GLY 13 3.860 -12.476 -12.476 105 2HA GLY 13 HA1 GLY 13 3.558 -12.428 -12.428 106 H ASP 14 HN ASP 14 0.753 -12.435 -12.435 107 HA ASP 14 HA ASP 14 -0.088 -14.963 -14.963 108 1HB ASP 14 HB2 ASP 14 -1.317 -13.883 -13.883 109 2HB ASP 14 HB1 ASP 14 -2.068 -14.655 -14.655 110 H LEU 15 HN LEU 15 2.271 -15.430 -15.430 111 HA LEU 15 HA LEU 15 2.923 -16.127 -16.127 112 1HB LEU 15 HB2 LEU 15 4.394 -16.245 -16.245 113 2HB LEU 15 HB1 LEU 15 3.519 -17.672 -17.672 114 HG LEU 15 HG LEU 15 5.771 -17.988 -17.988 115 1HD1 LEU 15 HD11 LEU 15 3.796 -19.675 -19.675 116 2HD1 LEU 15 HD13 LEU 15 3.594 -19.585 -19.585 117 3HD1 LEU 15 HD12 LEU 15 5.126 -20.122 -20.122 118 1HD2 LEU 15 HD23 LEU 15 5.026 -16.411 -16.411 119 2HD2 LEU 15 HD22 LEU 15 5.774 -17.930 -17.930 120 3HD2 LEU 15 HD21 LEU 15 4.023 -17.747 -17.747 121 H ASP 16 HN ASP 16 0.800 -17.810 -17.810 122 HA ASP 16 HA ASP 16 0.566 -20.265 -20.265 123 1HB ASP 16 HB2 ASP 16 -1.319 -18.797 -18.797 124 2HB ASP 16 HB1 ASP 16 -1.596 -20.437 -20.437 125 H GLU 17 HN GLU 17 -0.996 -17.124 -17.124 126 HA GLU 17 HA GLU 17 -3.026 -18.136 -18.136 127 1HB GLU 17 HB2 GLU 17 -2.123 -15.351 -15.351 128 2HB GLU 17 HB1 GLU 17 -3.372 -15.653 -15.653 129 1HG GLU 17 HG2 GLU 17 -4.612 -17.009 -17.009 130 2HG GLU 17 HG1 GLU 17 -3.428 -16.470 -16.470 131 H VAL 18 HN VAL 18 0.078 -16.391 -16.391 132 HA VAL 18 HA VAL 18 -0.175 -16.213 -16.213 133 HB VAL 18 HB VAL 18 2.574 -16.414 -16.414 134 1HG1 VAL 18 HG11 VAL 18 1.167 -14.635 -14.635 135 2HG1 VAL 18 HG13 VAL 18 1.085 -13.821 -13.821 136 3HG1 VAL 18 HG12 VAL 18 2.647 -14.118 -14.118 137 1HG2 VAL 18 HG23 VAL 18 1.789 -16.543 -16.543 138 2HG2 VAL 18 HG22 VAL 18 3.081 -15.422 -15.422 139 3HG2 VAL 18 HG21 VAL 18 1.440 -14.821 -14.821 140 H LYS 19 HN LYS 19 1.258 -18.539 -18.539 141 HA LYS 19 HA LYS 19 2.522 -20.285 -20.285 142 1HB LYS 19 HB2 LYS 19 2.452 -20.384 -20.384 143 2HB LYS 19 HB1 LYS 19 0.871 -21.145 -21.145 144 1HG LYS 19 HG2 LYS 19 1.769 -23.062 -23.062 145 2HG LYS 19 HG1 LYS 19 3.294 -22.251 -22.251 146 1HD LYS 19 HD2 LYS 19 2.480 -22.487 -22.487 147 2HD LYS 19 HD1 LYS 19 3.081 -23.933 -23.933 148 1HE LYS 19 HE2 LYS 19 5.146 -22.801 -22.801 149 2HE LYS 19 HE1 LYS 19 4.539 -21.274 -21.274 150 1HZ LYS 19 HZ2 LYS 19 4.220 -22.859 -22.859 151 2HZ LYS 19 HZ1 LYS 19 5.577 -23.596 -23.596 152 3HZ LYS 19 HZ3 LYS 19 5.631 -21.956 -21.956 153 H ASP 20 HN ASP 20 -0.905 -19.950 -19.950 154 HA ASP 20 HA ASP 20 -1.728 -22.331 -22.331 155 1HB ASP 20 HB2 ASP 20 -3.084 -20.994 -20.994 156 2HB ASP 20 HB1 ASP 20 -3.418 -19.862 -19.862 157 H TYR 21 HN TYR 21 -1.577 -18.896 -18.896 158 HA TYR 21 HA TYR 21 -2.709 -19.112 -19.112 159 1HB TYR 21 HB2 TYR 21 -0.727 -17.251 -17.251 160 2HB TYR 21 HB1 TYR 21 -0.986 -17.147 -17.147 161 HD1 TYR 21 HD2 TYR 21 -3.201 -16.553 -16.553 162 HD2 TYR 21 HD1 TYR 21 -2.459 -16.618 -16.618 163 HE1 TYR 21 HE2 TYR 21 -5.282 -15.257 -15.257 164 HE2 TYR 21 HE1 TYR 21 -4.539 -15.323 -15.323 165 HH TYR 21 HH TYR 21 -6.824 -14.707 -14.707 166 H VAL 22 HN VAL 22 0.820 -19.093 -19.093 167 HA VAL 22 HA VAL 22 1.537 -19.865 -19.865 168 HB VAL 22 HB VAL 22 3.138 -18.803 -18.803 169 1HG1 VAL 22 HG11 VAL 22 2.417 -19.947 -19.947 170 2HG1 VAL 22 HG13 VAL 22 3.062 -21.467 -21.467 171 3HG1 VAL 22 HG12 VAL 22 4.151 -20.128 -20.128 172 1HG2 VAL 22 HG23 VAL 22 3.923 -20.204 -20.204 173 2HG2 VAL 22 HG22 VAL 22 5.060 -20.200 -20.200 174 3HG2 VAL 22 HG21 VAL 22 4.007 -21.590 -21.590 175 H ALA 23 HN ALA 23 0.285 -21.715 -21.715 176 HA ALA 23 HA ALA 23 1.412 -24.257 -24.257 177 1HB ALA 23 HB2 ALA 23 -0.171 -23.652 -23.652 178 2HB ALA 23 HB1 ALA 23 -1.485 -23.831 -23.831 179 3HB ALA 23 HB3 ALA 23 -0.455 -25.209 -25.209 180 H LYS 24 HN LYS 24 -0.955 -22.302 -22.302 181 HA LYS 24 HA LYS 24 -2.255 -24.197 -24.197 182 1HB LYS 24 HB2 LYS 24 -1.478 -21.312 -21.312 183 2HB LYS 24 HB1 LYS 24 -2.275 -22.205 -22.205 184 1HG LYS 24 HG2 LYS 24 -3.393 -22.091 -22.091 185 2HG LYS 24 HG1 LYS 24 -3.794 -20.885 -20.885 186 1HD LYS 24 HD2 LYS 24 -5.303 -22.276 -22.276 187 2HD LYS 24 HD1 LYS 24 -4.077 -23.529 -23.529 188 1HE LYS 24 HE2 LYS 24 -6.051 -24.203 -24.203 189 2HE LYS 24 HE1 LYS 24 -4.480 -24.381 -24.381 190 1HZ LYS 24 HZ3 LYS 24 -5.664 -21.782 -21.782 191 2HZ LYS 24 HZ2 LYS 24 -6.590 -23.040 -23.040 192 3HZ LYS 24 HZ1 LYS 24 -4.974 -22.827 -22.827 193 H GLY 25 HN GLY 25 0.167 -22.044 -22.044 194 1HA GLY 25 HA2 GLY 25 1.913 -24.211 -24.211 195 2HA GLY 25 HA1 GLY 25 0.927 -23.633 -23.633 196 H GLU 26 HN GLU 26 3.608 -22.972 -22.972 197 HA GLU 26 HA GLU 26 4.971 -21.039 -21.039 198 1HB GLU 26 HB2 GLU 26 6.032 -20.682 -20.682 199 2HB GLU 26 HB1 GLU 26 6.229 -22.236 -22.236 200 1HG GLU 26 HG2 GLU 26 3.965 -21.701 -21.701 201 2HG GLU 26 HG1 GLU 26 5.521 -22.333 -22.333 202 H ASP 27 HN ASP 27 3.940 -19.176 -19.176 203 HA ASP 27 HA ASP 27 3.267 -17.322 -17.322 204 1HB ASP 27 HB2 ASP 27 1.401 -18.085 -18.085 205 2HB ASP 27 HB1 ASP 27 1.199 -16.618 -16.618 206 H VAL 28 HN VAL 28 5.554 -17.361 -17.361 207 HA VAL 28 HA VAL 28 5.104 -15.363 -15.363 208 HB VAL 28 HB VAL 28 7.461 -15.897 -15.897 209 1HG1 VAL 28 HG11 VAL 28 5.437 -17.165 -17.165 210 2HG1 VAL 28 HG13 VAL 28 5.744 -18.365 -18.365 211 3HG1 VAL 28 HG12 VAL 28 6.935 -18.099 -18.099 212 1HG2 VAL 28 HG22 VAL 28 7.869 -16.634 -16.634 213 2HG2 VAL 28 HG21 VAL 28 8.768 -17.378 -17.378 214 3HG2 VAL 28 HG23 VAL 28 7.376 -18.209 -18.209 215 H ASN 29 HN ASN 29 4.611 -13.937 -13.937 216 HA ASN 29 HA ASN 29 6.617 -11.954 -11.954 217 1HB ASN 29 HB2 ASN 29 6.964 -12.319 -12.319 218 2HB ASN 29 HB1 ASN 29 7.919 -13.297 -13.297 219 1HD2 ASN 29 HD21 ASN 29 7.085 -15.549 -15.549 220 2HD2 ASN 29 HD22 ASN 29 6.154 -16.316 -16.316 221 H ARG 30 HN ARG 30 3.820 -12.194 -12.194 222 HA ARG 30 HA ARG 30 2.588 -10.943 -10.943 223 1HB ARG 30 HB2 ARG 30 1.271 -12.168 -12.168 224 2HB ARG 30 HB1 ARG 30 0.444 -11.558 -11.558 225 1HG ARG 30 HG2 ARG 30 1.886 -13.210 -13.210 226 2HG ARG 30 HG1 ARG 30 2.276 -13.949 -13.949 227 1HD ARG 30 HD2 ARG 30 0.357 -15.095 -15.095 228 2HD ARG 30 HD1 ARG 30 -0.148 -14.241 -14.241 229 HE ARG 30 HE ARG 30 -0.577 -12.427 -12.427 230 1HH1 ARG 30 HH21 ARG 30 -1.512 -15.642 -15.642 231 2HH1 ARG 30 HH22 ARG 30 -3.021 -15.561 -15.561 232 1HH2 ARG 30 HH11 ARG 30 -2.539 -12.301 -12.301 233 2HH2 ARG 30 HH12 ARG 30 -3.603 -13.668 -13.668 234 H THR 31 HN THR 31 2.110 -8.829 -8.829 235 HA THR 31 HA THR 31 2.756 -7.112 -7.112 236 HB THR 31 HB THR 31 1.585 -5.391 -5.391 237 HG1 THR 31 HG1 THR 31 0.414 -7.617 -7.617 238 1HG2 THR 31 HG21 THR 31 3.148 -7.408 -7.408 239 2HG2 THR 31 HG23 THR 31 2.420 -6.031 -6.031 240 3HG2 THR 31 HG22 THR 31 3.593 -5.765 -5.765 241 H LEU 32 HN LEU 32 1.639 -7.889 -7.889 242 HA LEU 32 HA LEU 32 -1.158 -8.490 -8.490 243 1HB LEU 32 HB2 LEU 32 -1.192 -8.132 -8.132 244 2HB LEU 32 HB1 LEU 32 -0.007 -9.297 -9.297 245 HG LEU 32 HG LEU 32 0.865 -7.840 -7.840 246 1HD1 LEU 32 HD11 LEU 32 2.239 -8.694 -8.694 247 2HD1 LEU 32 HD13 LEU 32 2.424 -6.959 -6.959 248 3HD1 LEU 32 HD12 LEU 32 2.969 -7.677 -7.677 249 1HD2 LEU 32 HD23 LEU 32 -0.523 -5.806 -5.806 250 2HD2 LEU 32 HD22 LEU 32 0.917 -5.558 -5.558 251 3HD2 LEU 32 HD21 LEU 32 1.032 -5.485 -5.485 252 H GLU 33 HN GLU 33 0.608 -5.539 -5.539 253 HA GLU 33 HA GLU 33 -1.757 -3.895 -3.895 254 1HB GLU 33 HB2 GLU 33 0.581 -3.218 -3.218 255 2HB GLU 33 HB1 GLU 33 0.959 -3.038 -3.038 256 1HG GLU 33 HG2 GLU 33 -1.398 -1.610 -1.610 257 2HG GLU 33 HG1 GLU 33 0.224 -0.918 -0.918 258 H GLY 34 HN GLY 34 0.535 -3.879 -3.879 259 1HA GLY 34 HA2 GLY 34 -1.264 -4.490 -4.490 260 2HA GLY 34 HA1 GLY 34 -1.356 -2.744 -2.744 261 H GLY 35 HN GLY 35 1.558 -2.978 -2.978 262 1HA GLY 35 HA2 GLY 35 3.025 -3.645 -3.645 263 2HA GLY 35 HA1 GLY 35 2.994 -1.924 -1.924 264 H ARG 36 HN ARG 36 2.960 -4.473 -4.473 265 HA ARG 36 HA ARG 36 5.728 -3.686 -3.686 266 1HB ARG 36 HB2 ARG 36 3.482 -4.560 -4.560 267 2HB ARG 36 HB1 ARG 36 5.044 -3.893 -3.893 268 1HG ARG 36 HG2 ARG 36 3.178 -2.291 -2.291 269 2HG ARG 36 HG1 ARG 36 2.956 -2.316 -2.316 270 1HD ARG 36 HD2 ARG 36 5.621 -1.696 -1.696 271 2HD ARG 36 HD1 ARG 36 4.427 -0.436 -0.436 272 HE ARG 36 HE ARG 36 6.179 -1.650 -1.650 273 1HH1 ARG 36 HH21 ARG 36 2.935 -0.530 -0.530 274 2HH1 ARG 36 HH22 ARG 36 2.640 -0.415 -0.415 275 1HH2 ARG 36 HH11 ARG 36 5.800 -1.509 -1.509 276 2HH2 ARG 36 HH12 ARG 36 4.255 -0.971 -0.971 277 H LYS 37 HN LYS 37 6.065 -5.591 -5.591 278 HA LYS 37 HA LYS 37 5.649 -8.230 -8.230 279 1HB LYS 37 HB2 LYS 37 7.976 -8.830 -8.830 280 2HB LYS 37 HB1 LYS 37 7.932 -7.271 -7.271 281 1HG LYS 37 HG2 LYS 37 8.442 -7.734 -7.734 282 2HG LYS 37 HG1 LYS 37 9.617 -7.200 -7.200 283 1HD LYS 37 HD2 LYS 37 7.958 -5.231 -5.231 284 2HD LYS 37 HD1 LYS 37 7.278 -5.682 -5.682 285 1HE LYS 37 HE2 LYS 37 9.451 -5.403 -5.403 286 2HE LYS 37 HE1 LYS 37 10.193 -5.027 -5.027 287 1HZ LYS 37 HZ2 LYS 37 8.021 -3.466 -3.466 288 2HZ LYS 37 HZ1 LYS 37 9.660 -3.020 -3.020 289 3HZ LYS 37 HZ3 LYS 37 8.755 -3.101 -3.101 290 HA PRO 38 HA PRO 38 4.650 -9.348 -9.348 291 1HB PRO 38 HB2 PRO 38 5.366 -12.059 -12.059 292 2HB PRO 38 HB1 PRO 38 3.833 -11.394 -11.394 293 1HG PRO 38 HG2 PRO 38 6.134 -12.398 -12.398 294 2HG PRO 38 HG1 PRO 38 4.450 -12.182 -12.182 295 1HD PRO 38 HD2 PRO 38 6.635 -10.505 -10.505 296 2HD PRO 38 HD1 PRO 38 4.913 -10.151 -10.151 297 H LEU 39 HN LEU 39 7.290 -8.154 -8.154 298 HA LEU 39 HA LEU 39 8.736 -9.803 -9.803 299 1HB LEU 39 HB2 LEU 39 9.679 -9.425 -9.425 300 2HB LEU 39 HB1 LEU 39 10.290 -7.957 -7.957 301 HG LEU 39 HG LEU 39 12.061 -9.134 -9.134 302 1HD1 LEU 39 HD12 LEU 39 10.545 -9.467 -9.467 303 2HD1 LEU 39 HD11 LEU 39 10.316 -11.114 -11.114 304 3HD1 LEU 39 HD13 LEU 39 11.928 -10.541 -10.541 305 1HD2 LEU 39 HD21 LEU 39 10.552 -11.546 -11.546 306 2HD2 LEU 39 HD23 LEU 39 11.823 -10.648 -10.648 307 3HD2 LEU 39 HD22 LEU 39 12.211 -11.612 -11.612 308 H HIS 40 HN HIS 40 7.931 -6.538 -6.538 309 HA HIS 40 HA HIS 40 9.443 -5.134 -5.134 310 1HB HIS 40 HB2 HIS 40 8.702 -3.908 -3.908 311 2HB HIS 40 HB1 HIS 40 7.017 -4.307 -4.307 312 HD1 HIS 40 HD1 HIS 40 9.888 -2.538 -2.538 313 HD2 HIS 40 HD2 HIS 40 5.744 -2.309 -2.309 314 HE1 HIS 40 HE1 HIS 40 9.152 -0.507 -0.507 315 H TYR 41 HN TYR 41 6.091 -6.270 -6.270 316 HA TYR 41 HA TYR 41 5.310 -5.189 -5.189 317 1HB TYR 41 HB2 TYR 41 4.106 -7.622 -7.622 318 2HB TYR 41 HB1 TYR 41 3.301 -6.410 -6.410 319 HD1 TYR 41 HD1 TYR 41 4.911 -7.012 -7.012 320 HD2 TYR 41 HD2 TYR 41 2.524 -4.350 -4.350 321 HE1 TYR 41 HE1 TYR 41 4.414 -5.653 -5.653 322 HE2 TYR 41 HE2 TYR 41 2.029 -2.994 -2.994 323 HH TYR 41 HH TYR 41 2.265 -2.815 -2.815 324 H ALA 42 HN ALA 42 6.568 -8.291 -8.291 325 HA ALA 42 HA ALA 42 6.456 -9.591 -9.591 326 1HB ALA 42 HB2 ALA 42 6.684 -10.683 -10.683 327 2HB ALA 42 HB1 ALA 42 8.391 -10.254 -10.254 328 3HB ALA 42 HB3 ALA 42 7.682 -11.350 -11.350 329 H ALA 43 HN ALA 43 9.184 -8.327 -8.327 330 HA ALA 43 HA ALA 43 11.192 -8.528 -8.528 331 1HB ALA 43 HB2 ALA 43 10.789 -6.328 -6.328 332 2HB ALA 43 HB1 ALA 43 12.308 -6.695 -6.695 333 3HB ALA 43 HB3 ALA 43 11.601 -7.868 -7.868 334 H ASP 44 HN ASP 44 9.341 -5.561 -5.561 335 HA ASP 44 HA ASP 44 10.232 -3.978 -3.978 336 1HB ASP 44 HB2 ASP 44 8.825 -3.195 -3.195 337 2HB ASP 44 HB1 ASP 44 7.436 -3.998 -3.998 338 H CYS 45 HN CYS 45 7.609 -6.393 -6.393 339 HA CYS 45 HA CYS 45 7.793 -6.455 -6.455 340 1HB CYS 45 HB2 CYS 45 5.306 -5.471 -5.471 341 2HB CYS 45 HB1 CYS 45 5.331 -5.975 -5.975 342 HG CYS 45 HG CYS 45 6.342 -3.800 -3.800 343 H GLY 46 HN GLY 46 8.412 -8.591 -8.591 344 1HA GLY 46 HA2 GLY 46 5.917 -10.227 -10.227 345 2HA GLY 46 HA1 GLY 46 7.434 -10.563 -10.563 346 H GLN 47 HN GLN 47 7.343 -9.649 -9.649 347 HA GLN 47 HA GLN 47 8.172 -10.847 -10.847 348 1HB GLN 47 HB2 GLN 47 6.511 -12.912 -12.912 349 2HB GLN 47 HB1 GLN 47 7.316 -13.285 -13.285 350 1HG GLN 47 HG2 GLN 47 4.933 -12.486 -12.486 351 2HG GLN 47 HG1 GLN 47 6.114 -11.542 -11.542 352 1HE2 GLN 47 HE21 GLN 47 5.227 -11.446 -11.446 353 2HE2 GLN 47 HE22 GLN 47 4.823 -9.797 -9.797 354 H LEU 48 HN LEU 48 9.415 -10.820 -10.820 355 HA LEU 48 HA LEU 48 11.371 -11.503 -11.503 356 1HB LEU 48 HB2 LEU 48 11.889 -12.277 -12.277 357 2HB LEU 48 HB1 LEU 48 13.097 -12.474 -12.474 358 HG LEU 48 HG LEU 48 13.678 -10.310 -10.310 359 1HD1 LEU 48 HD11 LEU 48 10.784 -9.622 -9.622 360 2HD1 LEU 48 HD13 LEU 48 12.117 -8.473 -8.473 361 3HD1 LEU 48 HD12 LEU 48 12.075 -9.762 -9.762 362 1HD2 LEU 48 HD22 LEU 48 12.961 -10.555 -10.555 363 2HD2 LEU 48 HD21 LEU 48 12.665 -8.914 -8.914 364 3HD2 LEU 48 HD23 LEU 48 11.330 -10.059 -10.059 365 H GLU 49 HN GLU 49 9.158 -13.669 -13.669 366 HA GLU 49 HA GLU 49 10.719 -16.048 -16.048 367 1HB GLU 49 HB2 GLU 49 8.426 -17.195 -17.195 368 2HB GLU 49 HB1 GLU 49 9.398 -16.643 -16.643 369 1HG GLU 49 HG2 GLU 49 8.105 -14.583 -14.583 370 2HG GLU 49 HG1 GLU 49 7.186 -15.035 -15.035 371 H ILE 50 HN ILE 50 8.052 -13.978 -13.978 372 HA ILE 50 HA ILE 50 7.107 -15.483 -15.483 373 HB ILE 50 HB ILE 50 7.015 -12.489 -12.489 374 1HG1 ILE 50 HG12 ILE 50 5.771 -14.669 -14.669 375 2HG1 ILE 50 HG11 ILE 50 5.790 -12.952 -12.952 376 1HG2 ILE 50 HG22 ILE 50 6.434 -13.393 -13.393 377 2HG2 ILE 50 HG21 ILE 50 5.156 -14.346 -14.346 378 3HG2 ILE 50 HG23 ILE 50 5.092 -12.585 -12.585 379 1HD1 ILE 50 HD12 ILE 50 3.937 -14.102 -14.102 380 2HD1 ILE 50 HD11 ILE 50 3.500 -14.060 -14.060 381 3HD1 ILE 50 HD13 ILE 50 3.824 -12.556 -12.556 382 H LEU 51 HN LEU 51 9.332 -12.677 -12.677 383 HA LEU 51 HA LEU 51 9.741 -12.535 -12.535 384 1HB LEU 51 HB2 LEU 51 12.316 -12.081 -12.081 385 2HB LEU 51 HB1 LEU 51 11.059 -10.865 -10.865 386 HG LEU 51 HG LEU 51 12.254 -10.786 -10.786 387 1HD1 LEU 51 HD13 LEU 51 9.469 -10.967 -10.967 388 2HD1 LEU 51 HD12 LEU 51 9.872 -11.922 -11.922 389 3HD1 LEU 51 HD11 LEU 51 10.384 -10.242 -10.242 390 1HD2 LEU 51 HD23 LEU 51 12.785 -13.325 -13.325 391 2HD2 LEU 51 HD22 LEU 51 12.586 -12.582 -12.582 392 3HD2 LEU 51 HD21 LEU 51 11.267 -13.522 -13.522 393 H GLU 52 HN GLU 52 11.819 -14.583 -14.583 394 HA GLU 52 HA GLU 52 13.165 -15.790 -15.790 395 1HB GLU 52 HB2 GLU 52 13.792 -17.603 -17.603 396 2HB GLU 52 HB1 GLU 52 14.048 -16.008 -16.008 397 1HG GLU 52 HG2 GLU 52 13.003 -17.227 -17.227 398 2HG GLU 52 HG1 GLU 52 11.694 -16.280 -16.280 399 H PHE 53 HN PHE 53 9.984 -16.426 -16.426 400 HA PHE 53 HA PHE 53 9.664 -19.081 -19.081 401 1HB PHE 53 HB2 PHE 53 8.030 -18.143 -18.143 402 2HB PHE 53 HB1 PHE 53 7.602 -16.899 -16.899 403 HD1 PHE 53 HD1 PHE 53 8.015 -20.630 -20.630 404 HD2 PHE 53 HD2 PHE 53 5.651 -17.276 -17.276 405 HE1 PHE 53 HE1 PHE 53 6.400 -22.175 -22.175 406 HE2 PHE 53 HE2 PHE 53 4.032 -18.815 -18.815 407 HZ PHE 53 HZ PHE 53 4.409 -21.272 -21.272 408 H LEU 54 HN LEU 54 7.797 -16.484 -16.484 409 HA LEU 54 HA LEU 54 7.523 -17.830 -17.830 410 1HB LEU 54 HB2 LEU 54 6.729 -15.764 -15.764 411 2HB LEU 54 HB1 LEU 54 6.146 -15.898 -15.898 412 HG LEU 54 HG LEU 54 6.816 -13.685 -13.685 413 1HD1 LEU 54 HD11 LEU 54 8.056 -14.801 -14.801 414 2HD1 LEU 54 HD13 LEU 54 9.415 -15.062 -15.062 415 3HD1 LEU 54 HD12 LEU 54 8.943 -13.424 -13.424 416 1HD2 LEU 54 HD21 LEU 54 7.758 -13.943 -13.943 417 2HD2 LEU 54 HD23 LEU 54 8.526 -12.734 -12.734 418 3HD2 LEU 54 HD22 LEU 54 9.306 -14.292 -14.292 419 H LEU 55 HN LEU 55 10.387 -16.727 -16.727 420 HA LEU 55 HA LEU 55 11.587 -15.996 -15.996 421 1HB LEU 55 HB2 LEU 55 12.142 -15.001 -15.001 422 2HB LEU 55 HB1 LEU 55 13.122 -16.450 -16.450 423 HG LEU 55 HG LEU 55 13.375 -14.479 -14.479 424 1HD1 LEU 55 HD12 LEU 55 14.805 -14.783 -14.783 425 2HD1 LEU 55 HD11 LEU 55 15.625 -14.069 -14.069 426 3HD1 LEU 55 HD13 LEU 55 14.165 -13.316 -13.316 427 1HD2 LEU 55 HD23 LEU 55 14.683 -17.078 -17.078 428 2HD2 LEU 55 HD22 LEU 55 14.313 -16.411 -16.411 429 3HD2 LEU 55 HD21 LEU 55 15.705 -15.816 -15.816 430 H LEU 56 HN LEU 56 11.576 -18.644 -18.644 431 HA LEU 56 HA LEU 56 13.644 -20.175 -20.175 432 1HB LEU 56 HB2 LEU 56 13.150 -21.834 -21.834 433 2HB LEU 56 HB1 LEU 56 12.416 -20.448 -20.448 434 HG LEU 56 HG LEU 56 10.287 -21.235 -21.235 435 1HD1 LEU 56 HD13 LEU 56 12.034 -23.684 -23.684 436 2HD1 LEU 56 HD12 LEU 56 10.284 -23.807 -23.807 437 3HD1 LEU 56 HD11 LEU 56 11.248 -23.133 -23.133 438 1HD2 LEU 56 HD22 LEU 56 10.510 -20.989 -20.989 439 2HD2 LEU 56 HD21 LEU 56 9.478 -22.330 -22.330 440 3HD2 LEU 56 HD23 LEU 56 11.126 -22.640 -22.640 441 H LYS 57 HN LYS 57 10.200 -19.948 -19.948 442 HA LYS 57 HA LYS 57 10.247 -22.136 -22.136 443 1HB LYS 57 HB2 LYS 57 8.334 -19.970 -19.970 444 2HB LYS 57 HB1 LYS 57 8.229 -20.533 -20.533 445 1HG LYS 57 HG2 LYS 57 6.713 -21.872 -21.872 446 2HG LYS 57 HG1 LYS 57 8.091 -22.891 -22.891 447 1HD LYS 57 HD2 LYS 57 8.962 -22.813 -22.813 448 2HD LYS 57 HD1 LYS 57 8.075 -21.346 -21.346 449 1HE LYS 57 HE2 LYS 57 6.781 -24.038 -24.038 450 2HE LYS 57 HE1 LYS 57 7.131 -23.401 -23.401 451 1HZ LYS 57 HZ3 LYS 57 5.768 -21.467 -21.467 452 2HZ LYS 57 HZ2 LYS 57 4.889 -22.920 -22.920 453 3HZ LYS 57 HZ1 LYS 57 5.310 -22.165 -22.165 454 H GLY 58 HN GLY 58 9.201 -19.115 -19.115 455 1HA GLY 58 HA2 GLY 58 11.193 -19.258 -19.258 456 2HA GLY 58 HA1 GLY 58 10.027 -17.948 -17.948 457 H ALA 59 HN ALA 59 11.202 -16.040 -16.040 458 HA ALA 59 HA ALA 59 12.709 -15.607 -15.607 459 1HB ALA 59 HB3 ALA 59 14.396 -16.349 -16.349 460 2HB ALA 59 HB2 ALA 59 15.022 -15.388 -15.388 461 3HB ALA 59 HB1 ALA 59 14.451 -17.032 -17.032 462 H ASP 60 HN ASP 60 11.299 -13.747 -13.747 463 HA ASP 60 HA ASP 60 11.854 -11.858 -11.858 464 1HB ASP 60 HB2 ASP 60 9.639 -11.884 -11.884 465 2HB ASP 60 HB1 ASP 60 10.372 -11.523 -11.523 466 H ILE 61 HN ILE 61 13.664 -12.982 -12.982 467 HA ILE 61 HA ILE 61 14.691 -10.940 -10.940 468 HB ILE 61 HB ILE 61 15.309 -13.418 -13.418 469 1HG1 ILE 61 HG12 ILE 61 17.435 -11.267 -11.267 470 2HG1 ILE 61 HG11 ILE 61 16.526 -11.993 -11.993 471 1HG2 ILE 61 HG22 ILE 61 15.847 -13.207 -13.207 472 2HG2 ILE 61 HG21 ILE 61 17.392 -12.537 -12.537 473 3HG2 ILE 61 HG23 ILE 61 16.941 -14.178 -14.178 474 1HD1 ILE 61 HD12 ILE 61 17.618 -14.227 -14.227 475 2HD1 ILE 61 HD11 ILE 61 18.861 -13.061 -13.061 476 3HD1 ILE 61 HD13 ILE 61 18.418 -13.266 -13.266 477 H ASN 62 HN ASN 62 14.934 -11.356 -11.356 478 HA ASN 62 HA ASN 62 16.622 -8.927 -8.927 479 1HB ASN 62 HB2 ASN 62 17.990 -10.052 -10.052 480 2HB ASN 62 HB1 ASN 62 18.195 -10.760 -10.760 481 1HD2 ASN 62 HD21 ASN 62 15.215 -11.821 -11.821 482 2HD2 ASN 62 HD22 ASN 62 15.537 -13.267 -13.267 483 H ALA 63 HN ALA 63 14.385 -11.138 -11.138 484 HA ALA 63 HA ALA 63 13.855 -10.564 -10.564 485 1HB ALA 63 HB1 ALA 63 12.258 -11.723 -11.723 486 2HB ALA 63 HB3 ALA 63 11.747 -10.201 -10.201 487 3HB ALA 63 HB2 ALA 63 11.447 -10.510 -10.510 488 HA PRO 64 HA PRO 64 11.669 -6.079 -6.079 489 1HB PRO 64 HB2 PRO 64 14.460 -5.500 -5.500 490 2HB PRO 64 HB1 PRO 64 12.927 -4.779 -4.779 491 1HG PRO 64 HG2 PRO 64 14.247 -6.943 -6.943 492 2HG PRO 64 HG1 PRO 64 12.567 -6.458 -6.458 493 1HD PRO 64 HD2 PRO 64 13.395 -8.911 -8.911 494 2HD PRO 64 HD1 PRO 64 11.752 -8.240 -8.240 495 H ASP 65 HN ASP 65 11.515 -4.836 -4.836 496 HA ASP 65 HA ASP 65 13.786 -4.339 -4.339 497 1HB ASP 65 HB2 ASP 65 11.101 -5.553 -5.553 498 2HB ASP 65 HB1 ASP 65 11.983 -4.619 -4.619 499 H LYS 66 HN LYS 66 10.466 -3.616 -3.616 500 HA LYS 66 HA LYS 66 10.536 -0.944 -0.944 501 1HB LYS 66 HB2 LYS 66 8.512 -2.547 -2.547 502 2HB LYS 66 HB1 LYS 66 8.416 -2.019 -2.019 503 1HG LYS 66 HG2 LYS 66 7.075 -0.443 -0.443 504 2HG LYS 66 HG1 LYS 66 8.618 0.387 0.387 505 1HD LYS 66 HD2 LYS 66 8.912 -0.551 -0.551 506 2HD LYS 66 HD1 LYS 66 7.286 -1.225 -1.225 507 1HE LYS 66 HE2 LYS 66 7.190 0.915 0.915 508 2HE LYS 66 HE1 LYS 66 6.400 1.070 1.070 509 1HZ LYS 66 HZ1 LYS 66 9.265 1.687 1.687 510 2HZ LYS 66 HZ3 LYS 66 8.115 2.834 2.834 511 3HZ LYS 66 HZ2 LYS 66 8.133 2.283 2.283 512 H HIS 67 HN HIS 67 10.878 -2.457 -2.457 513 HA HIS 67 HA HIS 67 10.798 0.106 0.106 514 1HB HIS 67 HB2 HIS 67 11.059 -2.769 -2.769 515 2HB HIS 67 HB1 HIS 67 11.912 -1.656 -1.656 516 HD1 HIS 67 HD1 HIS 67 10.453 -1.037 -1.037 517 HD2 HIS 67 HD2 HIS 67 8.264 -1.465 -1.465 518 HE1 HIS 67 HE1 HIS 67 8.047 -0.479 -0.479 519 H HIS 68 HN HIS 68 13.018 -1.598 -1.598 520 HA HIS 68 HA HIS 68 15.357 -1.456 -1.456 521 1HB HIS 68 HB2 HIS 68 14.848 1.337 1.337 522 2HB HIS 68 HB1 HIS 68 16.213 0.821 0.821 523 HD1 HIS 68 HD1 HIS 68 13.228 2.620 2.620 524 HD2 HIS 68 HD2 HIS 68 14.947 -0.494 -0.494 525 HE1 HIS 68 HE1 HIS 68 12.172 2.686 2.686 526 H ILE 69 HN ILE 69 14.259 -2.429 -2.429 527 HA ILE 69 HA ILE 69 16.683 -1.895 -1.895 528 HB ILE 69 HB ILE 69 14.271 -0.552 -0.552 529 1HG1 ILE 69 HG12 ILE 69 16.600 0.202 0.202 530 2HG1 ILE 69 HG11 ILE 69 15.587 0.350 0.350 531 1HG2 ILE 69 HG23 ILE 69 14.918 -2.676 -2.676 532 2HG2 ILE 69 HG22 ILE 69 13.797 -1.340 -1.340 533 3HG2 ILE 69 HG21 ILE 69 13.442 -2.593 -2.593 534 1HD1 ILE 69 HD13 ILE 69 16.532 -2.101 -2.101 535 2HD1 ILE 69 HD12 ILE 69 17.856 -1.531 -1.531 536 3HD1 ILE 69 HD11 ILE 69 17.425 -0.660 -0.660 537 H THR 70 HN THR 70 17.020 -3.170 -3.170 538 HA THR 70 HA THR 70 15.949 -5.922 -5.922 539 HB THR 70 HB THR 70 18.161 -6.550 -6.550 540 HG1 THR 70 HG1 THR 70 19.398 -4.644 -4.644 541 1HG2 THR 70 HG23 THR 70 18.032 -4.727 -4.727 542 2HG2 THR 70 HG22 THR 70 18.717 -3.630 -3.630 543 3HG2 THR 70 HG21 THR 70 19.639 -5.037 -5.037 544 HA PRO 71 HA PRO 71 13.876 -4.314 -4.314 545 1HB PRO 71 HB2 PRO 71 13.085 -7.070 -7.070 546 2HB PRO 71 HB1 PRO 71 12.064 -5.691 -5.691 547 1HG PRO 71 HG2 PRO 71 12.583 -7.862 -7.862 548 2HG PRO 71 HG1 PRO 71 12.041 -6.269 -6.269 549 1HD PRO 71 HD2 PRO 71 14.732 -7.495 -7.495 550 2HD PRO 71 HD1 PRO 71 14.016 -6.173 -6.173 551 H LEU 72 HN LEU 72 16.453 -6.592 -6.592 552 HA LEU 72 HA LEU 72 16.549 -7.148 -7.148 553 1HB LEU 72 HB2 LEU 72 19.137 -6.466 -6.466 554 2HB LEU 72 HB1 LEU 72 18.727 -7.860 -7.860 555 HG LEU 72 HG LEU 72 18.977 -8.783 -8.783 556 1HD1 LEU 72 HD13 LEU 72 16.525 -8.928 -8.928 557 2HD1 LEU 72 HD12 LEU 72 16.083 -8.282 -8.282 558 3HD1 LEU 72 HD11 LEU 72 16.969 -9.798 -9.798 559 1HD2 LEU 72 HD23 LEU 72 18.046 -6.143 -6.143 560 2HD2 LEU 72 HD22 LEU 72 19.152 -7.261 -7.261 561 3HD2 LEU 72 HD21 LEU 72 17.407 -7.461 -7.461 562 H LEU 73 HN LEU 73 17.250 -4.293 -4.293 563 HA LEU 73 HA LEU 73 18.431 -2.756 -2.756 564 1HB LEU 73 HB2 LEU 73 17.127 -1.939 -1.939 565 2HB LEU 73 HB1 LEU 73 17.871 -0.800 -0.800 566 HG LEU 73 HG LEU 73 19.953 -2.437 -2.437 567 1HD1 LEU 73 HD12 LEU 73 18.452 -2.901 -2.901 568 2HD1 LEU 73 HD11 LEU 73 20.128 -3.371 -3.371 569 3HD1 LEU 73 HD13 LEU 73 18.825 -4.117 -4.117 570 1HD2 LEU 73 HD23 LEU 73 19.859 -0.046 -0.046 571 2HD2 LEU 73 HD22 LEU 73 20.832 -1.044 -1.044 572 3HD2 LEU 73 HD21 LEU 73 19.198 -0.566 -0.566 573 H SER 74 HN SER 74 15.230 -3.580 -3.580 574 HA SER 74 HA SER 74 13.724 -1.508 -1.508 575 1HB SER 74 HB2 SER 74 12.836 -3.316 -3.316 576 2HB SER 74 HB1 SER 74 12.906 -4.414 -4.414 577 HG SER 74 HG SER 74 11.561 -2.837 -2.837 578 H ALA 75 HN ALA 75 14.800 -4.569 -4.569 579 HA ALA 75 HA ALA 75 13.551 -3.964 -3.964 580 1HB ALA 75 HB2 ALA 75 15.695 -5.902 -5.902 581 2HB ALA 75 HB1 ALA 75 15.242 -5.719 -5.719 582 3HB ALA 75 HB3 ALA 75 14.042 -6.241 -6.241 583 H VAL 76 HN VAL 76 16.713 -3.273 -3.273 584 HA VAL 76 HA VAL 76 18.224 -2.551 -2.551 585 HB VAL 76 HB VAL 76 17.925 -1.025 -1.025 586 1HG1 VAL 76 HG11 VAL 76 20.074 -0.991 -0.991 587 2HG1 VAL 76 HG13 VAL 76 20.302 -0.344 -0.344 588 3HG1 VAL 76 HG12 VAL 76 19.094 0.366 0.366 589 1HG2 VAL 76 HG22 VAL 76 19.658 -3.346 -3.346 590 2HG2 VAL 76 HG21 VAL 76 18.455 -3.332 -3.332 591 3HG2 VAL 76 HG23 VAL 76 19.956 -2.423 -2.423 592 H TYR 77 HN TYR 77 16.153 -0.202 -0.202 593 HA TYR 77 HA TYR 77 16.261 1.677 1.677 594 1HB TYR 77 HB2 TYR 77 14.028 1.834 1.834 595 2HB TYR 77 HB1 TYR 77 15.089 3.108 3.108 596 HD1 TYR 77 HD2 TYR 77 17.344 3.436 3.436 597 HD2 TYR 77 HD1 TYR 77 14.637 0.467 0.467 598 HE1 TYR 77 HE2 TYR 77 18.688 3.269 3.269 599 HE2 TYR 77 HE1 TYR 77 15.993 0.307 0.307 600 HH TYR 77 HH TYR 77 18.127 2.523 2.523 601 H GLU 78 HN GLU 78 15.436 -0.884 -0.884 602 HA GLU 78 HA GLU 78 12.640 -0.282 -0.282 603 1HB GLU 78 HB2 GLU 78 13.006 -2.243 -2.243 604 2HB GLU 78 HB1 GLU 78 13.647 -3.107 -3.107 605 1HG GLU 78 HG2 GLU 78 11.335 -3.651 -3.651 606 2HG GLU 78 HG1 GLU 78 11.491 -2.429 -2.429 607 H GLY 79 HN GLY 79 15.827 -1.564 -1.564 608 1HA GLY 79 HA2 GLY 79 16.853 -1.613 -1.613 609 2HA GLY 79 HA1 GLY 79 15.281 -1.229 -1.229 610 H HIS 80 HN HIS 80 14.567 -3.499 -3.499 611 HA HIS 80 HA HIS 80 14.365 -5.635 -5.635 612 1HB HIS 80 HB2 HIS 80 13.483 -5.178 -5.178 613 2HB HIS 80 HB1 HIS 80 13.673 -6.857 -6.857 614 HD1 HIS 80 HD1 HIS 80 11.512 -7.774 -7.774 615 HD2 HIS 80 HD2 HIS 80 11.899 -3.744 -3.744 616 HE1 HIS 80 HE1 HIS 80 9.391 -7.137 -7.137 617 H VAL 81 HN VAL 81 15.764 -5.403 -5.403 618 HA VAL 81 HA VAL 81 17.392 -6.766 -6.766 619 HB VAL 81 HB VAL 81 19.629 -6.239 -6.239 620 1HG1 VAL 81 HG13 VAL 81 17.743 -4.642 -4.642 621 2HG1 VAL 81 HG12 VAL 81 18.914 -3.663 -3.663 622 3HG1 VAL 81 HG11 VAL 81 19.470 -4.915 -4.915 623 1HG2 VAL 81 HG22 VAL 81 18.415 -5.660 -5.660 624 2HG2 VAL 81 HG21 VAL 81 19.434 -4.354 -4.354 625 3HG2 VAL 81 HG23 VAL 81 17.689 -4.290 -4.290 626 H SER 82 HN SER 82 15.842 -8.118 -8.118 627 HA SER 82 HA SER 82 17.789 -10.073 -10.073 628 1HB SER 82 HB2 SER 82 16.031 -10.277 -10.277 629 2HB SER 82 HB1 SER 82 14.923 -9.471 -9.471 630 HG SER 82 HG SER 82 15.403 -12.147 -12.147 631 H CYS 83 HN CYS 83 15.912 -9.283 -9.283 632 HA CYS 83 HA CYS 83 15.889 -11.953 -11.953 633 1HB CYS 83 HB2 CYS 83 14.532 -11.011 -11.011 634 2HB CYS 83 HB1 CYS 83 14.088 -10.102 -10.102 635 HG CYS 83 HG CYS 83 15.227 -8.870 -8.870 636 H VAL 84 HN VAL 84 17.559 -8.779 -8.779 637 HA VAL 84 HA VAL 84 18.934 -9.462 -9.462 638 HB VAL 84 HB VAL 84 20.882 -8.128 -8.128 639 1HG1 VAL 84 HG13 VAL 84 18.914 -7.064 -7.064 640 2HG1 VAL 84 HG12 VAL 84 18.187 -6.824 -6.824 641 3HG1 VAL 84 HG11 VAL 84 19.693 -6.005 -6.005 642 1HG2 VAL 84 HG21 VAL 84 19.214 -8.042 -8.042 643 2HG2 VAL 84 HG23 VAL 84 20.850 -8.675 -8.675 644 3HG2 VAL 84 HG22 VAL 84 20.550 -6.942 -6.942 645 H LYS 85 HN LYS 85 19.790 -10.277 -10.277 646 HA LYS 85 HA LYS 85 22.121 -11.782 -11.782 647 1HB LYS 85 HB2 LYS 85 20.214 -11.362 -11.362 648 2HB LYS 85 HB1 LYS 85 20.646 -13.063 -13.063 649 1HG LYS 85 HG2 LYS 85 22.283 -12.160 -12.160 650 2HG LYS 85 HG1 LYS 85 23.105 -12.193 -12.193 651 1HD LYS 85 HD2 LYS 85 22.418 -9.817 -9.817 652 2HD LYS 85 HD1 LYS 85 21.727 -9.803 -9.803 653 1HE LYS 85 HE2 LYS 85 24.620 -10.036 -10.036 654 2HE LYS 85 HE1 LYS 85 23.880 -8.903 -8.903 655 1HZ LYS 85 HZ2 LYS 85 23.298 -10.984 -10.984 656 2HZ LYS 85 HZ1 LYS 85 24.462 -11.772 -11.772 657 3HZ LYS 85 HZ3 LYS 85 24.914 -10.460 -10.460 658 H LEU 86 HN LEU 86 18.807 -12.903 -12.903 659 HA LEU 86 HA LEU 86 19.100 -15.620 -15.620 660 1HB LEU 86 HB2 LEU 86 17.152 -14.097 -14.097 661 2HB LEU 86 HB1 LEU 86 16.594 -14.102 -14.102 662 HG LEU 86 HG LEU 86 17.175 -16.568 -16.568 663 1HD1 LEU 86 HD11 LEU 86 15.170 -15.238 -15.238 664 2HD1 LEU 86 HD13 LEU 86 14.551 -15.387 -15.387 665 3HD1 LEU 86 HD12 LEU 86 14.747 -16.825 -16.825 666 1HD2 LEU 86 HD21 LEU 86 16.293 -16.105 -16.105 667 2HD2 LEU 86 HD23 LEU 86 17.520 -17.219 -17.219 668 3HD2 LEU 86 HD22 LEU 86 15.810 -17.571 -17.571 669 H LEU 87 HN LEU 87 19.109 -12.715 -12.715 670 HA LEU 87 HA LEU 87 18.054 -13.914 -13.914 671 1HB LEU 87 HB2 LEU 87 18.731 -11.284 -11.284 672 2HB LEU 87 HB1 LEU 87 19.308 -11.504 -11.504 673 HG LEU 87 HG LEU 87 16.528 -12.356 -12.356 674 1HD1 LEU 87 HD12 LEU 87 17.472 -9.583 -9.583 675 2HD1 LEU 87 HD11 LEU 87 15.796 -10.106 -10.106 676 3HD1 LEU 87 HD13 LEU 87 16.546 -10.079 -10.079 677 1HD2 LEU 87 HD23 LEU 87 17.596 -13.029 -13.029 678 2HD2 LEU 87 HD22 LEU 87 16.112 -12.091 -12.091 679 3HD2 LEU 87 HD21 LEU 87 17.680 -11.319 -11.319 680 H LEU 88 HN LEU 88 21.297 -12.316 -12.316 681 HA LEU 88 HA LEU 88 22.254 -13.425 -13.425 682 1HB LEU 88 HB2 LEU 88 24.498 -12.998 -12.998 683 2HB LEU 88 HB1 LEU 88 23.511 -11.708 -11.708 684 HG LEU 88 HG LEU 88 25.020 -12.350 -12.350 685 1HD1 LEU 88 HD12 LEU 88 22.575 -12.115 -12.115 686 2HD1 LEU 88 HD11 LEU 88 22.501 -13.876 -13.876 687 3HD1 LEU 88 HD13 LEU 88 23.556 -13.018 -13.018 688 1HD2 LEU 88 HD21 LEU 88 25.168 -14.787 -14.787 689 2HD2 LEU 88 HD23 LEU 88 25.817 -14.449 -14.449 690 3HD2 LEU 88 HD22 LEU 88 24.231 -15.198 -15.198 691 H SER 89 HN SER 89 21.443 -15.093 -15.093 692 HA SER 89 HA SER 89 23.190 -17.338 -17.338 693 1HB SER 89 HB2 SER 89 21.584 -17.085 -17.085 694 2HB SER 89 HB1 SER 89 20.240 -17.215 -17.215 695 HG SER 89 HG SER 89 20.827 -19.194 -19.194 696 H LYS 90 HN LYS 90 20.894 -16.047 -16.047 697 HA LYS 90 HA LYS 90 20.741 -18.548 -18.548 698 1HB LYS 90 HB2 LYS 90 18.907 -16.160 -16.160 699 2HB LYS 90 HB1 LYS 90 18.782 -17.269 -17.269 700 1HG LYS 90 HG2 LYS 90 18.380 -19.134 -19.134 701 2HG LYS 90 HG1 LYS 90 18.704 -18.153 -18.153 702 1HD LYS 90 HD2 LYS 90 16.582 -17.118 -17.118 703 2HD LYS 90 HD1 LYS 90 16.194 -18.615 -18.615 704 1HE LYS 90 HE2 LYS 90 17.330 -16.213 -16.213 705 2HE LYS 90 HE1 LYS 90 15.596 -16.432 -16.432 706 1HZ LYS 90 HZ2 LYS 90 17.243 -18.599 -18.599 707 2HZ LYS 90 HZ1 LYS 90 16.682 -17.336 -17.336 708 3HZ LYS 90 HZ3 LYS 90 15.575 -18.324 -18.324 709 H GLY 91 HN GLY 91 21.819 -15.276 -15.276 710 1HA GLY 91 HA2 GLY 91 23.738 -15.005 -15.005 711 2HA GLY 91 HA1 GLY 91 22.422 -15.224 -15.224 712 H ALA 92 HN ALA 92 20.867 -13.562 -13.562 713 HA ALA 92 HA ALA 92 20.315 -11.279 -11.279 714 1HB ALA 92 HB2 ALA 92 20.240 -12.111 -12.111 715 2HB ALA 92 HB1 ALA 92 20.606 -10.390 -10.390 716 3HB ALA 92 HB3 ALA 92 19.140 -11.035 -11.035 717 H ASP 93 HN ASP 93 23.405 -12.094 -12.094 718 HA ASP 93 HA ASP 93 25.419 -10.860 -10.860 719 1HB ASP 93 HB2 ASP 93 23.588 -9.393 -9.393 720 2HB ASP 93 HB1 ASP 93 25.194 -8.772 -8.772 721 H LYS 94 HN LYS 94 24.075 -7.794 -7.794 722 HA LYS 94 HA LYS 94 23.372 -7.103 -7.103 723 1HB LYS 94 HB2 LYS 94 25.401 -5.356 -5.356 724 2HB LYS 94 HB1 LYS 94 25.574 -6.966 -6.966 725 1HG LYS 94 HG2 LYS 94 26.865 -7.748 -7.748 726 2HG LYS 94 HG1 LYS 94 26.083 -6.716 -6.716 727 1HD LYS 94 HD2 LYS 94 27.960 -5.688 -5.688 728 2HD LYS 94 HD1 LYS 94 28.463 -6.070 -6.070 729 1HE LYS 94 HE2 LYS 94 26.396 -4.475 -4.475 730 2HE LYS 94 HE1 LYS 94 26.767 -3.816 -3.816 731 1HZ LYS 94 HZ3 LYS 94 29.194 -3.938 -3.938 732 2HZ LYS 94 HZ2 LYS 94 28.351 -3.776 -3.776 733 3HZ LYS 94 HZ1 LYS 94 28.188 -2.597 -2.597 734 H THR 95 HN THR 95 24.873 -5.643 -5.643 735 HA THR 95 HA THR 95 22.454 -3.902 -3.902 736 HB THR 95 HB THR 95 23.791 -2.093 -2.093 737 HG1 THR 95 HG1 THR 95 26.081 -2.402 -2.402 738 1HG2 THR 95 HG23 THR 95 24.627 -3.346 -3.346 739 2HG2 THR 95 HG22 THR 95 25.800 -2.218 -2.218 740 3HG2 THR 95 HG21 THR 95 24.158 -1.678 -1.678 741 H VAL 96 HN VAL 96 22.215 -6.212 -6.212 742 HA VAL 96 HA VAL 96 23.634 -6.605 -6.605 743 HB VAL 96 HB VAL 96 21.960 -8.113 -8.113 744 1HG1 VAL 96 HG13 VAL 96 20.025 -7.242 -7.242 745 2HG1 VAL 96 HG12 VAL 96 20.730 -8.014 -8.014 746 3HG1 VAL 96 HG11 VAL 96 20.206 -8.994 -8.994 747 1HG2 VAL 96 HG23 VAL 96 23.954 -8.884 -8.884 748 2HG2 VAL 96 HG22 VAL 96 22.580 -9.971 -9.971 749 3HG2 VAL 96 HG21 VAL 96 23.008 -8.835 -8.835 750 H LYS 97 HN LYS 97 21.379 -4.287 -4.287 751 HA LYS 97 HA LYS 97 21.038 -3.633 -3.633 752 1HB LYS 97 HB2 LYS 97 19.111 -5.417 -5.417 753 2HB LYS 97 HB1 LYS 97 18.302 -3.882 -3.882 754 1HG LYS 97 HG2 LYS 97 20.060 -5.286 -5.286 755 2HG LYS 97 HG1 LYS 97 18.312 -5.501 -5.501 756 1HD LYS 97 HD2 LYS 97 19.429 -2.709 -2.709 757 2HD LYS 97 HD1 LYS 97 19.345 -3.663 -3.663 758 1HE LYS 97 HE2 LYS 97 16.936 -4.046 -4.046 759 2HE LYS 97 HE1 LYS 97 17.021 -3.063 -3.063 760 1HZ LYS 97 HZ1 LYS 97 18.015 -1.921 -1.921 761 2HZ LYS 97 HZ3 LYS 97 16.337 -2.030 -2.030 762 3HZ LYS 97 HZ2 LYS 97 17.280 -1.153 -1.153 763 H GLY 98 HN GLY 98 20.984 -2.692 -2.692 764 1HA GLY 98 HA2 GLY 98 19.167 -0.430 -0.430 765 2HA GLY 98 HA1 GLY 98 20.392 -0.662 -0.662 766 HA PRO 99 HA PRO 99 21.408 3.033 3.033 767 1HB PRO 99 HB2 PRO 99 22.493 3.683 3.683 768 2HB PRO 99 HB1 PRO 99 21.705 4.766 4.766 769 1HG PRO 99 HG2 PRO 99 20.422 3.750 3.750 770 2HG PRO 99 HG1 PRO 99 19.569 4.181 4.181 771 1HD PRO 99 HD2 PRO 99 20.045 1.508 1.508 772 2HD PRO 99 HD1 PRO 99 18.964 1.977 1.977 773 H ASP 100 HN ASP 100 23.412 2.011 2.011 774 HA ASP 100 HA ASP 100 25.264 0.556 0.556 775 1HB ASP 100 HB2 ASP 100 25.792 2.998 2.998 776 2HB ASP 100 HB1 ASP 100 26.333 3.157 3.157 777 H GLY 101 HN GLY 101 27.373 1.683 1.683 778 1HA GLY 101 HA2 GLY 101 27.233 -0.417 -0.417 779 2HA GLY 101 HA1 GLY 101 28.182 1.053 1.053 780 H LEU 102 HN LEU 102 24.975 1.964 1.964 781 HA LEU 102 HA LEU 102 24.548 3.163 3.163 782 1HB LEU 102 HB2 LEU 102 22.948 3.288 3.288 783 2HB LEU 102 HB1 LEU 102 22.260 1.770 1.770 784 HG LEU 102 HG LEU 102 22.567 4.264 4.264 785 1HD1 LEU 102 HD12 LEU 102 20.191 3.157 3.157 786 2HD1 LEU 102 HD11 LEU 102 20.048 4.366 4.366 787 3HD1 LEU 102 HD13 LEU 102 20.935 4.745 4.745 788 1HD2 LEU 102 HD21 LEU 102 21.423 1.541 1.541 789 2HD2 LEU 102 HD23 LEU 102 22.381 2.569 2.569 790 3HD2 LEU 102 HD22 LEU 102 20.681 2.926 2.926 791 H THR 103 HN THR 103 22.664 0.251 0.251 792 HA THR 103 HA THR 103 21.641 -0.971 -0.971 793 HB THR 103 HB THR 103 24.512 -1.759 -1.759 794 HG1 THR 103 HG1 THR 103 22.095 -2.347 -2.347 795 1HG2 THR 103 HG22 THR 103 22.613 -2.577 -2.577 796 2HG2 THR 103 HG21 THR 103 23.398 -3.897 -3.897 797 3HG2 THR 103 HG23 THR 103 24.374 -2.684 -2.684 798 H ALA 104 HN ALA 104 24.648 -0.933 -0.933 799 HA ALA 104 HA ALA 104 23.277 0.305 0.305 800 1HB ALA 104 HB3 ALA 104 24.676 -1.878 -1.878 801 2HB ALA 104 HB2 ALA 104 26.064 -0.797 -0.797 802 3HB ALA 104 HB1 ALA 104 24.896 -0.724 -0.724 803 H LEU 105 HN LEU 105 25.837 1.035 1.035 804 HA LEU 105 HA LEU 105 27.417 2.888 2.888 805 1HB LEU 105 HB2 LEU 105 26.280 2.841 2.841 806 2HB LEU 105 HB1 LEU 105 27.359 4.124 4.124 807 HG LEU 105 HG LEU 105 28.361 2.038 2.038 808 1HD1 LEU 105 HD11 LEU 105 29.652 3.852 3.852 809 2HD1 LEU 105 HD13 LEU 105 29.552 2.953 2.953 810 3HD1 LEU 105 HD12 LEU 105 30.427 2.274 2.274 811 1HD2 LEU 105 HD22 LEU 105 27.199 0.385 0.385 812 2HD2 LEU 105 HD21 LEU 105 28.944 0.179 0.179 813 3HD2 LEU 105 HD23 LEU 105 28.192 0.955 0.955 814 H GLU 106 HN GLU 106 24.575 3.961 3.961 815 HA GLU 106 HA GLU 106 24.514 6.475 6.475 816 1HB GLU 106 HB2 GLU 106 23.590 7.273 7.273 817 2HB GLU 106 HB1 GLU 106 23.917 5.689 5.689 818 1HG GLU 106 HG2 GLU 106 21.604 6.018 6.018 819 2HG GLU 106 HG1 GLU 106 21.641 4.980 4.980 820 H ALA 107 HN ALA 107 22.898 3.442 3.442 821 HA ALA 107 HA ALA 107 20.370 4.400 4.400 822 1HB ALA 107 HB1 ALA 107 20.688 2.165 2.165 823 2HB ALA 107 HB3 ALA 107 21.580 1.701 1.701 824 3HB ALA 107 HB2 ALA 107 19.867 2.106 2.106 825 H THR 108 HN THR 108 23.137 3.270 3.270 826 HA THR 108 HA THR 108 21.771 4.603 4.603 827 HB THR 108 HB THR 108 20.792 2.368 2.368 828 HG1 THR 108 HG1 THR 108 21.557 1.631 1.631 829 1HG2 THR 108 HG22 THR 108 23.524 1.678 1.678 830 2HG2 THR 108 HG21 THR 108 22.979 0.704 0.704 831 3HG2 THR 108 HG23 THR 108 22.064 0.701 0.701 832 H ASP 109 HN ASP 109 23.116 3.237 3.237 833 HA ASP 109 HA ASP 109 26.004 3.538 3.538 834 1HB ASP 109 HB2 ASP 109 25.075 5.779 5.779 835 2HB ASP 109 HB1 ASP 109 24.609 4.958 4.958 836 H ASN 110 HN ASN 110 23.414 1.835 1.835 837 HA ASN 110 HA ASN 110 24.575 0.799 0.799 838 1HB ASN 110 HB2 ASN 110 22.715 -0.840 -0.840 839 2HB ASN 110 HB1 ASN 110 22.123 0.799 0.799 840 1HD2 ASN 110 HD21 ASN 110 23.314 -1.930 -1.930 841 2HD2 ASN 110 HD22 ASN 110 22.237 -1.681 -1.681 842 H GLN 111 HN GLN 111 25.945 -0.889 -0.889 843 HA GLN 111 HA GLN 111 27.226 -1.862 -1.862 844 1HB GLN 111 HB2 GLN 111 28.617 -1.647 -1.647 845 2HB GLN 111 HB1 GLN 111 27.456 -2.384 -2.384 846 1HG GLN 111 HG2 GLN 111 27.947 -4.573 -4.573 847 2HG GLN 111 HG1 GLN 111 28.773 -3.956 -3.956 848 1HE2 GLN 111 HE21 GLN 111 30.987 -3.309 -3.309 849 2HE2 GLN 111 HE22 GLN 111 31.855 -3.456 -3.456 850 H ALA 112 HN ALA 112 24.239 -2.664 -2.664 851 HA ALA 112 HA ALA 112 24.407 -5.586 -5.586 852 1HB ALA 112 HB3 ALA 112 22.060 -3.689 -3.689 853 2HB ALA 112 HB2 ALA 112 21.924 -5.443 -5.443 854 3HB ALA 112 HB1 ALA 112 22.517 -4.525 -4.525 855 H ILE 113 HN ILE 113 23.255 -2.990 -2.990 856 HA ILE 113 HA ILE 113 22.935 -4.578 -4.578 857 HB ILE 113 HB ILE 113 22.892 -1.609 -1.609 858 1HG1 ILE 113 HG12 ILE 113 20.471 -3.015 -3.015 859 2HG1 ILE 113 HG11 ILE 113 21.131 -3.664 -3.664 860 1HG2 ILE 113 HG21 ILE 113 23.220 -2.850 -2.850 861 2HG2 ILE 113 HG23 ILE 113 21.499 -2.520 -2.520 862 3HG2 ILE 113 HG22 ILE 113 22.655 -1.202 -1.202 863 1HD1 ILE 113 HD12 ILE 113 21.102 -0.733 -0.733 864 2HD1 ILE 113 HD11 ILE 113 19.493 -1.427 -1.427 865 3HD1 ILE 113 HD13 ILE 113 20.473 -1.866 -1.866 866 H LYS 114 HN LYS 114 25.249 -2.100 -2.100 867 HA LYS 114 HA LYS 114 26.793 -2.072 -2.072 868 1HB LYS 114 HB2 LYS 114 28.134 -1.900 -1.900 869 2HB LYS 114 HB1 LYS 114 28.486 -0.986 -0.986 870 1HG LYS 114 HG2 LYS 114 25.755 -0.449 -0.449 871 2HG LYS 114 HG1 LYS 114 26.726 -0.259 -0.259 872 1HD LYS 114 HD2 LYS 114 26.521 1.848 1.848 873 2HD LYS 114 HD1 LYS 114 28.196 1.315 1.315 874 1HE LYS 114 HE2 LYS 114 26.879 0.220 0.220 875 2HE LYS 114 HE1 LYS 114 26.796 1.979 1.979 876 1HZ LYS 114 HZ3 LYS 114 29.344 1.329 1.329 877 2HZ LYS 114 HZ2 LYS 114 29.025 0.299 0.299 878 3HZ LYS 114 HZ1 LYS 114 28.889 1.983 1.983 879 H ALA 115 HN ALA 115 26.144 -4.539 -4.539 880 HA ALA 115 HA ALA 115 28.536 -6.130 -6.130 881 1HB ALA 115 HB3 ALA 115 26.548 -6.336 -6.336 882 2HB ALA 115 HB2 ALA 115 25.831 -7.342 -7.342 883 3HB ALA 115 HB1 ALA 115 27.383 -7.789 -7.789 884 H LEU 116 HN LEU 116 25.515 -5.823 -5.823 885 HA LEU 116 HA LEU 116 25.961 -8.126 -8.126 886 1HB LEU 116 HB2 LEU 116 24.222 -5.737 -5.737 887 2HB LEU 116 HB1 LEU 116 24.661 -6.378 -6.378 888 HG LEU 116 HG LEU 116 23.291 -7.865 -7.865 889 1HD1 LEU 116 HD13 LEU 116 22.484 -6.967 -6.967 890 2HD1 LEU 116 HD12 LEU 116 21.591 -8.200 -8.200 891 3HD1 LEU 116 HD11 LEU 116 21.717 -6.565 -6.565 892 1HD2 LEU 116 HD23 LEU 116 24.790 -8.860 -8.860 893 2HD2 LEU 116 HD22 LEU 116 24.446 -9.668 -9.668 894 3HD2 LEU 116 HD21 LEU 116 23.210 -9.593 -9.593 895 H LEU 117 HN LEU 117 27.700 -5.272 -5.272 896 HA LEU 117 HA LEU 117 28.667 -5.138 -5.138 897 1HB LEU 117 HB2 LEU 117 29.973 -4.037 -4.037 898 2HB LEU 117 HB1 LEU 117 30.221 -3.506 -3.506 899 HG LEU 117 HG LEU 117 27.663 -3.254 -3.254 900 1HD1 LEU 117 HD13 LEU 117 29.573 -1.700 -1.700 901 2HD1 LEU 117 HD12 LEU 117 29.528 -1.106 -1.106 902 3HD1 LEU 117 HD11 LEU 117 28.138 -0.878 -0.878 903 1HD2 LEU 117 HD21 LEU 117 28.379 -2.768 -2.768 904 2HD2 LEU 117 HD23 LEU 117 26.921 -3.487 -3.487 905 3HD2 LEU 117 HD22 LEU 117 27.169 -1.745 -1.745 906 H GLN 118 HN GLN 118 29.878 -6.084 -6.084 907 HA GLN 118 HA GLN 118 31.912 -7.250 -7.250 908 1HB GLN 118 HB2 GLN 118 31.295 -9.673 -9.673 909 2HB GLN 118 HB1 GLN 118 30.103 -8.718 -8.718 910 1HG GLN 118 HG2 GLN 118 28.877 -9.980 -9.980 911 2HG GLN 118 HG1 GLN 118 28.961 -8.352 -8.352 912 1HE2 GLN 118 HE21 GLN 118 29.277 -8.520 -8.520 913 2HE2 GLN 118 HE22 GLN 118 30.365 -9.586 -9.586 Start of MODEL 14 1 1H MET 1 HT2 MET 1 -8.029 -15.274 -15.274 2 2H MET 1 HT1 MET 1 -8.939 -15.851 -15.851 3 3H MET 1 HT3 MET 1 -7.399 -15.189 -15.189 4 HA MET 1 HA MET 1 -8.358 -13.258 -13.258 5 1HB MET 1 HB2 MET 1 -10.865 -14.427 -14.427 6 2HB MET 1 HB1 MET 1 -10.782 -12.944 -12.944 7 1HG MET 1 HG2 MET 1 -9.812 -14.373 -14.373 8 2HG MET 1 HG1 MET 1 -10.292 -15.778 -15.778 9 1HE MET 1 HE1 MET 1 -11.320 -15.674 -15.674 10 2HE MET 1 HE3 MET 1 -11.953 -16.843 -16.843 11 3HE MET 1 HE2 MET 1 -13.056 -15.923 -15.923 12 H CYS 2 HN CYS 2 -10.278 -11.826 -11.826 13 HA CYS 2 HA CYS 2 -10.139 -10.309 -10.309 14 1HB CYS 2 HB2 CYS 2 -11.002 -12.399 -12.399 15 2HB CYS 2 HB1 CYS 2 -9.339 -12.809 -12.809 16 HG CYS 2 HG CYS 2 -10.224 -10.029 -10.029 17 H ASP 3 HN ASP 3 -8.143 -9.436 -9.436 18 HA ASP 3 HA ASP 3 -5.521 -10.198 -10.198 19 1HB ASP 3 HB2 ASP 3 -6.650 -7.483 -7.483 20 2HB ASP 3 HB1 ASP 3 -4.927 -7.807 -7.807 21 H LYS 4 HN LYS 4 -7.787 -8.000 -8.000 22 HA LYS 4 HA LYS 4 -6.237 -6.787 -6.787 23 1HB LYS 4 HB2 LYS 4 -8.993 -7.968 -7.968 24 2HB LYS 4 HB1 LYS 4 -8.250 -6.717 -6.717 25 1HG LYS 4 HG2 LYS 4 -8.033 -5.300 -5.300 26 2HG LYS 4 HG1 LYS 4 -8.977 -6.519 -6.519 27 1HD LYS 4 HD2 LYS 4 -10.840 -6.203 -6.203 28 2HD LYS 4 HD1 LYS 4 -9.904 -4.988 -4.988 29 1HE LYS 4 HE2 LYS 4 -9.748 -3.685 -3.685 30 2HE LYS 4 HE1 LYS 4 -10.897 -4.826 -4.826 31 1HZ LYS 4 HZ3 LYS 4 -12.353 -4.256 -4.256 32 2HZ LYS 4 HZ2 LYS 4 -11.313 -2.940 -2.940 33 3HZ LYS 4 HZ1 LYS 4 -12.183 -3.058 -3.058 34 H GLU 5 HN GLU 5 -8.033 -9.823 -9.823 35 HA GLU 5 HA GLU 5 -6.627 -10.302 -10.302 36 1HB GLU 5 HB2 GLU 5 -8.804 -11.401 -11.401 37 2HB GLU 5 HB1 GLU 5 -7.768 -12.504 -12.504 38 1HG GLU 5 HG2 GLU 5 -7.516 -12.041 -12.041 39 2HG GLU 5 HG1 GLU 5 -8.472 -13.342 -13.342 40 H PHE 6 HN PHE 6 -5.863 -11.220 -11.220 41 HA PHE 6 HA PHE 6 -3.850 -13.140 -13.140 42 1HB PHE 6 HB2 PHE 6 -4.737 -13.045 -13.045 43 2HB PHE 6 HB1 PHE 6 -4.195 -11.381 -11.381 44 HD1 PHE 6 HD2 PHE 6 -2.680 -14.624 -14.624 45 HD2 PHE 6 HD1 PHE 6 -2.297 -11.149 -11.149 46 HE1 PHE 6 HE2 PHE 6 -0.511 -15.468 -15.468 47 HE2 PHE 6 HE1 PHE 6 -0.127 -11.993 -11.993 48 HZ PHE 6 HZ PHE 6 0.768 -14.156 -14.156 49 H MET 7 HN MET 7 -3.521 -9.650 -9.650 50 HA MET 7 HA MET 7 -0.685 -9.765 -9.765 51 1HB MET 7 HB2 MET 7 -0.583 -7.570 -7.570 52 2HB MET 7 HB1 MET 7 -2.096 -8.046 -8.046 53 1HG MET 7 HG2 MET 7 -3.276 -7.163 -7.163 54 2HG MET 7 HG1 MET 7 -1.724 -6.488 -6.488 55 1HE MET 7 HE2 MET 7 -4.304 -6.923 -6.923 56 2HE MET 7 HE1 MET 7 -4.474 -5.406 -5.406 57 3HE MET 7 HE3 MET 7 -3.211 -6.556 -6.556 58 H TRP 8 HN TRP 8 -3.523 -8.630 -8.630 59 HA TRP 8 HA TRP 8 -2.306 -7.470 -7.470 60 1HB TRP 8 HB2 TRP 8 -4.805 -7.791 -7.791 61 2HB TRP 8 HB1 TRP 8 -4.627 -9.386 -9.386 62 HD1 TRP 8 HD1 TRP 8 -4.060 -9.515 -9.515 63 HE1 TRP 8 HE1 TRP 8 -4.343 -7.799 -7.799 64 HE3 TRP 8 HE3 TRP 8 -4.748 -5.244 -5.244 65 HZ2 TRP 8 HZ2 TRP 8 -4.815 -4.997 -4.997 66 HZ3 TRP 8 HZ3 TRP 8 -5.126 -3.074 -3.074 67 HH2 TRP 8 HH2 TRP 8 -5.161 -2.950 -2.950 68 H ALA 9 HN ALA 9 -1.884 -10.655 -10.655 69 HA ALA 9 HA ALA 9 -1.313 -11.815 -11.815 70 1HB ALA 9 HB3 ALA 9 -1.069 -12.844 -12.844 71 2HB ALA 9 HB2 ALA 9 -0.576 -13.793 -13.793 72 3HB ALA 9 HB1 ALA 9 -2.261 -13.309 -13.309 73 H LEU 10 HN LEU 10 0.607 -10.945 -10.945 74 HA LEU 10 HA LEU 10 3.160 -11.677 -11.677 75 1HB LEU 10 HB2 LEU 10 2.562 -8.989 -8.989 76 2HB LEU 10 HB1 LEU 10 4.055 -9.909 -9.909 77 HG LEU 10 HG LEU 10 1.634 -11.337 -11.337 78 1HD1 LEU 10 HD12 LEU 10 1.320 -8.895 -8.895 79 2HD1 LEU 10 HD11 LEU 10 2.784 -9.129 -9.129 80 3HD1 LEU 10 HD13 LEU 10 1.362 -10.120 -10.120 81 1HD2 LEU 10 HD21 LEU 10 4.107 -12.031 -12.031 82 2HD2 LEU 10 HD23 LEU 10 3.145 -12.135 -12.135 83 3HD2 LEU 10 HD22 LEU 10 4.244 -10.779 -10.779 84 H LYS 11 HN LYS 11 1.077 -9.233 -9.233 85 HA LYS 11 HA LYS 11 3.077 -7.621 -7.621 86 1HB LYS 11 HB2 LYS 11 0.913 -6.815 -6.815 87 2HB LYS 11 HB1 LYS 11 0.082 -7.677 -7.677 88 1HG LYS 11 HG2 LYS 11 1.594 -6.320 -6.320 89 2HG LYS 11 HG1 LYS 11 1.911 -5.284 -5.284 90 1HD LYS 11 HD2 LYS 11 -0.774 -5.877 -5.877 91 2HD LYS 11 HD1 LYS 11 0.055 -4.325 -4.325 92 1HE LYS 11 HE2 LYS 11 -0.044 -4.697 -4.697 93 2HE LYS 11 HE1 LYS 11 -1.351 -5.815 -5.815 94 1HZ LYS 11 HZ1 LYS 11 -1.887 -3.627 -3.627 95 2HZ LYS 11 HZ3 LYS 11 -1.307 -2.948 -2.948 96 3HZ LYS 11 HZ2 LYS 11 -2.632 -4.009 -4.009 97 H ASN 12 HN ASN 12 0.174 -9.177 -9.177 98 HA ASN 12 HA ASN 12 1.304 -9.090 -9.090 99 1HB ASN 12 HB2 ASN 12 -1.241 -9.813 -9.813 100 2HB ASN 12 HB1 ASN 12 -0.859 -10.845 -10.845 101 1HD2 ASN 12 HD21 ASN 12 -0.965 -7.339 -7.339 102 2HD2 ASN 12 HD22 ASN 12 -1.471 -6.827 -6.827 103 H GLY 13 HN GLY 13 2.837 -10.656 -10.656 104 1HA GLY 13 HA2 GLY 13 3.972 -12.698 -12.698 105 2HA GLY 13 HA1 GLY 13 3.688 -12.745 -12.745 106 H ASP 14 HN ASP 14 0.868 -12.623 -12.623 107 HA ASP 14 HA ASP 14 -0.036 -15.198 -15.198 108 1HB ASP 14 HB2 ASP 14 -1.272 -13.990 -13.990 109 2HB ASP 14 HB1 ASP 14 -2.020 -14.809 -14.809 110 H LEU 15 HN LEU 15 2.339 -15.552 -15.552 111 HA LEU 15 HA LEU 15 2.869 -16.122 -16.122 112 1HB LEU 15 HB2 LEU 15 4.462 -16.228 -16.228 113 2HB LEU 15 HB1 LEU 15 3.683 -17.672 -17.672 114 HG LEU 15 HG LEU 15 5.823 -17.975 -17.975 115 1HD1 LEU 15 HD13 LEU 15 3.540 -19.607 -19.607 116 2HD1 LEU 15 HD12 LEU 15 3.995 -19.674 -19.674 117 3HD1 LEU 15 HD11 LEU 15 5.167 -20.110 -20.110 118 1HD2 LEU 15 HD23 LEU 15 4.998 -16.309 -16.309 119 2HD2 LEU 15 HD22 LEU 15 5.774 -17.780 -17.780 120 3HD2 LEU 15 HD21 LEU 15 4.019 -17.635 -17.635 121 H ASP 16 HN ASP 16 0.827 -17.911 -17.911 122 HA ASP 16 HA ASP 16 0.658 -20.352 -20.352 123 1HB ASP 16 HB2 ASP 16 -1.230 -18.982 -18.982 124 2HB ASP 16 HB1 ASP 16 -1.525 -20.581 -20.581 125 H GLU 17 HN GLU 17 -0.907 -17.230 -17.230 126 HA GLU 17 HA GLU 17 -3.014 -18.161 -18.161 127 1HB GLU 17 HB2 GLU 17 -2.037 -15.500 -15.500 128 2HB GLU 17 HB1 GLU 17 -3.212 -15.578 -15.578 129 1HG GLU 17 HG2 GLU 17 -3.606 -17.037 -17.037 130 2HG GLU 17 HG1 GLU 17 -4.175 -15.388 -15.388 131 H VAL 18 HN VAL 18 -0.029 -16.211 -16.211 132 HA VAL 18 HA VAL 18 -0.269 -15.951 -15.951 133 HB VAL 18 HB VAL 18 2.474 -16.003 -16.003 134 1HG1 VAL 18 HG11 VAL 18 0.561 -13.710 -13.710 135 2HG1 VAL 18 HG13 VAL 18 2.311 -13.541 -13.541 136 3HG1 VAL 18 HG12 VAL 18 1.393 -14.101 -14.101 137 1HG2 VAL 18 HG22 VAL 18 1.832 -16.537 -16.537 138 2HG2 VAL 18 HG21 VAL 18 2.977 -15.227 -15.227 139 3HG2 VAL 18 HG23 VAL 18 1.295 -14.860 -14.860 140 H LYS 19 HN LYS 19 0.844 -18.481 -18.481 141 HA LYS 19 HA LYS 19 2.272 -20.045 -20.045 142 1HB LYS 19 HB2 LYS 19 2.460 -20.212 -20.212 143 2HB LYS 19 HB1 LYS 19 0.857 -20.943 -20.943 144 1HG LYS 19 HG2 LYS 19 1.578 -22.902 -22.902 145 2HG LYS 19 HG1 LYS 19 2.973 -22.128 -22.128 146 1HD LYS 19 HD2 LYS 19 2.779 -22.284 -22.284 147 2HD LYS 19 HD1 LYS 19 3.327 -23.685 -23.685 148 1HE LYS 19 HE2 LYS 19 4.623 -21.097 -21.097 149 2HE LYS 19 HE1 LYS 19 5.013 -21.732 -21.732 150 1HZ LYS 19 HZ1 LYS 19 5.051 -23.720 -23.720 151 2HZ LYS 19 HZ3 LYS 19 6.203 -22.494 -22.494 152 3HZ LYS 19 HZ2 LYS 19 6.183 -23.398 -23.398 153 H ASP 20 HN ASP 20 -1.113 -19.923 -19.923 154 HA ASP 20 HA ASP 20 -1.937 -22.374 -22.374 155 1HB ASP 20 HB2 ASP 20 -3.287 -20.882 -20.882 156 2HB ASP 20 HB1 ASP 20 -3.637 -19.882 -19.882 157 H TYR 21 HN TYR 21 -2.000 -19.064 -19.064 158 HA TYR 21 HA TYR 21 -2.997 -19.857 -19.857 159 1HB TYR 21 HB2 TYR 21 -1.280 -17.504 -17.504 160 2HB TYR 21 HB1 TYR 21 -1.972 -17.684 -17.684 161 HD1 TYR 21 HD1 TYR 21 -2.736 -17.161 -17.161 162 HD2 TYR 21 HD2 TYR 21 -4.361 -17.428 -17.428 163 HE1 TYR 21 HE1 TYR 21 -4.886 -16.247 -16.247 164 HE2 TYR 21 HE2 TYR 21 -6.513 -16.513 -16.513 165 HH TYR 21 HH TYR 21 -6.876 -15.431 -15.431 166 H VAL 22 HN VAL 22 0.348 -19.295 -19.295 167 HA VAL 22 HA VAL 22 1.573 -20.101 -20.101 168 HB VAL 22 HB VAL 22 2.577 -19.765 -19.765 169 1HG1 VAL 22 HG12 VAL 22 4.166 -20.448 -20.448 170 2HG1 VAL 22 HG11 VAL 22 4.883 -19.839 -19.839 171 3HG1 VAL 22 HG13 VAL 22 4.056 -21.395 -21.395 172 1HG2 VAL 22 HG21 VAL 22 1.784 -17.794 -17.794 173 2HG2 VAL 22 HG23 VAL 22 3.444 -17.684 -17.684 174 3HG2 VAL 22 HG22 VAL 22 3.131 -18.118 -18.118 175 H ALA 23 HN ALA 23 0.333 -21.822 -21.822 176 HA ALA 23 HA ALA 23 1.918 -24.186 -24.186 177 1HB ALA 23 HB1 ALA 23 -0.860 -23.578 -23.578 178 2HB ALA 23 HB3 ALA 23 -0.292 -25.246 -25.246 179 3HB ALA 23 HB2 ALA 23 0.553 -24.057 -24.057 180 H LYS 24 HN LYS 24 -0.573 -22.876 -22.876 181 HA LYS 24 HA LYS 24 -1.570 -25.224 -25.224 182 1HB LYS 24 HB2 LYS 24 -1.337 -22.370 -22.370 183 2HB LYS 24 HB1 LYS 24 -1.766 -23.579 -23.579 184 1HG LYS 24 HG2 LYS 24 -3.783 -22.582 -22.582 185 2HG LYS 24 HG1 LYS 24 -3.671 -24.311 -24.311 186 1HD LYS 24 HD2 LYS 24 -2.755 -23.881 -23.881 187 2HD LYS 24 HD1 LYS 24 -2.708 -22.148 -22.148 188 1HE LYS 24 HE2 LYS 24 -5.223 -22.286 -22.286 189 2HE LYS 24 HE1 LYS 24 -5.149 -23.908 -23.908 190 1HZ LYS 24 HZ2 LYS 24 -3.899 -21.680 -21.680 191 2HZ LYS 24 HZ1 LYS 24 -5.587 -21.852 -21.852 192 3HZ LYS 24 HZ3 LYS 24 -4.585 -23.109 -23.109 193 H GLY 25 HN GLY 25 0.679 -23.069 -23.069 194 1HA GLY 25 HA2 GLY 25 2.580 -25.216 -25.216 195 2HA GLY 25 HA1 GLY 25 1.572 -24.984 -24.984 196 H GLU 26 HN GLU 26 3.989 -23.501 -23.501 197 HA GLU 26 HA GLU 26 5.188 -21.490 -21.490 198 1HB GLU 26 HB2 GLU 26 6.515 -21.675 -21.675 199 2HB GLU 26 HB1 GLU 26 6.802 -22.828 -22.828 200 1HG GLU 26 HG2 GLU 26 6.614 -24.097 -24.097 201 2HG GLU 26 HG1 GLU 26 5.106 -24.350 -24.350 202 H ASP 27 HN ASP 27 4.012 -19.710 -19.710 203 HA ASP 27 HA ASP 27 3.540 -18.498 -18.498 204 1HB ASP 27 HB2 ASP 27 1.369 -18.887 -18.887 205 2HB ASP 27 HB1 ASP 27 1.222 -17.798 -17.798 206 H VAL 28 HN VAL 28 5.378 -18.254 -18.254 207 HA VAL 28 HA VAL 28 4.607 -15.933 -15.933 208 HB VAL 28 HB VAL 28 6.948 -16.089 -16.089 209 1HG1 VAL 28 HG12 VAL 28 5.165 -18.524 -18.524 210 2HG1 VAL 28 HG11 VAL 28 6.616 -18.486 -18.486 211 3HG1 VAL 28 HG13 VAL 28 5.308 -17.343 -17.343 212 1HG2 VAL 28 HG21 VAL 28 7.608 -17.187 -17.187 213 2HG2 VAL 28 HG23 VAL 28 8.523 -17.509 -17.509 214 3HG2 VAL 28 HG22 VAL 28 7.315 -18.667 -18.667 215 H ASN 29 HN ASN 29 4.104 -14.762 -14.762 216 HA ASN 29 HA ASN 29 6.042 -12.706 -12.706 217 1HB ASN 29 HB2 ASN 29 6.238 -13.214 -13.214 218 2HB ASN 29 HB1 ASN 29 7.267 -14.124 -14.124 219 1HD2 ASN 29 HD21 ASN 29 6.175 -16.308 -16.308 220 2HD2 ASN 29 HD22 ASN 29 5.306 -17.160 -17.160 221 H ARG 30 HN ARG 30 3.345 -12.849 -12.849 222 HA ARG 30 HA ARG 30 1.864 -11.781 -11.781 223 1HB ARG 30 HB2 ARG 30 0.851 -12.892 -12.892 224 2HB ARG 30 HB1 ARG 30 -0.168 -12.228 -12.228 225 1HG ARG 30 HG2 ARG 30 0.983 -13.950 -13.950 226 2HG ARG 30 HG1 ARG 30 1.529 -14.718 -14.718 227 1HD ARG 30 HD2 ARG 30 -0.688 -15.132 -15.132 228 2HD ARG 30 HD1 ARG 30 -1.389 -14.051 -14.051 229 HE ARG 30 HE ARG 30 -0.752 -16.855 -16.855 230 1HH1 ARG 30 HH21 ARG 30 -0.610 -13.844 -13.844 231 2HH1 ARG 30 HH22 ARG 30 -0.464 -14.574 -14.574 232 1HH2 ARG 30 HH11 ARG 30 -0.584 -17.822 -17.822 233 2HH2 ARG 30 HH12 ARG 30 -0.458 -16.838 -16.838 234 H THR 31 HN THR 31 1.623 -9.627 -9.627 235 HA THR 31 HA THR 31 2.344 -7.828 -7.828 236 HB THR 31 HB THR 31 0.262 -7.124 -7.124 237 HG1 THR 31 HG1 THR 31 1.767 -8.315 -8.315 238 1HG2 THR 31 HG21 THR 31 2.639 -5.727 -5.727 239 2HG2 THR 31 HG23 THR 31 1.719 -5.057 -5.057 240 3HG2 THR 31 HG22 THR 31 0.934 -5.329 -5.329 241 H LEU 32 HN LEU 32 1.282 -8.064 -8.064 242 HA LEU 32 HA LEU 32 -1.554 -8.708 -8.708 243 1HB LEU 32 HB2 LEU 32 -1.400 -8.503 -8.503 244 2HB LEU 32 HB1 LEU 32 -0.289 -9.658 -9.658 245 HG LEU 32 HG LEU 32 0.802 -8.461 -8.461 246 1HD1 LEU 32 HD11 LEU 32 1.959 -8.928 -8.928 247 2HD1 LEU 32 HD13 LEU 32 2.093 -7.168 -7.168 248 3HD1 LEU 32 HD12 LEU 32 2.798 -8.077 -8.077 249 1HD2 LEU 32 HD23 LEU 32 -0.733 -6.282 -6.282 250 2HD2 LEU 32 HD22 LEU 32 0.652 -6.256 -6.256 251 3HD2 LEU 32 HD21 LEU 32 0.854 -5.787 -5.787 252 H GLU 33 HN GLU 33 0.316 -5.742 -5.742 253 HA GLU 33 HA GLU 33 -2.120 -4.222 -4.222 254 1HB GLU 33 HB2 GLU 33 0.087 -3.621 -3.621 255 2HB GLU 33 HB1 GLU 33 0.669 -3.211 -3.211 256 1HG GLU 33 HG2 GLU 33 -0.868 -1.398 -1.398 257 2HG GLU 33 HG1 GLU 33 -1.822 -1.956 -1.956 258 H GLY 34 HN GLY 34 0.348 -3.384 -3.384 259 1HA GLY 34 HA2 GLY 34 -1.484 -3.630 -3.630 260 2HA GLY 34 HA1 GLY 34 -1.317 -1.956 -1.956 261 H GLY 35 HN GLY 35 1.468 -2.606 -2.606 262 1HA GLY 35 HA2 GLY 35 2.908 -3.107 -3.107 263 2HA GLY 35 HA1 GLY 35 3.068 -1.483 -1.483 264 H ARG 36 HN ARG 36 2.595 -3.774 -3.774 265 HA ARG 36 HA ARG 36 5.537 -3.917 -3.917 266 1HB ARG 36 HB2 ARG 36 3.463 -3.997 -3.997 267 2HB ARG 36 HB1 ARG 36 5.128 -3.419 -3.419 268 1HG ARG 36 HG2 ARG 36 4.208 -1.613 -1.613 269 2HG ARG 36 HG1 ARG 36 2.668 -2.011 -2.011 270 1HD ARG 36 HD2 ARG 36 3.520 -0.175 -0.175 271 2HD ARG 36 HD1 ARG 36 3.821 -1.588 -1.588 272 HE ARG 36 HE ARG 36 6.138 -1.261 -1.261 273 1HH1 ARG 36 HH21 ARG 36 4.245 0.613 0.613 274 2HH1 ARG 36 HH22 ARG 36 5.586 1.551 1.551 275 1HH2 ARG 36 HH11 ARG 36 7.891 -0.059 -0.059 276 2HH2 ARG 36 HH12 ARG 36 7.659 1.169 1.169 277 H LYS 37 HN LYS 37 6.240 -5.888 -5.888 278 HA LYS 37 HA LYS 37 4.438 -8.219 -8.219 279 1HB LYS 37 HB2 LYS 37 7.113 -9.119 -9.119 280 2HB LYS 37 HB1 LYS 37 6.255 -9.122 -9.122 281 1HG LYS 37 HG2 LYS 37 8.257 -7.884 -7.884 282 2HG LYS 37 HG1 LYS 37 6.969 -6.684 -6.684 283 1HD LYS 37 HD2 LYS 37 7.559 -6.650 -6.650 284 2HD LYS 37 HD1 LYS 37 9.073 -7.386 -7.386 285 1HE LYS 37 HE2 LYS 37 7.969 -4.679 -4.679 286 2HE LYS 37 HE1 LYS 37 9.546 -5.085 -5.085 287 1HZ LYS 37 HZ1 LYS 37 8.606 -5.804 -5.804 288 2HZ LYS 37 HZ3 LYS 37 9.701 -4.559 -4.559 289 3HZ LYS 37 HZ2 LYS 37 10.123 -6.178 -6.178 290 HA PRO 38 HA PRO 38 4.242 -9.226 -9.226 291 1HB PRO 38 HB2 PRO 38 4.785 -11.968 -11.968 292 2HB PRO 38 HB1 PRO 38 3.227 -11.238 -11.238 293 1HG PRO 38 HG2 PRO 38 5.217 -12.512 -12.512 294 2HG PRO 38 HG1 PRO 38 3.489 -12.244 -12.244 295 1HD PRO 38 HD2 PRO 38 5.608 -10.758 -10.758 296 2HD PRO 38 HD1 PRO 38 3.891 -10.308 -10.308 297 H LEU 39 HN LEU 39 7.203 -8.666 -8.666 298 HA LEU 39 HA LEU 39 8.534 -10.151 -10.151 299 1HB LEU 39 HB2 LEU 39 9.420 -10.243 -10.243 300 2HB LEU 39 HB1 LEU 39 9.920 -8.578 -8.578 301 HG LEU 39 HG LEU 39 11.692 -9.170 -9.170 302 1HD1 LEU 39 HD12 LEU 39 10.172 -11.588 -11.588 303 2HD1 LEU 39 HD11 LEU 39 11.794 -11.113 -11.113 304 3HD1 LEU 39 HD13 LEU 39 10.422 -10.075 -10.075 305 1HD2 LEU 39 HD21 LEU 39 11.706 -10.585 -10.585 306 2HD2 LEU 39 HD23 LEU 39 12.768 -11.114 -11.114 307 3HD2 LEU 39 HD22 LEU 39 11.231 -11.936 -11.936 308 H HIS 40 HN HIS 40 7.654 -7.026 -7.026 309 HA HIS 40 HA HIS 40 9.435 -5.457 -5.457 310 1HB HIS 40 HB2 HIS 40 8.374 -4.484 -4.484 311 2HB HIS 40 HB1 HIS 40 6.771 -4.820 -4.820 312 HD1 HIS 40 HD1 HIS 40 8.779 -3.839 -3.839 313 HD2 HIS 40 HD2 HIS 40 6.873 -1.746 -1.746 314 HE1 HIS 40 HE1 HIS 40 8.605 -1.448 -1.448 315 H TYR 41 HN TYR 41 6.088 -6.579 -6.579 316 HA TYR 41 HA TYR 41 5.788 -5.303 -5.303 317 1HB TYR 41 HB2 TYR 41 4.240 -7.712 -7.712 318 2HB TYR 41 HB1 TYR 41 3.699 -6.418 -6.418 319 HD1 TYR 41 HD1 TYR 41 4.563 -7.338 -7.338 320 HD2 TYR 41 HD2 TYR 41 2.929 -4.307 -4.307 321 HE1 TYR 41 HE1 TYR 41 3.740 -6.104 -6.104 322 HE2 TYR 41 HE2 TYR 41 2.117 -3.065 -3.065 323 HH TYR 41 HH TYR 41 3.153 -3.221 -3.221 324 H ALA 42 HN ALA 42 6.604 -8.542 -8.542 325 HA ALA 42 HA ALA 42 6.784 -9.763 -9.763 326 1HB ALA 42 HB2 ALA 42 6.715 -10.846 -10.846 327 2HB ALA 42 HB1 ALA 42 8.447 -10.534 -10.534 328 3HB ALA 42 HB3 ALA 42 7.779 -11.598 -11.598 329 H ALA 43 HN ALA 43 9.347 -8.639 -8.639 330 HA ALA 43 HA ALA 43 11.549 -8.665 -8.665 331 1HB ALA 43 HB3 ALA 43 10.762 -6.537 -6.537 332 2HB ALA 43 HB2 ALA 43 12.384 -6.752 -6.752 333 3HB ALA 43 HB1 ALA 43 11.671 -8.008 -8.008 334 H ASP 44 HN ASP 44 9.579 -5.758 -5.758 335 HA ASP 44 HA ASP 44 10.564 -4.129 -4.129 336 1HB ASP 44 HB2 ASP 44 9.106 -3.371 -3.371 337 2HB ASP 44 HB1 ASP 44 7.733 -4.159 -4.159 338 H CYS 45 HN CYS 45 7.884 -6.483 -6.483 339 HA CYS 45 HA CYS 45 8.276 -6.466 -6.466 340 1HB CYS 45 HB2 CYS 45 5.699 -5.518 -5.518 341 2HB CYS 45 HB1 CYS 45 5.858 -5.944 -5.944 342 HG CYS 45 HG CYS 45 6.645 -3.616 -3.616 343 H GLY 46 HN GLY 46 8.760 -8.673 -8.673 344 1HA GLY 46 HA2 GLY 46 6.215 -10.266 -10.266 345 2HA GLY 46 HA1 GLY 46 7.678 -10.681 -10.681 346 H GLN 47 HN GLN 47 7.847 -9.588 -9.588 347 HA GLN 47 HA GLN 47 8.762 -10.728 -10.728 348 1HB GLN 47 HB2 GLN 47 6.903 -12.768 -12.768 349 2HB GLN 47 HB1 GLN 47 7.830 -13.132 -13.132 350 1HG GLN 47 HG2 GLN 47 5.522 -12.235 -12.235 351 2HG GLN 47 HG1 GLN 47 6.817 -11.300 -11.300 352 1HE2 GLN 47 HE21 GLN 47 5.202 -11.302 -11.302 353 2HE2 GLN 47 HE22 GLN 47 4.983 -9.617 -9.617 354 H LEU 48 HN LEU 48 9.785 -10.935 -10.935 355 HA LEU 48 HA LEU 48 11.612 -11.739 -11.739 356 1HB LEU 48 HB2 LEU 48 12.444 -12.423 -12.423 357 2HB LEU 48 HB1 LEU 48 13.488 -12.573 -12.573 358 HG LEU 48 HG LEU 48 14.092 -10.429 -10.429 359 1HD1 LEU 48 HD12 LEU 48 11.280 -9.676 -9.676 360 2HD1 LEU 48 HD11 LEU 48 12.653 -8.583 -8.583 361 3HD1 LEU 48 HD13 LEU 48 12.652 -9.887 -9.887 362 1HD2 LEU 48 HD22 LEU 48 11.624 -10.214 -10.214 363 2HD2 LEU 48 HD21 LEU 48 13.271 -10.531 -10.531 364 3HD2 LEU 48 HD23 LEU 48 12.856 -8.955 -8.955 365 H GLU 49 HN GLU 49 9.393 -13.688 -13.688 366 HA GLU 49 HA GLU 49 10.794 -16.220 -16.220 367 1HB GLU 49 HB2 GLU 49 8.380 -17.128 -17.128 368 2HB GLU 49 HB1 GLU 49 9.548 -16.733 -16.733 369 1HG GLU 49 HG2 GLU 49 8.564 -14.509 -14.509 370 2HG GLU 49 HG1 GLU 49 7.428 -14.842 -14.842 371 H ILE 50 HN ILE 50 8.186 -14.060 -14.060 372 HA ILE 50 HA ILE 50 7.067 -15.604 -15.604 373 HB ILE 50 HB ILE 50 7.128 -12.606 -12.606 374 1HG1 ILE 50 HG12 ILE 50 5.937 -14.611 -14.611 375 2HG1 ILE 50 HG11 ILE 50 5.967 -12.871 -12.871 376 1HG2 ILE 50 HG22 ILE 50 6.401 -13.547 -13.547 377 2HG2 ILE 50 HG21 ILE 50 5.131 -14.439 -14.439 378 3HG2 ILE 50 HG23 ILE 50 5.113 -12.680 -12.680 379 1HD1 ILE 50 HD12 ILE 50 3.922 -14.099 -14.099 380 2HD1 ILE 50 HD11 ILE 50 3.659 -14.142 -14.142 381 3HD1 ILE 50 HD13 ILE 50 3.837 -12.596 -12.596 382 H LEU 51 HN LEU 51 9.559 -13.040 -13.040 383 HA LEU 51 HA LEU 51 9.720 -13.030 -13.030 384 1HB LEU 51 HB2 LEU 51 12.355 -12.611 -12.611 385 2HB LEU 51 HB1 LEU 51 11.139 -11.356 -11.356 386 HG LEU 51 HG LEU 51 12.469 -11.195 -11.195 387 1HD1 LEU 51 HD13 LEU 51 9.654 -11.213 -11.213 388 2HD1 LEU 51 HD12 LEU 51 10.082 -12.017 -12.017 389 3HD1 LEU 51 HD11 LEU 51 10.681 -10.397 -10.397 390 1HD2 LEU 51 HD23 LEU 51 12.817 -13.756 -13.756 391 2HD2 LEU 51 HD22 LEU 51 12.735 -12.919 -12.919 392 3HD2 LEU 51 HD21 LEU 51 11.333 -13.808 -13.808 393 H GLU 52 HN GLU 52 11.671 -15.035 -15.035 394 HA GLU 52 HA GLU 52 13.119 -16.472 -16.472 395 1HB GLU 52 HB2 GLU 52 11.735 -17.843 -17.843 396 2HB GLU 52 HB1 GLU 52 13.241 -18.310 -18.310 397 1HG GLU 52 HG2 GLU 52 14.299 -16.243 -16.243 398 2HG GLU 52 HG1 GLU 52 12.795 -15.787 -15.787 399 H PHE 53 HN PHE 53 9.731 -16.909 -16.909 400 HA PHE 53 HA PHE 53 9.270 -19.359 -19.359 401 1HB PHE 53 HB2 PHE 53 7.699 -18.448 -18.448 402 2HB PHE 53 HB1 PHE 53 7.358 -17.086 -17.086 403 HD1 PHE 53 HD1 PHE 53 7.501 -20.832 -20.832 404 HD2 PHE 53 HD2 PHE 53 5.433 -17.229 -17.229 405 HE1 PHE 53 HE1 PHE 53 5.780 -22.169 -22.169 406 HE2 PHE 53 HE2 PHE 53 3.724 -18.556 -18.556 407 HZ PHE 53 HZ PHE 53 3.895 -21.030 -21.030 408 H LEU 54 HN LEU 54 7.582 -16.544 -16.544 409 HA LEU 54 HA LEU 54 7.317 -17.675 -17.675 410 1HB LEU 54 HB2 LEU 54 6.462 -15.586 -15.586 411 2HB LEU 54 HB1 LEU 54 6.017 -15.737 -15.737 412 HG LEU 54 HG LEU 54 6.721 -13.511 -13.511 413 1HD1 LEU 54 HD11 LEU 54 7.606 -14.796 -14.796 414 2HD1 LEU 54 HD13 LEU 54 9.142 -14.904 -14.904 415 3HD1 LEU 54 HD12 LEU 54 8.484 -13.332 -13.332 416 1HD2 LEU 54 HD22 LEU 54 8.176 -14.257 -14.257 417 2HD2 LEU 54 HD21 LEU 54 8.409 -12.728 -12.728 418 3HD2 LEU 54 HD23 LEU 54 9.476 -14.091 -14.091 419 H LEU 55 HN LEU 55 10.128 -16.417 -16.417 420 HA LEU 55 HA LEU 55 11.445 -15.845 -15.845 421 1HB LEU 55 HB2 LEU 55 11.797 -14.619 -14.619 422 2HB LEU 55 HB1 LEU 55 12.809 -16.003 -16.003 423 HG LEU 55 HG LEU 55 13.155 -14.185 -14.185 424 1HD1 LEU 55 HD12 LEU 55 14.491 -14.357 -14.357 425 2HD1 LEU 55 HD11 LEU 55 15.361 -13.701 -13.701 426 3HD1 LEU 55 HD13 LEU 55 13.868 -12.937 -12.937 427 1HD2 LEU 55 HD21 LEU 55 14.541 -16.704 -16.704 428 2HD2 LEU 55 HD23 LEU 55 14.006 -16.257 -16.257 429 3HD2 LEU 55 HD22 LEU 55 15.433 -15.493 -15.493 430 H LEU 56 HN LEU 56 11.622 -18.120 -18.120 431 HA LEU 56 HA LEU 56 13.662 -19.819 -19.819 432 1HB LEU 56 HB2 LEU 56 12.858 -20.055 -20.055 433 2HB LEU 56 HB1 LEU 56 11.200 -20.272 -20.272 434 HG LEU 56 HG LEU 56 11.726 -22.462 -22.462 435 1HD1 LEU 56 HD13 LEU 56 14.550 -21.599 -21.599 436 2HD1 LEU 56 HD12 LEU 56 14.127 -23.309 -23.309 437 3HD1 LEU 56 HD11 LEU 56 13.917 -22.281 -22.281 438 1HD2 LEU 56 HD22 LEU 56 11.262 -22.114 -22.114 439 2HD2 LEU 56 HD21 LEU 56 12.244 -23.545 -23.545 440 3HD2 LEU 56 HD23 LEU 56 13.002 -22.072 -22.072 441 H LYS 57 HN LYS 57 10.234 -19.661 -19.661 442 HA LYS 57 HA LYS 57 10.294 -22.041 -22.041 443 1HB LYS 57 HB2 LYS 57 8.296 -19.875 -19.875 444 2HB LYS 57 HB1 LYS 57 8.122 -20.751 -20.751 445 1HG LYS 57 HG2 LYS 57 6.778 -21.922 -21.922 446 2HG LYS 57 HG1 LYS 57 8.225 -22.905 -22.905 447 1HD LYS 57 HD2 LYS 57 9.037 -21.286 -21.286 448 2HD LYS 57 HD1 LYS 57 7.313 -21.359 -21.359 449 1HE LYS 57 HE2 LYS 57 7.579 -23.930 -23.930 450 2HE LYS 57 HE1 LYS 57 9.312 -23.621 -23.621 451 1HZ LYS 57 HZ2 LYS 57 7.577 -22.306 -22.306 452 2HZ LYS 57 HZ1 LYS 57 7.768 -23.986 -23.986 453 3HZ LYS 57 HZ3 LYS 57 9.126 -22.971 -22.971 454 H GLY 58 HN GLY 58 9.014 -19.239 -19.239 455 1HA GLY 58 HA2 GLY 58 10.888 -19.546 -19.546 456 2HA GLY 58 HA1 GLY 58 9.695 -18.247 -18.247 457 H ALA 59 HN ALA 59 10.810 -16.277 -16.277 458 HA ALA 59 HA ALA 59 12.465 -15.671 -15.671 459 1HB ALA 59 HB1 ALA 59 13.888 -16.777 -16.777 460 2HB ALA 59 HB3 ALA 59 14.631 -15.407 -15.407 461 3HB ALA 59 HB2 ALA 59 14.294 -16.891 -16.891 462 H ASP 60 HN ASP 60 11.051 -13.947 -13.947 463 HA ASP 60 HA ASP 60 11.204 -12.052 -12.052 464 1HB ASP 60 HB2 ASP 60 9.112 -12.211 -12.211 465 2HB ASP 60 HB1 ASP 60 9.943 -11.953 -11.953 466 H ILE 61 HN ILE 61 13.286 -12.960 -12.960 467 HA ILE 61 HA ILE 61 14.248 -10.768 -10.768 468 HB ILE 61 HB ILE 61 14.991 -13.171 -13.171 469 1HG1 ILE 61 HG12 ILE 61 17.128 -11.032 -11.032 470 2HG1 ILE 61 HG11 ILE 61 16.228 -11.473 -11.473 471 1HG2 ILE 61 HG23 ILE 61 15.331 -13.257 -13.257 472 2HG2 ILE 61 HG22 ILE 61 16.841 -12.387 -12.387 473 3HG2 ILE 61 HG21 ILE 61 16.608 -13.988 -13.988 474 1HD1 ILE 61 HD12 ILE 61 17.213 -13.919 -13.919 475 2HD1 ILE 61 HD11 ILE 61 18.520 -12.845 -12.845 476 3HD1 ILE 61 HD13 ILE 61 17.983 -12.858 -12.858 477 H ASN 62 HN ASN 62 14.565 -11.389 -11.389 478 HA ASN 62 HA ASN 62 16.210 -8.907 -8.907 479 1HB ASN 62 HB2 ASN 62 17.379 -10.014 -10.014 480 2HB ASN 62 HB1 ASN 62 17.613 -10.907 -10.907 481 1HD2 ASN 62 HD21 ASN 62 15.247 -12.307 -12.307 482 2HD2 ASN 62 HD22 ASN 62 15.025 -13.357 -13.357 483 H ALA 63 HN ALA 63 13.696 -10.978 -10.978 484 HA ALA 63 HA ALA 63 12.844 -10.458 -10.458 485 1HB ALA 63 HB1 ALA 63 11.257 -10.049 -10.049 486 2HB ALA 63 HB3 ALA 63 10.531 -9.588 -9.588 487 3HB ALA 63 HB2 ALA 63 11.066 -11.246 -11.246 488 HA PRO 64 HA PRO 64 11.428 -5.618 -5.618 489 1HB PRO 64 HB2 PRO 64 14.307 -5.356 -5.356 490 2HB PRO 64 HB1 PRO 64 12.889 -4.449 -4.449 491 1HG PRO 64 HG2 PRO 64 14.029 -6.767 -6.767 492 2HG PRO 64 HG1 PRO 64 12.496 -5.996 -5.996 493 1HD PRO 64 HD2 PRO 64 12.724 -8.578 -8.578 494 2HD PRO 64 HD1 PRO 64 11.250 -7.590 -7.590 495 H ASP 65 HN ASP 65 11.475 -4.254 -4.254 496 HA ASP 65 HA ASP 65 13.674 -4.424 -4.424 497 1HB ASP 65 HB2 ASP 65 10.699 -4.680 -4.680 498 2HB ASP 65 HB1 ASP 65 11.828 -4.235 -4.235 499 H LYS 66 HN LYS 66 10.587 -2.714 -2.714 500 HA LYS 66 HA LYS 66 11.780 -0.197 -0.197 501 1HB LYS 66 HB2 LYS 66 9.390 -1.095 -1.095 502 2HB LYS 66 HB1 LYS 66 9.057 -0.538 -0.538 503 1HG LYS 66 HG2 LYS 66 8.566 1.385 1.385 504 2HG LYS 66 HG1 LYS 66 10.284 1.657 1.657 505 1HD LYS 66 HD2 LYS 66 10.635 0.531 0.531 506 2HD LYS 66 HD1 LYS 66 8.888 0.581 0.581 507 1HE LYS 66 HE2 LYS 66 9.605 2.550 2.550 508 2HE LYS 66 HE1 LYS 66 9.131 3.124 3.124 509 1HZ LYS 66 HZ1 LYS 66 11.776 2.270 2.270 510 2HZ LYS 66 HZ3 LYS 66 11.671 3.242 3.242 511 3HZ LYS 66 HZ2 LYS 66 11.188 3.857 3.857 512 H HIS 67 HN HIS 67 11.330 -1.866 -1.866 513 HA HIS 67 HA HIS 67 11.258 0.518 0.518 514 1HB HIS 67 HB2 HIS 67 11.898 -2.359 -2.359 515 2HB HIS 67 HB1 HIS 67 11.396 -1.085 -1.085 516 HD1 HIS 67 HD1 HIS 67 8.919 -0.124 -0.124 517 HD2 HIS 67 HD2 HIS 67 9.777 -3.682 -3.682 518 HE1 HIS 67 HE1 HIS 67 6.696 -1.111 -1.111 519 H HIS 68 HN HIS 68 13.570 -0.884 -0.884 520 HA HIS 68 HA HIS 68 15.928 -1.013 -1.013 521 1HB HIS 68 HB2 HIS 68 16.914 1.253 1.253 522 2HB HIS 68 HB1 HIS 68 15.642 1.282 1.282 523 HD1 HIS 68 HD1 HIS 68 16.040 1.823 1.823 524 HD2 HIS 68 HD2 HIS 68 13.473 2.892 2.892 525 HE1 HIS 68 HE1 HIS 68 14.336 3.420 3.420 526 H ILE 69 HN ILE 69 14.546 -1.949 -1.949 527 HA ILE 69 HA ILE 69 16.974 -1.986 -1.986 528 HB ILE 69 HB ILE 69 14.977 -0.096 -0.096 529 1HG1 ILE 69 HG12 ILE 69 17.392 -0.011 -0.011 530 2HG1 ILE 69 HG11 ILE 69 16.405 0.313 0.313 531 1HG2 ILE 69 HG23 ILE 69 13.571 -1.895 -1.895 532 2HG2 ILE 69 HG22 ILE 69 14.942 -2.365 -2.365 533 3HG2 ILE 69 HG21 ILE 69 14.206 -0.782 -0.782 534 1HD1 ILE 69 HD13 ILE 69 16.642 -2.304 -2.304 535 2HD1 ILE 69 HD12 ILE 69 18.098 -2.070 -2.070 536 3HD1 ILE 69 HD11 ILE 69 17.885 -1.190 -1.190 537 H THR 70 HN THR 70 16.891 -3.464 -3.464 538 HA THR 70 HA THR 70 14.983 -5.676 -5.676 539 HB THR 70 HB THR 70 17.031 -6.601 -6.601 540 HG1 THR 70 HG1 THR 70 17.112 -8.009 -8.009 541 1HG2 THR 70 HG23 THR 70 18.135 -4.605 -4.605 542 2HG2 THR 70 HG22 THR 70 19.144 -5.846 -5.846 543 3HG2 THR 70 HG21 THR 70 18.345 -4.637 -4.637 544 HA PRO 71 HA PRO 71 13.569 -4.937 -4.937 545 1HB PRO 71 HB2 PRO 71 13.462 -7.807 -7.807 546 2HB PRO 71 HB1 PRO 71 12.132 -6.652 -6.652 547 1HG PRO 71 HG2 PRO 71 12.631 -8.558 -8.558 548 2HG PRO 71 HG1 PRO 71 12.142 -6.922 -6.922 549 1HD PRO 71 HD2 PRO 71 14.912 -8.089 -8.089 550 2HD PRO 71 HD1 PRO 71 14.099 -7.145 -7.145 551 H LEU 72 HN LEU 72 16.619 -6.651 -6.651 552 HA LEU 72 HA LEU 72 16.812 -6.997 -6.997 553 1HB LEU 72 HB2 LEU 72 19.328 -6.081 -6.081 554 2HB LEU 72 HB1 LEU 72 19.011 -7.508 -7.508 555 HG LEU 72 HG LEU 72 19.497 -8.466 -8.466 556 1HD1 LEU 72 HD13 LEU 72 16.793 -8.605 -8.605 557 2HD1 LEU 72 HD12 LEU 72 16.765 -8.218 -8.218 558 3HD1 LEU 72 HD11 LEU 72 17.624 -9.638 -9.638 559 1HD2 LEU 72 HD22 LEU 72 19.761 -6.290 -6.290 560 2HD2 LEU 72 HD21 LEU 72 18.952 -7.480 -7.480 561 3HD2 LEU 72 HD23 LEU 72 18.019 -6.210 -6.210 562 H LEU 73 HN LEU 73 17.447 -4.157 -4.157 563 HA LEU 73 HA LEU 73 18.280 -2.546 -2.546 564 1HB LEU 73 HB2 LEU 73 17.117 -1.595 -1.595 565 2HB LEU 73 HB1 LEU 73 18.046 -0.641 -0.641 566 HG LEU 73 HG LEU 73 19.810 -2.571 -2.571 567 1HD1 LEU 73 HD13 LEU 73 17.875 -3.336 -3.336 568 2HD1 LEU 73 HD12 LEU 73 19.362 -2.896 -2.896 569 3HD1 LEU 73 HD11 LEU 73 19.394 -4.123 -4.123 570 1HD2 LEU 73 HD21 LEU 73 19.324 -0.235 -0.235 571 2HD2 LEU 73 HD23 LEU 73 20.449 -0.386 -0.386 572 3HD2 LEU 73 HD22 LEU 73 20.765 -1.241 -1.241 573 H SER 74 HN SER 74 15.215 -3.525 -3.525 574 HA SER 74 HA SER 74 13.622 -1.475 -1.475 575 1HB SER 74 HB2 SER 74 12.763 -3.277 -3.277 576 2HB SER 74 HB1 SER 74 12.871 -4.397 -4.397 577 HG SER 74 HG SER 74 11.250 -3.385 -3.385 578 H ALA 75 HN ALA 75 14.727 -4.521 -4.521 579 HA ALA 75 HA ALA 75 13.507 -3.926 -3.926 580 1HB ALA 75 HB2 ALA 75 15.657 -5.869 -5.869 581 2HB ALA 75 HB1 ALA 75 15.216 -5.670 -5.670 582 3HB ALA 75 HB3 ALA 75 14.012 -6.220 -6.220 583 H VAL 76 HN VAL 76 16.565 -3.181 -3.181 584 HA VAL 76 HA VAL 76 18.165 -2.497 -2.497 585 HB VAL 76 HB VAL 76 17.826 -1.254 -1.254 586 1HG1 VAL 76 HG13 VAL 76 19.625 -0.380 -0.380 587 2HG1 VAL 76 HG12 VAL 76 20.194 -0.270 -0.270 588 3HG1 VAL 76 HG11 VAL 76 18.746 0.602 0.602 589 1HG2 VAL 76 HG23 VAL 76 19.855 -3.064 -3.064 590 2HG2 VAL 76 HG22 VAL 76 18.707 -3.492 -3.492 591 3HG2 VAL 76 HG21 VAL 76 20.045 -2.400 -2.400 592 H TYR 77 HN TYR 77 16.245 -0.019 -0.019 593 HA TYR 77 HA TYR 77 16.404 1.781 1.781 594 1HB TYR 77 HB2 TYR 77 14.115 2.129 2.129 595 2HB TYR 77 HB1 TYR 77 15.292 3.309 3.309 596 HD1 TYR 77 HD1 TYR 77 14.701 0.576 0.576 597 HD2 TYR 77 HD2 TYR 77 17.351 3.686 3.686 598 HE1 TYR 77 HE1 TYR 77 16.023 0.350 0.350 599 HE2 TYR 77 HE2 TYR 77 18.658 3.459 3.459 600 HH TYR 77 HH TYR 77 18.988 1.296 1.296 601 H GLU 78 HN GLU 78 15.461 -0.790 -0.790 602 HA GLU 78 HA GLU 78 12.677 -0.071 -0.071 603 1HB GLU 78 HB2 GLU 78 13.099 -2.137 -2.137 604 2HB GLU 78 HB1 GLU 78 13.661 -2.909 -2.909 605 1HG GLU 78 HG2 GLU 78 11.328 -3.422 -3.422 606 2HG GLU 78 HG1 GLU 78 11.471 -2.211 -2.211 607 H GLY 79 HN GLY 79 15.756 -1.539 -1.539 608 1HA GLY 79 HA2 GLY 79 16.822 -1.421 -1.421 609 2HA GLY 79 HA1 GLY 79 15.249 -1.111 -1.111 610 H HIS 80 HN HIS 80 14.582 -3.388 -3.388 611 HA HIS 80 HA HIS 80 14.417 -5.549 -5.549 612 1HB HIS 80 HB2 HIS 80 13.659 -5.178 -5.178 613 2HB HIS 80 HB1 HIS 80 13.864 -6.824 -6.824 614 HD1 HIS 80 HD1 HIS 80 11.723 -7.765 -7.765 615 HD2 HIS 80 HD2 HIS 80 11.907 -3.727 -3.727 616 HE1 HIS 80 HE1 HIS 80 9.583 -7.248 -7.248 617 H VAL 81 HN VAL 81 16.078 -5.218 -5.218 618 HA VAL 81 HA VAL 81 17.800 -6.581 -6.581 619 HB VAL 81 HB VAL 81 19.891 -5.907 -5.907 620 1HG1 VAL 81 HG11 VAL 81 18.370 -4.632 -4.632 621 2HG1 VAL 81 HG13 VAL 81 18.769 -3.375 -3.375 622 3HG1 VAL 81 HG12 VAL 81 20.049 -4.326 -4.326 623 1HG2 VAL 81 HG23 VAL 81 18.447 -5.370 -5.370 624 2HG2 VAL 81 HG22 VAL 81 19.419 -4.003 -4.003 625 3HG2 VAL 81 HG21 VAL 81 17.705 -4.071 -4.071 626 H SER 82 HN SER 82 16.126 -7.991 -7.991 627 HA SER 82 HA SER 82 18.071 -9.965 -9.965 628 1HB SER 82 HB2 SER 82 15.199 -9.349 -9.349 629 2HB SER 82 HB1 SER 82 15.536 -11.070 -11.070 630 HG SER 82 HG SER 82 16.986 -10.940 -10.940 631 H CYS 83 HN CYS 83 16.141 -9.037 -9.037 632 HA CYS 83 HA CYS 83 15.978 -11.665 -11.665 633 1HB CYS 83 HB2 CYS 83 15.280 -9.789 -9.789 634 2HB CYS 83 HB1 CYS 83 14.150 -10.534 -10.534 635 HG CYS 83 HG CYS 83 15.491 -8.042 -8.042 636 H VAL 84 HN VAL 84 17.418 -8.471 -8.471 637 HA VAL 84 HA VAL 84 19.001 -9.032 -9.032 638 HB VAL 84 HB VAL 84 20.703 -7.499 -7.499 639 1HG1 VAL 84 HG13 VAL 84 17.874 -6.698 -6.698 640 2HG1 VAL 84 HG12 VAL 84 19.218 -5.586 -5.586 641 3HG1 VAL 84 HG11 VAL 84 18.615 -6.560 -6.560 642 1HG2 VAL 84 HG22 VAL 84 19.378 -8.229 -8.229 643 2HG2 VAL 84 HG21 VAL 84 21.094 -8.089 -8.089 644 3HG2 VAL 84 HG23 VAL 84 20.115 -6.636 -6.636 645 H LYS 85 HN LYS 85 19.508 -10.138 -10.138 646 HA LYS 85 HA LYS 85 22.126 -11.249 -11.249 647 1HB LYS 85 HB2 LYS 85 20.005 -11.498 -11.498 648 2HB LYS 85 HB1 LYS 85 21.439 -12.515 -12.515 649 1HG LYS 85 HG2 LYS 85 22.625 -10.099 -10.099 650 2HG LYS 85 HG1 LYS 85 21.172 -9.584 -9.584 651 1HD LYS 85 HD2 LYS 85 22.649 -10.002 -10.002 652 2HD LYS 85 HD1 LYS 85 21.768 -11.526 -11.526 653 1HE LYS 85 HE2 LYS 85 23.678 -12.223 -12.223 654 2HE LYS 85 HE1 LYS 85 24.569 -10.894 -10.894 655 1HZ LYS 85 HZ2 LYS 85 23.233 -12.603 -12.603 656 2HZ LYS 85 HZ1 LYS 85 24.417 -13.408 -13.408 657 3HZ LYS 85 HZ3 LYS 85 24.831 -12.033 -12.033 658 H LEU 86 HN LEU 86 19.050 -12.988 -12.988 659 HA LEU 86 HA LEU 86 20.053 -15.442 -15.442 660 1HB LEU 86 HB2 LEU 86 18.252 -16.209 -16.209 661 2HB LEU 86 HB1 LEU 86 17.763 -14.560 -14.560 662 HG LEU 86 HG LEU 86 15.918 -15.692 -15.692 663 1HD1 LEU 86 HD12 LEU 86 16.896 -13.393 -13.393 664 2HD1 LEU 86 HD11 LEU 86 16.528 -14.389 -14.389 665 3HD1 LEU 86 HD13 LEU 86 15.276 -14.049 -14.049 666 1HD2 LEU 86 HD22 LEU 86 17.861 -17.158 -17.158 667 2HD2 LEU 86 HD21 LEU 86 16.142 -17.487 -17.487 668 3HD2 LEU 86 HD23 LEU 86 16.695 -16.465 -16.465 669 H LEU 87 HN LEU 87 19.308 -12.607 -12.607 670 HA LEU 87 HA LEU 87 18.000 -13.685 -13.685 671 1HB LEU 87 HB2 LEU 87 18.688 -11.126 -11.126 672 2HB LEU 87 HB1 LEU 87 19.342 -11.220 -11.220 673 HG LEU 87 HG LEU 87 16.488 -11.946 -11.946 674 1HD1 LEU 87 HD13 LEU 87 17.713 -9.371 -9.371 675 2HD1 LEU 87 HD12 LEU 87 15.992 -9.733 -9.733 676 3HD1 LEU 87 HD11 LEU 87 16.751 -9.612 -9.612 677 1HD2 LEU 87 HD22 LEU 87 17.946 -11.418 -11.418 678 2HD2 LEU 87 HD21 LEU 87 17.256 -12.952 -12.952 679 3HD2 LEU 87 HD23 LEU 87 16.196 -11.599 -11.599 680 H LEU 88 HN LEU 88 21.256 -12.089 -12.089 681 HA LEU 88 HA LEU 88 21.950 -13.242 -13.242 682 1HB LEU 88 HB2 LEU 88 24.240 -12.788 -12.788 683 2HB LEU 88 HB1 LEU 88 23.309 -11.500 -11.500 684 HG LEU 88 HG LEU 88 24.970 -12.071 -12.071 685 1HD1 LEU 88 HD12 LEU 88 22.583 -11.929 -11.929 686 2HD1 LEU 88 HD11 LEU 88 22.594 -13.692 -13.692 687 3HD1 LEU 88 HD13 LEU 88 23.709 -12.766 -12.766 688 1HD2 LEU 88 HD21 LEU 88 25.139 -14.507 -14.507 689 2HD2 LEU 88 HD23 LEU 88 25.870 -14.135 -14.135 690 3HD2 LEU 88 HD22 LEU 88 24.311 -14.952 -14.952 691 H SER 89 HN SER 89 21.371 -14.846 -14.846 692 HA SER 89 HA SER 89 23.086 -17.097 -17.097 693 1HB SER 89 HB2 SER 89 21.665 -18.039 -18.039 694 2HB SER 89 HB1 SER 89 20.980 -16.419 -16.419 695 HG SER 89 HG SER 89 19.363 -17.959 -17.959 696 H LYS 90 HN LYS 90 20.564 -15.962 -15.962 697 HA LYS 90 HA LYS 90 20.447 -18.525 -18.525 698 1HB LYS 90 HB2 LYS 90 18.636 -16.095 -16.095 699 2HB LYS 90 HB1 LYS 90 18.429 -17.436 -17.436 700 1HG LYS 90 HG2 LYS 90 17.102 -18.346 -18.346 701 2HG LYS 90 HG1 LYS 90 18.588 -18.733 -18.733 702 1HD LYS 90 HD2 LYS 90 17.335 -17.586 -17.586 703 2HD LYS 90 HD1 LYS 90 18.369 -16.319 -16.319 704 1HE LYS 90 HE2 LYS 90 16.477 -15.720 -15.720 705 2HE LYS 90 HE1 LYS 90 15.464 -16.846 -16.846 706 1HZ LYS 90 HZ2 LYS 90 16.751 -15.289 -15.289 707 2HZ LYS 90 HZ1 LYS 90 16.231 -14.205 -14.205 708 3HZ LYS 90 HZ3 LYS 90 15.109 -15.223 -15.223 709 H GLY 91 HN GLY 91 21.531 -15.230 -15.230 710 1HA GLY 91 HA2 GLY 91 23.335 -15.170 -15.170 711 2HA GLY 91 HA1 GLY 91 21.895 -15.362 -15.362 712 H ALA 92 HN ALA 92 20.573 -13.585 -13.585 713 HA ALA 92 HA ALA 92 20.086 -11.293 -11.293 714 1HB ALA 92 HB3 ALA 92 20.106 -12.013 -12.013 715 2HB ALA 92 HB2 ALA 92 20.628 -10.341 -10.341 716 3HB ALA 92 HB1 ALA 92 19.073 -10.855 -10.855 717 H ASP 93 HN ASP 93 23.076 -12.359 -12.359 718 HA ASP 93 HA ASP 93 25.215 -11.369 -11.369 719 1HB ASP 93 HB2 ASP 93 23.352 -9.711 -9.711 720 2HB ASP 93 HB1 ASP 93 25.004 -9.171 -9.171 721 H LYS 94 HN LYS 94 23.863 -8.233 -8.233 722 HA LYS 94 HA LYS 94 23.820 -7.621 -7.621 723 1HB LYS 94 HB2 LYS 94 26.252 -7.805 -7.805 724 2HB LYS 94 HB1 LYS 94 26.084 -6.572 -6.572 725 1HG LYS 94 HG2 LYS 94 25.041 -5.110 -5.110 726 2HG LYS 94 HG1 LYS 94 25.762 -6.288 -6.288 727 1HD LYS 94 HD2 LYS 94 27.499 -4.755 -4.755 728 2HD LYS 94 HD1 LYS 94 27.935 -5.864 -5.864 729 1HE LYS 94 HE2 LYS 94 26.597 -4.353 -4.353 730 2HE LYS 94 HE1 LYS 94 26.527 -3.195 -3.195 731 1HZ LYS 94 HZ2 LYS 94 29.048 -3.453 -3.453 732 2HZ LYS 94 HZ1 LYS 94 28.887 -4.163 -4.163 733 3HZ LYS 94 HZ3 LYS 94 28.374 -2.566 -2.566 734 H THR 95 HN THR 95 24.893 -5.924 -5.924 735 HA THR 95 HA THR 95 22.449 -4.196 -4.196 736 HB THR 95 HB THR 95 25.206 -3.242 -3.242 737 HG1 THR 95 HG1 THR 95 25.231 -2.293 -2.293 738 1HG2 THR 95 HG21 THR 95 23.024 -2.054 -2.054 739 2HG2 THR 95 HG23 THR 95 22.869 -1.646 -1.646 740 3HG2 THR 95 HG22 THR 95 24.263 -1.083 -1.083 741 H VAL 96 HN VAL 96 22.429 -6.398 -6.398 742 HA VAL 96 HA VAL 96 23.593 -6.170 -6.170 743 HB VAL 96 HB VAL 96 21.958 -8.042 -8.042 744 1HG1 VAL 96 HG13 VAL 96 20.154 -7.399 -7.399 745 2HG1 VAL 96 HG12 VAL 96 21.202 -7.904 -7.904 746 3HG1 VAL 96 HG11 VAL 96 20.660 -9.084 -9.084 747 1HG2 VAL 96 HG23 VAL 96 24.198 -8.524 -8.524 748 2HG2 VAL 96 HG22 VAL 96 23.040 -9.689 -9.689 749 3HG2 VAL 96 HG21 VAL 96 23.632 -8.382 -8.382 750 H LYS 97 HN LYS 97 21.562 -4.015 -4.015 751 HA LYS 97 HA LYS 97 20.553 -3.262 -3.262 752 1HB LYS 97 HB2 LYS 97 18.963 -5.122 -5.122 753 2HB LYS 97 HB1 LYS 97 18.290 -3.736 -3.736 754 1HG LYS 97 HG2 LYS 97 16.978 -3.792 -3.792 755 2HG LYS 97 HG1 LYS 97 18.226 -2.626 -2.626 756 1HD LYS 97 HD2 LYS 97 18.267 -3.999 -3.999 757 2HD LYS 97 HD1 LYS 97 19.489 -4.788 -4.788 758 1HE LYS 97 HE2 LYS 97 18.109 -6.564 -6.564 759 2HE LYS 97 HE1 LYS 97 17.540 -6.241 -6.241 760 1HZ LYS 97 HZ3 LYS 97 16.009 -4.565 -4.565 761 2HZ LYS 97 HZ2 LYS 97 16.244 -5.722 -5.722 762 3HZ LYS 97 HZ1 LYS 97 15.562 -6.183 -6.183 763 H GLY 98 HN GLY 98 21.154 -2.448 -2.448 764 1HA GLY 98 HA2 GLY 98 19.503 -0.072 -0.072 765 2HA GLY 98 HA1 GLY 98 20.852 -0.394 -0.394 766 HA PRO 99 HA PRO 99 21.654 3.007 3.007 767 1HB PRO 99 HB2 PRO 99 22.696 4.448 4.448 768 2HB PRO 99 HB1 PRO 99 21.495 4.974 4.974 769 1HG PRO 99 HG2 PRO 99 20.980 4.094 4.094 770 2HG PRO 99 HG1 PRO 99 19.781 4.478 4.478 771 1HD PRO 99 HD2 PRO 99 20.418 1.877 1.877 772 2HD PRO 99 HD1 PRO 99 19.280 2.250 2.250 773 H ASP 100 HN ASP 100 23.742 3.010 3.010 774 HA ASP 100 HA ASP 100 25.760 1.355 1.355 775 1HB ASP 100 HB2 ASP 100 26.068 3.637 3.637 776 2HB ASP 100 HB1 ASP 100 26.328 4.263 4.263 777 H GLY 101 HN GLY 101 27.346 3.430 3.430 778 1HA GLY 101 HA2 GLY 101 27.777 1.524 1.524 779 2HA GLY 101 HA1 GLY 101 28.178 3.233 3.233 780 H LEU 102 HN LEU 102 24.878 3.025 3.025 781 HA LEU 102 HA LEU 102 24.106 4.050 4.050 782 1HB LEU 102 HB2 LEU 102 22.644 3.965 3.965 783 2HB LEU 102 HB1 LEU 102 22.314 2.282 2.282 784 HG LEU 102 HG LEU 102 21.681 4.683 4.683 785 1HD1 LEU 102 HD12 LEU 102 20.040 2.969 2.969 786 2HD1 LEU 102 HD11 LEU 102 19.300 3.761 3.761 787 3HD1 LEU 102 HD13 LEU 102 20.092 4.725 4.725 788 1HD2 LEU 102 HD23 LEU 102 21.419 1.709 1.709 789 2HD2 LEU 102 HD22 LEU 102 22.031 2.948 2.948 790 3HD2 LEU 102 HD21 LEU 102 20.303 2.834 2.834 791 H THR 103 HN THR 103 23.134 0.809 0.809 792 HA THR 103 HA THR 103 22.519 -0.878 -0.878 793 HB THR 103 HB THR 103 24.547 -1.795 -1.795 794 HG1 THR 103 HG1 THR 103 23.938 -2.143 -2.143 795 1HG2 THR 103 HG22 THR 103 25.894 0.501 0.501 796 2HG2 THR 103 HG21 THR 103 26.775 -0.848 -0.848 797 3HG2 THR 103 HG23 THR 103 25.823 0.229 0.229 798 H ALA 104 HN ALA 104 25.038 -0.452 -0.452 799 HA ALA 104 HA ALA 104 23.200 0.653 0.653 800 1HB ALA 104 HB1 ALA 104 24.632 -1.408 -1.408 801 2HB ALA 104 HB3 ALA 104 26.000 -0.307 -0.307 802 3HB ALA 104 HB2 ALA 104 24.684 -0.230 -0.230 803 H LEU 105 HN LEU 105 26.184 1.601 1.601 804 HA LEU 105 HA LEU 105 27.172 3.473 3.473 805 1HB LEU 105 HB2 LEU 105 26.909 4.045 4.045 806 2HB LEU 105 HB1 LEU 105 28.173 4.585 4.585 807 HG LEU 105 HG LEU 105 27.657 1.779 1.779 808 1HD1 LEU 105 HD11 LEU 105 28.823 3.478 3.478 809 2HD1 LEU 105 HD13 LEU 105 30.076 3.580 3.580 810 3HD1 LEU 105 HD12 LEU 105 29.795 2.057 2.057 811 1HD2 LEU 105 HD23 LEU 105 29.342 2.892 2.892 812 2HD2 LEU 105 HD22 LEU 105 28.386 1.409 1.409 813 3HD2 LEU 105 HD21 LEU 105 29.919 1.492 1.492 814 H GLU 106 HN GLU 106 24.921 4.345 4.345 815 HA GLU 106 HA GLU 106 24.507 6.899 6.899 816 1HB GLU 106 HB2 GLU 106 23.172 5.709 5.709 817 2HB GLU 106 HB1 GLU 106 23.090 7.392 7.392 818 1HG GLU 106 HG2 GLU 106 25.712 5.989 5.989 819 2HG GLU 106 HG1 GLU 106 24.813 6.833 6.833 820 H ALA 107 HN ALA 107 23.042 3.851 3.851 821 HA ALA 107 HA ALA 107 20.329 4.785 4.785 822 1HB ALA 107 HB2 ALA 107 21.655 2.203 2.203 823 2HB ALA 107 HB1 ALA 107 19.923 2.515 2.515 824 3HB ALA 107 HB3 ALA 107 20.764 2.481 2.481 825 H THR 108 HN THR 108 22.993 3.973 3.973 826 HA THR 108 HA THR 108 21.488 5.386 5.386 827 HB THR 108 HB THR 108 20.574 3.095 3.095 828 HG1 THR 108 HG1 THR 108 22.075 2.859 2.859 829 1HG2 THR 108 HG23 THR 108 22.953 2.293 2.293 830 2HG2 THR 108 HG22 THR 108 23.265 2.041 2.041 831 3HG2 THR 108 HG21 THR 108 21.936 1.196 1.196 832 H ASP 109 HN ASP 109 22.778 3.907 3.907 833 HA ASP 109 HA ASP 109 25.669 4.220 4.220 834 1HB ASP 109 HB2 ASP 109 25.071 6.494 6.494 835 2HB ASP 109 HB1 ASP 109 24.013 5.928 5.928 836 H ASN 110 HN ASN 110 22.944 2.719 2.719 837 HA ASN 110 HA ASN 110 24.114 1.765 1.765 838 1HB ASN 110 HB2 ASN 110 22.147 0.079 0.079 839 2HB ASN 110 HB1 ASN 110 21.737 1.785 1.785 840 1HD2 ASN 110 HD21 ASN 110 23.102 1.009 1.009 841 2HD2 ASN 110 HD22 ASN 110 21.669 0.992 0.992 842 H GLN 111 HN GLN 111 25.469 0.137 0.137 843 HA GLN 111 HA GLN 111 26.628 -0.959 -0.959 844 1HB GLN 111 HB2 GLN 111 27.990 -0.517 -0.517 845 2HB GLN 111 HB1 GLN 111 26.961 -1.428 -1.428 846 1HG GLN 111 HG2 GLN 111 27.695 -3.504 -3.504 847 2HG GLN 111 HG1 GLN 111 28.307 -2.785 -2.785 848 1HE2 GLN 111 HE21 GLN 111 30.090 -0.976 -0.976 849 2HE2 GLN 111 HE22 GLN 111 31.257 -1.463 -1.463 850 H ALA 112 HN ALA 112 23.691 -1.892 -1.892 851 HA ALA 112 HA ALA 112 24.127 -4.801 -4.801 852 1HB ALA 112 HB1 ALA 112 21.609 -3.107 -3.107 853 2HB ALA 112 HB3 ALA 112 21.579 -4.866 -4.866 854 3HB ALA 112 HB2 ALA 112 22.265 -4.086 -4.086 855 H ILE 113 HN ILE 113 22.969 -2.194 -2.194 856 HA ILE 113 HA ILE 113 22.256 -3.720 -3.720 857 HB ILE 113 HB ILE 113 22.891 -0.781 -0.781 858 1HG1 ILE 113 HG12 ILE 113 20.526 -0.400 -0.400 859 2HG1 ILE 113 HG11 ILE 113 20.202 -2.065 -2.065 860 1HG2 ILE 113 HG21 ILE 113 23.146 -1.814 -1.814 861 2HG2 ILE 113 HG23 ILE 113 21.387 -1.758 -1.758 862 3HG2 ILE 113 HG22 ILE 113 22.315 -0.280 -0.280 863 1HD1 ILE 113 HD12 ILE 113 21.530 -1.291 -1.291 864 2HD1 ILE 113 HD11 ILE 113 19.785 -1.450 -1.450 865 3HD1 ILE 113 HD13 ILE 113 20.820 -2.848 -2.848 866 H LYS 114 HN LYS 114 24.842 -1.446 -1.446 867 HA LYS 114 HA LYS 114 26.308 -1.919 -1.919 868 1HB LYS 114 HB2 LYS 114 27.732 -1.329 -1.329 869 2HB LYS 114 HB1 LYS 114 28.012 -0.652 -0.652 870 1HG LYS 114 HG2 LYS 114 25.439 0.178 0.178 871 2HG LYS 114 HG1 LYS 114 26.009 0.140 0.140 872 1HD LYS 114 HD2 LYS 114 26.459 2.335 2.335 873 2HD LYS 114 HD1 LYS 114 28.009 1.509 1.509 874 1HE LYS 114 HE2 LYS 114 26.570 1.238 1.238 875 2HE LYS 114 HE1 LYS 114 26.814 2.929 2.929 876 1HZ LYS 114 HZ2 LYS 114 29.155 1.510 1.510 877 2HZ LYS 114 HZ1 LYS 114 28.696 1.130 1.130 878 3HZ LYS 114 HZ3 LYS 114 28.930 2.748 2.748 879 H ALA 115 HN ALA 115 25.531 -4.062 -4.062 880 HA ALA 115 HA ALA 115 27.829 -5.763 -5.763 881 1HB ALA 115 HB2 ALA 115 25.678 -5.878 -5.878 882 2HB ALA 115 HB1 ALA 115 24.993 -6.785 -6.785 883 3HB ALA 115 HB3 ALA 115 26.425 -7.392 -7.392 884 H LEU 116 HN LEU 116 25.015 -5.338 -5.338 885 HA LEU 116 HA LEU 116 25.857 -7.536 -7.536 886 1HB LEU 116 HB2 LEU 116 23.789 -5.399 -5.399 887 2HB LEU 116 HB1 LEU 116 24.470 -5.903 -5.903 888 HG LEU 116 HG LEU 116 23.080 -7.677 -7.677 889 1HD1 LEU 116 HD12 LEU 116 21.649 -6.263 -6.263 890 2HD1 LEU 116 HD11 LEU 116 22.465 -6.946 -6.946 891 3HD1 LEU 116 HD13 LEU 116 21.479 -7.979 -7.979 892 1HD2 LEU 116 HD23 LEU 116 24.918 -8.302 -8.302 893 2HD2 LEU 116 HD22 LEU 116 24.555 -9.260 -9.260 894 3HD2 LEU 116 HD21 LEU 116 23.432 -9.254 -9.254 895 H LEU 117 HN LEU 117 27.213 -4.531 -4.531 896 HA LEU 117 HA LEU 117 28.155 -4.021 -4.021 897 1HB LEU 117 HB2 LEU 117 28.043 -2.497 -2.497 898 2HB LEU 117 HB1 LEU 117 29.755 -2.902 -2.902 899 HG LEU 117 HG LEU 117 29.312 -0.811 -0.811 900 1HD1 LEU 117 HD13 LEU 117 31.005 -2.590 -2.590 901 2HD1 LEU 117 HD12 LEU 117 29.849 -2.945 -2.945 902 3HD1 LEU 117 HD11 LEU 117 30.564 -1.339 -1.339 903 1HD2 LEU 117 HD22 LEU 117 26.930 -2.068 -2.068 904 2HD2 LEU 117 HD21 LEU 117 27.527 -0.510 -0.510 905 3HD2 LEU 117 HD23 LEU 117 27.889 -1.974 -1.974 906 H GLN 118 HN GLN 118 28.595 -6.394 -6.394 907 HA GLN 118 HA GLN 118 31.425 -6.784 -6.784 908 1HB GLN 118 HB2 GLN 118 29.010 -8.467 -8.467 909 2HB GLN 118 HB1 GLN 118 30.541 -9.302 -9.302 910 1HG GLN 118 HG2 GLN 118 31.522 -8.086 -8.086 911 2HG GLN 118 HG1 GLN 118 30.060 -7.115 -7.115 912 1HE2 GLN 118 HE21 GLN 118 27.978 -8.573 -8.573 913 2HE2 GLN 118 HE22 GLN 118 28.140 -9.899 -9.899 Start of MODEL 15 1 1H MET 1 HT3 MET 1 -11.343 -12.746 -12.746 2 2H MET 1 HT2 MET 1 -12.899 -12.240 -12.240 3 3H MET 1 HT1 MET 1 -11.857 -12.930 -12.930 4 HA MET 1 HA MET 1 -10.539 -11.068 -11.068 5 1HB MET 1 HB2 MET 1 -13.367 -10.174 -10.174 6 2HB MET 1 HB1 MET 1 -12.143 -9.112 -9.112 7 1HG MET 1 HG2 MET 1 -13.388 -9.985 -9.985 8 2HG MET 1 HG1 MET 1 -11.859 -10.862 -10.862 9 1HE MET 1 HE3 MET 1 -13.586 -12.100 -12.100 10 2HE MET 1 HE2 MET 1 -14.805 -13.259 -13.259 11 3HE MET 1 HE1 MET 1 -15.138 -11.532 -11.532 12 H CYS 2 HN CYS 2 -10.889 -12.002 -12.002 13 HA CYS 2 HA CYS 2 -10.750 -9.456 -9.456 14 1HB CYS 2 HB2 CYS 2 -10.242 -12.309 -12.309 15 2HB CYS 2 HB1 CYS 2 -10.298 -10.908 -10.908 16 HG CYS 2 HG CYS 2 -12.817 -11.340 -11.340 17 H ASP 3 HN ASP 3 -8.871 -8.951 -8.951 18 HA ASP 3 HA ASP 3 -6.317 -10.121 -10.121 19 1HB ASP 3 HB2 ASP 3 -6.977 -7.186 -7.186 20 2HB ASP 3 HB1 ASP 3 -5.441 -7.956 -7.956 21 H LYS 4 HN LYS 4 -8.048 -8.126 -8.126 22 HA LYS 4 HA LYS 4 -5.876 -7.097 -7.097 23 1HB LYS 4 HB2 LYS 4 -8.663 -7.866 -7.866 24 2HB LYS 4 HB1 LYS 4 -7.546 -6.806 -6.806 25 1HG LYS 4 HG2 LYS 4 -7.504 -5.359 -5.359 26 2HG LYS 4 HG1 LYS 4 -8.871 -6.314 -6.314 27 1HD LYS 4 HD2 LYS 4 -10.127 -5.709 -5.709 28 2HD LYS 4 HD1 LYS 4 -8.773 -4.701 -4.701 29 1HE LYS 4 HE2 LYS 4 -10.282 -4.338 -4.338 30 2HE LYS 4 HE1 LYS 4 -10.590 -3.405 -3.405 31 1HZ LYS 4 HZ1 LYS 4 -7.930 -3.175 -3.175 32 2HZ LYS 4 HZ3 LYS 4 -8.410 -3.214 -3.214 33 3HZ LYS 4 HZ2 LYS 4 -9.052 -2.039 -2.039 34 H GLU 5 HN GLU 5 -8.026 -9.804 -9.804 35 HA GLU 5 HA GLU 5 -6.525 -10.848 -10.848 36 1HB GLU 5 HB2 GLU 5 -8.734 -11.735 -11.735 37 2HB GLU 5 HB1 GLU 5 -7.800 -12.607 -12.607 38 1HG GLU 5 HG2 GLU 5 -6.529 -13.741 -13.741 39 2HG GLU 5 HG1 GLU 5 -7.488 -12.887 -12.887 40 H PHE 6 HN PHE 6 -5.813 -11.028 -11.028 41 HA PHE 6 HA PHE 6 -3.818 -13.091 -13.091 42 1HB PHE 6 HB2 PHE 6 -5.034 -11.996 -11.996 43 2HB PHE 6 HB1 PHE 6 -3.702 -10.850 -10.850 44 HD1 PHE 6 HD2 PHE 6 -1.378 -12.470 -12.470 45 HD2 PHE 6 HD1 PHE 6 -4.674 -13.452 -13.452 46 HE1 PHE 6 HE2 PHE 6 0.044 -14.105 -14.105 47 HE2 PHE 6 HE1 PHE 6 -3.244 -15.085 -15.085 48 HZ PHE 6 HZ PHE 6 -0.887 -15.410 -15.410 49 H MET 7 HN MET 7 -3.040 -9.706 -9.706 50 HA MET 7 HA MET 7 -0.392 -9.890 -9.890 51 1HB MET 7 HB2 MET 7 -0.184 -7.581 -7.581 52 2HB MET 7 HB1 MET 7 -1.357 -8.162 -8.162 53 1HG MET 7 HG2 MET 7 -3.159 -7.494 -7.494 54 2HG MET 7 HG1 MET 7 -1.880 -6.614 -6.614 55 1HE MET 7 HE1 MET 7 -3.422 -7.403 -7.403 56 2HE MET 7 HE3 MET 7 -4.625 -6.305 -6.305 57 3HE MET 7 HE2 MET 7 -3.727 -5.839 -5.839 58 H TRP 8 HN TRP 8 -3.397 -8.841 -8.841 59 HA TRP 8 HA TRP 8 -2.408 -7.539 -7.539 60 1HB TRP 8 HB2 TRP 8 -4.847 -7.981 -7.981 61 2HB TRP 8 HB1 TRP 8 -4.627 -9.600 -9.600 62 HD1 TRP 8 HD1 TRP 8 -4.605 -9.870 -9.870 63 HE1 TRP 8 HE1 TRP 8 -4.935 -8.249 -8.249 64 HE3 TRP 8 HE3 TRP 8 -4.390 -5.407 -5.407 65 HZ2 TRP 8 HZ2 TRP 8 -5.087 -5.429 -5.429 66 HZ3 TRP 8 HZ3 TRP 8 -4.632 -3.272 -3.272 67 HH2 TRP 8 HH2 TRP 8 -4.980 -3.277 -3.277 68 H ALA 9 HN ALA 9 -1.809 -10.735 -10.735 69 HA ALA 9 HA ALA 9 -1.226 -11.734 -11.734 70 1HB ALA 9 HB3 ALA 9 -0.930 -12.951 -12.951 71 2HB ALA 9 HB2 ALA 9 -0.503 -13.793 -13.793 72 3HB ALA 9 HB1 ALA 9 -2.174 -13.313 -13.313 73 H LEU 10 HN LEU 10 0.632 -11.054 -11.054 74 HA LEU 10 HA LEU 10 3.204 -11.667 -11.667 75 1HB LEU 10 HB2 LEU 10 2.427 -9.046 -9.046 76 2HB LEU 10 HB1 LEU 10 4.025 -9.775 -9.775 77 HG LEU 10 HG LEU 10 1.755 -11.417 -11.417 78 1HD1 LEU 10 HD11 LEU 10 1.597 -8.970 -8.970 79 2HD1 LEU 10 HD13 LEU 10 3.075 -9.363 -9.363 80 3HD1 LEU 10 HD12 LEU 10 1.606 -10.286 -10.286 81 1HD2 LEU 10 HD22 LEU 10 4.255 -12.066 -12.066 82 2HD2 LEU 10 HD21 LEU 10 3.461 -12.330 -12.330 83 3HD2 LEU 10 HD23 LEU 10 4.506 -10.929 -10.929 84 H LYS 11 HN LYS 11 1.273 -8.946 -8.946 85 HA LYS 11 HA LYS 11 3.439 -7.715 -7.715 86 1HB LYS 11 HB2 LYS 11 1.883 -6.323 -6.323 87 2HB LYS 11 HB1 LYS 11 0.523 -7.051 -7.051 88 1HG LYS 11 HG2 LYS 11 1.115 -6.039 -6.039 89 2HG LYS 11 HG1 LYS 11 2.745 -5.651 -5.651 90 1HD LYS 11 HD2 LYS 11 1.199 -3.670 -3.670 91 2HD LYS 11 HD1 LYS 11 1.872 -4.012 -4.012 92 1HE LYS 11 HE2 LYS 11 -0.144 -4.991 -4.991 93 2HE LYS 11 HE1 LYS 11 -0.784 -5.155 -5.155 94 1HZ LYS 11 HZ1 LYS 11 -0.195 -2.547 -2.547 95 2HZ LYS 11 HZ3 LYS 11 -1.725 -3.278 -3.278 96 3HZ LYS 11 HZ2 LYS 11 -1.034 -2.821 -2.821 97 H ASN 12 HN ASN 12 0.181 -8.988 -8.988 98 HA ASN 12 HA ASN 12 0.736 -8.690 -8.690 99 1HB ASN 12 HB2 ASN 12 -1.447 -9.846 -9.846 100 2HB ASN 12 HB1 ASN 12 -1.351 -10.340 -10.340 101 1HD2 ASN 12 HD21 ASN 12 -0.773 -8.191 -8.191 102 2HD2 ASN 12 HD22 ASN 12 -1.818 -6.888 -6.888 103 H GLY 13 HN GLY 13 2.502 -10.430 -10.430 104 1HA GLY 13 HA2 GLY 13 3.704 -12.416 -12.416 105 2HA GLY 13 HA1 GLY 13 3.292 -12.287 -12.287 106 H ASP 14 HN ASP 14 0.521 -12.456 -12.456 107 HA ASP 14 HA ASP 14 -0.209 -15.008 -15.008 108 1HB ASP 14 HB2 ASP 14 -1.467 -13.880 -13.880 109 2HB ASP 14 HB1 ASP 14 -2.191 -14.818 -14.818 110 H LEU 15 HN LEU 15 2.187 -15.323 -15.323 111 HA LEU 15 HA LEU 15 2.822 -16.044 -16.044 112 1HB LEU 15 HB2 LEU 15 4.323 -16.112 -16.112 113 2HB LEU 15 HB1 LEU 15 3.487 -17.540 -17.540 114 HG LEU 15 HG LEU 15 5.723 -17.827 -17.827 115 1HD1 LEU 15 HD12 LEU 15 3.842 -19.569 -19.569 116 2HD1 LEU 15 HD11 LEU 15 3.544 -19.520 -19.520 117 3HD1 LEU 15 HD13 LEU 15 5.124 -19.996 -19.996 118 1HD2 LEU 15 HD23 LEU 15 4.902 -16.329 -16.329 119 2HD2 LEU 15 HD22 LEU 15 5.671 -17.844 -17.844 120 3HD2 LEU 15 HD21 LEU 15 3.918 -17.700 -17.700 121 H ASP 16 HN ASP 16 0.761 -17.781 -17.781 122 HA ASP 16 HA ASP 16 0.583 -20.241 -20.241 123 1HB ASP 16 HB2 ASP 16 -1.566 -18.874 -18.874 124 2HB ASP 16 HB1 ASP 16 -1.407 -20.600 -20.600 125 H GLU 17 HN GLU 17 -0.926 -17.122 -17.122 126 HA GLU 17 HA GLU 17 -2.970 -18.155 -18.155 127 1HB GLU 17 HB2 GLU 17 -2.100 -15.420 -15.420 128 2HB GLU 17 HB1 GLU 17 -3.216 -15.607 -15.607 129 1HG GLU 17 HG2 GLU 17 -4.801 -16.793 -16.793 130 2HG GLU 17 HG1 GLU 17 -3.649 -16.904 -16.904 131 H VAL 18 HN VAL 18 0.053 -16.258 -16.258 132 HA VAL 18 HA VAL 18 -0.204 -16.203 -16.203 133 HB VAL 18 HB VAL 18 2.513 -16.138 -16.138 134 1HG1 VAL 18 HG12 VAL 18 0.506 -13.905 -13.905 135 2HG1 VAL 18 HG11 VAL 18 2.243 -13.651 -13.651 136 3HG1 VAL 18 HG13 VAL 18 1.322 -14.362 -14.362 137 1HG2 VAL 18 HG23 VAL 18 1.913 -16.547 -16.547 138 2HG2 VAL 18 HG22 VAL 18 3.073 -15.279 -15.279 139 3HG2 VAL 18 HG21 VAL 18 1.407 -14.857 -14.857 140 H LYS 19 HN LYS 19 0.863 -18.501 -18.501 141 HA LYS 19 HA LYS 19 2.420 -20.220 -20.220 142 1HB LYS 19 HB2 LYS 19 2.404 -20.221 -20.221 143 2HB LYS 19 HB1 LYS 19 0.775 -20.881 -20.881 144 1HG LYS 19 HG2 LYS 19 1.505 -22.934 -22.934 145 2HG LYS 19 HG1 LYS 19 3.064 -22.258 -22.258 146 1HD LYS 19 HD2 LYS 19 2.337 -22.204 -22.204 147 2HD LYS 19 HD1 LYS 19 2.824 -23.747 -23.747 148 1HE LYS 19 HE2 LYS 19 4.932 -22.802 -22.802 149 2HE LYS 19 HE1 LYS 19 4.442 -21.190 -21.190 150 1HZ LYS 19 HZ3 LYS 19 4.106 -22.784 -22.784 151 2HZ LYS 19 HZ2 LYS 19 5.565 -23.323 -23.323 152 3HZ LYS 19 HZ1 LYS 19 5.372 -21.687 -21.687 153 H ASP 20 HN ASP 20 -1.040 -20.045 -20.045 154 HA ASP 20 HA ASP 20 -1.677 -22.544 -22.544 155 1HB ASP 20 HB2 ASP 20 -3.129 -21.039 -21.039 156 2HB ASP 20 HB1 ASP 20 -3.618 -20.247 -20.247 157 H TYR 21 HN TYR 21 -1.640 -19.181 -19.181 158 HA TYR 21 HA TYR 21 -2.706 -19.687 -19.687 159 1HB TYR 21 HB2 TYR 21 -0.962 -17.541 -17.541 160 2HB TYR 21 HB1 TYR 21 -1.219 -17.581 -17.581 161 HD1 TYR 21 HD2 TYR 21 -3.606 -17.598 -17.598 162 HD2 TYR 21 HD1 TYR 21 -2.650 -16.736 -16.736 163 HE1 TYR 21 HE2 TYR 21 -5.839 -16.565 -16.565 164 HE2 TYR 21 HE1 TYR 21 -4.884 -15.703 -15.703 165 HH TYR 21 HH TYR 21 -6.943 -14.973 -14.973 166 H VAL 22 HN VAL 22 0.773 -19.447 -19.447 167 HA VAL 22 HA VAL 22 1.658 -20.263 -20.263 168 HB VAL 22 HB VAL 22 3.037 -19.100 -19.100 169 1HG1 VAL 22 HG13 VAL 22 2.522 -20.829 -20.829 170 2HG1 VAL 22 HG12 VAL 22 3.506 -21.976 -21.976 171 3HG1 VAL 22 HG11 VAL 22 4.243 -20.531 -20.531 172 1HG2 VAL 22 HG23 VAL 22 3.974 -19.883 -19.883 173 2HG2 VAL 22 HG22 VAL 22 5.120 -20.132 -20.132 174 3HG2 VAL 22 HG21 VAL 22 4.197 -21.494 -21.494 175 H ALA 23 HN ALA 23 0.255 -21.996 -21.996 176 HA ALA 23 HA ALA 23 1.484 -24.543 -24.543 177 1HB ALA 23 HB1 ALA 23 -0.251 -23.738 -23.738 178 2HB ALA 23 HB3 ALA 23 -1.458 -24.224 -24.224 179 3HB ALA 23 HB2 ALA 23 -0.329 -25.413 -25.413 180 H LYS 24 HN LYS 24 -0.807 -22.763 -22.763 181 HA LYS 24 HA LYS 24 -1.965 -24.856 -24.856 182 1HB LYS 24 HB2 LYS 24 -1.524 -21.924 -21.924 183 2HB LYS 24 HB1 LYS 24 -2.016 -22.907 -22.907 184 1HG LYS 24 HG2 LYS 24 -3.983 -21.974 -21.974 185 2HG LYS 24 HG1 LYS 24 -3.960 -23.733 -23.733 186 1HD LYS 24 HD2 LYS 24 -3.178 -23.679 -23.679 187 2HD LYS 24 HD1 LYS 24 -2.802 -21.958 -21.958 188 1HE LYS 24 HE2 LYS 24 -5.272 -21.547 -21.547 189 2HE LYS 24 HE1 LYS 24 -5.544 -23.244 -23.244 190 1HZ LYS 24 HZ2 LYS 24 -4.034 -21.473 -21.473 191 2HZ LYS 24 HZ1 LYS 24 -5.731 -21.530 -21.530 192 3HZ LYS 24 HZ3 LYS 24 -4.830 -22.933 -22.933 193 H GLY 25 HN GLY 25 0.338 -22.617 -22.617 194 1HA GLY 25 HA2 GLY 25 2.159 -24.787 -24.787 195 2HA GLY 25 HA1 GLY 25 1.211 -24.213 -24.213 196 H GLU 26 HN GLU 26 3.586 -23.280 -23.280 197 HA GLU 26 HA GLU 26 4.927 -21.331 -21.331 198 1HB GLU 26 HB2 GLU 26 6.328 -21.179 -21.179 199 2HB GLU 26 HB1 GLU 26 6.431 -22.638 -22.638 200 1HG GLU 26 HG2 GLU 26 4.809 -23.762 -23.762 201 2HG GLU 26 HG1 GLU 26 4.628 -22.293 -22.293 202 H ASP 27 HN ASP 27 4.006 -19.363 -19.363 203 HA ASP 27 HA ASP 27 3.522 -17.879 -17.879 204 1HB ASP 27 HB2 ASP 27 1.326 -18.959 -18.959 205 2HB ASP 27 HB1 ASP 27 1.451 -17.718 -17.718 206 H VAL 28 HN VAL 28 5.602 -17.732 -17.732 207 HA VAL 28 HA VAL 28 4.952 -15.352 -15.352 208 HB VAL 28 HB VAL 28 7.311 -15.702 -15.702 209 1HG1 VAL 28 HG13 VAL 28 5.333 -17.997 -17.997 210 2HG1 VAL 28 HG12 VAL 28 6.672 -17.744 -17.744 211 3HG1 VAL 28 HG11 VAL 28 5.358 -16.572 -16.572 212 1HG2 VAL 28 HG21 VAL 28 7.903 -17.004 -17.004 213 2HG2 VAL 28 HG23 VAL 28 8.531 -17.612 -17.612 214 3HG2 VAL 28 HG22 VAL 28 7.126 -18.377 -18.377 215 H ASN 29 HN ASN 29 4.667 -14.259 -14.259 216 HA ASN 29 HA ASN 29 6.795 -12.431 -12.431 217 1HB ASN 29 HB2 ASN 29 7.095 -13.191 -13.191 218 2HB ASN 29 HB1 ASN 29 8.018 -14.017 -14.017 219 1HD2 ASN 29 HD21 ASN 29 7.037 -16.118 -16.118 220 2HD2 ASN 29 HD22 ASN 29 6.097 -17.036 -17.036 221 H ARG 30 HN ARG 30 3.826 -12.773 -12.773 222 HA ARG 30 HA ARG 30 2.851 -11.492 -11.492 223 1HB ARG 30 HB2 ARG 30 0.583 -11.953 -11.953 224 2HB ARG 30 HB1 ARG 30 1.516 -13.383 -13.383 225 1HG ARG 30 HG2 ARG 30 1.707 -14.057 -14.057 226 2HG ARG 30 HG1 ARG 30 2.113 -12.451 -12.451 227 1HD ARG 30 HD2 ARG 30 -0.088 -13.445 -13.445 228 2HD ARG 30 HD1 ARG 30 -0.170 -11.819 -11.819 229 HE ARG 30 HE ARG 30 -0.703 -13.509 -13.509 230 1HH1 ARG 30 HH21 ARG 30 -1.940 -12.935 -12.935 231 2HH1 ARG 30 HH22 ARG 30 -3.554 -13.424 -13.424 232 1HH2 ARG 30 HH11 ARG 30 -2.809 -14.145 -14.145 233 2HH2 ARG 30 HH12 ARG 30 -4.046 -14.103 -14.103 234 H THR 31 HN THR 31 2.155 -9.454 -9.454 235 HA THR 31 HA THR 31 2.804 -7.692 -7.692 236 HB THR 31 HB THR 31 1.286 -6.086 -6.086 237 HG1 THR 31 HG1 THR 31 1.316 -7.300 -7.300 238 1HG2 THR 31 HG21 THR 31 3.741 -7.464 -7.464 239 2HG2 THR 31 HG23 THR 31 2.975 -6.149 -6.149 240 3HG2 THR 31 HG22 THR 31 3.606 -5.865 -5.865 241 H LEU 32 HN LEU 32 1.706 -8.338 -8.338 242 HA LEU 32 HA LEU 32 -1.157 -8.817 -8.817 243 1HB LEU 32 HB2 LEU 32 -1.093 -8.851 -8.851 244 2HB LEU 32 HB1 LEU 32 0.115 -9.915 -9.915 245 HG LEU 32 HG LEU 32 1.097 -8.762 -8.762 246 1HD1 LEU 32 HD13 LEU 32 2.367 -9.001 -9.001 247 2HD1 LEU 32 HD12 LEU 32 2.238 -7.238 -7.238 248 3HD1 LEU 32 HD11 LEU 32 3.062 -8.017 -8.017 249 1HD2 LEU 32 HD22 LEU 32 -0.596 -6.677 -6.677 250 2HD2 LEU 32 HD21 LEU 32 0.746 -6.600 -6.600 251 3HD2 LEU 32 HD23 LEU 32 0.959 -6.028 -6.028 252 H GLU 33 HN GLU 33 0.934 -6.084 -6.084 253 HA GLU 33 HA GLU 33 -1.286 -4.312 -4.312 254 1HB GLU 33 HB2 GLU 33 0.856 -3.748 -3.748 255 2HB GLU 33 HB1 GLU 33 1.641 -3.816 -3.816 256 1HG GLU 33 HG2 GLU 33 0.505 -1.847 -1.847 257 2HG GLU 33 HG1 GLU 33 -0.596 -1.877 -1.877 258 H GLY 34 HN GLY 34 1.088 -4.284 -4.284 259 1HA GLY 34 HA2 GLY 34 -0.730 -4.352 -4.352 260 2HA GLY 34 HA1 GLY 34 -0.577 -2.652 -2.652 261 H GLY 35 HN GLY 35 2.286 -3.207 -3.207 262 1HA GLY 35 HA2 GLY 35 3.622 -3.897 -3.897 263 2HA GLY 35 HA1 GLY 35 3.773 -2.209 -2.209 264 H ARG 36 HN ARG 36 3.500 -4.473 -4.473 265 HA ARG 36 HA ARG 36 6.452 -4.308 -4.308 266 1HB ARG 36 HB2 ARG 36 4.389 -4.602 -4.602 267 2HB ARG 36 HB1 ARG 36 6.039 -3.981 -3.981 268 1HG ARG 36 HG2 ARG 36 5.214 -2.111 -2.111 269 2HG ARG 36 HG1 ARG 36 3.593 -2.631 -2.631 270 1HD ARG 36 HD2 ARG 36 4.065 -2.188 -2.188 271 2HD ARG 36 HD1 ARG 36 5.750 -1.823 -1.823 272 HE ARG 36 HE ARG 36 4.318 -0.032 -0.032 273 1HH1 ARG 36 HH21 ARG 36 4.438 -0.921 -0.921 274 2HH1 ARG 36 HH22 ARG 36 3.983 0.648 0.648 275 1HH2 ARG 36 HH11 ARG 36 3.719 2.021 2.021 276 2HH2 ARG 36 HH12 ARG 36 3.577 2.317 2.317 277 H LYS 37 HN LYS 37 6.610 -6.101 -6.101 278 HA LYS 37 HA LYS 37 5.441 -8.636 -8.636 279 1HB LYS 37 HB2 LYS 37 7.957 -9.423 -9.423 280 2HB LYS 37 HB1 LYS 37 7.504 -9.165 -9.165 281 1HG LYS 37 HG2 LYS 37 9.513 -7.887 -7.887 282 2HG LYS 37 HG1 LYS 37 8.179 -6.747 -6.747 283 1HD LYS 37 HD2 LYS 37 7.938 -6.829 -6.829 284 2HD LYS 37 HD1 LYS 37 9.458 -7.720 -7.720 285 1HE LYS 37 HE2 LYS 37 8.960 -4.852 -4.852 286 2HE LYS 37 HE1 LYS 37 10.370 -5.631 -5.631 287 1HZ LYS 37 HZ1 LYS 37 10.931 -6.461 -6.461 288 2HZ LYS 37 HZ3 LYS 37 9.655 -5.541 -5.541 289 3HZ LYS 37 HZ2 LYS 37 10.968 -4.767 -4.767 290 HA PRO 38 HA PRO 38 4.534 -9.442 -9.442 291 1HB PRO 38 HB2 PRO 38 5.035 -12.210 -12.210 292 2HB PRO 38 HB1 PRO 38 3.530 -11.438 -11.438 293 1HG PRO 38 HG2 PRO 38 5.595 -12.749 -12.749 294 2HG PRO 38 HG1 PRO 38 3.922 -12.345 -12.345 295 1HD PRO 38 HD2 PRO 38 6.252 -10.973 -10.973 296 2HD PRO 38 HD1 PRO 38 4.570 -10.435 -10.435 297 H LEU 39 HN LEU 39 7.412 -8.692 -8.692 298 HA LEU 39 HA LEU 39 8.596 -10.227 -10.227 299 1HB LEU 39 HB2 LEU 39 9.621 -10.530 -10.530 300 2HB LEU 39 HB1 LEU 39 10.224 -8.892 -8.892 301 HG LEU 39 HG LEU 39 11.843 -9.526 -9.526 302 1HD1 LEU 39 HD12 LEU 39 10.020 -11.710 -11.710 303 2HD1 LEU 39 HD11 LEU 39 11.635 -11.361 -11.361 304 3HD1 LEU 39 HD13 LEU 39 10.356 -10.165 -10.165 305 1HD2 LEU 39 HD21 LEU 39 11.894 -11.108 -11.108 306 2HD2 LEU 39 HD23 LEU 39 12.842 -11.574 -11.574 307 3HD2 LEU 39 HD22 LEU 39 11.285 -12.342 -12.342 308 H HIS 40 HN HIS 40 7.804 -7.133 -7.133 309 HA HIS 40 HA HIS 40 9.626 -5.599 -5.599 310 1HB HIS 40 HB2 HIS 40 8.589 -4.740 -4.740 311 2HB HIS 40 HB1 HIS 40 7.043 -4.666 -4.666 312 HD1 HIS 40 HD1 HIS 40 10.371 -2.981 -2.981 313 HD2 HIS 40 HD2 HIS 40 6.895 -2.644 -2.644 314 HE1 HIS 40 HE1 HIS 40 10.530 -0.771 -0.771 315 H TYR 41 HN TYR 41 6.206 -6.560 -6.560 316 HA TYR 41 HA TYR 41 5.779 -5.164 -5.164 317 1HB TYR 41 HB2 TYR 41 4.202 -7.581 -7.581 318 2HB TYR 41 HB1 TYR 41 3.643 -6.143 -6.143 319 HD1 TYR 41 HD1 TYR 41 4.863 -7.411 -7.411 320 HD2 TYR 41 HD2 TYR 41 2.956 -4.193 -4.193 321 HE1 TYR 41 HE1 TYR 41 4.303 -6.334 -6.334 322 HE2 TYR 41 HE2 TYR 41 2.393 -3.119 -3.119 323 HH TYR 41 HH TYR 41 3.808 -3.861 -3.861 324 H ALA 42 HN ALA 42 6.679 -8.425 -8.425 325 HA ALA 42 HA ALA 42 6.642 -9.603 -9.603 326 1HB ALA 42 HB3 ALA 42 6.712 -10.767 -10.767 327 2HB ALA 42 HB2 ALA 42 8.447 -10.466 -10.466 328 3HB ALA 42 HB1 ALA 42 7.694 -11.471 -11.471 329 H ALA 43 HN ALA 43 9.333 -8.529 -8.529 330 HA ALA 43 HA ALA 43 11.408 -8.831 -8.831 331 1HB ALA 43 HB2 ALA 43 11.043 -6.686 -6.686 332 2HB ALA 43 HB1 ALA 43 12.568 -7.047 -7.047 333 3HB ALA 43 HB3 ALA 43 11.816 -8.254 -8.254 334 H ASP 44 HN ASP 44 9.683 -5.787 -5.787 335 HA ASP 44 HA ASP 44 10.752 -4.278 -4.278 336 1HB ASP 44 HB2 ASP 44 8.074 -4.048 -4.048 337 2HB ASP 44 HB1 ASP 44 8.757 -2.812 -2.812 338 H CYS 45 HN CYS 45 7.965 -6.483 -6.483 339 HA CYS 45 HA CYS 45 8.061 -6.429 -6.429 340 1HB CYS 45 HB2 CYS 45 5.700 -5.324 -5.324 341 2HB CYS 45 HB1 CYS 45 5.603 -5.824 -5.824 342 HG CYS 45 HG CYS 45 7.150 -3.344 -3.344 343 H GLY 46 HN GLY 46 8.586 -8.630 -8.630 344 1HA GLY 46 HA2 GLY 46 6.021 -10.171 -10.171 345 2HA GLY 46 HA1 GLY 46 7.508 -10.585 -10.585 346 H GLN 47 HN GLN 47 7.346 -9.616 -9.616 347 HA GLN 47 HA GLN 47 8.179 -10.778 -10.778 348 1HB GLN 47 HB2 GLN 47 6.596 -12.897 -12.897 349 2HB GLN 47 HB1 GLN 47 7.314 -13.179 -13.179 350 1HG GLN 47 HG2 GLN 47 4.946 -12.427 -12.427 351 2HG GLN 47 HG1 GLN 47 6.048 -11.311 -11.311 352 1HE2 GLN 47 HE21 GLN 47 5.112 -9.278 -9.278 353 2HE2 GLN 47 HE22 GLN 47 4.672 -8.698 -8.698 354 H LEU 48 HN LEU 48 9.505 -10.850 -10.850 355 HA LEU 48 HA LEU 48 11.501 -11.586 -11.586 356 1HB LEU 48 HB2 LEU 48 11.883 -12.329 -12.329 357 2HB LEU 48 HB1 LEU 48 13.132 -12.557 -12.557 358 HG LEU 48 HG LEU 48 13.731 -10.400 -10.400 359 1HD1 LEU 48 HD11 LEU 48 10.830 -9.669 -9.669 360 2HD1 LEU 48 HD13 LEU 48 12.168 -8.533 -8.533 361 3HD1 LEU 48 HD12 LEU 48 12.097 -9.784 -9.784 362 1HD2 LEU 48 HD22 LEU 48 11.497 -10.285 -10.285 363 2HD2 LEU 48 HD21 LEU 48 13.223 -10.487 -10.487 364 3HD2 LEU 48 HD23 LEU 48 12.605 -8.944 -8.944 365 H GLU 49 HN GLU 49 9.183 -13.645 -13.645 366 HA GLU 49 HA GLU 49 10.699 -16.080 -16.080 367 1HB GLU 49 HB2 GLU 49 8.363 -17.153 -17.153 368 2HB GLU 49 HB1 GLU 49 9.380 -16.633 -16.633 369 1HG GLU 49 HG2 GLU 49 8.165 -14.527 -14.527 370 2HG GLU 49 HG1 GLU 49 7.188 -14.954 -14.954 371 H ILE 50 HN ILE 50 8.022 -14.008 -14.008 372 HA ILE 50 HA ILE 50 7.020 -15.507 -15.507 373 HB ILE 50 HB ILE 50 7.085 -12.512 -12.512 374 1HG1 ILE 50 HG12 ILE 50 5.758 -14.585 -14.585 375 2HG1 ILE 50 HG11 ILE 50 5.814 -12.856 -12.856 376 1HG2 ILE 50 HG22 ILE 50 6.443 -13.408 -13.408 377 2HG2 ILE 50 HG21 ILE 50 5.098 -14.240 -14.240 378 3HG2 ILE 50 HG23 ILE 50 5.174 -12.483 -12.483 379 1HD1 ILE 50 HD12 ILE 50 3.928 -14.082 -14.082 380 2HD1 ILE 50 HD11 ILE 50 3.493 -13.876 -13.876 381 3HD1 ILE 50 HD13 ILE 50 3.867 -12.470 -12.470 382 H LEU 51 HN LEU 51 9.471 -12.927 -12.927 383 HA LEU 51 HA LEU 51 9.815 -12.843 -12.843 384 1HB LEU 51 HB2 LEU 51 12.367 -12.347 -12.347 385 2HB LEU 51 HB1 LEU 51 11.113 -11.129 -11.129 386 HG LEU 51 HG LEU 51 12.284 -10.982 -10.982 387 1HD1 LEU 51 HD12 LEU 51 9.499 -11.194 -11.194 388 2HD1 LEU 51 HD11 LEU 51 9.923 -12.081 -12.081 389 3HD1 LEU 51 HD13 LEU 51 10.417 -10.405 -10.405 390 1HD2 LEU 51 HD23 LEU 51 12.798 -13.541 -13.541 391 2HD2 LEU 51 HD22 LEU 51 12.660 -12.730 -12.730 392 3HD2 LEU 51 HD21 LEU 51 11.310 -13.682 -13.682 393 H GLU 52 HN GLU 52 11.600 -14.754 -14.754 394 HA GLU 52 HA GLU 52 13.228 -16.203 -16.203 395 1HB GLU 52 HB2 GLU 52 13.031 -16.119 -16.119 396 2HB GLU 52 HB1 GLU 52 12.102 -17.594 -17.594 397 1HG GLU 52 HG2 GLU 52 14.953 -17.039 -17.039 398 2HG GLU 52 HG1 GLU 52 14.385 -18.255 -18.255 399 H PHE 53 HN PHE 53 9.913 -16.749 -16.749 400 HA PHE 53 HA PHE 53 9.552 -19.368 -19.368 401 1HB PHE 53 HB2 PHE 53 7.900 -18.318 -18.318 402 2HB PHE 53 HB1 PHE 53 7.557 -17.112 -17.112 403 HD1 PHE 53 HD1 PHE 53 7.817 -20.847 -20.847 404 HD2 PHE 53 HD2 PHE 53 5.681 -17.483 -17.483 405 HE1 PHE 53 HE1 PHE 53 6.188 -22.388 -22.388 406 HE2 PHE 53 HE2 PHE 53 4.051 -19.021 -19.021 407 HZ PHE 53 HZ PHE 53 4.304 -21.477 -21.477 408 H LEU 54 HN LEU 54 7.790 -16.829 -16.829 409 HA LEU 54 HA LEU 54 7.555 -18.244 -18.244 410 1HB LEU 54 HB2 LEU 54 7.406 -15.733 -15.733 411 2HB LEU 54 HB1 LEU 54 6.120 -16.491 -16.491 412 HG LEU 54 HG LEU 54 6.879 -15.444 -15.444 413 1HD1 LEU 54 HD13 LEU 54 9.170 -14.616 -14.616 414 2HD1 LEU 54 HD12 LEU 54 8.736 -13.647 -13.647 415 3HD1 LEU 54 HD11 LEU 54 9.214 -15.327 -15.327 416 1HD2 LEU 54 HD23 LEU 54 5.423 -14.202 -14.202 417 2HD2 LEU 54 HD22 LEU 54 6.287 -13.187 -13.187 418 3HD2 LEU 54 HD21 LEU 54 6.885 -13.350 -13.350 419 H LEU 55 HN LEU 55 10.387 -16.654 -16.654 420 HA LEU 55 HA LEU 55 11.587 -16.213 -16.213 421 1HB LEU 55 HB2 LEU 55 12.266 -15.373 -15.373 422 2HB LEU 55 HB1 LEU 55 13.317 -16.780 -16.780 423 HG LEU 55 HG LEU 55 13.229 -14.686 -14.686 424 1HD1 LEU 55 HD12 LEU 55 14.719 -14.725 -14.725 425 2HD1 LEU 55 HD11 LEU 55 15.472 -13.998 -13.998 426 3HD1 LEU 55 HD13 LEU 55 13.937 -13.373 -13.373 427 1HD2 LEU 55 HD22 LEU 55 14.400 -17.196 -17.196 428 2HD2 LEU 55 HD21 LEU 55 14.933 -15.868 -15.868 429 3HD2 LEU 55 HD23 LEU 55 15.720 -16.160 -16.160 430 H LEU 56 HN LEU 56 11.792 -18.820 -18.820 431 HA LEU 56 HA LEU 56 13.644 -20.385 -20.385 432 1HB LEU 56 HB2 LEU 56 13.170 -22.185 -22.185 433 2HB LEU 56 HB1 LEU 56 13.066 -20.701 -20.701 434 HG LEU 56 HG LEU 56 10.463 -21.020 -21.020 435 1HD1 LEU 56 HD13 LEU 56 11.101 -23.294 -23.294 436 2HD1 LEU 56 HD12 LEU 56 11.510 -23.741 -23.741 437 3HD1 LEU 56 HD11 LEU 56 9.845 -23.332 -23.332 438 1HD2 LEU 56 HD22 LEU 56 11.366 -20.462 -20.462 439 2HD2 LEU 56 HD21 LEU 56 9.933 -21.487 -21.487 440 3HD2 LEU 56 HD23 LEU 56 11.520 -22.199 -22.199 441 H LYS 57 HN LYS 57 10.171 -20.082 -20.082 442 HA LYS 57 HA LYS 57 9.793 -22.391 -22.391 443 1HB LYS 57 HB2 LYS 57 8.068 -20.593 -20.593 444 2HB LYS 57 HB1 LYS 57 8.113 -19.969 -19.969 445 1HG LYS 57 HG2 LYS 57 6.545 -21.530 -21.530 446 2HG LYS 57 HG1 LYS 57 7.842 -22.717 -22.717 447 1HD LYS 57 HD2 LYS 57 6.214 -21.828 -21.828 448 2HD LYS 57 HD1 LYS 57 5.822 -23.245 -23.245 449 1HE LYS 57 HE2 LYS 57 8.497 -22.811 -22.811 450 2HE LYS 57 HE1 LYS 57 7.188 -23.775 -23.775 451 1HZ LYS 57 HZ2 LYS 57 7.243 -25.161 -25.161 452 2HZ LYS 57 HZ1 LYS 57 8.555 -24.259 -24.259 453 3HZ LYS 57 HZ3 LYS 57 8.732 -25.179 -25.179 454 H GLY 58 HN GLY 58 9.364 -19.098 -19.098 455 1HA GLY 58 HA2 GLY 58 10.995 -19.780 -19.780 456 2HA GLY 58 HA1 GLY 58 9.928 -18.380 -18.380 457 H ALA 59 HN ALA 59 10.988 -16.465 -16.465 458 HA ALA 59 HA ALA 59 12.778 -15.900 -15.900 459 1HB ALA 59 HB1 ALA 59 14.152 -17.128 -17.128 460 2HB ALA 59 HB3 ALA 59 14.952 -15.793 -15.793 461 3HB ALA 59 HB2 ALA 59 14.530 -17.255 -17.255 462 H ASP 60 HN ASP 60 11.279 -14.094 -14.094 463 HA ASP 60 HA ASP 60 11.721 -12.374 -12.374 464 1HB ASP 60 HB2 ASP 60 9.562 -12.341 -12.341 465 2HB ASP 60 HB1 ASP 60 10.380 -11.823 -11.823 466 H ILE 61 HN ILE 61 13.550 -13.236 -13.236 467 HA ILE 61 HA ILE 61 14.661 -11.066 -11.066 468 HB ILE 61 HB ILE 61 15.236 -13.519 -13.519 469 1HG1 ILE 61 HG12 ILE 61 17.502 -11.520 -11.520 470 2HG1 ILE 61 HG11 ILE 61 16.597 -11.898 -11.898 471 1HG2 ILE 61 HG23 ILE 61 15.632 -13.599 -13.599 472 2HG2 ILE 61 HG22 ILE 61 17.244 -12.998 -12.998 473 3HG2 ILE 61 HG21 ILE 61 16.697 -14.541 -14.541 474 1HD1 ILE 61 HD13 ILE 61 17.416 -14.397 -14.397 475 2HD1 ILE 61 HD12 ILE 61 18.762 -13.434 -13.434 476 3HD1 ILE 61 HD11 ILE 61 18.317 -13.360 -13.360 477 H ASN 62 HN ASN 62 14.907 -11.839 -11.839 478 HA ASN 62 HA ASN 62 16.700 -9.493 -9.493 479 1HB ASN 62 HB2 ASN 62 17.813 -10.853 -10.853 480 2HB ASN 62 HB1 ASN 62 18.156 -11.383 -11.383 481 1HD2 ASN 62 HD21 ASN 62 14.977 -12.211 -12.211 482 2HD2 ASN 62 HD22 ASN 62 15.182 -13.801 -13.801 483 H ALA 63 HN ALA 63 14.172 -11.538 -11.538 484 HA ALA 63 HA ALA 63 13.557 -11.139 -11.139 485 1HB ALA 63 HB3 ALA 63 11.755 -10.522 -10.522 486 2HB ALA 63 HB2 ALA 63 11.160 -10.524 -10.524 487 3HB ALA 63 HB1 ALA 63 11.835 -11.994 -11.994 488 HA PRO 64 HA PRO 64 11.998 -6.354 -6.354 489 1HB PRO 64 HB2 PRO 64 14.820 -5.930 -5.930 490 2HB PRO 64 HB1 PRO 64 13.337 -5.102 -5.102 491 1HG PRO 64 HG2 PRO 64 14.567 -7.272 -7.272 492 2HG PRO 64 HG1 PRO 64 12.938 -6.654 -6.654 493 1HD PRO 64 HD2 PRO 64 13.553 -9.213 -9.213 494 2HD PRO 64 HD1 PRO 64 11.959 -8.441 -8.441 495 H ASP 65 HN ASP 65 12.007 -5.157 -5.157 496 HA ASP 65 HA ASP 65 14.319 -5.038 -5.038 497 1HB ASP 65 HB2 ASP 65 11.499 -5.944 -5.944 498 2HB ASP 65 HB1 ASP 65 12.504 -5.199 -5.199 499 H LYS 66 HN LYS 66 11.070 -3.943 -3.943 500 HA LYS 66 HA LYS 66 11.457 -1.307 -1.307 501 1HB LYS 66 HB2 LYS 66 9.283 -2.727 -2.727 502 2HB LYS 66 HB1 LYS 66 9.160 -2.140 -2.140 503 1HG LYS 66 HG2 LYS 66 9.609 -0.236 -0.236 504 2HG LYS 66 HG1 LYS 66 7.999 -0.791 -0.791 505 1HD LYS 66 HD2 LYS 66 8.757 -0.068 -0.068 506 2HD LYS 66 HD1 LYS 66 9.864 0.963 0.963 507 1HE LYS 66 HE2 LYS 66 6.887 0.898 0.898 508 2HE LYS 66 HE1 LYS 66 7.643 2.029 2.029 509 1HZ LYS 66 HZ3 LYS 66 9.124 2.070 2.070 510 2HZ LYS 66 HZ2 LYS 66 7.489 2.187 2.187 511 3HZ LYS 66 HZ1 LYS 66 8.158 3.306 3.306 512 H HIS 67 HN HIS 67 11.401 -2.817 -2.817 513 HA HIS 67 HA HIS 67 11.453 -0.321 -0.321 514 1HB HIS 67 HB2 HIS 67 11.854 -3.233 -3.233 515 2HB HIS 67 HB1 HIS 67 12.145 -1.975 -1.975 516 HD1 HIS 67 HD1 HIS 67 9.461 -1.114 -1.114 517 HD2 HIS 67 HD2 HIS 67 9.754 -3.127 -3.127 518 HE1 HIS 67 HE1 HIS 67 7.104 -1.294 -1.294 519 H HIS 68 HN HIS 68 13.720 -1.995 -1.995 520 HA HIS 68 HA HIS 68 16.080 -2.030 -2.030 521 1HB HIS 68 HB2 HIS 68 15.319 0.389 0.389 522 2HB HIS 68 HB1 HIS 68 15.836 0.768 0.768 523 HD1 HIS 68 HD1 HIS 68 18.424 -0.459 -0.459 524 HD2 HIS 68 HD2 HIS 68 17.399 0.869 0.869 525 HE1 HIS 68 HE1 HIS 68 20.601 -0.125 -0.125 526 H ILE 69 HN ILE 69 14.729 -2.777 -2.777 527 HA ILE 69 HA ILE 69 17.194 -2.614 -2.614 528 HB ILE 69 HB ILE 69 15.141 -0.767 -0.767 529 1HG1 ILE 69 HG12 ILE 69 17.499 -0.527 -0.527 530 2HG1 ILE 69 HG11 ILE 69 16.449 -0.222 -0.222 531 1HG2 ILE 69 HG21 ILE 69 13.747 -2.539 -2.539 532 2HG2 ILE 69 HG23 ILE 69 15.050 -2.934 -2.934 533 3HG2 ILE 69 HG22 ILE 69 14.254 -1.366 -1.366 534 1HD1 ILE 69 HD11 ILE 69 16.800 -2.811 -2.811 535 2HD1 ILE 69 HD13 ILE 69 18.254 -2.551 -2.551 536 3HD1 ILE 69 HD12 ILE 69 18.006 -1.650 -1.650 537 H THR 70 HN THR 70 17.300 -4.118 -4.118 538 HA THR 70 HA THR 70 15.369 -6.352 -6.352 539 HB THR 70 HB THR 70 17.427 -7.305 -7.305 540 HG1 THR 70 HG1 THR 70 17.310 -8.564 -8.564 541 1HG2 THR 70 HG23 THR 70 18.538 -5.174 -5.174 542 2HG2 THR 70 HG22 THR 70 19.526 -6.467 -6.467 543 3HG2 THR 70 HG21 THR 70 18.747 -5.307 -5.307 544 HA PRO 71 HA PRO 71 13.793 -5.510 -5.510 545 1HB PRO 71 HB2 PRO 71 13.785 -8.252 -8.252 546 2HB PRO 71 HB1 PRO 71 12.437 -7.262 -7.262 547 1HG PRO 71 HG2 PRO 71 13.497 -9.448 -9.448 548 2HG PRO 71 HG1 PRO 71 12.542 -8.153 -8.153 549 1HD PRO 71 HD2 PRO 71 15.492 -8.585 -8.585 550 2HD PRO 71 HD1 PRO 71 14.433 -7.789 -7.789 551 H LEU 72 HN LEU 72 16.945 -7.183 -7.183 552 HA LEU 72 HA LEU 72 17.155 -7.310 -7.310 553 1HB LEU 72 HB2 LEU 72 19.631 -6.254 -6.254 554 2HB LEU 72 HB1 LEU 72 19.394 -7.651 -7.651 555 HG LEU 72 HG LEU 72 20.137 -8.578 -8.578 556 1HD1 LEU 72 HD12 LEU 72 17.182 -8.751 -8.751 557 2HD1 LEU 72 HD11 LEU 72 17.882 -9.338 -9.338 558 3HD1 LEU 72 HD13 LEU 72 18.405 -10.008 -10.008 559 1HD2 LEU 72 HD21 LEU 72 18.394 -6.560 -6.560 560 2HD2 LEU 72 HD23 LEU 72 20.156 -6.618 -6.618 561 3HD2 LEU 72 HD22 LEU 72 19.266 -7.862 -7.862 562 H LEU 73 HN LEU 73 17.564 -4.542 -4.542 563 HA LEU 73 HA LEU 73 18.324 -2.794 -2.794 564 1HB LEU 73 HB2 LEU 73 17.213 -2.044 -2.044 565 2HB LEU 73 HB1 LEU 73 18.062 -0.975 -0.975 566 HG LEU 73 HG LEU 73 19.940 -2.835 -2.835 567 1HD1 LEU 73 HD11 LEU 73 18.091 -3.710 -3.710 568 2HD1 LEU 73 HD13 LEU 73 19.643 -3.295 -3.295 569 3HD1 LEU 73 HD12 LEU 73 19.567 -4.476 -4.476 570 1HD2 LEU 73 HD23 LEU 73 19.372 -0.637 -0.637 571 2HD2 LEU 73 HD22 LEU 73 20.527 -0.660 -0.660 572 3HD2 LEU 73 HD21 LEU 73 20.837 -1.606 -1.606 573 H SER 74 HN SER 74 15.320 -3.962 -3.962 574 HA SER 74 HA SER 74 13.579 -1.922 -1.922 575 1HB SER 74 HB2 SER 74 12.815 -3.845 -3.845 576 2HB SER 74 HB1 SER 74 13.124 -4.915 -4.915 577 HG SER 74 HG SER 74 11.013 -4.412 -4.412 578 H ALA 75 HN ALA 75 14.854 -4.726 -4.726 579 HA ALA 75 HA ALA 75 13.546 -3.994 -3.994 580 1HB ALA 75 HB3 ALA 75 15.610 -5.975 -5.975 581 2HB ALA 75 HB2 ALA 75 15.547 -5.561 -5.561 582 3HB ALA 75 HB1 ALA 75 14.123 -6.226 -6.226 583 H VAL 76 HN VAL 76 16.664 -3.259 -3.259 584 HA VAL 76 HA VAL 76 18.132 -2.316 -2.316 585 HB VAL 76 HB VAL 76 17.842 -1.254 -1.254 586 1HG1 VAL 76 HG13 VAL 76 18.748 0.432 0.432 587 2HG1 VAL 76 HG12 VAL 76 20.208 -0.527 -0.527 588 3HG1 VAL 76 HG11 VAL 76 19.503 0.315 0.315 589 1HG2 VAL 76 HG21 VAL 76 18.803 -3.508 -3.508 590 2HG2 VAL 76 HG23 VAL 76 20.006 -2.382 -2.382 591 3HG2 VAL 76 HG22 VAL 76 20.009 -2.815 -2.815 592 H TYR 77 HN TYR 77 16.097 -0.071 -0.071 593 HA TYR 77 HA TYR 77 16.047 1.873 1.873 594 1HB TYR 77 HB2 TYR 77 13.939 2.016 2.016 595 2HB TYR 77 HB1 TYR 77 15.038 3.268 3.268 596 HD1 TYR 77 HD2 TYR 77 17.277 3.505 3.505 597 HD2 TYR 77 HD1 TYR 77 14.602 0.455 0.455 598 HE1 TYR 77 HE2 TYR 77 18.734 3.131 3.131 599 HE2 TYR 77 HE1 TYR 77 16.055 0.078 0.078 600 HH TYR 77 HH TYR 77 17.770 0.947 0.947 601 H GLU 78 HN GLU 78 15.232 -0.491 -0.491 602 HA GLU 78 HA GLU 78 12.316 0.006 0.006 603 1HB GLU 78 HB2 GLU 78 12.992 -2.062 -2.062 604 2HB GLU 78 HB1 GLU 78 13.476 -2.775 -2.775 605 1HG GLU 78 HG2 GLU 78 10.740 -2.056 -2.056 606 2HG GLU 78 HG1 GLU 78 11.284 -3.485 -3.485 607 H GLY 79 HN GLY 79 15.388 -1.268 -1.268 608 1HA GLY 79 HA2 GLY 79 16.148 -0.951 -0.951 609 2HA GLY 79 HA1 GLY 79 14.467 -0.712 -0.712 610 H HIS 80 HN HIS 80 14.182 -3.094 -3.094 611 HA HIS 80 HA HIS 80 14.053 -5.175 -5.175 612 1HB HIS 80 HB2 HIS 80 13.178 -4.852 -4.852 613 2HB HIS 80 HB1 HIS 80 13.532 -6.500 -6.500 614 HD1 HIS 80 HD1 HIS 80 11.071 -7.262 -7.262 615 HD2 HIS 80 HD2 HIS 80 11.855 -3.899 -3.899 616 HE1 HIS 80 HE1 HIS 80 9.042 -6.930 -6.930 617 H VAL 81 HN VAL 81 15.684 -4.799 -4.799 618 HA VAL 81 HA VAL 81 17.516 -6.041 -6.041 619 HB VAL 81 HB VAL 81 19.560 -5.434 -5.434 620 1HG1 VAL 81 HG11 VAL 81 18.760 -4.307 -4.307 621 2HG1 VAL 81 HG13 VAL 81 17.873 -3.180 -3.180 622 3HG1 VAL 81 HG12 VAL 81 19.629 -3.269 -3.269 623 1HG2 VAL 81 HG23 VAL 81 18.096 -4.972 -4.972 624 2HG2 VAL 81 HG22 VAL 81 19.079 -3.586 -3.586 625 3HG2 VAL 81 HG21 VAL 81 17.370 -3.636 -3.636 626 H SER 82 HN SER 82 15.831 -7.505 -7.505 627 HA SER 82 HA SER 82 17.829 -9.373 -9.373 628 1HB SER 82 HB2 SER 82 14.880 -8.961 -8.961 629 2HB SER 82 HB1 SER 82 15.446 -10.619 -10.619 630 HG SER 82 HG SER 82 16.831 -9.910 -9.910 631 H CYS 83 HN CYS 83 15.755 -8.901 -8.901 632 HA CYS 83 HA CYS 83 15.999 -11.653 -11.653 633 1HB CYS 83 HB2 CYS 83 14.538 -11.006 -11.006 634 2HB CYS 83 HB1 CYS 83 14.020 -9.990 -9.990 635 HG CYS 83 HG CYS 83 14.906 -7.947 -7.947 636 H VAL 84 HN VAL 84 17.283 -8.421 -8.421 637 HA VAL 84 HA VAL 84 18.737 -9.018 -9.018 638 HB VAL 84 HB VAL 84 20.439 -7.376 -7.376 639 1HG1 VAL 84 HG13 VAL 84 17.588 -6.587 -6.587 640 2HG1 VAL 84 HG12 VAL 84 18.904 -5.470 -5.470 641 3HG1 VAL 84 HG11 VAL 84 18.337 -6.587 -6.587 642 1HG2 VAL 84 HG22 VAL 84 19.027 -7.833 -7.833 643 2HG2 VAL 84 HG21 VAL 84 20.756 -7.748 -7.748 644 3HG2 VAL 84 HG23 VAL 84 19.782 -6.279 -6.279 645 H LYS 85 HN LYS 85 19.840 -9.483 -9.483 646 HA LYS 85 HA LYS 85 22.275 -10.800 -10.800 647 1HB LYS 85 HB2 LYS 85 20.487 -10.414 -10.414 648 2HB LYS 85 HB1 LYS 85 21.235 -12.001 -12.001 649 1HG LYS 85 HG2 LYS 85 23.431 -11.094 -11.094 650 2HG LYS 85 HG1 LYS 85 22.874 -9.515 -9.515 651 1HD LYS 85 HD2 LYS 85 21.578 -9.311 -9.311 652 2HD LYS 85 HD1 LYS 85 22.389 -10.778 -10.778 653 1HE LYS 85 HE2 LYS 85 24.455 -9.137 -9.137 654 2HE LYS 85 HE1 LYS 85 23.402 -8.053 -8.053 655 1HZ LYS 85 HZ1 LYS 85 23.570 -10.307 -10.307 656 2HZ LYS 85 HZ3 LYS 85 25.147 -10.100 -10.100 657 3HZ LYS 85 HZ2 LYS 85 24.392 -8.843 -8.843 658 H LEU 86 HN LEU 86 19.068 -12.128 -12.128 659 HA LEU 86 HA LEU 86 19.614 -14.881 -14.881 660 1HB LEU 86 HB2 LEU 86 17.532 -13.448 -13.448 661 2HB LEU 86 HB1 LEU 86 16.918 -13.749 -13.749 662 HG LEU 86 HG LEU 86 17.909 -15.895 -15.895 663 1HD1 LEU 86 HD13 LEU 86 15.096 -15.066 -15.066 664 2HD1 LEU 86 HD12 LEU 86 15.504 -16.449 -16.449 665 3HD1 LEU 86 HD11 LEU 86 15.836 -14.812 -14.812 666 1HD2 LEU 86 HD23 LEU 86 16.728 -15.900 -15.900 667 2HD2 LEU 86 HD22 LEU 86 18.150 -16.759 -16.759 668 3HD2 LEU 86 HD21 LEU 86 16.537 -17.296 -17.296 669 H LEU 87 HN LEU 87 19.244 -12.187 -12.187 670 HA LEU 87 HA LEU 87 18.195 -13.716 -13.716 671 1HB LEU 87 HB2 LEU 87 18.758 -10.953 -10.953 672 2HB LEU 87 HB1 LEU 87 19.314 -11.337 -11.337 673 HG LEU 87 HG LEU 87 16.564 -12.075 -12.075 674 1HD1 LEU 87 HD11 LEU 87 17.616 -9.510 -9.510 675 2HD1 LEU 87 HD13 LEU 87 16.035 -10.045 -10.045 676 3HD1 LEU 87 HD12 LEU 87 16.309 -9.780 -9.780 677 1HD2 LEU 87 HD23 LEU 87 17.996 -12.160 -12.160 678 2HD2 LEU 87 HD22 LEU 87 16.950 -13.369 -13.369 679 3HD2 LEU 87 HD21 LEU 87 16.249 -11.925 -11.925 680 H LEU 88 HN LEU 88 21.231 -11.800 -11.800 681 HA LEU 88 HA LEU 88 22.229 -13.197 -13.197 682 1HB LEU 88 HB2 LEU 88 24.407 -12.367 -12.367 683 2HB LEU 88 HB1 LEU 88 23.279 -11.135 -11.135 684 HG LEU 88 HG LEU 88 24.942 -11.297 -11.297 685 1HD1 LEU 88 HD12 LEU 88 22.522 -11.275 -11.275 686 2HD1 LEU 88 HD11 LEU 88 22.665 -13.006 -13.006 687 3HD1 LEU 88 HD13 LEU 88 23.652 -11.873 -11.873 688 1HD2 LEU 88 HD23 LEU 88 25.382 -13.857 -13.857 689 2HD2 LEU 88 HD22 LEU 88 26.031 -13.202 -13.202 690 3HD2 LEU 88 HD21 LEU 88 24.557 -14.166 -14.166 691 H SER 89 HN SER 89 21.737 -14.425 -14.425 692 HA SER 89 HA SER 89 23.764 -16.416 -16.416 693 1HB SER 89 HB2 SER 89 22.511 -17.330 -17.330 694 2HB SER 89 HB1 SER 89 21.745 -15.745 -15.745 695 HG SER 89 HG SER 89 20.114 -16.615 -16.615 696 H LYS 90 HN LYS 90 21.252 -15.893 -15.893 697 HA LYS 90 HA LYS 90 21.365 -18.707 -18.707 698 1HB LYS 90 HB2 LYS 90 19.114 -18.307 -18.307 699 2HB LYS 90 HB1 LYS 90 19.215 -16.610 -16.610 700 1HG LYS 90 HG2 LYS 90 18.885 -17.040 -17.040 701 2HG LYS 90 HG1 LYS 90 19.685 -18.608 -18.608 702 1HD LYS 90 HD2 LYS 90 17.157 -18.665 -18.665 703 2HD LYS 90 HD1 LYS 90 17.778 -19.671 -19.671 704 1HE LYS 90 HE2 LYS 90 17.032 -16.890 -16.890 705 2HE LYS 90 HE1 LYS 90 15.701 -17.957 -17.957 706 1HZ LYS 90 HZ1 LYS 90 17.609 -19.253 -19.253 707 2HZ LYS 90 HZ3 LYS 90 16.968 -17.866 -17.866 708 3HZ LYS 90 HZ2 LYS 90 15.928 -19.095 -19.095 709 H GLY 91 HN GLY 91 21.961 -15.367 -15.367 710 1HA GLY 91 HA2 GLY 91 23.752 -15.510 -15.510 711 2HA GLY 91 HA1 GLY 91 22.280 -15.874 -15.874 712 H ALA 92 HN ALA 92 20.849 -14.203 -14.203 713 HA ALA 92 HA ALA 92 20.345 -11.957 -11.957 714 1HB ALA 92 HB2 ALA 92 20.276 -12.378 -12.378 715 2HB ALA 92 HB1 ALA 92 20.795 -10.729 -10.729 716 3HB ALA 92 HB3 ALA 92 19.264 -11.317 -11.317 717 H ASP 93 HN ASP 93 23.402 -12.790 -12.790 718 HA ASP 93 HA ASP 93 25.468 -11.612 -11.612 719 1HB ASP 93 HB2 ASP 93 23.566 -10.213 -10.213 720 2HB ASP 93 HB1 ASP 93 25.235 -9.690 -9.690 721 H LYS 94 HN LYS 94 24.340 -8.515 -8.515 722 HA LYS 94 HA LYS 94 23.762 -7.612 -7.612 723 1HB LYS 94 HB2 LYS 94 26.324 -8.093 -8.093 724 2HB LYS 94 HB1 LYS 94 26.389 -6.624 -6.624 725 1HG LYS 94 HG2 LYS 94 25.102 -6.757 -6.757 726 2HG LYS 94 HG1 LYS 94 26.772 -6.287 -6.287 727 1HD LYS 94 HD2 LYS 94 25.953 -4.180 -4.180 728 2HD LYS 94 HD1 LYS 94 25.477 -4.674 -4.674 729 1HE LYS 94 HE2 LYS 94 23.423 -3.949 -3.949 730 2HE LYS 94 HE1 LYS 94 23.336 -5.604 -5.604 731 1HZ LYS 94 HZ3 LYS 94 24.603 -3.555 -3.555 732 2HZ LYS 94 HZ2 LYS 94 22.907 -3.616 -3.616 733 3HZ LYS 94 HZ1 LYS 94 23.783 -4.967 -4.967 734 H THR 95 HN THR 95 25.406 -6.420 -6.420 735 HA THR 95 HA THR 95 23.356 -4.244 -4.244 736 HB THR 95 HB THR 95 25.891 -3.778 -3.778 737 HG1 THR 95 HG1 THR 95 26.457 -5.111 -5.111 738 1HG2 THR 95 HG22 THR 95 24.147 -2.343 -2.343 739 2HG2 THR 95 HG21 THR 95 25.792 -1.774 -1.774 740 3HG2 THR 95 HG23 THR 95 24.652 -1.842 -1.842 741 H VAL 96 HN VAL 96 22.832 -6.710 -6.710 742 HA VAL 96 HA VAL 96 23.769 -6.882 -6.882 743 HB VAL 96 HB VAL 96 22.133 -8.469 -8.469 744 1HG1 VAL 96 HG11 VAL 96 21.375 -8.494 -8.494 745 2HG1 VAL 96 HG13 VAL 96 20.860 -9.676 -9.676 746 3HG1 VAL 96 HG12 VAL 96 20.330 -8.002 -8.002 747 1HG2 VAL 96 HG21 VAL 96 23.807 -9.140 -9.140 748 2HG2 VAL 96 HG23 VAL 96 24.353 -9.152 -9.152 749 3HG2 VAL 96 HG22 VAL 96 23.151 -10.322 -10.322 750 H LYS 97 HN LYS 97 21.658 -4.700 -4.700 751 HA LYS 97 HA LYS 97 20.599 -4.022 -4.022 752 1HB LYS 97 HB2 LYS 97 19.092 -5.885 -5.885 753 2HB LYS 97 HB1 LYS 97 18.417 -4.503 -4.503 754 1HG LYS 97 HG2 LYS 97 17.066 -4.536 -4.536 755 2HG LYS 97 HG1 LYS 97 18.335 -3.418 -3.418 756 1HD LYS 97 HD2 LYS 97 19.552 -5.499 -5.499 757 2HD LYS 97 HD1 LYS 97 18.008 -6.329 -6.329 758 1HE LYS 97 HE2 LYS 97 18.309 -5.381 -5.381 759 2HE LYS 97 HE1 LYS 97 16.913 -4.701 -4.701 760 1HZ LYS 97 HZ2 LYS 97 19.464 -3.326 -3.326 761 2HZ LYS 97 HZ1 LYS 97 18.725 -3.203 -3.203 762 3HZ LYS 97 HZ3 LYS 97 17.894 -2.689 -2.689 763 H GLY 98 HN GLY 98 21.220 -3.109 -3.109 764 1HA GLY 98 HA2 GLY 98 19.553 -0.723 -0.723 765 2HA GLY 98 HA1 GLY 98 20.840 -1.036 -1.036 766 HA PRO 99 HA PRO 99 21.806 2.392 2.392 767 1HB PRO 99 HB2 PRO 99 22.771 3.548 3.548 768 2HB PRO 99 HB1 PRO 99 21.893 4.344 4.344 769 1HG PRO 99 HG2 PRO 99 20.732 3.551 3.551 770 2HG PRO 99 HG1 PRO 99 19.834 3.809 3.809 771 1HD PRO 99 HD2 PRO 99 20.361 1.277 1.277 772 2HD PRO 99 HD1 PRO 99 19.310 1.582 1.582 773 H ASP 100 HN ASP 100 23.838 2.185 2.185 774 HA ASP 100 HA ASP 100 25.777 0.396 0.396 775 1HB ASP 100 HB2 ASP 100 26.197 2.461 2.461 776 2HB ASP 100 HB1 ASP 100 26.559 3.325 3.325 777 H GLY 101 HN GLY 101 27.305 2.899 2.899 778 1HA GLY 101 HA2 GLY 101 27.814 1.299 1.299 779 2HA GLY 101 HA1 GLY 101 28.071 3.038 3.038 780 H LEU 102 HN LEU 102 24.846 2.600 2.600 781 HA LEU 102 HA LEU 102 23.882 3.796 3.796 782 1HB LEU 102 HB2 LEU 102 22.511 3.410 3.410 783 2HB LEU 102 HB1 LEU 102 22.241 1.766 1.766 784 HG LEU 102 HG LEU 102 21.550 4.316 4.316 785 1HD1 LEU 102 HD11 LEU 102 19.959 2.434 2.434 786 2HD1 LEU 102 HD13 LEU 102 19.185 3.150 3.150 787 3HD1 LEU 102 HD12 LEU 102 19.836 4.188 4.188 788 1HD2 LEU 102 HD23 LEU 102 21.383 1.419 1.419 789 2HD2 LEU 102 HD22 LEU 102 21.984 2.779 2.779 790 3HD2 LEU 102 HD21 LEU 102 20.255 2.586 2.586 791 H THR 103 HN THR 103 23.224 0.425 0.425 792 HA THR 103 HA THR 103 22.692 -1.217 -1.217 793 HB THR 103 HB THR 103 24.706 -2.285 -2.285 794 HG1 THR 103 HG1 THR 103 26.561 -1.094 -1.094 795 1HG2 THR 103 HG22 THR 103 24.732 -0.981 -0.981 796 2HG2 THR 103 HG21 THR 103 26.025 -0.071 -0.071 797 3HG2 THR 103 HG23 THR 103 26.183 -1.813 -1.813 798 H ALA 104 HN ALA 104 25.016 -0.708 -0.708 799 HA ALA 104 HA ALA 104 23.116 0.394 0.394 800 1HB ALA 104 HB3 ALA 104 25.738 -1.039 -1.039 801 2HB ALA 104 HB2 ALA 104 25.133 -0.193 -0.193 802 3HB ALA 104 HB1 ALA 104 24.201 -1.503 -1.503 803 H LEU 105 HN LEU 105 25.920 1.454 1.454 804 HA LEU 105 HA LEU 105 26.964 3.383 3.383 805 1HB LEU 105 HB2 LEU 105 26.913 3.761 3.761 806 2HB LEU 105 HB1 LEU 105 28.148 4.251 4.251 807 HG LEU 105 HG LEU 105 27.459 1.388 1.388 808 1HD1 LEU 105 HD13 LEU 105 28.593 2.737 2.737 809 2HD1 LEU 105 HD12 LEU 105 29.926 3.007 3.007 810 3HD1 LEU 105 HD11 LEU 105 29.549 1.372 1.372 811 1HD2 LEU 105 HD23 LEU 105 29.556 2.627 2.627 812 2HD2 LEU 105 HD22 LEU 105 28.280 1.503 1.503 813 3HD2 LEU 105 HD21 LEU 105 29.612 0.951 0.951 814 H GLU 106 HN GLU 106 25.083 4.265 4.265 815 HA GLU 106 HA GLU 106 24.539 6.863 6.863 816 1HB GLU 106 HB2 GLU 106 24.439 7.267 7.267 817 2HB GLU 106 HB1 GLU 106 24.293 5.557 5.557 818 1HG GLU 106 HG2 GLU 106 22.305 6.418 6.418 819 2HG GLU 106 HG1 GLU 106 21.790 5.880 5.880 820 H ALA 107 HN ALA 107 23.187 3.883 3.883 821 HA ALA 107 HA ALA 107 20.400 4.652 4.652 822 1HB ALA 107 HB1 ALA 107 21.929 2.305 2.305 823 2HB ALA 107 HB3 ALA 107 20.194 2.499 2.499 824 3HB ALA 107 HB2 ALA 107 20.872 2.335 2.335 825 H THR 108 HN THR 108 22.901 4.240 4.240 826 HA THR 108 HA THR 108 21.327 6.098 6.098 827 HB THR 108 HB THR 108 20.298 3.859 3.859 828 HG1 THR 108 HG1 THR 108 21.101 5.539 5.539 829 1HG2 THR 108 HG23 THR 108 22.725 2.829 2.829 830 2HG2 THR 108 HG22 THR 108 22.791 2.969 2.969 831 3HG2 THR 108 HG21 THR 108 21.528 2.007 2.007 832 H ASP 109 HN ASP 109 22.334 5.251 5.251 833 HA ASP 109 HA ASP 109 25.266 5.427 5.427 834 1HB ASP 109 HB2 ASP 109 24.374 7.765 7.765 835 2HB ASP 109 HB1 ASP 109 23.603 7.239 7.239 836 H ASN 110 HN ASN 110 22.454 4.047 4.047 837 HA ASN 110 HA ASN 110 23.457 3.417 3.417 838 1HB ASN 110 HB2 ASN 110 21.615 1.637 1.637 839 2HB ASN 110 HB1 ASN 110 21.071 3.298 3.298 840 1HD2 ASN 110 HD21 ASN 110 22.641 1.399 1.399 841 2HD2 ASN 110 HD22 ASN 110 21.300 1.354 1.354 842 H GLN 111 HN GLN 111 24.441 1.373 1.373 843 HA GLN 111 HA GLN 111 26.046 0.322 0.322 844 1HB GLN 111 HB2 GLN 111 27.223 0.898 0.898 845 2HB GLN 111 HB1 GLN 111 26.118 0.006 0.006 846 1HG GLN 111 HG2 GLN 111 26.974 -2.080 -2.080 847 2HG GLN 111 HG1 GLN 111 27.718 -1.401 -1.401 848 1HE2 GLN 111 HE21 GLN 111 29.745 -0.230 -0.230 849 2HE2 GLN 111 HE22 GLN 111 30.646 -0.312 -0.312 850 H ALA 112 HN ALA 112 23.037 -0.661 -0.661 851 HA ALA 112 HA ALA 112 23.626 -3.546 -3.546 852 1HB ALA 112 HB1 ALA 112 21.667 -2.640 -2.640 853 2HB ALA 112 HB3 ALA 112 20.961 -2.133 -2.133 854 3HB ALA 112 HB2 ALA 112 21.194 -3.848 -3.848 855 H ILE 113 HN ILE 113 22.445 -1.094 -1.094 856 HA ILE 113 HA ILE 113 21.881 -2.745 -2.745 857 HB ILE 113 HB ILE 113 22.374 0.154 0.154 858 1HG1 ILE 113 HG12 ILE 113 20.149 0.304 0.304 859 2HG1 ILE 113 HG11 ILE 113 20.089 -1.452 -1.452 860 1HG2 ILE 113 HG21 ILE 113 22.406 -1.080 -1.080 861 2HG2 ILE 113 HG23 ILE 113 21.949 0.603 0.603 862 3HG2 ILE 113 HG22 ILE 113 23.553 0.048 0.048 863 1HD1 ILE 113 HD13 ILE 113 20.731 -0.620 -0.620 864 2HD1 ILE 113 HD12 ILE 113 19.575 0.588 0.588 865 3HD1 ILE 113 HD11 ILE 113 19.134 -1.115 -1.115 866 H LYS 114 HN LYS 114 24.532 -0.684 -0.684 867 HA LYS 114 HA LYS 114 26.286 -1.179 -1.179 868 1HB LYS 114 HB2 LYS 114 27.084 -0.792 -0.792 869 2HB LYS 114 HB1 LYS 114 28.025 -0.359 -0.359 870 1HG LYS 114 HG2 LYS 114 25.299 0.840 0.840 871 2HG LYS 114 HG1 LYS 114 26.789 1.572 1.572 872 1HD LYS 114 HD2 LYS 114 27.554 1.395 1.395 873 2HD LYS 114 HD1 LYS 114 25.832 1.239 1.239 874 1HE LYS 114 HE2 LYS 114 26.377 3.576 3.576 875 2HE LYS 114 HE1 LYS 114 25.466 3.343 3.343 876 1HZ LYS 114 HZ1 LYS 114 28.166 2.905 2.905 877 2HZ LYS 114 HZ3 LYS 114 28.058 4.357 4.357 878 3HZ LYS 114 HZ2 LYS 114 27.171 4.161 4.161 879 H ALA 115 HN ALA 115 25.032 -3.290 -3.290 880 HA ALA 115 HA ALA 115 27.212 -5.106 -5.106 881 1HB ALA 115 HB1 ALA 115 24.969 -5.104 -5.104 882 2HB ALA 115 HB3 ALA 115 24.311 -5.950 -5.950 883 3HB ALA 115 HB2 ALA 115 25.620 -6.673 -6.673 884 H LEU 116 HN LEU 116 24.614 -4.802 -4.802 885 HA LEU 116 HA LEU 116 25.471 -7.158 -7.158 886 1HB LEU 116 HB2 LEU 116 23.492 -5.037 -5.037 887 2HB LEU 116 HB1 LEU 116 24.300 -5.432 -5.432 888 HG LEU 116 HG LEU 116 22.719 -7.282 -7.282 889 1HD1 LEU 116 HD11 LEU 116 22.533 -6.510 -6.510 890 2HD1 LEU 116 HD13 LEU 116 21.484 -7.680 -7.680 891 3HD1 LEU 116 HD12 LEU 116 21.445 -5.985 -5.985 892 1HD2 LEU 116 HD22 LEU 116 24.874 -7.926 -7.926 893 2HD2 LEU 116 HD21 LEU 116 24.329 -8.840 -8.840 894 3HD2 LEU 116 HD23 LEU 116 23.404 -8.895 -8.895 895 H LEU 117 HN LEU 117 26.865 -4.145 -4.145 896 HA LEU 117 HA LEU 117 28.268 -4.006 -4.006 897 1HB LEU 117 HB2 LEU 117 27.662 -2.094 -2.094 898 2HB LEU 117 HB1 LEU 117 29.315 -2.471 -2.471 899 HG LEU 117 HG LEU 117 29.309 -0.631 -0.631 900 1HD1 LEU 117 HD12 LEU 117 31.123 -2.366 -2.366 901 2HD1 LEU 117 HD11 LEU 117 30.256 -3.146 -3.146 902 3HD1 LEU 117 HD13 LEU 117 30.881 -1.508 -1.508 903 1HD2 LEU 117 HD23 LEU 117 27.281 -2.252 -2.252 904 2HD2 LEU 117 HD22 LEU 117 27.698 -0.565 -0.565 905 3HD2 LEU 117 HD21 LEU 117 28.559 -1.830 -1.830 906 H GLN 118 HN GLN 118 28.367 -6.000 -6.000 907 HA GLN 118 HA GLN 118 31.157 -6.179 -6.179 908 1HB GLN 118 HB2 GLN 118 30.583 -8.311 -8.311 909 2HB GLN 118 HB1 GLN 118 29.290 -7.169 -7.169 910 1HG GLN 118 HG2 GLN 118 28.048 -8.995 -8.995 911 2HG GLN 118 HG1 GLN 118 28.256 -8.101 -8.101 912 1HE2 GLN 118 HE21 GLN 118 29.226 -9.228 -9.228 913 2HE2 GLN 118 HE22 GLN 118 30.071 -10.690 -10.690 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -13.537 -12.672 -12.672 2 2H MET 1 HT3 MET 1 -13.299 -12.683 -12.683 3 3H MET 1 HT2 MET 1 -12.919 -14.060 -14.060 4 HA MET 1 HA MET 1 -10.847 -13.336 -13.336 5 1HB MET 1 HB2 MET 1 -11.928 -10.706 -10.706 6 2HB MET 1 HB1 MET 1 -10.218 -11.114 -11.114 7 1HG MET 1 HG2 MET 1 -10.643 -13.108 -13.108 8 2HG MET 1 HG1 MET 1 -12.279 -12.501 -12.501 9 1HE MET 1 HE1 MET 1 -12.507 -11.947 -11.947 10 2HE MET 1 HE3 MET 1 -11.203 -11.388 -11.388 11 3HE MET 1 HE2 MET 1 -11.070 -12.939 -12.939 12 H CYS 2 HN CYS 2 -9.611 -12.543 -12.543 13 HA CYS 2 HA CYS 2 -10.704 -10.412 -10.412 14 1HB CYS 2 HB2 CYS 2 -10.191 -13.238 -13.238 15 2HB CYS 2 HB1 CYS 2 -10.467 -11.853 -11.853 16 HG CYS 2 HG CYS 2 -12.855 -11.628 -11.628 17 H ASP 3 HN ASP 3 -8.532 -9.998 -9.998 18 HA ASP 3 HA ASP 3 -6.028 -10.947 -10.947 19 1HB ASP 3 HB2 ASP 3 -6.758 -8.164 -8.164 20 2HB ASP 3 HB1 ASP 3 -5.118 -8.810 -8.810 21 H LYS 4 HN LYS 4 -8.120 -8.582 -8.582 22 HA LYS 4 HA LYS 4 -6.380 -7.219 -7.219 23 1HB LYS 4 HB2 LYS 4 -9.144 -8.258 -8.258 24 2HB LYS 4 HB1 LYS 4 -8.300 -6.947 -6.947 25 1HG LYS 4 HG2 LYS 4 -8.172 -5.744 -5.744 26 2HG LYS 4 HG1 LYS 4 -9.220 -6.993 -6.993 27 1HD LYS 4 HD2 LYS 4 -10.909 -6.453 -6.453 28 2HD LYS 4 HD1 LYS 4 -9.881 -5.117 -5.117 29 1HE LYS 4 HE2 LYS 4 -11.533 -4.212 -4.212 30 2HE LYS 4 HE1 LYS 4 -9.989 -4.229 -4.229 31 1HZ LYS 4 HZ2 LYS 4 -11.493 -6.667 -6.667 32 2HZ LYS 4 HZ1 LYS 4 -12.284 -5.310 -5.310 33 3HZ LYS 4 HZ3 LYS 4 -10.730 -5.722 -5.722 34 H GLU 5 HN GLU 5 -8.306 -9.981 -9.981 35 HA GLU 5 HA GLU 5 -6.801 -10.418 -10.418 36 1HB GLU 5 HB2 GLU 5 -8.667 -12.000 -12.000 37 2HB GLU 5 HB1 GLU 5 -7.524 -12.991 -12.991 38 1HG GLU 5 HG2 GLU 5 -9.473 -12.620 -12.620 39 2HG GLU 5 HG1 GLU 5 -8.129 -11.696 -11.696 40 H PHE 6 HN PHE 6 -6.193 -11.713 -11.713 41 HA PHE 6 HA PHE 6 -4.112 -13.510 -13.510 42 1HB PHE 6 HB2 PHE 6 -4.864 -13.520 -13.520 43 2HB PHE 6 HB1 PHE 6 -4.723 -11.772 -11.772 44 HD1 PHE 6 HD2 PHE 6 -2.239 -14.281 -14.281 45 HD2 PHE 6 HD1 PHE 6 -3.223 -11.402 -11.402 46 HE1 PHE 6 HE2 PHE 6 0.015 -14.558 -14.558 47 HE2 PHE 6 HE1 PHE 6 -0.971 -11.679 -11.679 48 HZ PHE 6 HZ PHE 6 0.648 -13.257 -13.257 49 H MET 7 HN MET 7 -3.580 -10.102 -10.102 50 HA MET 7 HA MET 7 -0.817 -10.208 -10.208 51 1HB MET 7 HB2 MET 7 -0.633 -8.117 -8.117 52 2HB MET 7 HB1 MET 7 -2.177 -8.576 -8.576 53 1HG MET 7 HG2 MET 7 -3.288 -7.507 -7.507 54 2HG MET 7 HG1 MET 7 -1.705 -6.837 -6.837 55 1HE MET 7 HE2 MET 7 -4.340 -7.445 -7.445 56 2HE MET 7 HE1 MET 7 -4.558 -5.963 -5.963 57 3HE MET 7 HE3 MET 7 -3.348 -7.154 -7.154 58 H TRP 8 HN TRP 8 -3.742 -9.060 -9.060 59 HA TRP 8 HA TRP 8 -2.590 -7.610 -7.610 60 1HB TRP 8 HB2 TRP 8 -5.072 -8.074 -8.074 61 2HB TRP 8 HB1 TRP 8 -4.828 -9.600 -9.600 62 HD1 TRP 8 HD1 TRP 8 -4.434 -9.532 -9.532 63 HE1 TRP 8 HE1 TRP 8 -4.690 -7.673 -7.673 64 HE3 TRP 8 HE3 TRP 8 -4.833 -5.461 -5.461 65 HZ2 TRP 8 HZ2 TRP 8 -5.020 -4.832 -4.832 66 HZ3 TRP 8 HZ3 TRP 8 -5.116 -3.192 -3.192 67 HH2 TRP 8 HH2 TRP 8 -5.210 -2.873 -2.873 68 H ALA 9 HN ALA 9 -1.989 -10.819 -10.819 69 HA ALA 9 HA ALA 9 -1.405 -11.727 -11.727 70 1HB ALA 9 HB1 ALA 9 -1.128 -13.037 -13.037 71 2HB ALA 9 HB3 ALA 9 -0.594 -13.800 -13.800 72 3HB ALA 9 HB2 ALA 9 -2.296 -13.405 -13.405 73 H LEU 10 HN LEU 10 0.482 -10.939 -10.939 74 HA LEU 10 HA LEU 10 3.064 -11.529 -11.529 75 1HB LEU 10 HB2 LEU 10 2.439 -8.935 -8.935 76 2HB LEU 10 HB1 LEU 10 3.942 -9.844 -9.844 77 HG LEU 10 HG LEU 10 1.664 -11.442 -11.442 78 1HD1 LEU 10 HD12 LEU 10 0.951 -9.116 -9.116 79 2HD1 LEU 10 HD11 LEU 10 2.445 -8.989 -8.989 80 3HD1 LEU 10 HD13 LEU 10 1.235 -10.196 -10.196 81 1HD2 LEU 10 HD23 LEU 10 4.291 -10.544 -10.544 82 2HD2 LEU 10 HD22 LEU 10 4.026 -12.048 -12.048 83 3HD2 LEU 10 HD21 LEU 10 3.238 -11.786 -11.786 84 H LYS 11 HN LYS 11 0.775 -9.266 -9.266 85 HA LYS 11 HA LYS 11 2.627 -7.377 -7.377 86 1HB LYS 11 HB2 LYS 11 0.530 -6.593 -6.593 87 2HB LYS 11 HB1 LYS 11 -0.371 -7.702 -7.702 88 1HG LYS 11 HG2 LYS 11 0.257 -6.525 -6.525 89 2HG LYS 11 HG1 LYS 11 1.470 -5.582 -5.582 90 1HD LYS 11 HD2 LYS 11 -0.162 -4.343 -4.343 91 2HD LYS 11 HD1 LYS 11 -1.437 -5.498 -5.498 92 1HE LYS 11 HE2 LYS 11 -1.575 -3.406 -3.406 93 2HE LYS 11 HE1 LYS 11 -1.381 -4.856 -4.856 94 1HZ LYS 11 HZ3 LYS 11 0.829 -3.060 -3.060 95 2HZ LYS 11 HZ2 LYS 11 0.093 -3.050 -3.050 96 3HZ LYS 11 HZ1 LYS 11 0.965 -4.413 -4.413 97 H ASN 12 HN ASN 12 -0.102 -8.959 -8.959 98 HA ASN 12 HA ASN 12 1.216 -8.683 -8.683 99 1HB ASN 12 HB2 ASN 12 -1.266 -8.596 -8.596 100 2HB ASN 12 HB1 ASN 12 -1.218 -10.350 -10.350 101 1HD2 ASN 12 HD21 ASN 12 0.654 -8.327 -8.327 102 2HD2 ASN 12 HD22 ASN 12 -0.021 -9.013 -9.013 103 H GLY 13 HN GLY 13 2.629 -10.429 -10.429 104 1HA GLY 13 HA2 GLY 13 3.788 -12.450 -12.450 105 2HA GLY 13 HA1 GLY 13 3.490 -12.410 -12.410 106 H ASP 14 HN ASP 14 0.638 -12.401 -12.401 107 HA ASP 14 HA ASP 14 -0.159 -14.960 -14.960 108 1HB ASP 14 HB2 ASP 14 -1.414 -13.763 -13.763 109 2HB ASP 14 HB1 ASP 14 -2.147 -14.689 -14.689 110 H LEU 15 HN LEU 15 2.211 -15.325 -15.325 111 HA LEU 15 HA LEU 15 2.784 -15.998 -15.998 112 1HB LEU 15 HB2 LEU 15 4.322 -16.102 -16.102 113 2HB LEU 15 HB1 LEU 15 3.510 -17.574 -17.574 114 HG LEU 15 HG LEU 15 5.738 -17.747 -17.747 115 1HD1 LEU 15 HD12 LEU 15 3.933 -19.542 -19.542 116 2HD1 LEU 15 HD11 LEU 15 3.526 -19.430 -19.430 117 3HD1 LEU 15 HD13 LEU 15 5.149 -19.906 -19.906 118 1HD2 LEU 15 HD22 LEU 15 4.812 -16.207 -16.207 119 2HD2 LEU 15 HD21 LEU 15 5.596 -17.690 -17.690 120 3HD2 LEU 15 HD23 LEU 15 3.838 -17.585 -17.585 121 H ASP 16 HN ASP 16 0.777 -17.787 -17.787 122 HA ASP 16 HA ASP 16 0.569 -20.226 -20.226 123 1HB ASP 16 HB2 ASP 16 -1.628 -18.967 -18.967 124 2HB ASP 16 HB1 ASP 16 -1.310 -20.680 -20.680 125 H GLU 17 HN GLU 17 -0.987 -17.105 -17.105 126 HA GLU 17 HA GLU 17 -3.043 -18.093 -18.093 127 1HB GLU 17 HB2 GLU 17 -2.188 -15.409 -15.409 128 2HB GLU 17 HB1 GLU 17 -3.204 -15.492 -15.492 129 1HG GLU 17 HG2 GLU 17 -4.845 -16.859 -16.859 130 2HG GLU 17 HG1 GLU 17 -3.835 -16.772 -16.772 131 H VAL 18 HN VAL 18 -0.032 -16.166 -16.166 132 HA VAL 18 HA VAL 18 -0.315 -16.056 -16.056 133 HB VAL 18 HB VAL 18 2.405 -16.048 -16.048 134 1HG1 VAL 18 HG12 VAL 18 0.860 -14.246 -14.246 135 2HG1 VAL 18 HG11 VAL 18 0.718 -13.655 -13.655 136 3HG1 VAL 18 HG13 VAL 18 2.290 -13.677 -13.677 137 1HG2 VAL 18 HG21 VAL 18 1.822 -16.515 -16.515 138 2HG2 VAL 18 HG23 VAL 18 3.024 -15.285 -15.285 139 3HG2 VAL 18 HG22 VAL 18 1.382 -14.804 -14.804 140 H LYS 19 HN LYS 19 0.809 -18.426 -18.426 141 HA LYS 19 HA LYS 19 2.300 -20.118 -20.118 142 1HB LYS 19 HB2 LYS 19 2.259 -20.214 -20.214 143 2HB LYS 19 HB1 LYS 19 0.657 -20.941 -20.941 144 1HG LYS 19 HG2 LYS 19 1.469 -22.927 -22.927 145 2HG LYS 19 HG1 LYS 19 2.922 -22.165 -22.165 146 1HD LYS 19 HD2 LYS 19 2.535 -22.191 -22.191 147 2HD LYS 19 HD1 LYS 19 3.048 -23.680 -23.680 148 1HE LYS 19 HE2 LYS 19 4.936 -22.472 -22.472 149 2HE LYS 19 HE1 LYS 19 4.434 -20.990 -20.990 150 1HZ LYS 19 HZ3 LYS 19 4.700 -23.248 -23.248 151 2HZ LYS 19 HZ2 LYS 19 6.156 -22.819 -22.819 152 3HZ LYS 19 HZ1 LYS 19 5.308 -21.673 -21.673 153 H ASP 20 HN ASP 20 -1.133 -19.807 -19.807 154 HA ASP 20 HA ASP 20 -1.899 -22.270 -22.270 155 1HB ASP 20 HB2 ASP 20 -3.315 -20.867 -20.867 156 2HB ASP 20 HB1 ASP 20 -3.619 -19.796 -19.796 157 H TYR 21 HN TYR 21 -1.806 -18.890 -18.890 158 HA TYR 21 HA TYR 21 -2.850 -19.409 -19.409 159 1HB TYR 21 HB2 TYR 21 -1.023 -17.236 -17.236 160 2HB TYR 21 HB1 TYR 21 -1.651 -17.254 -17.254 161 HD1 TYR 21 HD2 TYR 21 -4.080 -17.068 -17.068 162 HD2 TYR 21 HD1 TYR 21 -2.476 -16.798 -16.798 163 HE1 TYR 21 HE2 TYR 21 -6.232 -16.131 -16.131 164 HE2 TYR 21 HE1 TYR 21 -4.627 -15.865 -15.865 165 HH TYR 21 HH TYR 21 -7.105 -14.826 -14.826 166 H VAL 22 HN VAL 22 0.643 -19.126 -19.126 167 HA VAL 22 HA VAL 22 1.475 -19.871 -19.871 168 HB VAL 22 HB VAL 22 2.816 -18.820 -18.820 169 1HG1 VAL 22 HG11 VAL 22 2.806 -21.056 -21.056 170 2HG1 VAL 22 HG13 VAL 22 3.757 -21.699 -21.699 171 3HG1 VAL 22 HG12 VAL 22 4.427 -20.435 -20.435 172 1HG2 VAL 22 HG23 VAL 22 3.909 -20.403 -20.403 173 2HG2 VAL 22 HG22 VAL 22 3.554 -18.676 -18.676 174 3HG2 VAL 22 HG21 VAL 22 4.886 -19.328 -19.328 175 H ALA 23 HN ALA 23 0.226 -21.693 -21.693 176 HA ALA 23 HA ALA 23 1.448 -24.224 -24.224 177 1HB ALA 23 HB1 ALA 23 -0.232 -23.566 -23.566 178 2HB ALA 23 HB3 ALA 23 -1.485 -23.883 -23.883 179 3HB ALA 23 HB2 ALA 23 -0.397 -25.177 -25.177 180 H LYS 24 HN LYS 24 -0.832 -22.302 -22.302 181 HA LYS 24 HA LYS 24 -2.162 -24.185 -24.185 182 1HB LYS 24 HB2 LYS 24 -1.188 -21.380 -21.380 183 2HB LYS 24 HB1 LYS 24 -2.237 -22.284 -22.284 184 1HG LYS 24 HG2 LYS 24 -3.018 -22.013 -22.013 185 2HG LYS 24 HG1 LYS 24 -3.292 -20.659 -20.659 186 1HD LYS 24 HD2 LYS 24 -4.875 -21.788 -21.788 187 2HD LYS 24 HD1 LYS 24 -4.128 -23.361 -23.361 188 1HE LYS 24 HE2 LYS 24 -6.341 -23.015 -23.015 189 2HE LYS 24 HE1 LYS 24 -5.001 -23.452 -23.452 190 1HZ LYS 24 HZ1 LYS 24 -4.958 -20.696 -20.696 191 2HZ LYS 24 HZ3 LYS 24 -6.589 -21.108 -21.108 192 3HZ LYS 24 HZ2 LYS 24 -5.430 -21.622 -21.622 193 H GLY 25 HN GLY 25 0.343 -22.167 -22.167 194 1HA GLY 25 HA2 GLY 25 2.025 -24.425 -24.425 195 2HA GLY 25 HA1 GLY 25 1.062 -23.879 -23.879 196 H GLU 26 HN GLU 26 3.393 -22.775 -22.775 197 HA GLU 26 HA GLU 26 4.760 -20.836 -20.836 198 1HB GLU 26 HB2 GLU 26 6.321 -21.037 -21.037 199 2HB GLU 26 HB1 GLU 26 6.306 -22.334 -22.334 200 1HG GLU 26 HG2 GLU 26 4.773 -23.640 -23.640 201 2HG GLU 26 HG1 GLU 26 4.682 -22.326 -22.326 202 H ASP 27 HN ASP 27 3.862 -18.878 -18.878 203 HA ASP 27 HA ASP 27 3.614 -17.732 -17.732 204 1HB ASP 27 HB2 ASP 27 1.319 -18.512 -18.512 205 2HB ASP 27 HB1 ASP 27 1.501 -17.112 -17.112 206 H VAL 28 HN VAL 28 5.455 -17.642 -17.642 207 HA VAL 28 HA VAL 28 5.112 -15.026 -15.026 208 HB VAL 28 HB VAL 28 7.220 -15.534 -15.534 209 1HG1 VAL 28 HG13 VAL 28 5.139 -16.781 -16.781 210 2HG1 VAL 28 HG12 VAL 28 5.650 -18.102 -18.102 211 3HG1 VAL 28 HG11 VAL 28 6.630 -17.659 -17.659 212 1HG2 VAL 28 HG22 VAL 28 7.530 -17.306 -17.306 213 2HG2 VAL 28 HG21 VAL 28 8.759 -16.445 -16.445 214 3HG2 VAL 28 HG23 VAL 28 8.109 -17.966 -17.966 215 H ASN 29 HN ASN 29 4.926 -13.974 -13.974 216 HA ASN 29 HA ASN 29 7.425 -12.677 -12.677 217 1HB ASN 29 HB2 ASN 29 6.074 -14.374 -14.374 218 2HB ASN 29 HB1 ASN 29 7.507 -13.382 -13.382 219 1HD2 ASN 29 HD21 ASN 29 6.302 -16.258 -16.258 220 2HD2 ASN 29 HD22 ASN 29 7.821 -16.983 -16.983 221 H ARG 30 HN ARG 30 4.095 -12.743 -12.743 222 HA ARG 30 HA ARG 30 3.748 -10.514 -10.514 223 1HB ARG 30 HB2 ARG 30 1.310 -10.915 -10.915 224 2HB ARG 30 HB1 ARG 30 2.166 -12.309 -12.309 225 1HG ARG 30 HG2 ARG 30 1.496 -13.565 -13.565 226 2HG ARG 30 HG1 ARG 30 2.257 -12.469 -12.469 227 1HD ARG 30 HD2 ARG 30 0.259 -11.037 -11.037 228 2HD ARG 30 HD1 ARG 30 -0.519 -12.122 -12.122 229 HE ARG 30 HE ARG 30 -0.424 -12.411 -12.411 230 1HH1 ARG 30 HH21 ARG 30 -0.092 -14.262 -14.262 231 2HH1 ARG 30 HH22 ARG 30 -0.377 -15.776 -15.776 232 1HH2 ARG 30 HH11 ARG 30 -0.795 -14.374 -14.374 233 2HH2 ARG 30 HH12 ARG 30 -0.770 -15.841 -15.841 234 H THR 31 HN THR 31 3.054 -8.554 -8.554 235 HA THR 31 HA THR 31 3.529 -7.748 -7.748 236 HB THR 31 HB THR 31 1.969 -6.372 -6.372 237 HG1 THR 31 HG1 THR 31 3.899 -6.071 -6.071 238 1HG2 THR 31 HG21 THR 31 2.946 -5.437 -5.437 239 2HG2 THR 31 HG23 THR 31 2.574 -4.318 -4.318 240 3HG2 THR 31 HG22 THR 31 1.308 -5.354 -5.354 241 H LEU 32 HN LEU 32 2.164 -8.060 -8.060 242 HA LEU 32 HA LEU 32 -0.427 -9.238 -9.238 243 1HB LEU 32 HB2 LEU 32 -0.764 -9.040 -9.040 244 2HB LEU 32 HB1 LEU 32 0.674 -9.924 -9.924 245 HG LEU 32 HG LEU 32 1.209 -8.512 -8.512 246 1HD1 LEU 32 HD13 LEU 32 2.795 -8.650 -8.650 247 2HD1 LEU 32 HD12 LEU 32 2.392 -6.936 -6.936 248 3HD1 LEU 32 HD11 LEU 32 3.140 -7.513 -7.513 249 1HD2 LEU 32 HD22 LEU 32 -0.683 -6.761 -6.761 250 2HD2 LEU 32 HD21 LEU 32 0.441 -6.428 -6.428 251 3HD2 LEU 32 HD23 LEU 32 0.829 -5.907 -5.907 252 H GLU 33 HN GLU 33 0.555 -5.934 -5.934 253 HA GLU 33 HA GLU 33 -2.265 -5.104 -5.104 254 1HB GLU 33 HB2 GLU 33 -0.595 -4.043 -4.043 255 2HB GLU 33 HB1 GLU 33 0.286 -3.463 -3.463 256 1HG GLU 33 HG2 GLU 33 -1.153 -1.683 -1.683 257 2HG GLU 33 HG1 GLU 33 -1.714 -2.174 -2.174 258 H GLY 34 HN GLY 34 0.090 -3.136 -3.136 259 1HA GLY 34 HA2 GLY 34 -0.967 -3.817 -3.817 260 2HA GLY 34 HA1 GLY 34 -1.342 -2.187 -2.187 261 H GLY 35 HN GLY 35 1.224 -2.215 -2.215 262 1HA GLY 35 HA2 GLY 35 3.338 -2.306 -2.306 263 2HA GLY 35 HA1 GLY 35 2.919 -0.678 -0.678 264 H ARG 36 HN ARG 36 2.720 -3.487 -3.487 265 HA ARG 36 HA ARG 36 4.983 -2.363 -2.363 266 1HB ARG 36 HB2 ARG 36 2.716 -4.096 -4.096 267 2HB ARG 36 HB1 ARG 36 3.907 -3.219 -3.219 268 1HG ARG 36 HG2 ARG 36 2.121 -1.722 -1.722 269 2HG ARG 36 HG1 ARG 36 1.527 -2.176 -2.176 270 1HD ARG 36 HD2 ARG 36 2.435 -0.023 -0.023 271 2HD ARG 36 HD1 ARG 36 3.701 -1.105 -1.105 272 HE ARG 36 HE ARG 36 4.338 -0.711 -0.711 273 1HH1 ARG 36 HH21 ARG 36 3.653 1.278 1.278 274 2HH1 ARG 36 HH22 ARG 36 4.673 2.576 2.576 275 1HH2 ARG 36 HH11 ARG 36 5.673 0.977 0.977 276 2HH2 ARG 36 HH12 ARG 36 5.813 2.406 2.406 277 H LYS 37 HN LYS 37 5.251 -4.590 -4.590 278 HA LYS 37 HA LYS 37 6.052 -6.831 -6.831 279 1HB LYS 37 HB2 LYS 37 7.759 -5.265 -5.265 280 2HB LYS 37 HB1 LYS 37 8.196 -6.907 -6.907 281 1HG LYS 37 HG2 LYS 37 7.547 -4.871 -4.871 282 2HG LYS 37 HG1 LYS 37 9.139 -4.861 -4.861 283 1HD LYS 37 HD2 LYS 37 9.594 -7.097 -7.097 284 2HD LYS 37 HD1 LYS 37 7.922 -7.360 -7.360 285 1HE LYS 37 HE2 LYS 37 8.188 -5.620 -5.620 286 2HE LYS 37 HE1 LYS 37 9.879 -5.429 -5.429 287 1HZ LYS 37 HZ2 LYS 37 9.097 -8.157 -8.157 288 2HZ LYS 37 HZ1 LYS 37 8.965 -7.180 -7.180 289 3HZ LYS 37 HZ3 LYS 37 10.450 -7.305 -7.305 290 HA PRO 38 HA PRO 38 4.312 -8.954 -8.954 291 1HB PRO 38 HB2 PRO 38 4.870 -11.538 -11.538 292 2HB PRO 38 HB1 PRO 38 3.422 -10.617 -10.617 293 1HG PRO 38 HG2 PRO 38 5.774 -11.272 -11.272 294 2HG PRO 38 HG1 PRO 38 4.168 -10.731 -10.731 295 1HD PRO 38 HD2 PRO 38 6.558 -9.156 -9.156 296 2HD PRO 38 HD1 PRO 38 4.909 -8.588 -8.588 297 H LEU 39 HN LEU 39 7.235 -8.183 -8.183 298 HA LEU 39 HA LEU 39 8.507 -10.060 -10.060 299 1HB LEU 39 HB2 LEU 39 9.329 -10.161 -10.161 300 2HB LEU 39 HB1 LEU 39 9.970 -8.543 -8.543 301 HG LEU 39 HG LEU 39 11.747 -9.311 -9.311 302 1HD1 LEU 39 HD13 LEU 39 10.023 -11.536 -11.536 303 2HD1 LEU 39 HD12 LEU 39 11.688 -11.195 -11.195 304 3HD1 LEU 39 HD11 LEU 39 10.423 -10.024 -10.024 305 1HD2 LEU 39 HD21 LEU 39 11.506 -10.762 -10.762 306 2HD2 LEU 39 HD23 LEU 39 12.602 -11.353 -11.353 307 3HD2 LEU 39 HD22 LEU 39 10.990 -12.046 -12.046 308 H HIS 40 HN HIS 40 7.722 -6.879 -6.879 309 HA HIS 40 HA HIS 40 9.605 -5.418 -5.418 310 1HB HIS 40 HB2 HIS 40 8.661 -4.246 -4.246 311 2HB HIS 40 HB1 HIS 40 7.019 -4.683 -4.683 312 HD1 HIS 40 HD1 HIS 40 6.123 -3.566 -3.566 313 HD2 HIS 40 HD2 HIS 40 9.604 -1.894 -1.894 314 HE1 HIS 40 HE1 HIS 40 6.412 -1.322 -1.322 315 H TYR 41 HN TYR 41 6.130 -6.311 -6.311 316 HA TYR 41 HA TYR 41 5.897 -5.227 -5.227 317 1HB TYR 41 HB2 TYR 41 4.291 -7.566 -7.566 318 2HB TYR 41 HB1 TYR 41 3.803 -6.328 -6.328 319 HD1 TYR 41 HD1 TYR 41 4.553 -6.983 -6.983 320 HD2 TYR 41 HD2 TYR 41 2.956 -4.222 -4.222 321 HE1 TYR 41 HE1 TYR 41 3.630 -5.589 -5.589 322 HE2 TYR 41 HE2 TYR 41 2.043 -2.838 -2.838 323 HH TYR 41 HH TYR 41 1.315 -3.527 -3.527 324 H ALA 42 HN ALA 42 6.682 -8.378 -8.378 325 HA ALA 42 HA ALA 42 6.869 -9.796 -9.796 326 1HB ALA 42 HB1 ALA 42 6.893 -10.673 -10.673 327 2HB ALA 42 HB3 ALA 42 8.631 -10.391 -10.391 328 3HB ALA 42 HB2 ALA 42 7.850 -11.524 -11.524 329 H ALA 43 HN ALA 43 9.396 -8.466 -8.466 330 HA ALA 43 HA ALA 43 11.562 -8.722 -8.722 331 1HB ALA 43 HB3 ALA 43 11.024 -6.523 -6.523 332 2HB ALA 43 HB2 ALA 43 12.593 -6.879 -6.879 333 3HB ALA 43 HB1 ALA 43 11.825 -8.058 -8.058 334 H ASP 44 HN ASP 44 9.668 -5.768 -5.768 335 HA ASP 44 HA ASP 44 10.640 -4.212 -4.212 336 1HB ASP 44 HB2 ASP 44 9.258 -3.448 -3.448 337 2HB ASP 44 HB1 ASP 44 7.839 -4.082 -4.082 338 H CYS 45 HN CYS 45 7.943 -6.538 -6.538 339 HA CYS 45 HA CYS 45 8.081 -6.576 -6.576 340 1HB CYS 45 HB2 CYS 45 5.311 -6.121 -6.121 341 2HB CYS 45 HB1 CYS 45 6.101 -5.523 -5.523 342 HG CYS 45 HG CYS 45 6.504 -4.222 -4.222 343 H GLY 46 HN GLY 46 8.754 -8.694 -8.694 344 1HA GLY 46 HA2 GLY 46 6.308 -10.389 -10.389 345 2HA GLY 46 HA1 GLY 46 7.865 -10.701 -10.701 346 H GLN 47 HN GLN 47 7.795 -9.731 -9.731 347 HA GLN 47 HA GLN 47 8.607 -10.934 -10.934 348 1HB GLN 47 HB2 GLN 47 6.804 -12.929 -12.929 349 2HB GLN 47 HB1 GLN 47 7.641 -13.345 -13.345 350 1HG GLN 47 HG2 GLN 47 5.305 -12.434 -12.434 351 2HG GLN 47 HG1 GLN 47 6.556 -11.557 -11.557 352 1HE2 GLN 47 HE21 GLN 47 4.922 -11.455 -11.455 353 2HE2 GLN 47 HE22 GLN 47 4.877 -9.761 -9.761 354 H LEU 48 HN LEU 48 9.787 -11.009 -11.009 355 HA LEU 48 HA LEU 48 11.695 -11.795 -11.795 356 1HB LEU 48 HB2 LEU 48 12.220 -12.693 -12.693 357 2HB LEU 48 HB1 LEU 48 13.381 -12.912 -12.912 358 HG LEU 48 HG LEU 48 14.114 -10.818 -10.818 359 1HD1 LEU 48 HD12 LEU 48 11.292 -9.957 -9.957 360 2HD1 LEU 48 HD11 LEU 48 12.671 -8.870 -8.870 361 3HD1 LEU 48 HD13 LEU 48 12.638 -10.102 -10.102 362 1HD2 LEU 48 HD23 LEU 48 11.784 -10.639 -10.639 363 2HD2 LEU 48 HD22 LEU 48 13.482 -10.905 -10.905 364 3HD2 LEU 48 HD21 LEU 48 12.948 -9.331 -9.331 365 H GLU 49 HN GLU 49 9.327 -13.769 -13.769 366 HA GLU 49 HA GLU 49 10.666 -16.271 -16.271 367 1HB GLU 49 HB2 GLU 49 8.286 -17.216 -17.216 368 2HB GLU 49 HB1 GLU 49 9.376 -16.799 -16.799 369 1HG GLU 49 HG2 GLU 49 8.305 -14.640 -14.640 370 2HG GLU 49 HG1 GLU 49 7.290 -14.929 -14.929 371 H ILE 50 HN ILE 50 8.056 -14.046 -14.046 372 HA ILE 50 HA ILE 50 6.933 -15.454 -15.454 373 HB ILE 50 HB ILE 50 7.043 -12.466 -12.466 374 1HG1 ILE 50 HG12 ILE 50 5.783 -14.577 -14.577 375 2HG1 ILE 50 HG11 ILE 50 5.861 -12.851 -12.851 376 1HG2 ILE 50 HG22 ILE 50 6.289 -13.290 -13.290 377 2HG2 ILE 50 HG21 ILE 50 4.992 -14.170 -14.170 378 3HG2 ILE 50 HG23 ILE 50 5.047 -12.409 -12.409 379 1HD1 ILE 50 HD12 ILE 50 3.916 -14.026 -14.026 380 2HD1 ILE 50 HD11 ILE 50 3.528 -13.863 -13.863 381 3HD1 ILE 50 HD13 ILE 50 3.881 -12.428 -12.428 382 H LEU 51 HN LEU 51 9.606 -13.108 -13.108 383 HA LEU 51 HA LEU 51 9.745 -12.857 -12.857 384 1HB LEU 51 HB2 LEU 51 12.399 -12.607 -12.607 385 2HB LEU 51 HB1 LEU 51 11.247 -11.288 -11.288 386 HG LEU 51 HG LEU 51 12.486 -11.230 -11.230 387 1HD1 LEU 51 HD12 LEU 51 9.665 -11.310 -11.310 388 2HD1 LEU 51 HD11 LEU 51 10.122 -12.156 -12.156 389 3HD1 LEU 51 HD13 LEU 51 10.672 -10.507 -10.507 390 1HD2 LEU 51 HD22 LEU 51 12.817 -13.817 -13.817 391 2HD2 LEU 51 HD21 LEU 51 12.755 -13.000 -13.000 392 3HD2 LEU 51 HD23 LEU 51 11.333 -13.854 -13.854 393 H GLU 52 HN GLU 52 11.614 -15.014 -15.014 394 HA GLU 52 HA GLU 52 13.033 -16.456 -16.456 395 1HB GLU 52 HB2 GLU 52 11.876 -17.213 -17.213 396 2HB GLU 52 HB1 GLU 52 12.702 -18.420 -18.420 397 1HG GLU 52 HG2 GLU 52 14.739 -17.252 -17.252 398 2HG GLU 52 HG1 GLU 52 13.970 -15.756 -15.756 399 H PHE 53 HN PHE 53 9.677 -16.736 -16.736 400 HA PHE 53 HA PHE 53 9.051 -19.250 -19.250 401 1HB PHE 53 HB2 PHE 53 7.479 -18.367 -18.367 402 2HB PHE 53 HB1 PHE 53 7.523 -16.783 -16.783 403 HD1 PHE 53 HD1 PHE 53 6.416 -20.315 -20.315 404 HD2 PHE 53 HD2 PHE 53 5.939 -16.165 -16.165 405 HE1 PHE 53 HE1 PHE 53 4.380 -20.860 -20.860 406 HE2 PHE 53 HE2 PHE 53 3.917 -16.716 -16.716 407 HZ PHE 53 HZ PHE 53 3.126 -19.048 -19.048 408 H LEU 54 HN LEU 54 7.503 -16.459 -16.459 409 HA LEU 54 HA LEU 54 7.311 -17.710 -17.710 410 1HB LEU 54 HB2 LEU 54 6.713 -15.560 -15.560 411 2HB LEU 54 HB1 LEU 54 5.967 -15.757 -15.757 412 HG LEU 54 HG LEU 54 6.724 -13.581 -13.581 413 1HD1 LEU 54 HD12 LEU 54 7.781 -14.844 -14.844 414 2HD1 LEU 54 HD11 LEU 54 9.213 -15.099 -15.099 415 3HD1 LEU 54 HD13 LEU 54 8.766 -13.474 -13.474 416 1HD2 LEU 54 HD23 LEU 54 7.803 -13.686 -13.686 417 2HD2 LEU 54 HD22 LEU 54 8.609 -12.637 -12.637 418 3HD2 LEU 54 HD21 LEU 54 9.276 -14.228 -14.228 419 H LEU 55 HN LEU 55 10.163 -16.718 -16.718 420 HA LEU 55 HA LEU 55 11.453 -15.996 -15.996 421 1HB LEU 55 HB2 LEU 55 11.928 -14.975 -14.975 422 2HB LEU 55 HB1 LEU 55 12.926 -16.408 -16.408 423 HG LEU 55 HG LEU 55 13.198 -14.490 -14.490 424 1HD1 LEU 55 HD12 LEU 55 14.533 -14.653 -14.653 425 2HD1 LEU 55 HD11 LEU 55 15.382 -13.960 -13.960 426 3HD1 LEU 55 HD13 LEU 55 13.876 -13.234 -13.234 427 1HD2 LEU 55 HD23 LEU 55 14.558 -17.013 -17.013 428 2HD2 LEU 55 HD22 LEU 55 14.231 -16.422 -16.422 429 3HD2 LEU 55 HD21 LEU 55 15.565 -15.745 -15.745 430 H LEU 56 HN LEU 56 11.408 -18.686 -18.686 431 HA LEU 56 HA LEU 56 13.588 -20.127 -20.127 432 1HB LEU 56 HB2 LEU 56 12.807 -22.084 -22.084 433 2HB LEU 56 HB1 LEU 56 12.554 -20.683 -20.683 434 HG LEU 56 HG LEU 56 10.163 -20.758 -20.758 435 1HD1 LEU 56 HD12 LEU 56 10.917 -22.896 -22.896 436 2HD1 LEU 56 HD11 LEU 56 10.974 -23.642 -23.642 437 3HD1 LEU 56 HD13 LEU 56 9.438 -23.069 -23.069 438 1HD2 LEU 56 HD21 LEU 56 10.703 -20.689 -20.689 439 2HD2 LEU 56 HD23 LEU 56 9.265 -21.614 -21.614 440 3HD2 LEU 56 HD22 LEU 56 10.771 -22.451 -22.451 441 H LYS 57 HN LYS 57 10.184 -19.994 -19.994 442 HA LYS 57 HA LYS 57 10.436 -22.078 -22.078 443 1HB LYS 57 HB2 LYS 57 8.381 -20.023 -20.023 444 2HB LYS 57 HB1 LYS 57 8.333 -20.676 -20.676 445 1HG LYS 57 HG2 LYS 57 8.319 -22.973 -22.973 446 2HG LYS 57 HG1 LYS 57 8.290 -22.298 -22.298 447 1HD LYS 57 HD2 LYS 57 6.130 -21.316 -21.316 448 2HD LYS 57 HD1 LYS 57 6.194 -21.658 -21.658 449 1HE LYS 57 HE2 LYS 57 6.268 -24.102 -24.102 450 2HE LYS 57 HE1 LYS 57 6.063 -23.701 -23.701 451 1HZ LYS 57 HZ3 LYS 57 4.119 -22.386 -22.386 452 2HZ LYS 57 HZ2 LYS 57 4.073 -24.063 -24.063 453 3HZ LYS 57 HZ1 LYS 57 3.894 -23.443 -23.443 454 H GLY 58 HN GLY 58 9.203 -19.182 -19.182 455 1HA GLY 58 HA2 GLY 58 11.334 -19.104 -19.104 456 2HA GLY 58 HA1 GLY 58 10.024 -17.923 -17.923 457 H ALA 59 HN ALA 59 11.194 -15.951 -15.951 458 HA ALA 59 HA ALA 59 12.349 -15.310 -15.310 459 1HB ALA 59 HB3 ALA 59 14.151 -16.863 -16.863 460 2HB ALA 59 HB2 ALA 59 14.544 -15.425 -15.425 461 3HB ALA 59 HB1 ALA 59 14.656 -15.384 -15.384 462 H ASP 60 HN ASP 60 11.100 -13.457 -13.457 463 HA ASP 60 HA ASP 60 11.557 -11.628 -11.628 464 1HB ASP 60 HB2 ASP 60 9.390 -11.857 -11.857 465 2HB ASP 60 HB1 ASP 60 10.241 -11.005 -11.005 466 H ILE 61 HN ILE 61 13.368 -12.679 -12.679 467 HA ILE 61 HA ILE 61 14.407 -10.547 -10.547 468 HB ILE 61 HB ILE 61 14.888 -12.995 -12.995 469 1HG1 ILE 61 HG12 ILE 61 17.206 -11.058 -11.058 470 2HG1 ILE 61 HG11 ILE 61 16.286 -11.483 -11.483 471 1HG2 ILE 61 HG22 ILE 61 15.319 -13.270 -13.270 472 2HG2 ILE 61 HG21 ILE 61 16.900 -12.543 -12.543 473 3HG2 ILE 61 HG23 ILE 61 16.479 -14.069 -14.069 474 1HD1 ILE 61 HD13 ILE 61 17.124 -13.956 -13.956 475 2HD1 ILE 61 HD12 ILE 61 18.472 -12.957 -12.957 476 3HD1 ILE 61 HD11 ILE 61 18.001 -12.950 -12.950 477 H ASN 62 HN ASN 62 15.002 -11.431 -11.431 478 HA ASN 62 HA ASN 62 16.766 -9.045 -9.045 479 1HB ASN 62 HB2 ASN 62 18.176 -10.315 -10.315 480 2HB ASN 62 HB1 ASN 62 18.180 -11.068 -11.068 481 1HD2 ASN 62 HD21 ASN 62 15.580 -12.317 -12.317 482 2HD2 ASN 62 HD22 ASN 62 15.657 -13.548 -13.548 483 H ALA 63 HN ALA 63 14.651 -11.335 -11.335 484 HA ALA 63 HA ALA 63 14.279 -10.728 -10.728 485 1HB ALA 63 HB1 ALA 63 12.641 -11.770 -11.770 486 2HB ALA 63 HB3 ALA 63 11.793 -10.244 -10.244 487 3HB ALA 63 HB2 ALA 63 12.091 -11.320 -11.320 488 HA PRO 64 HA PRO 64 11.833 -6.375 -6.375 489 1HB PRO 64 HB2 PRO 64 14.508 -5.750 -5.750 490 2HB PRO 64 HB1 PRO 64 12.901 -5.152 -5.152 491 1HG PRO 64 HG2 PRO 64 14.261 -7.337 -7.337 492 2HG PRO 64 HG1 PRO 64 12.554 -6.932 -6.932 493 1HD PRO 64 HD2 PRO 64 13.526 -9.273 -9.273 494 2HD PRO 64 HD1 PRO 64 11.867 -8.643 -8.643 495 H ASP 65 HN ASP 65 11.808 -5.150 -5.150 496 HA ASP 65 HA ASP 65 14.276 -4.681 -4.681 497 1HB ASP 65 HB2 ASP 65 11.514 -5.536 -5.536 498 2HB ASP 65 HB1 ASP 65 12.634 -4.753 -4.753 499 H LYS 66 HN LYS 66 10.865 -3.632 -3.632 500 HA LYS 66 HA LYS 66 11.504 -0.924 -0.924 501 1HB LYS 66 HB2 LYS 66 9.327 -2.244 -2.244 502 2HB LYS 66 HB1 LYS 66 8.923 -1.845 -1.845 503 1HG LYS 66 HG2 LYS 66 8.008 -0.039 -0.039 504 2HG LYS 66 HG1 LYS 66 9.613 0.595 0.595 505 1HD LYS 66 HD2 LYS 66 10.338 -0.024 -0.024 506 2HD LYS 66 HD1 LYS 66 8.765 -0.751 -0.751 507 1HE LYS 66 HE2 LYS 66 9.130 2.158 2.158 508 2HE LYS 66 HE1 LYS 66 9.049 1.587 1.587 509 1HZ LYS 66 HZ3 LYS 66 6.941 0.696 0.696 510 2HZ LYS 66 HZ2 LYS 66 6.915 2.334 2.334 511 3HZ LYS 66 HZ1 LYS 66 6.858 1.122 1.122 512 H HIS 67 HN HIS 67 11.296 -2.684 -2.684 513 HA HIS 67 HA HIS 67 10.897 -0.377 -0.377 514 1HB HIS 67 HB2 HIS 67 11.980 -3.085 -3.085 515 2HB HIS 67 HB1 HIS 67 11.036 -1.964 -1.964 516 HD1 HIS 67 HD1 HIS 67 8.486 -1.984 -1.984 517 HD2 HIS 67 HD2 HIS 67 10.437 -4.525 -4.525 518 HE1 HIS 67 HE1 HIS 67 6.686 -3.387 -3.387 519 H HIS 68 HN HIS 68 13.404 -1.441 -1.441 520 HA HIS 68 HA HIS 68 15.753 -1.246 -1.246 521 1HB HIS 68 HB2 HIS 68 14.766 1.361 1.361 522 2HB HIS 68 HB1 HIS 68 16.414 1.079 1.079 523 HD1 HIS 68 HD1 HIS 68 14.492 -0.822 -0.822 524 HD2 HIS 68 HD2 HIS 68 15.119 3.277 3.277 525 HE1 HIS 68 HE1 HIS 68 13.883 0.222 0.222 526 H ILE 69 HN ILE 69 14.355 -2.386 -2.386 527 HA ILE 69 HA ILE 69 16.780 -2.236 -2.236 528 HB ILE 69 HB ILE 69 14.710 -0.421 -0.421 529 1HG1 ILE 69 HG12 ILE 69 17.107 -0.174 -0.174 530 2HG1 ILE 69 HG11 ILE 69 16.104 0.111 0.111 531 1HG2 ILE 69 HG22 ILE 69 13.437 -2.294 -2.294 532 2HG2 ILE 69 HG21 ILE 69 14.798 -2.633 -2.633 533 3HG2 ILE 69 HG23 ILE 69 13.919 -1.114 -1.114 534 1HD1 ILE 69 HD12 ILE 69 16.499 -2.482 -2.482 535 2HD1 ILE 69 HD11 ILE 69 17.923 -2.202 -2.202 536 3HD1 ILE 69 HD13 ILE 69 17.706 -1.299 -1.299 537 H THR 70 HN THR 70 16.893 -3.754 -3.754 538 HA THR 70 HA THR 70 15.000 -6.015 -6.015 539 HB THR 70 HB THR 70 17.098 -6.872 -6.872 540 HG1 THR 70 HG1 THR 70 16.731 -8.203 -8.203 541 1HG2 THR 70 HG22 THR 70 18.164 -4.822 -4.822 542 2HG2 THR 70 HG21 THR 70 19.185 -6.084 -6.084 543 3HG2 THR 70 HG23 THR 70 18.404 -4.908 -4.908 544 HA PRO 71 HA PRO 71 13.533 -5.170 -5.170 545 1HB PRO 71 HB2 PRO 71 13.582 -7.989 -7.989 546 2HB PRO 71 HB1 PRO 71 12.184 -6.956 -6.956 547 1HG PRO 71 HG2 PRO 71 12.988 -9.014 -9.014 548 2HG PRO 71 HG1 PRO 71 12.128 -7.580 -7.580 549 1HD PRO 71 HD2 PRO 71 15.045 -8.243 -8.243 550 2HD PRO 71 HD1 PRO 71 14.005 -7.349 -7.349 551 H LEU 72 HN LEU 72 16.673 -6.831 -6.831 552 HA LEU 72 HA LEU 72 16.953 -7.059 -7.059 553 1HB LEU 72 HB2 LEU 72 19.418 -6.075 -6.075 554 2HB LEU 72 HB1 LEU 72 19.171 -7.489 -7.489 555 HG LEU 72 HG LEU 72 19.680 -8.471 -8.471 556 1HD1 LEU 72 HD11 LEU 72 17.001 -8.662 -8.662 557 2HD1 LEU 72 HD13 LEU 72 16.931 -8.394 -8.394 558 3HD1 LEU 72 HD12 LEU 72 17.863 -9.737 -9.737 559 1HD2 LEU 72 HD22 LEU 72 19.840 -6.364 -6.364 560 2HD2 LEU 72 HD21 LEU 72 18.992 -7.595 -7.595 561 3HD2 LEU 72 HD23 LEU 72 18.086 -6.305 -6.305 562 H LEU 73 HN LEU 73 17.364 -4.261 -4.261 563 HA LEU 73 HA LEU 73 18.269 -2.537 -2.537 564 1HB LEU 73 HB2 LEU 73 16.991 -1.774 -1.774 565 2HB LEU 73 HB1 LEU 73 17.837 -0.685 -0.685 566 HG LEU 73 HG LEU 73 19.806 -2.426 -2.426 567 1HD1 LEU 73 HD12 LEU 73 17.865 -3.365 -3.365 568 2HD1 LEU 73 HD11 LEU 73 19.373 -2.906 -2.906 569 3HD1 LEU 73 HD13 LEU 73 19.388 -4.107 -4.107 570 1HD2 LEU 73 HD23 LEU 73 18.942 -0.255 -0.255 571 2HD2 LEU 73 HD22 LEU 73 20.313 -0.301 -0.301 572 3HD2 LEU 73 HD21 LEU 73 20.374 -1.208 -1.208 573 H SER 74 HN SER 74 15.167 -3.618 -3.618 574 HA SER 74 HA SER 74 13.515 -1.615 -1.615 575 1HB SER 74 HB2 SER 74 12.728 -3.507 -3.507 576 2HB SER 74 HB1 SER 74 12.964 -4.589 -4.589 577 HG SER 74 HG SER 74 10.863 -3.955 -3.955 578 H ALA 75 HN ALA 75 14.823 -4.573 -4.573 579 HA ALA 75 HA ALA 75 13.720 -3.971 -3.971 580 1HB ALA 75 HB2 ALA 75 15.832 -5.888 -5.888 581 2HB ALA 75 HB1 ALA 75 15.470 -5.713 -5.713 582 3HB ALA 75 HB3 ALA 75 14.216 -6.253 -6.253 583 H VAL 76 HN VAL 76 16.769 -3.274 -3.274 584 HA VAL 76 HA VAL 76 18.440 -2.549 -2.549 585 HB VAL 76 HB VAL 76 17.970 -1.266 -1.266 586 1HG1 VAL 76 HG12 VAL 76 19.778 -0.393 -0.393 587 2HG1 VAL 76 HG11 VAL 76 20.291 -0.178 -0.178 588 3HG1 VAL 76 HG13 VAL 76 18.811 0.593 0.593 589 1HG2 VAL 76 HG21 VAL 76 19.000 -3.516 -3.516 590 2HG2 VAL 76 HG23 VAL 76 20.170 -2.318 -2.318 591 3HG2 VAL 76 HG22 VAL 76 20.234 -2.902 -2.902 592 H TYR 77 HN TYR 77 16.432 -0.048 -0.048 593 HA TYR 77 HA TYR 77 16.639 1.720 1.720 594 1HB TYR 77 HB2 TYR 77 14.341 2.107 2.107 595 2HB TYR 77 HB1 TYR 77 15.583 3.250 3.250 596 HD1 TYR 77 HD1 TYR 77 14.734 0.548 0.548 597 HD2 TYR 77 HD2 TYR 77 17.645 3.504 3.504 598 HE1 TYR 77 HE1 TYR 77 15.864 0.282 0.282 599 HE2 TYR 77 HE2 TYR 77 18.761 3.227 3.227 600 HH TYR 77 HH TYR 77 18.893 1.969 1.969 601 H GLU 78 HN GLU 78 15.726 -0.816 -0.816 602 HA GLU 78 HA GLU 78 12.961 -0.119 -0.119 603 1HB GLU 78 HB2 GLU 78 13.217 -2.114 -2.114 604 2HB GLU 78 HB1 GLU 78 13.883 -2.978 -2.978 605 1HG GLU 78 HG2 GLU 78 11.541 -3.441 -3.441 606 2HG GLU 78 HG1 GLU 78 11.803 -2.247 -2.247 607 H GLY 79 HN GLY 79 16.102 -1.517 -1.517 608 1HA GLY 79 HA2 GLY 79 17.087 -1.508 -1.508 609 2HA GLY 79 HA1 GLY 79 15.491 -1.148 -1.148 610 H HIS 80 HN HIS 80 14.816 -3.412 -3.412 611 HA HIS 80 HA HIS 80 14.621 -5.540 -5.540 612 1HB HIS 80 HB2 HIS 80 13.772 -5.100 -5.100 613 2HB HIS 80 HB1 HIS 80 13.984 -6.779 -6.779 614 HD1 HIS 80 HD1 HIS 80 11.633 -7.601 -7.601 615 HD2 HIS 80 HD2 HIS 80 12.320 -3.821 -3.821 616 HE1 HIS 80 HE1 HIS 80 9.581 -7.025 -7.025 617 H VAL 81 HN VAL 81 16.154 -5.274 -5.274 618 HA VAL 81 HA VAL 81 17.882 -6.605 -6.605 619 HB VAL 81 HB VAL 81 20.015 -6.045 -6.045 620 1HG1 VAL 81 HG13 VAL 81 18.445 -4.714 -4.714 621 2HG1 VAL 81 HG12 VAL 81 19.038 -3.484 -3.484 622 3HG1 VAL 81 HG11 VAL 81 20.174 -4.555 -4.555 623 1HG2 VAL 81 HG21 VAL 81 18.629 -5.427 -5.427 624 2HG2 VAL 81 HG23 VAL 81 19.643 -4.099 -4.099 625 3HG2 VAL 81 HG22 VAL 81 17.920 -4.112 -4.112 626 H SER 82 HN SER 82 16.235 -7.919 -7.919 627 HA SER 82 HA SER 82 18.160 -9.904 -9.904 628 1HB SER 82 HB2 SER 82 15.222 -9.360 -9.360 629 2HB SER 82 HB1 SER 82 15.764 -11.022 -11.022 630 HG SER 82 HG SER 82 16.904 -10.448 -10.448 631 H CYS 83 HN CYS 83 16.167 -9.148 -9.148 632 HA CYS 83 HA CYS 83 15.942 -11.830 -11.830 633 1HB CYS 83 HB2 CYS 83 15.175 -10.238 -10.238 634 2HB CYS 83 HB1 CYS 83 14.116 -10.539 -10.539 635 HG CYS 83 HG CYS 83 14.259 -7.949 -7.949 636 H VAL 84 HN VAL 84 17.471 -8.740 -8.740 637 HA VAL 84 HA VAL 84 18.951 -9.444 -9.444 638 HB VAL 84 HB VAL 84 20.744 -7.951 -7.951 639 1HG1 VAL 84 HG13 VAL 84 17.920 -7.093 -7.093 640 2HG1 VAL 84 HG12 VAL 84 19.283 -5.976 -5.976 641 3HG1 VAL 84 HG11 VAL 84 18.797 -6.818 -6.818 642 1HG2 VAL 84 HG23 VAL 84 19.410 -8.431 -8.431 643 2HG2 VAL 84 HG22 VAL 84 21.127 -8.513 -8.513 644 3HG2 VAL 84 HG21 VAL 84 20.320 -6.946 -6.946 645 H LYS 85 HN LYS 85 19.704 -10.315 -10.315 646 HA LYS 85 HA LYS 85 22.193 -11.534 -11.534 647 1HB LYS 85 HB2 LYS 85 20.249 -11.362 -11.362 648 2HB LYS 85 HB1 LYS 85 20.777 -13.035 -13.035 649 1HG LYS 85 HG2 LYS 85 22.323 -12.009 -12.009 650 2HG LYS 85 HG1 LYS 85 23.178 -12.117 -12.117 651 1HD LYS 85 HD2 LYS 85 22.537 -9.765 -9.765 652 2HD LYS 85 HD1 LYS 85 21.748 -9.663 -9.663 653 1HE LYS 85 HE2 LYS 85 24.657 -10.437 -10.437 654 2HE LYS 85 HE1 LYS 85 24.148 -8.754 -8.754 655 1HZ LYS 85 HZ2 LYS 85 22.783 -10.016 -10.016 656 2HZ LYS 85 HZ1 LYS 85 24.301 -10.778 -10.778 657 3HZ LYS 85 HZ3 LYS 85 24.196 -9.094 -9.094 658 H LEU 86 HN LEU 86 19.334 -13.624 -13.624 659 HA LEU 86 HA LEU 86 20.508 -15.818 -15.818 660 1HB LEU 86 HB2 LEU 86 18.302 -16.922 -16.922 661 2HB LEU 86 HB1 LEU 86 18.801 -16.299 -16.299 662 HG LEU 86 HG LEU 86 16.398 -15.923 -15.923 663 1HD1 LEU 86 HD13 LEU 86 17.906 -14.356 -14.356 664 2HD1 LEU 86 HD12 LEU 86 17.679 -13.221 -13.221 665 3HD1 LEU 86 HD11 LEU 86 16.283 -13.827 -13.827 666 1HD2 LEU 86 HD23 LEU 86 16.859 -15.477 -15.477 667 2HD2 LEU 86 HD22 LEU 86 15.643 -14.484 -14.484 668 3HD2 LEU 86 HD21 LEU 86 17.253 -13.829 -13.829 669 H LEU 87 HN LEU 87 19.535 -12.998 -12.998 670 HA LEU 87 HA LEU 87 18.091 -13.982 -13.982 671 1HB LEU 87 HB2 LEU 87 18.670 -11.484 -11.484 672 2HB LEU 87 HB1 LEU 87 19.448 -11.456 -11.456 673 HG LEU 87 HG LEU 87 16.574 -12.300 -12.300 674 1HD1 LEU 87 HD11 LEU 87 17.769 -9.625 -9.625 675 2HD1 LEU 87 HD13 LEU 87 16.080 -10.040 -10.040 676 3HD1 LEU 87 HD12 LEU 87 16.701 -9.986 -9.986 677 1HD2 LEU 87 HD21 LEU 87 18.205 -11.619 -11.619 678 2HD2 LEU 87 HD23 LEU 87 17.549 -13.202 -13.202 679 3HD2 LEU 87 HD22 LEU 87 16.462 -11.881 -11.881 680 H LEU 88 HN LEU 88 21.384 -12.436 -12.436 681 HA LEU 88 HA LEU 88 22.038 -13.356 -13.356 682 1HB LEU 88 HB2 LEU 88 24.327 -12.894 -12.894 683 2HB LEU 88 HB1 LEU 88 23.416 -11.661 -11.661 684 HG LEU 88 HG LEU 88 25.148 -12.348 -12.348 685 1HD1 LEU 88 HD12 LEU 88 22.788 -12.251 -12.251 686 2HD1 LEU 88 HD11 LEU 88 22.803 -14.014 -14.014 687 3HD1 LEU 88 HD13 LEU 88 23.968 -13.153 -13.153 688 1HD2 LEU 88 HD22 LEU 88 25.181 -14.704 -14.704 689 2HD2 LEU 88 HD21 LEU 88 26.053 -14.423 -14.423 690 3HD2 LEU 88 HD23 LEU 88 24.485 -15.226 -15.226 691 H SER 89 HN SER 89 21.542 -15.134 -15.134 692 HA SER 89 HA SER 89 23.301 -17.344 -17.344 693 1HB SER 89 HB2 SER 89 21.537 -16.861 -16.861 694 2HB SER 89 HB1 SER 89 20.435 -17.734 -17.734 695 HG SER 89 HG SER 89 22.744 -18.613 -18.613 696 H LYS 90 HN LYS 90 20.628 -16.098 -16.098 697 HA LYS 90 HA LYS 90 20.337 -18.564 -18.564 698 1HB LYS 90 HB2 LYS 90 18.659 -16.063 -16.063 699 2HB LYS 90 HB1 LYS 90 18.357 -17.245 -17.245 700 1HG LYS 90 HG2 LYS 90 17.061 -18.305 -18.305 701 2HG LYS 90 HG1 LYS 90 18.568 -18.846 -18.846 702 1HD LYS 90 HD2 LYS 90 17.429 -17.877 -17.877 703 2HD LYS 90 HD1 LYS 90 18.493 -16.575 -16.575 704 1HE LYS 90 HE2 LYS 90 16.664 -15.549 -15.549 705 2HE LYS 90 HE1 LYS 90 15.599 -16.896 -16.896 706 1HZ LYS 90 HZ1 LYS 90 16.901 -15.318 -15.318 707 2HZ LYS 90 HZ3 LYS 90 15.469 -14.769 -14.769 708 3HZ LYS 90 HZ2 LYS 90 15.492 -16.264 -16.264 709 H GLY 91 HN GLY 91 21.775 -15.476 -15.476 710 1HA GLY 91 HA2 GLY 91 23.450 -15.275 -15.275 711 2HA GLY 91 HA1 GLY 91 22.007 -15.414 -15.414 712 H ALA 92 HN ALA 92 20.812 -13.593 -13.593 713 HA ALA 92 HA ALA 92 20.325 -11.301 -11.301 714 1HB ALA 92 HB1 ALA 92 20.143 -12.222 -12.222 715 2HB ALA 92 HB3 ALA 92 20.633 -10.526 -10.526 716 3HB ALA 92 HB2 ALA 92 19.150 -11.029 -11.029 717 H ASP 93 HN ASP 93 23.451 -12.174 -12.174 718 HA ASP 93 HA ASP 93 25.390 -10.853 -10.853 719 1HB ASP 93 HB2 ASP 93 24.598 -10.571 -10.571 720 2HB ASP 93 HB1 ASP 93 24.286 -8.915 -8.915 721 H LYS 94 HN LYS 94 24.517 -7.732 -7.732 722 HA LYS 94 HA LYS 94 22.982 -7.050 -7.050 723 1HB LYS 94 HB2 LYS 94 24.628 -5.789 -5.789 724 2HB LYS 94 HB1 LYS 94 25.266 -7.408 -7.408 725 1HG LYS 94 HG2 LYS 94 25.919 -5.153 -5.153 726 2HG LYS 94 HG1 LYS 94 26.857 -5.428 -5.428 727 1HD LYS 94 HD2 LYS 94 28.005 -7.091 -7.091 728 2HD LYS 94 HD1 LYS 94 26.505 -7.952 -7.952 729 1HE LYS 94 HE2 LYS 94 26.263 -6.975 -6.975 730 2HE LYS 94 HE1 LYS 94 27.322 -5.621 -5.621 731 1HZ LYS 94 HZ2 LYS 94 28.908 -7.790 -7.790 732 2HZ LYS 94 HZ1 LYS 94 27.975 -8.215 -8.215 733 3HZ LYS 94 HZ3 LYS 94 28.882 -6.783 -6.783 734 H THR 95 HN THR 95 24.874 -6.041 -6.041 735 HA THR 95 HA THR 95 23.086 -3.654 -3.654 736 HB THR 95 HB THR 95 25.926 -3.708 -3.708 737 HG1 THR 95 HG1 THR 95 26.618 -3.509 -3.509 738 1HG2 THR 95 HG21 THR 95 24.049 -1.994 -1.994 739 2HG2 THR 95 HG23 THR 95 24.379 -1.318 -1.318 740 3HG2 THR 95 HG22 THR 95 25.664 -1.401 -1.401 741 H VAL 96 HN VAL 96 22.539 -6.191 -6.191 742 HA VAL 96 HA VAL 96 23.556 -6.423 -6.423 743 HB VAL 96 HB VAL 96 21.801 -7.939 -7.939 744 1HG1 VAL 96 HG11 VAL 96 21.368 -8.065 -8.065 745 2HG1 VAL 96 HG13 VAL 96 20.761 -9.248 -9.248 746 3HG1 VAL 96 HG12 VAL 96 20.172 -7.587 -7.587 747 1HG2 VAL 96 HG23 VAL 96 24.240 -8.374 -8.374 748 2HG2 VAL 96 HG22 VAL 96 23.134 -9.738 -9.738 749 3HG2 VAL 96 HG21 VAL 96 23.441 -9.023 -9.023 750 H LYS 97 HN LYS 97 21.301 -4.294 -4.294 751 HA LYS 97 HA LYS 97 20.407 -3.625 -3.625 752 1HB LYS 97 HB2 LYS 97 18.854 -5.490 -5.490 753 2HB LYS 97 HB1 LYS 97 18.004 -3.978 -3.978 754 1HG LYS 97 HG2 LYS 97 17.105 -4.740 -4.740 755 2HG LYS 97 HG1 LYS 97 18.276 -3.506 -3.506 756 1HD LYS 97 HD2 LYS 97 19.873 -5.114 -5.114 757 2HD LYS 97 HD1 LYS 97 19.051 -6.424 -6.424 758 1HE LYS 97 HE2 LYS 97 17.309 -6.518 -6.518 759 2HE LYS 97 HE1 LYS 97 17.678 -4.917 -4.917 760 1HZ LYS 97 HZ1 LYS 97 19.953 -6.544 -6.544 761 2HZ LYS 97 HZ3 LYS 97 18.624 -7.382 -7.382 762 3HZ LYS 97 HZ2 LYS 97 19.013 -5.836 -5.836 763 H GLY 98 HN GLY 98 21.209 -2.591 -2.591 764 1HA GLY 98 HA2 GLY 98 19.344 -0.377 -0.377 765 2HA GLY 98 HA1 GLY 98 20.900 -0.540 -0.540 766 HA PRO 99 HA PRO 99 21.000 2.792 2.792 767 1HB PRO 99 HB2 PRO 99 22.437 4.378 4.378 768 2HB PRO 99 HB1 PRO 99 20.882 4.739 4.739 769 1HG PRO 99 HG2 PRO 99 21.388 3.802 3.802 770 2HG PRO 99 HG1 PRO 99 19.847 4.298 4.298 771 1HD PRO 99 HD2 PRO 99 20.604 1.652 1.652 772 2HD PRO 99 HD1 PRO 99 19.201 2.112 2.112 773 H ASP 100 HN ASP 100 23.552 3.032 3.032 774 HA ASP 100 HA ASP 100 25.356 1.483 1.483 775 1HB ASP 100 HB2 ASP 100 25.568 4.022 4.022 776 2HB ASP 100 HB1 ASP 100 26.213 4.086 4.086 777 H GLY 101 HN GLY 101 27.435 2.680 2.680 778 1HA GLY 101 HA2 GLY 101 27.559 0.434 0.434 779 2HA GLY 101 HA1 GLY 101 28.447 1.940 1.940 780 H LEU 102 HN LEU 102 25.209 2.728 2.728 781 HA LEU 102 HA LEU 102 24.896 3.697 3.697 782 1HB LEU 102 HB2 LEU 102 23.276 4.132 4.132 783 2HB LEU 102 HB1 LEU 102 22.617 2.522 2.522 784 HG LEU 102 HG LEU 102 22.858 4.572 4.572 785 1HD1 LEU 102 HD11 LEU 102 21.387 5.361 5.361 786 2HD1 LEU 102 HD13 LEU 102 20.368 3.960 3.960 787 3HD1 LEU 102 HD12 LEU 102 20.577 5.208 5.208 788 1HD2 LEU 102 HD21 LEU 102 21.705 1.848 1.848 789 2HD2 LEU 102 HD23 LEU 102 22.397 2.635 2.635 790 3HD2 LEU 102 HD22 LEU 102 20.747 3.000 3.000 791 H THR 103 HN THR 103 23.300 0.714 0.714 792 HA THR 103 HA THR 103 22.308 -0.848 -0.848 793 HB THR 103 HB THR 103 24.037 -2.206 -2.206 794 HG1 THR 103 HG1 THR 103 23.958 -3.150 -3.150 795 1HG2 THR 103 HG21 THR 103 25.917 -0.191 -0.191 796 2HG2 THR 103 HG23 THR 103 26.446 -1.714 -1.714 797 3HG2 THR 103 HG22 THR 103 25.682 -0.488 -0.488 798 H ALA 104 HN ALA 104 25.039 -0.728 -0.728 799 HA ALA 104 HA ALA 104 23.350 0.227 0.227 800 1HB ALA 104 HB1 ALA 104 26.134 -0.990 -0.990 801 2HB ALA 104 HB3 ALA 104 25.239 -0.553 -0.553 802 3HB ALA 104 HB2 ALA 104 24.633 -1.830 -1.830 803 H LEU 105 HN LEU 105 25.913 1.345 1.345 804 HA LEU 105 HA LEU 105 27.328 3.141 3.141 805 1HB LEU 105 HB2 LEU 105 26.504 3.185 3.185 806 2HB LEU 105 HB1 LEU 105 27.417 4.521 4.521 807 HG LEU 105 HG LEU 105 28.690 2.541 2.541 808 1HD1 LEU 105 HD11 LEU 105 29.438 3.693 3.693 809 2HD1 LEU 105 HD13 LEU 105 30.564 2.826 2.826 810 3HD1 LEU 105 HD12 LEU 105 29.846 4.343 4.343 811 1HD2 LEU 105 HD23 LEU 105 27.488 0.812 0.812 812 2HD2 LEU 105 HD22 LEU 105 29.241 0.677 0.677 813 3HD2 LEU 105 HD21 LEU 105 28.425 1.392 1.392 814 H GLU 106 HN GLU 106 24.943 4.529 4.529 815 HA GLU 106 HA GLU 106 24.543 6.751 6.751 816 1HB GLU 106 HB2 GLU 106 22.842 6.427 6.427 817 2HB GLU 106 HB1 GLU 106 23.605 7.871 7.871 818 1HG GLU 106 HG2 GLU 106 25.804 6.334 6.334 819 2HG GLU 106 HG1 GLU 106 24.667 5.908 5.908 820 H ALA 107 HN ALA 107 23.244 3.724 3.724 821 HA ALA 107 HA ALA 107 20.440 4.455 4.455 822 1HB ALA 107 HB2 ALA 107 21.963 1.905 1.905 823 2HB ALA 107 HB1 ALA 107 20.238 2.066 2.066 824 3HB ALA 107 HB3 ALA 107 20.838 2.227 2.227 825 H THR 108 HN THR 108 23.122 3.720 3.720 826 HA THR 108 HA THR 108 21.508 4.946 4.946 827 HB THR 108 HB THR 108 20.816 2.579 2.579 828 HG1 THR 108 HG1 THR 108 21.035 2.268 2.268 829 1HG2 THR 108 HG21 THR 108 23.324 2.092 2.092 830 2HG2 THR 108 HG23 THR 108 23.533 1.693 1.693 831 3HG2 THR 108 HG22 THR 108 22.322 0.845 0.845 832 H ASP 109 HN ASP 109 22.864 3.963 3.963 833 HA ASP 109 HA ASP 109 25.744 4.334 4.334 834 1HB ASP 109 HB2 ASP 109 24.914 6.640 6.640 835 2HB ASP 109 HB1 ASP 109 24.117 6.084 6.084 836 H ASN 110 HN ASN 110 23.135 2.751 2.751 837 HA ASN 110 HA ASN 110 24.232 2.042 2.042 838 1HB ASN 110 HB2 ASN 110 22.412 0.204 0.204 839 2HB ASN 110 HB1 ASN 110 21.854 1.876 1.876 840 1HD2 ASN 110 HD21 ASN 110 23.443 0.875 0.875 841 2HD2 ASN 110 HD22 ASN 110 22.055 0.715 0.715 842 H GLN 111 HN GLN 111 25.334 0.058 0.058 843 HA GLN 111 HA GLN 111 26.783 -0.915 -0.915 844 1HB GLN 111 HB2 GLN 111 28.115 -0.369 -0.369 845 2HB GLN 111 HB1 GLN 111 27.120 -1.325 -1.325 846 1HG GLN 111 HG2 GLN 111 27.984 -3.354 -3.354 847 2HG GLN 111 HG1 GLN 111 28.502 -2.648 -2.648 848 1HE2 GLN 111 HE21 GLN 111 29.104 -0.954 -0.954 849 2HE2 GLN 111 HE22 GLN 111 30.784 -1.196 -1.196 850 H ALA 112 HN ALA 112 23.859 -1.898 -1.898 851 HA ALA 112 HA ALA 112 24.395 -4.796 -4.796 852 1HB ALA 112 HB2 ALA 112 21.832 -3.183 -3.183 853 2HB ALA 112 HB1 ALA 112 21.863 -4.946 -4.946 854 3HB ALA 112 HB3 ALA 112 22.510 -4.072 -4.072 855 H ILE 113 HN ILE 113 23.151 -2.336 -2.336 856 HA ILE 113 HA ILE 113 22.473 -3.990 -3.990 857 HB ILE 113 HB ILE 113 23.166 -1.048 -1.048 858 1HG1 ILE 113 HG12 ILE 113 20.811 -0.637 -0.637 859 2HG1 ILE 113 HG11 ILE 113 20.468 -2.338 -2.338 860 1HG2 ILE 113 HG23 ILE 113 22.281 -2.729 -2.729 861 2HG2 ILE 113 HG22 ILE 113 21.947 -0.993 -0.993 862 3HG2 ILE 113 HG21 ILE 113 23.609 -1.579 -1.579 863 1HD1 ILE 113 HD13 ILE 113 21.814 -1.393 -1.393 864 2HD1 ILE 113 HD12 ILE 113 20.061 -1.463 -1.463 865 3HD1 ILE 113 HD11 ILE 113 21.019 -2.938 -2.938 866 H LYS 114 HN LYS 114 25.075 -1.760 -1.760 867 HA LYS 114 HA LYS 114 26.711 -2.128 -2.128 868 1HB LYS 114 HB2 LYS 114 27.712 -1.832 -1.832 869 2HB LYS 114 HB1 LYS 114 28.537 -1.315 -1.315 870 1HG LYS 114 HG2 LYS 114 25.778 -0.242 -0.242 871 2HG LYS 114 HG1 LYS 114 27.114 0.423 0.423 872 1HD LYS 114 HD2 LYS 114 28.316 0.769 0.769 873 2HD LYS 114 HD1 LYS 114 26.770 0.412 0.412 874 1HE LYS 114 HE2 LYS 114 25.706 2.270 2.270 875 2HE LYS 114 HE1 LYS 114 27.163 2.569 2.569 876 1HZ LYS 114 HZ2 LYS 114 27.443 2.562 2.562 877 2HZ LYS 114 HZ1 LYS 114 26.629 3.883 3.883 878 3HZ LYS 114 HZ3 LYS 114 28.217 3.525 3.525 879 H ALA 115 HN ALA 115 25.738 -4.390 -4.390 880 HA ALA 115 HA ALA 115 27.991 -6.148 -6.148 881 1HB ALA 115 HB3 ALA 115 25.891 -6.268 -6.268 882 2HB ALA 115 HB2 ALA 115 25.122 -7.070 -7.070 883 3HB ALA 115 HB1 ALA 115 26.537 -7.794 -7.794 884 H LEU 116 HN LEU 116 25.168 -5.752 -5.752 885 HA LEU 116 HA LEU 116 25.850 -7.981 -7.981 886 1HB LEU 116 HB2 LEU 116 23.929 -5.742 -5.742 887 2HB LEU 116 HB1 LEU 116 24.510 -6.183 -6.183 888 HG LEU 116 HG LEU 116 23.111 -7.968 -7.968 889 1HD1 LEU 116 HD13 LEU 116 22.468 -7.084 -7.084 890 2HD1 LEU 116 HD12 LEU 116 21.518 -8.237 -8.237 891 3HD1 LEU 116 HD11 LEU 116 21.644 -6.560 -6.560 892 1HD2 LEU 116 HD22 LEU 116 24.876 -8.652 -8.652 893 2HD2 LEU 116 HD21 LEU 116 24.472 -9.601 -9.601 894 3HD2 LEU 116 HD23 LEU 116 23.341 -9.521 -9.521 895 H LEU 117 HN LEU 117 26.941 -4.727 -4.727 896 HA LEU 117 HA LEU 117 28.213 -4.602 -4.602 897 1HB LEU 117 HB2 LEU 117 27.531 -2.667 -2.667 898 2HB LEU 117 HB1 LEU 117 29.278 -2.778 -2.778 899 HG LEU 117 HG LEU 117 28.665 -1.080 -1.080 900 1HD1 LEU 117 HD12 LEU 117 30.763 -2.539 -2.539 901 2HD1 LEU 117 HD11 LEU 117 29.885 -3.471 -3.471 902 3HD1 LEU 117 HD13 LEU 117 30.225 -1.764 -1.764 903 1HD2 LEU 117 HD22 LEU 117 26.679 -2.872 -2.872 904 2HD2 LEU 117 HD21 LEU 117 27.175 -1.472 -1.472 905 3HD2 LEU 117 HD23 LEU 117 27.849 -3.062 -3.062 906 H GLN 118 HN GLN 118 28.734 -6.702 -6.702 907 HA GLN 118 HA GLN 118 31.444 -6.447 -6.447 908 1HB GLN 118 HB2 GLN 118 31.284 -8.943 -8.943 909 2HB GLN 118 HB1 GLN 118 29.940 -8.071 -8.071 910 1HG GLN 118 HG2 GLN 118 28.899 -9.848 -9.848 911 2HG GLN 118 HG1 GLN 118 28.719 -8.466 -8.466 912 1HE2 GLN 118 HE21 GLN 118 31.633 -10.498 -10.498 913 2HE2 GLN 118 HE22 GLN 118 31.790 -10.996 -10.996 Start of MODEL 17 1 1H MET 1 HT2 MET 1 -10.089 -10.766 -10.766 2 2H MET 1 HT1 MET 1 -9.393 -12.201 -12.201 3 3H MET 1 HT3 MET 1 -10.836 -11.618 -11.618 4 HA MET 1 HA MET 1 -12.084 -12.596 -12.596 5 1HB MET 1 HB2 MET 1 -10.343 -14.342 -14.342 6 2HB MET 1 HB1 MET 1 -9.462 -13.814 -13.814 7 1HG MET 1 HG2 MET 1 -11.305 -14.419 -14.419 8 2HG MET 1 HG1 MET 1 -12.346 -14.737 -14.737 9 1HE MET 1 HE3 MET 1 -12.975 -16.660 -16.660 10 2HE MET 1 HE2 MET 1 -12.184 -18.233 -18.233 11 3HE MET 1 HE1 MET 1 -11.765 -17.079 -17.079 12 H CYS 2 HN CYS 2 -9.055 -11.972 -11.972 13 HA CYS 2 HA CYS 2 -10.288 -10.022 -10.022 14 1HB CYS 2 HB2 CYS 2 -10.171 -11.481 -11.481 15 2HB CYS 2 HB1 CYS 2 -11.480 -11.878 -11.878 16 HG CYS 2 HG CYS 2 -10.486 -14.142 -14.142 17 H ASP 3 HN ASP 3 -8.022 -9.484 -9.484 18 HA ASP 3 HA ASP 3 -5.571 -10.503 -10.503 19 1HB ASP 3 HB2 ASP 3 -6.367 -7.648 -7.648 20 2HB ASP 3 HB1 ASP 3 -4.694 -8.160 -8.160 21 H LYS 4 HN LYS 4 -7.799 -8.351 -8.351 22 HA LYS 4 HA LYS 4 -6.339 -7.249 -7.249 23 1HB LYS 4 HB2 LYS 4 -9.073 -8.534 -8.534 24 2HB LYS 4 HB1 LYS 4 -8.421 -7.391 -7.391 25 1HG LYS 4 HG2 LYS 4 -8.192 -5.691 -5.691 26 2HG LYS 4 HG1 LYS 4 -8.788 -6.828 -6.828 27 1HD LYS 4 HD2 LYS 4 -10.438 -6.211 -6.211 28 2HD LYS 4 HD1 LYS 4 -10.451 -5.114 -5.114 29 1HE LYS 4 HE2 LYS 4 -11.075 -7.022 -7.022 30 2HE LYS 4 HE1 LYS 4 -11.148 -8.066 -8.066 31 1HZ LYS 4 HZ1 LYS 4 -12.660 -5.830 -5.830 32 2HZ LYS 4 HZ3 LYS 4 -13.093 -6.264 -6.264 33 3HZ LYS 4 HZ2 LYS 4 -13.221 -7.401 -7.401 34 H GLU 5 HN GLU 5 -7.831 -10.517 -10.517 35 HA GLU 5 HA GLU 5 -6.685 -11.171 -11.171 36 1HB GLU 5 HB2 GLU 5 -8.670 -12.319 -12.319 37 2HB GLU 5 HB1 GLU 5 -7.709 -12.969 -12.969 38 1HG GLU 5 HG2 GLU 5 -6.322 -14.228 -14.228 39 2HG GLU 5 HG1 GLU 5 -7.159 -13.515 -13.515 40 H PHE 6 HN PHE 6 -5.665 -11.942 -11.942 41 HA PHE 6 HA PHE 6 -3.369 -13.486 -13.486 42 1HB PHE 6 HB2 PHE 6 -4.297 -13.884 -13.884 43 2HB PHE 6 HB1 PHE 6 -4.100 -12.193 -12.193 44 HD1 PHE 6 HD2 PHE 6 -1.998 -14.968 -14.968 45 HD2 PHE 6 HD1 PHE 6 -2.279 -11.713 -11.713 46 HE1 PHE 6 HE2 PHE 6 0.282 -15.484 -15.484 47 HE2 PHE 6 HE1 PHE 6 0.002 -12.224 -12.224 48 HZ PHE 6 HZ PHE 6 1.282 -14.109 -14.109 49 H MET 7 HN MET 7 -3.914 -10.082 -10.082 50 HA MET 7 HA MET 7 -1.048 -9.448 -9.448 51 1HB MET 7 HB2 MET 7 -2.338 -8.003 -8.003 52 2HB MET 7 HB1 MET 7 -3.599 -7.854 -7.854 53 1HG MET 7 HG2 MET 7 -2.281 -6.411 -6.411 54 2HG MET 7 HG1 MET 7 -0.805 -6.811 -6.811 55 1HE MET 7 HE3 MET 7 -4.463 -5.724 -5.724 56 2HE MET 7 HE2 MET 7 -4.314 -4.734 -4.734 57 3HE MET 7 HE1 MET 7 -3.972 -6.459 -6.459 58 H TRP 8 HN TRP 8 -3.792 -8.525 -8.525 59 HA TRP 8 HA TRP 8 -2.345 -7.285 -7.285 60 1HB TRP 8 HB2 TRP 8 -4.856 -7.503 -7.503 61 2HB TRP 8 HB1 TRP 8 -4.678 -9.149 -9.149 62 HD1 TRP 8 HD1 TRP 8 -4.013 -9.487 -9.487 63 HE1 TRP 8 HE1 TRP 8 -3.888 -7.891 -7.891 64 HE3 TRP 8 HE3 TRP 8 -4.296 -4.980 -4.980 65 HZ2 TRP 8 HZ2 TRP 8 -3.916 -5.073 -5.073 66 HZ3 TRP 8 HZ3 TRP 8 -4.255 -2.866 -2.866 67 HH2 TRP 8 HH2 TRP 8 -4.065 -2.906 -2.906 68 H ALA 9 HN ALA 9 -1.980 -10.489 -10.489 69 HA ALA 9 HA ALA 9 -1.199 -11.501 -11.501 70 1HB ALA 9 HB1 ALA 9 -1.085 -12.719 -12.719 71 2HB ALA 9 HB3 ALA 9 -0.627 -13.565 -13.565 72 3HB ALA 9 HB2 ALA 9 -2.292 -13.034 -13.034 73 H LEU 10 HN LEU 10 0.482 -10.770 -10.770 74 HA LEU 10 HA LEU 10 3.092 -11.488 -11.488 75 1HB LEU 10 HB2 LEU 10 2.391 -8.829 -8.829 76 2HB LEU 10 HB1 LEU 10 3.889 -9.725 -9.725 77 HG LEU 10 HG LEU 10 1.440 -11.221 -11.221 78 1HD1 LEU 10 HD12 LEU 10 1.077 -8.783 -8.783 79 2HD1 LEU 10 HD11 LEU 10 2.461 -9.061 -9.061 80 3HD1 LEU 10 HD13 LEU 10 1.010 -10.048 -10.048 81 1HD2 LEU 10 HD22 LEU 10 3.874 -11.934 -11.934 82 2HD2 LEU 10 HD21 LEU 10 2.879 -12.002 -12.002 83 3HD2 LEU 10 HD23 LEU 10 3.997 -10.661 -10.661 84 H LYS 11 HN LYS 11 1.300 -8.680 -8.680 85 HA LYS 11 HA LYS 11 3.515 -7.492 -7.492 86 1HB LYS 11 HB2 LYS 11 1.994 -6.130 -6.130 87 2HB LYS 11 HB1 LYS 11 0.627 -6.779 -6.779 88 1HG LYS 11 HG2 LYS 11 1.228 -5.675 -5.675 89 2HG LYS 11 HG1 LYS 11 2.873 -5.378 -5.378 90 1HD LYS 11 HD2 LYS 11 1.446 -3.329 -3.329 91 2HD LYS 11 HD1 LYS 11 2.080 -3.767 -3.767 92 1HE LYS 11 HE2 LYS 11 -0.352 -3.146 -3.146 93 2HE LYS 11 HE1 LYS 11 -0.040 -4.771 -4.771 94 1HZ LYS 11 HZ2 LYS 11 -0.488 -4.526 -4.526 95 2HZ LYS 11 HZ1 LYS 11 -1.839 -4.233 -4.233 96 3HZ LYS 11 HZ3 LYS 11 -1.028 -5.720 -5.720 97 H ASN 12 HN ASN 12 0.251 -8.757 -8.757 98 HA ASN 12 HA ASN 12 0.571 -8.245 -8.245 99 1HB ASN 12 HB2 ASN 12 -1.636 -8.370 -8.370 100 2HB ASN 12 HB1 ASN 12 -1.437 -10.121 -10.121 101 1HD2 ASN 12 HD21 ASN 12 -3.403 -10.261 -10.261 102 2HD2 ASN 12 HD22 ASN 12 -3.264 -9.948 -9.948 103 H GLY 13 HN GLY 13 2.450 -10.063 -10.063 104 1HA GLY 13 HA2 GLY 13 3.655 -12.002 -12.002 105 2HA GLY 13 HA1 GLY 13 3.167 -11.742 -11.742 106 H ASP 14 HN ASP 14 0.452 -12.095 -12.095 107 HA ASP 14 HA ASP 14 -0.187 -14.626 -14.626 108 1HB ASP 14 HB2 ASP 14 -1.588 -13.513 -13.513 109 2HB ASP 14 HB1 ASP 14 -2.208 -14.597 -14.597 110 H LEU 15 HN LEU 15 2.082 -15.062 -15.062 111 HA LEU 15 HA LEU 15 2.677 -15.674 -15.674 112 1HB LEU 15 HB2 LEU 15 4.279 -15.711 -15.711 113 2HB LEU 15 HB1 LEU 15 3.473 -17.108 -17.108 114 HG LEU 15 HG LEU 15 5.605 -17.534 -17.534 115 1HD1 LEU 15 HD12 LEU 15 3.305 -19.109 -19.109 116 2HD1 LEU 15 HD11 LEU 15 3.740 -19.263 -19.263 117 3HD1 LEU 15 HD13 LEU 15 4.914 -19.660 -19.660 118 1HD2 LEU 15 HD23 LEU 15 4.819 -15.926 -15.926 119 2HD2 LEU 15 HD22 LEU 15 5.581 -17.431 -17.431 120 3HD2 LEU 15 HD21 LEU 15 3.830 -17.267 -17.267 121 H ASP 16 HN ASP 16 0.633 -17.404 -17.404 122 HA ASP 16 HA ASP 16 0.550 -19.892 -19.892 123 1HB ASP 16 HB2 ASP 16 -1.307 -18.471 -18.471 124 2HB ASP 16 HB1 ASP 16 -1.725 -20.034 -20.034 125 H GLU 17 HN GLU 17 -1.119 -16.830 -16.830 126 HA GLU 17 HA GLU 17 -3.150 -17.822 -17.822 127 1HB GLU 17 HB2 GLU 17 -2.240 -15.146 -15.146 128 2HB GLU 17 HB1 GLU 17 -3.275 -15.206 -15.206 129 1HG GLU 17 HG2 GLU 17 -4.968 -16.455 -16.455 130 2HG GLU 17 HG1 GLU 17 -3.911 -16.504 -16.504 131 H VAL 18 HN VAL 18 -0.101 -15.991 -15.991 132 HA VAL 18 HA VAL 18 -0.368 -15.818 -15.818 133 HB VAL 18 HB VAL 18 2.369 -15.871 -15.871 134 1HG1 VAL 18 HG11 VAL 18 0.373 -13.628 -13.628 135 2HG1 VAL 18 HG13 VAL 18 2.095 -13.334 -13.334 136 3HG1 VAL 18 HG12 VAL 18 1.500 -13.967 -13.967 137 1HG2 VAL 18 HG23 VAL 18 1.722 -16.325 -16.325 138 2HG2 VAL 18 HG22 VAL 18 2.917 -15.074 -15.074 139 3HG2 VAL 18 HG21 VAL 18 1.254 -14.624 -14.624 140 H LYS 19 HN LYS 19 0.811 -18.180 -18.180 141 HA LYS 19 HA LYS 19 2.201 -19.902 -19.902 142 1HB LYS 19 HB2 LYS 19 2.356 -19.943 -19.943 143 2HB LYS 19 HB1 LYS 19 0.707 -20.555 -20.555 144 1HG LYS 19 HG2 LYS 19 1.292 -22.648 -22.648 145 2HG LYS 19 HG1 LYS 19 2.725 -22.040 -22.040 146 1HD LYS 19 HD2 LYS 19 2.548 -21.937 -21.937 147 2HD LYS 19 HD1 LYS 19 3.050 -23.415 -23.415 148 1HE LYS 19 HE2 LYS 19 4.408 -20.930 -20.930 149 2HE LYS 19 HE1 LYS 19 4.795 -21.456 -21.456 150 1HZ LYS 19 HZ3 LYS 19 4.876 -23.244 -23.244 151 2HZ LYS 19 HZ2 LYS 19 6.233 -22.422 -22.422 152 3HZ LYS 19 HZ1 LYS 19 5.436 -23.579 -23.579 153 H ASP 20 HN ASP 20 -1.200 -19.609 -19.609 154 HA ASP 20 HA ASP 20 -2.029 -22.117 -22.117 155 1HB ASP 20 HB2 ASP 20 -3.426 -20.743 -20.743 156 2HB ASP 20 HB1 ASP 20 -3.633 -19.564 -19.564 157 H TYR 21 HN TYR 21 -2.085 -18.811 -18.811 158 HA TYR 21 HA TYR 21 -3.056 -19.667 -19.667 159 1HB TYR 21 HB2 TYR 21 -1.453 -17.239 -17.239 160 2HB TYR 21 HB1 TYR 21 -2.059 -17.473 -17.473 161 HD1 TYR 21 HD1 TYR 21 -3.027 -17.076 -17.076 162 HD2 TYR 21 HD2 TYR 21 -4.419 -17.242 -17.242 163 HE1 TYR 21 HE1 TYR 21 -5.251 -16.284 -16.284 164 HE2 TYR 21 HE2 TYR 21 -6.657 -16.445 -16.445 165 HH TYR 21 HH TYR 21 -7.262 -14.897 -14.897 166 H VAL 22 HN VAL 22 0.234 -19.140 -19.140 167 HA VAL 22 HA VAL 22 1.535 -19.884 -19.884 168 HB VAL 22 HB VAL 22 2.500 -19.710 -19.710 169 1HG1 VAL 22 HG13 VAL 22 3.994 -20.371 -20.371 170 2HG1 VAL 22 HG12 VAL 22 4.802 -19.678 -19.678 171 3HG1 VAL 22 HG11 VAL 22 3.997 -21.243 -21.243 172 1HG2 VAL 22 HG23 VAL 22 1.754 -17.629 -17.629 173 2HG2 VAL 22 HG22 VAL 22 3.443 -17.601 -17.601 174 3HG2 VAL 22 HG21 VAL 22 3.030 -17.925 -17.925 175 H ALA 23 HN ALA 23 0.205 -21.704 -21.704 176 HA ALA 23 HA ALA 23 1.725 -24.098 -24.098 177 1HB ALA 23 HB2 ALA 23 -1.192 -23.702 -23.702 178 2HB ALA 23 HB1 ALA 23 -0.331 -25.232 -25.232 179 3HB ALA 23 HB3 ALA 23 0.154 -23.842 -23.842 180 H LYS 24 HN LYS 24 -0.580 -22.464 -22.464 181 HA LYS 24 HA LYS 24 -1.753 -24.462 -24.462 182 1HB LYS 24 HB2 LYS 24 -2.314 -22.061 -22.061 183 2HB LYS 24 HB1 LYS 24 -0.816 -21.745 -21.745 184 1HG LYS 24 HG2 LYS 24 -1.509 -23.087 -23.087 185 2HG LYS 24 HG1 LYS 24 -2.879 -23.739 -23.739 186 1HD LYS 24 HD2 LYS 24 -2.536 -20.847 -20.847 187 2HD LYS 24 HD1 LYS 24 -3.559 -22.030 -22.030 188 1HE LYS 24 HE2 LYS 24 -3.926 -20.719 -20.719 189 2HE LYS 24 HE1 LYS 24 -5.112 -21.022 -21.022 190 1HZ LYS 24 HZ3 LYS 24 -4.700 -23.469 -23.469 191 2HZ LYS 24 HZ2 LYS 24 -3.998 -22.922 -22.922 192 3HZ LYS 24 HZ1 LYS 24 -5.627 -22.578 -22.578 193 H GLY 25 HN GLY 25 0.697 -22.418 -22.418 194 1HA GLY 25 HA2 GLY 25 2.487 -24.617 -24.617 195 2HA GLY 25 HA1 GLY 25 1.473 -24.281 -24.281 196 H GLU 26 HN GLU 26 4.210 -23.333 -23.333 197 HA GLU 26 HA GLU 26 5.570 -21.382 -21.382 198 1HB GLU 26 HB2 GLU 26 6.606 -21.297 -21.297 199 2HB GLU 26 HB1 GLU 26 6.846 -22.736 -22.736 200 1HG GLU 26 HG2 GLU 26 6.236 -23.513 -23.513 201 2HG GLU 26 HG1 GLU 26 4.797 -23.721 -23.721 202 H ASP 27 HN ASP 27 3.331 -20.132 -20.132 203 HA ASP 27 HA ASP 27 3.138 -18.240 -18.240 204 1HB ASP 27 HB2 ASP 27 1.155 -19.035 -19.035 205 2HB ASP 27 HB1 ASP 27 0.948 -17.577 -17.577 206 H VAL 28 HN VAL 28 5.291 -18.018 -18.018 207 HA VAL 28 HA VAL 28 4.542 -15.903 -15.903 208 HB VAL 28 HB VAL 28 6.909 -16.161 -16.161 209 1HG1 VAL 28 HG11 VAL 28 4.979 -18.483 -18.483 210 2HG1 VAL 28 HG13 VAL 28 6.474 -18.623 -18.623 211 3HG1 VAL 28 HG12 VAL 28 5.277 -17.410 -17.410 212 1HG2 VAL 28 HG22 VAL 28 7.499 -17.156 -17.156 213 2HG2 VAL 28 HG21 VAL 28 8.390 -17.650 -17.650 214 3HG2 VAL 28 HG23 VAL 28 7.103 -18.675 -18.675 215 H ASN 29 HN ASN 29 4.034 -14.663 -14.663 216 HA ASN 29 HA ASN 29 5.915 -12.562 -12.562 217 1HB ASN 29 HB2 ASN 29 6.074 -13.103 -13.103 218 2HB ASN 29 HB1 ASN 29 7.215 -13.867 -13.867 219 1HD2 ASN 29 HD21 ASN 29 6.559 -16.124 -16.124 220 2HD2 ASN 29 HD22 ASN 29 5.660 -17.098 -17.098 221 H ARG 30 HN ARG 30 3.278 -12.659 -12.659 222 HA ARG 30 HA ARG 30 1.654 -11.981 -11.981 223 1HB ARG 30 HB2 ARG 30 0.937 -12.622 -12.622 224 2HB ARG 30 HB1 ARG 30 -0.241 -12.035 -12.035 225 1HG ARG 30 HG2 ARG 30 0.163 -13.951 -13.951 226 2HG ARG 30 HG1 ARG 30 1.469 -14.507 -14.507 227 1HD ARG 30 HD2 ARG 30 -0.021 -15.080 -15.080 228 2HD ARG 30 HD1 ARG 30 -1.326 -14.111 -14.111 229 HE ARG 30 HE ARG 30 -0.806 -16.035 -16.035 230 1HH1 ARG 30 HH21 ARG 30 -1.554 -15.947 -15.947 231 2HH1 ARG 30 HH22 ARG 30 -2.406 -17.457 -17.457 232 1HH2 ARG 30 HH11 ARG 30 -1.917 -18.000 -18.000 233 2HH2 ARG 30 HH12 ARG 30 -2.638 -18.616 -18.616 234 H THR 31 HN THR 31 1.676 -9.842 -9.842 235 HA THR 31 HA THR 31 2.386 -7.735 -7.735 236 HB THR 31 HB THR 31 0.563 -7.412 -7.412 237 HG1 THR 31 HG1 THR 31 2.261 -7.641 -7.641 238 1HG2 THR 31 HG22 THR 31 1.317 -5.507 -5.507 239 2HG2 THR 31 HG21 THR 31 2.841 -5.621 -5.621 240 3HG2 THR 31 HG23 THR 31 1.355 -5.232 -5.232 241 H LEU 32 HN LEU 32 1.069 -8.349 -8.349 242 HA LEU 32 HA LEU 32 -1.801 -8.396 -8.396 243 1HB LEU 32 HB2 LEU 32 -1.921 -8.667 -8.667 244 2HB LEU 32 HB1 LEU 32 -0.681 -9.717 -9.717 245 HG LEU 32 HG LEU 32 0.191 -8.781 -8.781 246 1HD1 LEU 32 HD12 LEU 32 1.786 -8.810 -8.810 247 2HD1 LEU 32 HD11 LEU 32 1.454 -7.088 -7.088 248 3HD1 LEU 32 HD13 LEU 32 2.189 -7.657 -7.657 249 1HD2 LEU 32 HD21 LEU 32 -1.486 -6.656 -6.656 250 2HD2 LEU 32 HD23 LEU 32 -0.213 -6.727 -6.727 251 3HD2 LEU 32 HD22 LEU 32 0.086 -5.924 -5.924 252 H GLU 33 HN GLU 33 0.495 -5.825 -5.825 253 HA GLU 33 HA GLU 33 -1.659 -4.018 -4.018 254 1HB GLU 33 HB2 GLU 33 0.522 -3.625 -3.625 255 2HB GLU 33 HB1 GLU 33 1.271 -3.510 -3.510 256 1HG GLU 33 HG2 GLU 33 0.220 -1.434 -1.434 257 2HG GLU 33 HG1 GLU 33 -0.967 -1.653 -1.653 258 H GLY 34 HN GLY 34 0.728 -3.490 -3.490 259 1HA GLY 34 HA2 GLY 34 -1.286 -3.328 -3.328 260 2HA GLY 34 HA1 GLY 34 -0.801 -1.723 -1.723 261 H GLY 35 HN GLY 35 1.931 -2.913 -2.913 262 1HA GLY 35 HA2 GLY 35 3.051 -3.683 -3.683 263 2HA GLY 35 HA1 GLY 35 3.397 -2.001 -2.001 264 H ARG 36 HN ARG 36 3.008 -4.423 -4.423 265 HA ARG 36 HA ARG 36 5.946 -4.290 -4.290 266 1HB ARG 36 HB2 ARG 36 3.832 -4.762 -4.762 267 2HB ARG 36 HB1 ARG 36 5.507 -4.243 -4.243 268 1HG ARG 36 HG2 ARG 36 3.338 -2.610 -2.610 269 2HG ARG 36 HG1 ARG 36 3.927 -2.349 -2.349 270 1HD ARG 36 HD2 ARG 36 6.288 -2.307 -2.307 271 2HD ARG 36 HD1 ARG 36 5.226 -1.697 -1.697 272 HE ARG 36 HE ARG 36 6.191 -0.195 -0.195 273 1HH1 ARG 36 HH21 ARG 36 3.200 -0.950 -0.950 274 2HH1 ARG 36 HH22 ARG 36 2.384 0.449 0.449 275 1HH2 ARG 36 HH11 ARG 36 5.132 1.648 1.648 276 2HH2 ARG 36 HH12 ARG 36 3.473 1.917 1.917 277 H LYS 37 HN LYS 37 5.954 -6.213 -6.213 278 HA LYS 37 HA LYS 37 4.953 -8.714 -8.714 279 1HB LYS 37 HB2 LYS 37 7.068 -9.697 -9.697 280 2HB LYS 37 HB1 LYS 37 7.426 -8.034 -8.034 281 1HG LYS 37 HG2 LYS 37 7.840 -9.327 -9.327 282 2HG LYS 37 HG1 LYS 37 9.091 -8.860 -8.860 283 1HD LYS 37 HD2 LYS 37 7.156 -6.908 -6.908 284 2HD LYS 37 HD1 LYS 37 8.791 -7.215 -7.215 285 1HE LYS 37 HE2 LYS 37 7.937 -5.933 -5.933 286 2HE LYS 37 HE1 LYS 37 9.009 -5.286 -5.286 287 1HZ LYS 37 HZ1 LYS 37 10.474 -7.279 -7.279 288 2HZ LYS 37 HZ3 LYS 37 9.551 -7.393 -7.393 289 3HZ LYS 37 HZ2 LYS 37 10.435 -5.979 -5.979 290 HA PRO 38 HA PRO 38 4.280 -9.753 -9.753 291 1HB PRO 38 HB2 PRO 38 4.935 -12.482 -12.482 292 2HB PRO 38 HB1 PRO 38 3.428 -11.817 -11.817 293 1HG PRO 38 HG2 PRO 38 5.592 -13.106 -13.106 294 2HG PRO 38 HG1 PRO 38 4.027 -12.556 -12.556 295 1HD PRO 38 HD2 PRO 38 6.654 -11.247 -11.247 296 2HD PRO 38 HD1 PRO 38 5.139 -10.855 -10.855 297 H LEU 39 HN LEU 39 7.234 -8.932 -8.932 298 HA LEU 39 HA LEU 39 8.442 -10.313 -10.313 299 1HB LEU 39 HB2 LEU 39 9.470 -10.841 -10.841 300 2HB LEU 39 HB1 LEU 39 9.879 -9.140 -9.140 301 HG LEU 39 HG LEU 39 11.558 -9.261 -9.261 302 1HD1 LEU 39 HD13 LEU 39 10.173 -11.695 -11.695 303 2HD1 LEU 39 HD12 LEU 39 11.786 -11.173 -11.173 304 3HD1 LEU 39 HD11 LEU 39 10.403 -10.121 -10.121 305 1HD2 LEU 39 HD23 LEU 39 11.775 -10.933 -10.933 306 2HD2 LEU 39 HD22 LEU 39 12.953 -10.987 -10.987 307 3HD2 LEU 39 HD21 LEU 39 11.640 -12.162 -12.162 308 H HIS 40 HN HIS 40 7.650 -7.331 -7.331 309 HA HIS 40 HA HIS 40 9.442 -5.614 -5.614 310 1HB HIS 40 HB2 HIS 40 8.360 -4.820 -4.820 311 2HB HIS 40 HB1 HIS 40 6.769 -5.007 -5.007 312 HD1 HIS 40 HD1 HIS 40 9.989 -3.042 -3.042 313 HD2 HIS 40 HD2 HIS 40 5.935 -2.817 -2.817 314 HE1 HIS 40 HE1 HIS 40 9.642 -0.802 -0.802 315 H TYR 41 HN TYR 41 6.037 -6.548 -6.548 316 HA TYR 41 HA TYR 41 5.772 -5.074 -5.074 317 1HB TYR 41 HB2 TYR 41 4.133 -7.475 -7.475 318 2HB TYR 41 HB1 TYR 41 3.625 -6.089 -6.089 319 HD1 TYR 41 HD1 TYR 41 4.561 -7.243 -7.243 320 HD2 TYR 41 HD2 TYR 41 2.952 -4.012 -4.012 321 HE1 TYR 41 HE1 TYR 41 3.898 -6.092 -6.092 322 HE2 TYR 41 HE2 TYR 41 2.289 -2.840 -2.840 323 HH TYR 41 HH TYR 41 2.385 -4.410 -4.410 324 H ALA 42 HN ALA 42 6.576 -8.401 -8.401 325 HA ALA 42 HA ALA 42 6.602 -9.481 -9.481 326 1HB ALA 42 HB2 ALA 42 6.740 -10.670 -10.670 327 2HB ALA 42 HB1 ALA 42 8.472 -10.381 -10.381 328 3HB ALA 42 HB3 ALA 42 7.642 -11.369 -11.369 329 H ALA 43 HN ALA 43 9.261 -8.498 -8.498 330 HA ALA 43 HA ALA 43 11.386 -8.433 -8.433 331 1HB ALA 43 HB1 ALA 43 10.705 -6.424 -6.424 332 2HB ALA 43 HB3 ALA 43 12.310 -6.665 -6.665 333 3HB ALA 43 HB2 ALA 43 11.547 -7.952 -7.952 334 H ASP 44 HN ASP 44 9.519 -5.508 -5.508 335 HA ASP 44 HA ASP 44 10.516 -3.860 -3.860 336 1HB ASP 44 HB2 ASP 44 7.922 -3.795 -3.795 337 2HB ASP 44 HB1 ASP 44 8.421 -2.494 -2.494 338 H CYS 45 HN CYS 45 7.817 -6.172 -6.172 339 HA CYS 45 HA CYS 45 7.819 -5.829 -5.829 340 1HB CYS 45 HB2 CYS 45 5.504 -4.966 -4.966 341 2HB CYS 45 HB1 CYS 45 5.286 -5.381 -5.381 342 HG CYS 45 HG CYS 45 5.747 -2.854 -2.854 343 H GLY 46 HN GLY 46 8.470 -8.123 -8.123 344 1HA GLY 46 HA2 GLY 46 5.978 -9.797 -9.797 345 2HA GLY 46 HA1 GLY 46 7.498 -10.213 -10.213 346 H GLN 47 HN GLN 47 7.484 -8.941 -8.941 347 HA GLN 47 HA GLN 47 8.312 -9.962 -9.962 348 1HB GLN 47 HB2 GLN 47 6.591 -12.134 -12.134 349 2HB GLN 47 HB1 GLN 47 7.363 -12.320 -12.320 350 1HG GLN 47 HG2 GLN 47 4.939 -11.436 -11.436 351 2HG GLN 47 HG1 GLN 47 6.097 -10.573 -10.573 352 1HE2 GLN 47 HE21 GLN 47 4.009 -10.284 -10.284 353 2HE2 GLN 47 HE22 GLN 47 4.391 -8.667 -8.667 354 H LEU 48 HN LEU 48 9.492 -10.339 -10.339 355 HA LEU 48 HA LEU 48 11.373 -11.200 -11.200 356 1HB LEU 48 HB2 LEU 48 12.093 -11.732 -11.732 357 2HB LEU 48 HB1 LEU 48 13.195 -11.884 -11.884 358 HG LEU 48 HG LEU 48 13.709 -9.709 -9.709 359 1HD1 LEU 48 HD13 LEU 48 10.923 -9.129 -9.129 360 2HD1 LEU 48 HD12 LEU 48 12.199 -7.935 -7.935 361 3HD1 LEU 48 HD11 LEU 48 12.400 -9.256 -9.256 362 1HD2 LEU 48 HD22 LEU 48 11.143 -9.442 -9.442 363 2HD2 LEU 48 HD21 LEU 48 12.742 -9.789 -9.789 364 3HD2 LEU 48 HD23 LEU 48 12.416 -8.223 -8.223 365 H GLU 49 HN GLU 49 9.119 -13.101 -13.101 366 HA GLU 49 HA GLU 49 10.560 -15.667 -15.667 367 1HB GLU 49 HB2 GLU 49 8.128 -16.552 -16.552 368 2HB GLU 49 HB1 GLU 49 9.223 -16.061 -16.061 369 1HG GLU 49 HG2 GLU 49 8.195 -13.839 -13.839 370 2HG GLU 49 HG1 GLU 49 7.157 -14.260 -14.260 371 H ILE 50 HN ILE 50 7.964 -13.602 -13.602 372 HA ILE 50 HA ILE 50 6.930 -15.236 -15.236 373 HB ILE 50 HB ILE 50 7.009 -12.217 -12.217 374 1HG1 ILE 50 HG12 ILE 50 5.701 -14.140 -14.140 375 2HG1 ILE 50 HG11 ILE 50 5.740 -12.396 -12.396 376 1HG2 ILE 50 HG23 ILE 50 6.357 -13.368 -13.368 377 2HG2 ILE 50 HG22 ILE 50 4.910 -13.916 -13.916 378 3HG2 ILE 50 HG21 ILE 50 5.222 -12.192 -12.192 379 1HD1 ILE 50 HD12 ILE 50 3.762 -13.793 -13.793 380 2HD1 ILE 50 HD11 ILE 50 3.420 -13.522 -13.522 381 3HD1 ILE 50 HD13 ILE 50 3.693 -12.150 -12.150 382 H LEU 51 HN LEU 51 9.470 -12.730 -12.730 383 HA LEU 51 HA LEU 51 9.743 -12.890 -12.890 384 1HB LEU 51 HB2 LEU 51 12.350 -12.416 -12.416 385 2HB LEU 51 HB1 LEU 51 11.125 -11.182 -11.182 386 HG LEU 51 HG LEU 51 12.359 -10.850 -10.850 387 1HD1 LEU 51 HD13 LEU 51 9.562 -10.916 -10.916 388 2HD1 LEU 51 HD12 LEU 51 9.915 -11.666 -11.666 389 3HD1 LEU 51 HD11 LEU 51 10.515 -10.050 -10.050 390 1HD2 LEU 51 HD21 LEU 51 12.773 -13.415 -13.415 391 2HD2 LEU 51 HD23 LEU 51 12.665 -12.474 -12.474 392 3HD2 LEU 51 HD22 LEU 51 11.286 -13.431 -13.431 393 H GLU 52 HN GLU 52 11.675 -14.742 -14.742 394 HA GLU 52 HA GLU 52 13.093 -16.295 -16.295 395 1HB GLU 52 HB2 GLU 52 12.197 -16.630 -16.630 396 2HB GLU 52 HB1 GLU 52 12.536 -18.145 -18.145 397 1HG GLU 52 HG2 GLU 52 14.492 -15.852 -15.852 398 2HG GLU 52 HG1 GLU 52 14.483 -16.932 -16.932 399 H PHE 53 HN PHE 53 9.691 -16.511 -16.511 400 HA PHE 53 HA PHE 53 9.247 -19.135 -19.135 401 1HB PHE 53 HB2 PHE 53 7.623 -18.130 -18.130 402 2HB PHE 53 HB1 PHE 53 7.318 -16.840 -16.840 403 HD1 PHE 53 HD1 PHE 53 7.509 -20.600 -20.600 404 HD2 PHE 53 HD2 PHE 53 5.384 -17.062 -17.062 405 HE1 PHE 53 HE1 PHE 53 5.829 -21.995 -21.995 406 HE2 PHE 53 HE2 PHE 53 3.703 -18.460 -18.460 407 HZ PHE 53 HZ PHE 53 3.929 -20.928 -20.928 408 H LEU 54 HN LEU 54 7.513 -16.457 -16.457 409 HA LEU 54 HA LEU 54 7.291 -17.683 -17.683 410 1HB LEU 54 HB2 LEU 54 6.361 -15.649 -15.649 411 2HB LEU 54 HB1 LEU 54 6.062 -15.690 -15.690 412 HG LEU 54 HG LEU 54 6.750 -13.486 -13.486 413 1HD1 LEU 54 HD11 LEU 54 7.708 -14.674 -14.674 414 2HD1 LEU 54 HD13 LEU 54 9.206 -14.823 -14.823 415 3HD1 LEU 54 HD12 LEU 54 8.556 -13.228 -13.228 416 1HD2 LEU 54 HD22 LEU 54 8.182 -14.510 -14.510 417 2HD2 LEU 54 HD21 LEU 54 8.309 -12.859 -12.859 418 3HD2 LEU 54 HD23 LEU 54 9.466 -14.081 -14.081 419 H LEU 55 HN LEU 55 10.148 -16.573 -16.573 420 HA LEU 55 HA LEU 55 11.434 -15.990 -15.990 421 1HB LEU 55 HB2 LEU 55 11.812 -14.766 -14.766 422 2HB LEU 55 HB1 LEU 55 12.859 -16.135 -16.135 423 HG LEU 55 HG LEU 55 13.091 -14.375 -14.375 424 1HD1 LEU 55 HD12 LEU 55 14.462 -14.350 -14.350 425 2HD1 LEU 55 HD11 LEU 55 15.218 -13.649 -13.649 426 3HD1 LEU 55 HD13 LEU 55 13.678 -13.018 -13.018 427 1HD2 LEU 55 HD21 LEU 55 14.570 -16.790 -16.790 428 2HD2 LEU 55 HD23 LEU 55 14.116 -16.368 -16.368 429 3HD2 LEU 55 HD22 LEU 55 15.470 -15.555 -15.555 430 H LEU 56 HN LEU 56 11.592 -18.423 -18.423 431 HA LEU 56 HA LEU 56 13.717 -19.916 -19.916 432 1HB LEU 56 HB2 LEU 56 13.226 -21.685 -21.685 433 2HB LEU 56 HB1 LEU 56 12.800 -20.214 -20.214 434 HG LEU 56 HG LEU 56 10.405 -20.666 -20.666 435 1HD1 LEU 56 HD13 LEU 56 11.792 -23.333 -23.333 436 2HD1 LEU 56 HD12 LEU 56 10.090 -23.288 -23.288 437 3HD1 LEU 56 HD11 LEU 56 10.608 -22.594 -22.594 438 1HD2 LEU 56 HD21 LEU 56 10.997 -20.557 -20.557 439 2HD2 LEU 56 HD23 LEU 56 9.760 -21.763 -21.763 440 3HD2 LEU 56 HD22 LEU 56 11.422 -22.269 -22.269 441 H LYS 57 HN LYS 57 10.320 -19.754 -19.754 442 HA LYS 57 HA LYS 57 10.221 -22.111 -22.111 443 1HB LYS 57 HB2 LYS 57 8.218 -21.066 -21.066 444 2HB LYS 57 HB1 LYS 57 8.451 -19.653 -19.653 445 1HG LYS 57 HG2 LYS 57 6.871 -20.849 -20.849 446 2HG LYS 57 HG1 LYS 57 8.373 -21.389 -21.389 447 1HD LYS 57 HD2 LYS 57 7.297 -23.432 -23.432 448 2HD LYS 57 HD1 LYS 57 8.267 -23.288 -23.288 449 1HE LYS 57 HE2 LYS 57 5.997 -23.926 -23.926 450 2HE LYS 57 HE1 LYS 57 6.290 -22.278 -22.278 451 1HZ LYS 57 HZ2 LYS 57 5.297 -21.567 -21.567 452 2HZ LYS 57 HZ1 LYS 57 4.766 -23.168 -23.168 453 3HZ LYS 57 HZ3 LYS 57 4.216 -22.245 -22.245 454 H GLY 58 HN GLY 58 9.057 -19.300 -19.300 455 1HA GLY 58 HA2 GLY 58 10.940 -19.656 -19.656 456 2HA GLY 58 HA1 GLY 58 9.781 -18.320 -18.320 457 H ALA 59 HN ALA 59 10.886 -16.371 -16.371 458 HA ALA 59 HA ALA 59 12.444 -15.656 -15.656 459 1HB ALA 59 HB2 ALA 59 14.052 -17.043 -17.043 460 2HB ALA 59 HB1 ALA 59 14.774 -15.684 -15.684 461 3HB ALA 59 HB3 ALA 59 14.206 -17.095 -17.095 462 H ASP 60 HN ASP 60 11.034 -13.930 -13.930 463 HA ASP 60 HA ASP 60 11.750 -12.318 -12.318 464 1HB ASP 60 HB2 ASP 60 9.446 -12.424 -12.424 465 2HB ASP 60 HB1 ASP 60 10.130 -11.465 -11.465 466 H ILE 61 HN ILE 61 13.356 -13.060 -13.060 467 HA ILE 61 HA ILE 61 14.212 -10.810 -10.810 468 HB ILE 61 HB ILE 61 14.837 -13.200 -13.200 469 1HG1 ILE 61 HG12 ILE 61 17.035 -11.122 -11.122 470 2HG1 ILE 61 HG11 ILE 61 16.100 -11.599 -11.599 471 1HG2 ILE 61 HG21 ILE 61 15.375 -13.510 -13.510 472 2HG2 ILE 61 HG23 ILE 61 16.940 -12.777 -12.777 473 3HG2 ILE 61 HG22 ILE 61 16.465 -14.284 -14.284 474 1HD1 ILE 61 HD12 ILE 61 17.157 -14.013 -14.013 475 2HD1 ILE 61 HD11 ILE 61 18.445 -12.923 -12.923 476 3HD1 ILE 61 HD13 ILE 61 17.909 -12.920 -12.920 477 H ASN 62 HN ASN 62 14.918 -11.708 -11.708 478 HA ASN 62 HA ASN 62 16.707 -9.331 -9.331 479 1HB ASN 62 HB2 ASN 62 17.993 -10.600 -10.600 480 2HB ASN 62 HB1 ASN 62 18.085 -11.354 -11.354 481 1HD2 ASN 62 HD21 ASN 62 15.612 -12.698 -12.698 482 2HD2 ASN 62 HD22 ASN 62 15.568 -13.885 -13.885 483 H ALA 63 HN ALA 63 14.372 -11.448 -11.448 484 HA ALA 63 HA ALA 63 13.894 -10.869 -10.869 485 1HB ALA 63 HB3 ALA 63 11.879 -10.517 -10.517 486 2HB ALA 63 HB2 ALA 63 11.420 -10.201 -10.201 487 3HB ALA 63 HB1 ALA 63 12.010 -11.795 -11.795 488 HA PRO 64 HA PRO 64 12.050 -6.152 -6.152 489 1HB PRO 64 HB2 PRO 64 14.779 -5.754 -5.754 490 2HB PRO 64 HB1 PRO 64 13.255 -4.917 -4.917 491 1HG PRO 64 HG2 PRO 64 14.294 -7.172 -7.172 492 2HG PRO 64 HG1 PRO 64 12.660 -6.505 -6.505 493 1HD PRO 64 HD2 PRO 64 13.257 -9.060 -9.060 494 2HD PRO 64 HD1 PRO 64 11.730 -8.194 -8.194 495 H ASP 65 HN ASP 65 12.181 -4.872 -4.872 496 HA ASP 65 HA ASP 65 14.670 -4.709 -4.709 497 1HB ASP 65 HB2 ASP 65 11.939 -5.582 -5.582 498 2HB ASP 65 HB1 ASP 65 13.122 -4.862 -4.862 499 H LYS 66 HN LYS 66 11.345 -3.606 -3.606 500 HA LYS 66 HA LYS 66 11.940 -0.949 -0.949 501 1HB LYS 66 HB2 LYS 66 9.779 -2.371 -2.371 502 2HB LYS 66 HB1 LYS 66 9.399 -1.802 -1.802 503 1HG LYS 66 HG2 LYS 66 10.091 0.026 0.026 504 2HG LYS 66 HG1 LYS 66 8.455 -0.405 -0.405 505 1HD LYS 66 HD2 LYS 66 9.451 0.398 0.398 506 2HD LYS 66 HD1 LYS 66 10.354 1.445 1.445 507 1HE LYS 66 HE2 LYS 66 8.245 2.206 2.206 508 2HE LYS 66 HE1 LYS 66 7.340 1.158 1.158 509 1HZ LYS 66 HZ3 LYS 66 8.739 2.429 2.429 510 2HZ LYS 66 HZ2 LYS 66 8.819 3.620 3.620 511 3HZ LYS 66 HZ1 LYS 66 7.312 3.101 3.101 512 H HIS 67 HN HIS 67 11.607 -2.596 -2.596 513 HA HIS 67 HA HIS 67 11.361 -0.160 -0.160 514 1HB HIS 67 HB2 HIS 67 12.017 -3.014 -3.014 515 2HB HIS 67 HB1 HIS 67 11.785 -1.710 -1.710 516 HD1 HIS 67 HD1 HIS 67 9.350 -0.319 -0.319 517 HD2 HIS 67 HD2 HIS 67 9.635 -4.389 -4.389 518 HE1 HIS 67 HE1 HIS 67 6.976 -1.198 -1.198 519 H HIS 68 HN HIS 68 13.854 -1.455 -1.455 520 HA HIS 68 HA HIS 68 16.202 -1.392 -1.392 521 1HB HIS 68 HB2 HIS 68 15.754 1.295 1.295 522 2HB HIS 68 HB1 HIS 68 16.964 0.836 0.836 523 HD1 HIS 68 HD1 HIS 68 15.462 -0.269 -0.269 524 HD2 HIS 68 HD2 HIS 68 13.929 2.888 2.888 525 HE1 HIS 68 HE1 HIS 68 13.786 0.918 0.918 526 H ILE 69 HN ILE 69 14.675 -2.378 -2.378 527 HA ILE 69 HA ILE 69 17.022 -2.351 -2.351 528 HB ILE 69 HB ILE 69 15.020 -0.445 -0.445 529 1HG1 ILE 69 HG12 ILE 69 17.415 -0.363 -0.363 530 2HG1 ILE 69 HG11 ILE 69 16.404 0.013 0.013 531 1HG2 ILE 69 HG21 ILE 69 13.590 -2.236 -2.236 532 2HG2 ILE 69 HG23 ILE 69 14.915 -2.604 -2.604 533 3HG2 ILE 69 HG22 ILE 69 14.138 -1.028 -1.028 534 1HD1 ILE 69 HD12 ILE 69 16.610 -2.579 -2.579 535 2HD1 ILE 69 HD11 ILE 69 18.056 -2.433 -2.433 536 3HD1 ILE 69 HD13 ILE 69 17.894 -1.485 -1.485 537 H THR 70 HN THR 70 16.949 -3.771 -3.771 538 HA THR 70 HA THR 70 15.069 -6.021 -6.021 539 HB THR 70 HB THR 70 17.149 -6.948 -6.948 540 HG1 THR 70 HG1 THR 70 16.915 -8.278 -8.278 541 1HG2 THR 70 HG23 THR 70 18.178 -4.842 -4.842 542 2HG2 THR 70 HG22 THR 70 19.225 -6.102 -6.102 543 3HG2 THR 70 HG21 THR 70 18.453 -4.957 -4.957 544 HA PRO 71 HA PRO 71 13.539 -5.166 -5.166 545 1HB PRO 71 HB2 PRO 71 13.457 -8.008 -8.008 546 2HB PRO 71 HB1 PRO 71 12.118 -6.894 -6.894 547 1HG PRO 71 HG2 PRO 71 12.742 -8.879 -8.879 548 2HG PRO 71 HG1 PRO 71 12.187 -7.294 -7.294 549 1HD PRO 71 HD2 PRO 71 15.000 -8.340 -8.340 550 2HD PRO 71 HD1 PRO 71 14.185 -7.453 -7.453 551 H LEU 72 HN LEU 72 16.620 -6.870 -6.870 552 HA LEU 72 HA LEU 72 16.718 -7.031 -7.031 553 1HB LEU 72 HB2 LEU 72 19.291 -6.219 -6.219 554 2HB LEU 72 HB1 LEU 72 18.905 -7.614 -7.614 555 HG LEU 72 HG LEU 72 19.487 -8.593 -8.593 556 1HD1 LEU 72 HD11 LEU 72 16.740 -8.725 -8.725 557 2HD1 LEU 72 HD13 LEU 72 16.794 -8.529 -8.529 558 3HD1 LEU 72 HD12 LEU 72 17.656 -9.852 -9.852 559 1HD2 LEU 72 HD23 LEU 72 19.744 -6.476 -6.476 560 2HD2 LEU 72 HD22 LEU 72 18.910 -7.667 -7.667 561 3HD2 LEU 72 HD21 LEU 72 18.002 -6.370 -6.370 562 H LEU 73 HN LEU 73 17.304 -4.297 -4.297 563 HA LEU 73 HA LEU 73 18.194 -2.571 -2.571 564 1HB LEU 73 HB2 LEU 73 17.002 -1.844 -1.844 565 2HB LEU 73 HB1 LEU 73 17.836 -0.739 -0.739 566 HG LEU 73 HG LEU 73 19.740 -2.563 -2.563 567 1HD1 LEU 73 HD11 LEU 73 17.871 -3.544 -3.544 568 2HD1 LEU 73 HD13 LEU 73 19.400 -3.146 -3.146 569 3HD1 LEU 73 HD12 LEU 73 19.373 -4.265 -4.265 570 1HD2 LEU 73 HD21 LEU 73 19.099 -0.334 -0.334 571 2HD2 LEU 73 HD23 LEU 73 20.372 -0.454 -0.454 572 3HD2 LEU 73 HD22 LEU 73 20.520 -1.330 -1.330 573 H SER 74 HN SER 74 15.117 -3.669 -3.669 574 HA SER 74 HA SER 74 13.481 -1.550 -1.550 575 1HB SER 74 HB2 SER 74 11.823 -2.986 -2.986 576 2HB SER 74 HB1 SER 74 13.059 -4.205 -4.205 577 HG SER 74 HG SER 74 11.660 -3.666 -3.666 578 H ALA 75 HN ALA 75 14.626 -4.456 -4.456 579 HA ALA 75 HA ALA 75 13.581 -3.695 -3.695 580 1HB ALA 75 HB3 ALA 75 15.704 -5.689 -5.689 581 2HB ALA 75 HB2 ALA 75 15.195 -5.460 -5.460 582 3HB ALA 75 HB1 ALA 75 14.032 -6.013 -6.013 583 H VAL 76 HN VAL 76 16.652 -3.093 -3.093 584 HA VAL 76 HA VAL 76 18.312 -2.338 -2.338 585 HB VAL 76 HB VAL 76 17.878 -1.247 -1.247 586 1HG1 VAL 76 HG12 VAL 76 19.054 0.455 0.455 587 2HG1 VAL 76 HG11 VAL 76 20.437 -0.580 -0.580 588 3HG1 VAL 76 HG13 VAL 76 19.603 0.253 0.253 589 1HG2 VAL 76 HG23 VAL 76 20.020 -2.909 -2.909 590 2HG2 VAL 76 HG22 VAL 76 18.765 -3.487 -3.487 591 3HG2 VAL 76 HG21 VAL 76 20.029 -2.405 -2.405 592 H TYR 77 HN TYR 77 16.327 0.070 0.070 593 HA TYR 77 HA TYR 77 16.526 1.895 1.895 594 1HB TYR 77 HB2 TYR 77 14.398 2.436 2.436 595 2HB TYR 77 HB1 TYR 77 15.678 3.492 3.492 596 HD1 TYR 77 HD1 TYR 77 14.760 0.922 0.922 597 HD2 TYR 77 HD2 TYR 77 17.873 3.518 3.518 598 HE1 TYR 77 HE1 TYR 77 16.051 0.489 0.489 599 HE2 TYR 77 HE2 TYR 77 19.161 3.094 3.094 600 HH TYR 77 HH TYR 77 17.991 1.968 1.968 601 H GLU 78 HN GLU 78 15.540 -0.361 -0.361 602 HA GLU 78 HA GLU 78 12.654 0.300 0.300 603 1HB GLU 78 HB2 GLU 78 13.236 -1.789 -1.789 604 2HB GLU 78 HB1 GLU 78 13.647 -2.540 -2.540 605 1HG GLU 78 HG2 GLU 78 11.351 -3.063 -3.063 606 2HG GLU 78 HG1 GLU 78 11.350 -1.744 -1.744 607 H GLY 79 HN GLY 79 15.647 -1.044 -1.044 608 1HA GLY 79 HA2 GLY 79 16.438 -0.839 -0.839 609 2HA GLY 79 HA1 GLY 79 14.780 -0.542 -0.542 610 H HIS 80 HN HIS 80 14.434 -2.886 -2.886 611 HA HIS 80 HA HIS 80 14.152 -5.030 -5.030 612 1HB HIS 80 HB2 HIS 80 13.572 -4.670 -4.670 613 2HB HIS 80 HB1 HIS 80 13.657 -6.298 -6.298 614 HD1 HIS 80 HD1 HIS 80 11.471 -7.133 -7.133 615 HD2 HIS 80 HD2 HIS 80 11.677 -3.033 -3.033 616 HE1 HIS 80 HE1 HIS 80 9.276 -6.487 -6.487 617 H VAL 81 HN VAL 81 15.859 -4.788 -4.788 618 HA VAL 81 HA VAL 81 17.595 -6.177 -6.177 619 HB VAL 81 HB VAL 81 19.691 -5.549 -5.549 620 1HG1 VAL 81 HG13 VAL 81 18.938 -4.579 -4.579 621 2HG1 VAL 81 HG12 VAL 81 18.087 -3.346 -3.346 622 3HG1 VAL 81 HG11 VAL 81 19.840 -3.476 -3.476 623 1HG2 VAL 81 HG22 VAL 81 18.198 -4.848 -4.848 624 2HG2 VAL 81 HG21 VAL 81 19.267 -3.564 -3.564 625 3HG2 VAL 81 HG23 VAL 81 17.570 -3.564 -3.564 626 H SER 82 HN SER 82 15.844 -7.483 -7.483 627 HA SER 82 HA SER 82 17.711 -9.429 -9.429 628 1HB SER 82 HB2 SER 82 14.869 -8.700 -8.700 629 2HB SER 82 HB1 SER 82 15.107 -10.443 -10.443 630 HG SER 82 HG SER 82 16.373 -8.568 -8.568 631 H CYS 83 HN CYS 83 15.902 -8.694 -8.694 632 HA CYS 83 HA CYS 83 15.754 -11.415 -11.415 633 1HB CYS 83 HB2 CYS 83 15.092 -9.841 -9.841 634 2HB CYS 83 HB1 CYS 83 13.949 -10.284 -10.284 635 HG CYS 83 HG CYS 83 13.969 -7.658 -7.658 636 H VAL 84 HN VAL 84 17.379 -8.350 -8.350 637 HA VAL 84 HA VAL 84 18.947 -9.129 -9.129 638 HB VAL 84 HB VAL 84 20.721 -7.618 -7.618 639 1HG1 VAL 84 HG11 VAL 84 18.574 -6.768 -6.768 640 2HG1 VAL 84 HG13 VAL 84 17.955 -6.517 -6.517 641 3HG1 VAL 84 HG12 VAL 84 19.371 -5.620 -5.620 642 1HG2 VAL 84 HG22 VAL 84 19.125 -8.042 -8.042 643 2HG2 VAL 84 HG21 VAL 84 20.875 -8.118 -8.118 644 3HG2 VAL 84 HG23 VAL 84 20.058 -6.561 -6.561 645 H LYS 85 HN LYS 85 19.609 -9.849 -9.849 646 HA LYS 85 HA LYS 85 22.088 -11.110 -11.110 647 1HB LYS 85 HB2 LYS 85 20.062 -10.858 -10.858 648 2HB LYS 85 HB1 LYS 85 20.492 -12.557 -12.557 649 1HG LYS 85 HG2 LYS 85 22.028 -11.693 -11.693 650 2HG LYS 85 HG1 LYS 85 22.958 -11.705 -11.705 651 1HD LYS 85 HD2 LYS 85 22.207 -9.304 -9.304 652 2HD LYS 85 HD1 LYS 85 21.570 -9.335 -9.335 653 1HE LYS 85 HE2 LYS 85 24.443 -10.064 -10.064 654 2HE LYS 85 HE1 LYS 85 23.951 -8.398 -8.398 655 1HZ LYS 85 HZ2 LYS 85 23.237 -10.530 -10.530 656 2HZ LYS 85 HZ1 LYS 85 24.753 -9.768 -9.768 657 3HZ LYS 85 HZ3 LYS 85 23.338 -8.853 -8.853 658 H LEU 86 HN LEU 86 19.163 -13.127 -13.127 659 HA LEU 86 HA LEU 86 20.419 -15.340 -15.340 660 1HB LEU 86 HB2 LEU 86 18.229 -16.454 -16.454 661 2HB LEU 86 HB1 LEU 86 18.659 -15.814 -15.814 662 HG LEU 86 HG LEU 86 16.287 -15.505 -15.505 663 1HD1 LEU 86 HD11 LEU 86 17.692 -13.897 -13.897 664 2HD1 LEU 86 HD13 LEU 86 17.505 -12.769 -12.769 665 3HD1 LEU 86 HD12 LEU 86 16.085 -13.388 -13.388 666 1HD2 LEU 86 HD23 LEU 86 16.727 -15.092 -15.092 667 2HD2 LEU 86 HD22 LEU 86 15.500 -14.092 -14.092 668 3HD2 LEU 86 HD21 LEU 86 17.098 -13.428 -13.428 669 H LEU 87 HN LEU 87 19.359 -12.606 -12.606 670 HA LEU 87 HA LEU 87 18.133 -13.761 -13.761 671 1HB LEU 87 HB2 LEU 87 18.552 -11.203 -11.203 672 2HB LEU 87 HB1 LEU 87 19.393 -11.176 -11.176 673 HG LEU 87 HG LEU 87 16.533 -12.115 -12.115 674 1HD1 LEU 87 HD12 LEU 87 17.643 -9.440 -9.440 675 2HD1 LEU 87 HD11 LEU 87 15.950 -9.916 -9.916 676 3HD1 LEU 87 HD13 LEU 87 16.693 -9.746 -9.746 677 1HD2 LEU 87 HD21 LEU 87 18.280 -11.498 -11.498 678 2HD2 LEU 87 HD23 LEU 87 17.532 -13.043 -13.043 679 3HD2 LEU 87 HD22 LEU 87 16.531 -11.686 -11.686 680 H LEU 88 HN LEU 88 21.354 -12.082 -12.082 681 HA LEU 88 HA LEU 88 22.072 -13.142 -13.142 682 1HB LEU 88 HB2 LEU 88 24.312 -12.508 -12.508 683 2HB LEU 88 HB1 LEU 88 23.306 -11.309 -11.309 684 HG LEU 88 HG LEU 88 25.085 -11.809 -11.809 685 1HD1 LEU 88 HD11 LEU 88 22.702 -11.739 -11.739 686 2HD1 LEU 88 HD13 LEU 88 22.799 -13.496 -13.496 687 3HD1 LEU 88 HD12 LEU 88 23.898 -12.486 -12.486 688 1HD2 LEU 88 HD23 LEU 88 25.249 -14.281 -14.281 689 2HD2 LEU 88 HD22 LEU 88 26.085 -13.830 -13.830 690 3HD2 LEU 88 HD21 LEU 88 24.554 -14.699 -14.699 691 H SER 89 HN SER 89 21.554 -14.737 -14.737 692 HA SER 89 HA SER 89 23.418 -16.895 -16.895 693 1HB SER 89 HB2 SER 89 21.711 -16.309 -16.309 694 2HB SER 89 HB1 SER 89 20.623 -17.347 -17.347 695 HG SER 89 HG SER 89 22.685 -18.751 -18.751 696 H LYS 90 HN LYS 90 20.780 -15.862 -15.862 697 HA LYS 90 HA LYS 90 20.453 -18.478 -18.478 698 1HB LYS 90 HB2 LYS 90 18.780 -15.963 -15.963 699 2HB LYS 90 HB1 LYS 90 18.445 -17.207 -17.207 700 1HG LYS 90 HG2 LYS 90 17.274 -18.347 -18.347 701 2HG LYS 90 HG1 LYS 90 18.736 -18.554 -18.554 702 1HD LYS 90 HD2 LYS 90 17.232 -17.473 -17.473 703 2HD LYS 90 HD1 LYS 90 18.252 -16.162 -16.162 704 1HE LYS 90 HE2 LYS 90 16.534 -15.617 -15.617 705 2HE LYS 90 HE1 LYS 90 15.505 -16.897 -16.897 706 1HZ LYS 90 HZ1 LYS 90 16.421 -15.073 -15.073 707 2HZ LYS 90 HZ3 LYS 90 15.499 -14.308 -14.308 708 3HZ LYS 90 HZ2 LYS 90 14.848 -15.615 -15.615 709 H GLY 91 HN GLY 91 21.793 -15.333 -15.333 710 1HA GLY 91 HA2 GLY 91 23.496 -15.295 -15.295 711 2HA GLY 91 HA1 GLY 91 22.062 -15.530 -15.530 712 H ALA 92 HN ALA 92 20.775 -13.753 -13.753 713 HA ALA 92 HA ALA 92 20.319 -11.457 -11.457 714 1HB ALA 92 HB3 ALA 92 19.948 -12.181 -12.181 715 2HB ALA 92 HB2 ALA 92 20.549 -10.525 -10.525 716 3HB ALA 92 HB1 ALA 92 19.080 -10.962 -10.962 717 H ASP 93 HN ASP 93 23.388 -12.332 -12.332 718 HA ASP 93 HA ASP 93 25.387 -11.145 -11.145 719 1HB ASP 93 HB2 ASP 93 24.679 -10.686 -10.686 720 2HB ASP 93 HB1 ASP 93 24.266 -9.075 -9.075 721 H LYS 94 HN LYS 94 24.576 -7.958 -7.958 722 HA LYS 94 HA LYS 94 23.190 -7.337 -7.337 723 1HB LYS 94 HB2 LYS 94 24.941 -6.231 -6.231 724 2HB LYS 94 HB1 LYS 94 25.493 -7.861 -7.861 725 1HG LYS 94 HG2 LYS 94 26.233 -5.509 -5.509 726 2HG LYS 94 HG1 LYS 94 27.171 -5.948 -5.948 727 1HD LYS 94 HD2 LYS 94 28.210 -7.616 -7.616 728 2HD LYS 94 HD1 LYS 94 26.674 -8.327 -8.327 729 1HE LYS 94 HE2 LYS 94 26.582 -7.031 -7.031 730 2HE LYS 94 HE1 LYS 94 27.841 -5.929 -5.929 731 1HZ LYS 94 HZ3 LYS 94 28.621 -8.712 -8.712 732 2HZ LYS 94 HZ2 LYS 94 28.275 -8.007 -8.007 733 3HZ LYS 94 HZ1 LYS 94 29.458 -7.322 -7.322 734 H THR 95 HN THR 95 25.016 -6.418 -6.418 735 HA THR 95 HA THR 95 23.367 -3.969 -3.969 736 HB THR 95 HB THR 95 26.264 -4.033 -4.033 737 HG1 THR 95 HG1 THR 95 25.422 -4.028 -4.028 738 1HG2 THR 95 HG23 THR 95 24.357 -2.326 -2.326 739 2HG2 THR 95 HG22 THR 95 24.743 -1.617 -1.617 740 3HG2 THR 95 HG21 THR 95 25.994 -1.762 -1.762 741 H VAL 96 HN VAL 96 22.839 -6.449 -6.449 742 HA VAL 96 HA VAL 96 24.039 -6.892 -6.892 743 HB VAL 96 HB VAL 96 22.359 -8.304 -8.304 744 1HG1 VAL 96 HG12 VAL 96 20.383 -7.515 -7.515 745 2HG1 VAL 96 HG11 VAL 96 21.066 -8.221 -8.221 746 3HG1 VAL 96 HG13 VAL 96 20.613 -9.257 -9.257 747 1HG2 VAL 96 HG23 VAL 96 24.327 -9.153 -9.153 748 2HG2 VAL 96 HG22 VAL 96 22.932 -10.235 -10.235 749 3HG2 VAL 96 HG21 VAL 96 23.299 -9.224 -9.224 750 H LYS 97 HN LYS 97 21.779 -4.563 -4.563 751 HA LYS 97 HA LYS 97 21.241 -3.924 -3.924 752 1HB LYS 97 HB2 LYS 97 19.426 -5.644 -5.644 753 2HB LYS 97 HB1 LYS 97 18.609 -4.096 -4.096 754 1HG LYS 97 HG2 LYS 97 19.117 -4.124 -4.124 755 2HG LYS 97 HG1 LYS 97 20.021 -5.623 -5.623 756 1HD LYS 97 HD2 LYS 97 17.991 -6.798 -6.798 757 2HD LYS 97 HD1 LYS 97 17.066 -5.297 -5.297 758 1HE LYS 97 HE2 LYS 97 17.285 -7.099 -7.099 759 2HE LYS 97 HE1 LYS 97 16.916 -5.390 -5.390 760 1HZ LYS 97 HZ2 LYS 97 19.273 -4.945 -4.945 761 2HZ LYS 97 HZ1 LYS 97 19.632 -6.594 -6.594 762 3HZ LYS 97 HZ3 LYS 97 18.740 -6.080 -6.080 763 H GLY 98 HN GLY 98 21.589 -2.858 -2.858 764 1HA GLY 98 HA2 GLY 98 19.777 -0.587 -0.587 765 2HA GLY 98 HA1 GLY 98 21.093 -0.772 -0.772 766 HA PRO 99 HA PRO 99 21.829 2.646 2.646 767 1HB PRO 99 HB2 PRO 99 22.989 3.663 3.663 768 2HB PRO 99 HB1 PRO 99 22.127 4.567 4.567 769 1HG PRO 99 HG2 PRO 99 20.932 3.834 3.834 770 2HG PRO 99 HG1 PRO 99 20.031 3.952 3.952 771 1HD PRO 99 HD2 PRO 99 20.771 1.526 1.526 772 2HD PRO 99 HD1 PRO 99 19.548 1.723 1.723 773 H ASP 100 HN ASP 100 24.073 2.226 2.226 774 HA ASP 100 HA ASP 100 25.982 0.755 0.755 775 1HB ASP 100 HB2 ASP 100 26.267 3.205 3.205 776 2HB ASP 100 HB1 ASP 100 26.739 3.500 3.500 777 H GLY 101 HN GLY 101 27.986 2.128 2.128 778 1HA GLY 101 HA2 GLY 101 28.106 0.091 0.091 779 2HA GLY 101 HA1 GLY 101 28.819 1.689 1.689 780 H LEU 102 HN LEU 102 25.602 2.303 2.303 781 HA LEU 102 HA LEU 102 25.047 3.215 3.215 782 1HB LEU 102 HB2 LEU 102 23.577 3.649 3.649 783 2HB LEU 102 HB1 LEU 102 22.880 2.050 2.050 784 HG LEU 102 HG LEU 102 23.002 4.152 4.152 785 1HD1 LEU 102 HD12 LEU 102 21.672 4.907 4.907 786 2HD1 LEU 102 HD11 LEU 102 20.561 3.582 3.582 787 3HD1 LEU 102 HD13 LEU 102 20.794 4.869 4.869 788 1HD2 LEU 102 HD22 LEU 102 21.781 1.438 1.438 789 2HD2 LEU 102 HD21 LEU 102 22.529 2.266 2.266 790 3HD2 LEU 102 HD23 LEU 102 20.882 2.670 2.670 791 H THR 103 HN THR 103 23.387 0.339 0.339 792 HA THR 103 HA THR 103 22.338 -1.264 -1.264 793 HB THR 103 HB THR 103 24.157 -2.565 -2.565 794 HG1 THR 103 HG1 THR 103 25.106 -2.636 -2.636 795 1HG2 THR 103 HG21 THR 103 25.913 -0.678 -0.678 796 2HG2 THR 103 HG23 THR 103 26.506 -2.096 -2.096 797 3HG2 THR 103 HG22 THR 103 25.779 -0.752 -0.752 798 H ALA 104 HN ALA 104 24.859 -1.387 -1.387 799 HA ALA 104 HA ALA 104 23.168 -0.199 -0.199 800 1HB ALA 104 HB3 ALA 104 25.669 -1.818 -1.818 801 2HB ALA 104 HB2 ALA 104 25.089 -1.129 -1.129 802 3HB ALA 104 HB1 ALA 104 24.086 -2.275 -2.275 803 H LEU 105 HN LEU 105 26.177 0.574 0.574 804 HA LEU 105 HA LEU 105 27.339 2.349 2.349 805 1HB LEU 105 HB2 LEU 105 27.328 2.829 2.829 806 2HB LEU 105 HB1 LEU 105 28.573 3.238 3.238 807 HG LEU 105 HG LEU 105 27.751 0.463 0.463 808 1HD1 LEU 105 HD12 LEU 105 29.211 1.965 1.965 809 2HD1 LEU 105 HD11 LEU 105 30.437 1.817 1.817 810 3HD1 LEU 105 HD13 LEU 105 29.857 0.377 0.377 811 1HD2 LEU 105 HD22 LEU 105 29.565 1.518 1.518 812 2HD2 LEU 105 HD21 LEU 105 28.328 0.265 0.265 813 3HD2 LEU 105 HD23 LEU 105 29.842 -0.068 -0.068 814 H GLU 106 HN GLU 106 25.592 3.616 3.616 815 HA GLU 106 HA GLU 106 25.343 6.116 6.116 816 1HB GLU 106 HB2 GLU 106 25.545 6.744 6.744 817 2HB GLU 106 HB1 GLU 106 25.010 5.188 5.188 818 1HG GLU 106 HG2 GLU 106 23.411 6.686 6.686 819 2HG GLU 106 HG1 GLU 106 22.607 6.035 6.035 820 H ALA 107 HN ALA 107 23.740 3.348 3.348 821 HA ALA 107 HA ALA 107 21.009 4.321 4.321 822 1HB ALA 107 HB3 ALA 107 22.365 1.872 1.872 823 2HB ALA 107 HB2 ALA 107 20.696 2.222 2.222 824 3HB ALA 107 HB1 ALA 107 21.144 1.995 1.995 825 H THR 108 HN THR 108 23.381 3.720 3.720 826 HA THR 108 HA THR 108 21.961 5.777 5.777 827 HB THR 108 HB THR 108 20.715 3.634 3.634 828 HG1 THR 108 HG1 THR 108 20.408 4.442 4.442 829 1HG2 THR 108 HG23 THR 108 22.996 2.356 2.356 830 2HG2 THR 108 HG22 THR 108 23.126 2.605 2.605 831 3HG2 THR 108 HG21 THR 108 21.766 1.708 1.708 832 H ASP 109 HN ASP 109 22.843 4.618 4.618 833 HA ASP 109 HA ASP 109 25.779 4.667 4.667 834 1HB ASP 109 HB2 ASP 109 24.898 7.038 7.038 835 2HB ASP 109 HB1 ASP 109 24.241 6.512 6.512 836 H ASN 110 HN ASN 110 22.931 3.321 3.321 837 HA ASN 110 HA ASN 110 23.991 2.689 2.689 838 1HB ASN 110 HB2 ASN 110 22.042 1.253 1.253 839 2HB ASN 110 HB1 ASN 110 21.497 2.762 2.762 840 1HD2 ASN 110 HD21 ASN 110 22.978 1.557 1.557 841 2HD2 ASN 110 HD22 ASN 110 21.771 0.578 0.578 842 H GLN 111 HN GLN 111 25.030 0.752 0.752 843 HA GLN 111 HA GLN 111 26.538 -0.329 -0.329 844 1HB GLN 111 HB2 GLN 111 27.705 0.038 0.038 845 2HB GLN 111 HB1 GLN 111 26.475 -0.730 -0.730 846 1HG GLN 111 HG2 GLN 111 27.159 -2.900 -2.900 847 2HG GLN 111 HG1 GLN 111 28.045 -2.311 -2.311 848 1HE2 GLN 111 HE21 GLN 111 30.134 -1.067 -1.067 849 2HE2 GLN 111 HE22 GLN 111 30.951 -1.387 -1.387 850 H ALA 112 HN ALA 112 23.461 -1.211 -1.211 851 HA ALA 112 HA ALA 112 23.878 -4.129 -4.129 852 1HB ALA 112 HB3 ALA 112 21.905 -3.243 -3.243 853 2HB ALA 112 HB2 ALA 112 21.318 -2.524 -2.524 854 3HB ALA 112 HB1 ALA 112 21.415 -4.276 -4.276 855 H ILE 113 HN ILE 113 22.643 -1.584 -1.584 856 HA ILE 113 HA ILE 113 22.174 -3.065 -3.065 857 HB ILE 113 HB ILE 113 22.680 -0.224 -0.224 858 1HG1 ILE 113 HG12 ILE 113 20.490 0.033 0.033 859 2HG1 ILE 113 HG11 ILE 113 20.392 -1.721 -1.721 860 1HG2 ILE 113 HG22 ILE 113 22.856 -1.236 -1.236 861 2HG2 ILE 113 HG21 ILE 113 22.281 0.399 0.399 862 3HG2 ILE 113 HG23 ILE 113 23.898 -0.089 -0.089 863 1HD1 ILE 113 HD13 ILE 113 20.892 -1.109 -1.109 864 2HD1 ILE 113 HD12 ILE 113 20.045 0.353 0.353 865 3HD1 ILE 113 HD11 ILE 113 19.263 -1.215 -1.215 866 H LYS 114 HN LYS 114 24.783 -1.068 -1.068 867 HA LYS 114 HA LYS 114 26.516 -1.419 -1.419 868 1HB LYS 114 HB2 LYS 114 27.301 -1.087 -1.087 869 2HB LYS 114 HB1 LYS 114 28.240 -0.604 -0.604 870 1HG LYS 114 HG2 LYS 114 25.473 0.517 0.517 871 2HG LYS 114 HG1 LYS 114 26.952 1.298 1.298 872 1HD LYS 114 HD2 LYS 114 27.679 1.319 1.319 873 2HD LYS 114 HD1 LYS 114 26.024 0.848 0.848 874 1HE LYS 114 HE2 LYS 114 25.181 2.840 2.840 875 2HE LYS 114 HE1 LYS 114 26.837 3.303 3.303 876 1HZ LYS 114 HZ3 LYS 114 27.226 3.252 3.252 877 2HZ LYS 114 HZ2 LYS 114 25.540 3.177 3.177 878 3HZ LYS 114 HZ1 LYS 114 26.257 4.521 4.521 879 H ALA 115 HN ALA 115 25.361 -3.660 -3.660 880 HA ALA 115 HA ALA 115 27.629 -5.394 -5.394 881 1HB ALA 115 HB3 ALA 115 25.464 -5.493 -5.493 882 2HB ALA 115 HB2 ALA 115 24.772 -6.359 -6.359 883 3HB ALA 115 HB1 ALA 115 26.163 -7.021 -7.021 884 H LEU 116 HN LEU 116 24.961 -5.029 -5.029 885 HA LEU 116 HA LEU 116 25.777 -7.365 -7.365 886 1HB LEU 116 HB2 LEU 116 23.786 -5.202 -5.202 887 2HB LEU 116 HB1 LEU 116 24.498 -5.816 -5.816 888 HG LEU 116 HG LEU 116 23.053 -7.435 -7.435 889 1HD1 LEU 116 HD11 LEU 116 22.463 -6.725 -6.725 890 2HD1 LEU 116 HD13 LEU 116 21.543 -7.910 -7.910 891 3HD1 LEU 116 HD12 LEU 116 21.548 -6.218 -6.218 892 1HD2 LEU 116 HD21 LEU 116 24.941 -8.254 -8.254 893 2HD2 LEU 116 HD23 LEU 116 24.451 -9.121 -9.121 894 3HD2 LEU 116 HD22 LEU 116 23.417 -9.140 -9.140 895 H LEU 117 HN LEU 117 26.984 -4.143 -4.143 896 HA LEU 117 HA LEU 117 28.258 -4.243 -4.243 897 1HB LEU 117 HB2 LEU 117 28.696 -2.037 -2.037 898 2HB LEU 117 HB1 LEU 117 27.631 -2.227 -2.227 899 HG LEU 117 HG LEU 117 29.746 -2.927 -2.927 900 1HD1 LEU 117 HD11 LEU 117 30.948 -2.491 -2.491 901 2HD1 LEU 117 HD13 LEU 117 31.551 -1.236 -1.236 902 3HD1 LEU 117 HD12 LEU 117 31.740 -2.938 -2.938 903 1HD2 LEU 117 HD23 LEU 117 28.430 -0.604 -0.604 904 2HD2 LEU 117 HD22 LEU 117 29.942 -0.768 -0.768 905 3HD2 LEU 117 HD21 LEU 117 29.942 -0.038 -0.038 906 H GLN 118 HN GLN 118 28.676 -5.910 -5.910 907 HA GLN 118 HA GLN 118 31.477 -5.928 -5.928 908 1HB GLN 118 HB2 GLN 118 31.113 -7.916 -7.916 909 2HB GLN 118 HB1 GLN 118 29.624 -7.005 -7.005 910 1HG GLN 118 HG2 GLN 118 28.769 -9.091 -9.091 911 2HG GLN 118 HG1 GLN 118 28.915 -8.393 -8.393 912 1HE2 GLN 118 HE21 GLN 118 31.224 -9.985 -9.985 913 2HE2 GLN 118 HE22 GLN 118 31.854 -11.059 -11.059 Start of MODEL 18 1 1H MET 1 HT2 MET 1 -11.072 -7.698 -7.698 2 2H MET 1 HT1 MET 1 -11.689 -6.114 -6.114 3 3H MET 1 HT3 MET 1 -10.096 -6.409 -6.409 4 HA MET 1 HA MET 1 -11.331 -6.112 -6.112 5 1HB MET 1 HB2 MET 1 -13.542 -6.434 -6.434 6 2HB MET 1 HB1 MET 1 -13.259 -8.174 -8.174 7 1HG MET 1 HG2 MET 1 -13.202 -8.179 -8.179 8 2HG MET 1 HG1 MET 1 -13.268 -6.416 -6.416 9 1HE MET 1 HE2 MET 1 -15.102 -7.617 -7.617 10 2HE MET 1 HE1 MET 1 -15.361 -5.931 -5.931 11 3HE MET 1 HE3 MET 1 -16.724 -7.058 -7.058 12 H CYS 2 HN CYS 2 -11.621 -9.428 -9.428 13 HA CYS 2 HA CYS 2 -10.751 -10.772 -10.772 14 1HB CYS 2 HB2 CYS 2 -10.179 -12.648 -12.648 15 2HB CYS 2 HB1 CYS 2 -11.770 -11.966 -11.966 16 HG CYS 2 HG CYS 2 -9.937 -12.230 -12.230 17 H ASP 3 HN ASP 3 -8.924 -9.245 -9.245 18 HA ASP 3 HA ASP 3 -6.367 -10.283 -10.283 19 1HB ASP 3 HB2 ASP 3 -5.643 -7.806 -7.806 20 2HB ASP 3 HB1 ASP 3 -6.552 -8.687 -8.687 21 H LYS 4 HN LYS 4 -7.882 -7.661 -7.661 22 HA LYS 4 HA LYS 4 -5.864 -6.869 -6.869 23 1HB LYS 4 HB2 LYS 4 -8.770 -7.384 -7.384 24 2HB LYS 4 HB1 LYS 4 -7.660 -6.502 -6.502 25 1HG LYS 4 HG2 LYS 4 -7.224 -4.889 -4.889 26 2HG LYS 4 HG1 LYS 4 -8.364 -5.758 -5.758 27 1HD LYS 4 HD2 LYS 4 -10.146 -5.341 -5.341 28 2HD LYS 4 HD1 LYS 4 -8.997 -4.364 -4.364 29 1HE LYS 4 HE2 LYS 4 -10.206 -3.809 -3.809 30 2HE LYS 4 HE1 LYS 4 -10.143 -2.763 -2.763 31 1HZ LYS 4 HZ2 LYS 4 -7.589 -2.995 -2.995 32 2HZ LYS 4 HZ1 LYS 4 -8.048 -3.362 -3.362 33 3HZ LYS 4 HZ3 LYS 4 -8.490 -1.876 -1.876 34 H GLU 5 HN GLU 5 -8.207 -9.305 -9.305 35 HA GLU 5 HA GLU 5 -6.791 -10.219 -10.219 36 1HB GLU 5 HB2 GLU 5 -9.080 -10.985 -10.985 37 2HB GLU 5 HB1 GLU 5 -8.211 -12.128 -12.128 38 1HG GLU 5 HG2 GLU 5 -7.178 -13.162 -13.162 39 2HG GLU 5 HG1 GLU 5 -7.879 -11.945 -11.945 40 H PHE 6 HN PHE 6 -6.319 -11.276 -11.276 41 HA PHE 6 HA PHE 6 -4.400 -13.313 -13.313 42 1HB PHE 6 HB2 PHE 6 -5.371 -13.330 -13.330 43 2HB PHE 6 HB1 PHE 6 -5.008 -11.631 -11.631 44 HD1 PHE 6 HD2 PHE 6 -2.734 -14.341 -14.341 45 HD2 PHE 6 HD1 PHE 6 -3.668 -11.623 -11.623 46 HE1 PHE 6 HE2 PHE 6 -0.624 -14.962 -14.962 47 HE2 PHE 6 HE1 PHE 6 -1.564 -12.249 -12.249 48 HZ PHE 6 HZ PHE 6 -0.042 -13.917 -13.917 49 H MET 7 HN MET 7 -3.632 -10.078 -10.078 50 HA MET 7 HA MET 7 -0.860 -10.291 -10.291 51 1HB MET 7 HB2 MET 7 -0.626 -8.140 -8.140 52 2HB MET 7 HB1 MET 7 -2.196 -8.527 -8.527 53 1HG MET 7 HG2 MET 7 -3.202 -7.503 -7.503 54 2HG MET 7 HG1 MET 7 -1.590 -6.846 -6.846 55 1HE MET 7 HE2 MET 7 -4.301 -7.497 -7.497 56 2HE MET 7 HE1 MET 7 -4.730 -5.958 -5.958 57 3HE MET 7 HE3 MET 7 -3.519 -7.006 -7.006 58 H TRP 8 HN TRP 8 -3.558 -9.021 -9.021 59 HA TRP 8 HA TRP 8 -2.139 -7.790 -7.790 60 1HB TRP 8 HB2 TRP 8 -4.697 -8.084 -8.084 61 2HB TRP 8 HB1 TRP 8 -4.471 -9.620 -9.620 62 HD1 TRP 8 HD1 TRP 8 -4.448 -9.524 -9.524 63 HE1 TRP 8 HE1 TRP 8 -4.213 -7.659 -7.659 64 HE3 TRP 8 HE3 TRP 8 -3.452 -5.548 -5.548 65 HZ2 TRP 8 HZ2 TRP 8 -3.672 -4.850 -4.850 66 HZ3 TRP 8 HZ3 TRP 8 -3.081 -3.293 -3.293 67 HH2 TRP 8 HH2 TRP 8 -3.189 -2.938 -2.938 68 H ALA 9 HN ALA 9 -1.814 -10.982 -10.982 69 HA ALA 9 HA ALA 9 -1.143 -12.126 -12.126 70 1HB ALA 9 HB3 ALA 9 -0.832 -13.172 -13.172 71 2HB ALA 9 HB2 ALA 9 -0.423 -14.098 -14.098 72 3HB ALA 9 HB1 ALA 9 -2.091 -13.603 -13.603 73 H LEU 10 HN LEU 10 0.668 -11.227 -11.227 74 HA LEU 10 HA LEU 10 3.277 -11.831 -11.831 75 1HB LEU 10 HB2 LEU 10 2.571 -9.177 -9.177 76 2HB LEU 10 HB1 LEU 10 4.066 -10.079 -10.079 77 HG LEU 10 HG LEU 10 1.718 -11.612 -11.612 78 1HD1 LEU 10 HD13 LEU 10 1.065 -9.225 -9.225 79 2HD1 LEU 10 HD12 LEU 10 2.520 -9.173 -9.173 80 3HD1 LEU 10 HD11 LEU 10 1.239 -10.326 -10.326 81 1HD2 LEU 10 HD22 LEU 10 4.203 -12.078 -12.078 82 2HD2 LEU 10 HD21 LEU 10 3.172 -12.146 -12.146 83 3HD2 LEU 10 HD23 LEU 10 4.174 -10.725 -10.725 84 H LYS 11 HN LYS 11 1.066 -9.538 -9.538 85 HA LYS 11 HA LYS 11 3.026 -7.812 -7.812 86 1HB LYS 11 HB2 LYS 11 1.105 -6.786 -6.786 87 2HB LYS 11 HB1 LYS 11 0.029 -7.964 -7.964 88 1HG LYS 11 HG2 LYS 11 -0.004 -5.730 -5.730 89 2HG LYS 11 HG1 LYS 11 0.397 -7.060 -7.060 90 1HD LYS 11 HD2 LYS 11 2.803 -6.502 -6.502 91 2HD LYS 11 HD1 LYS 11 2.383 -5.163 -5.163 92 1HE LYS 11 HE2 LYS 11 1.289 -3.973 -3.973 93 2HE LYS 11 HE1 LYS 11 1.215 -5.402 -5.402 94 1HZ LYS 11 HZ2 LYS 11 3.684 -5.363 -5.363 95 2HZ LYS 11 HZ1 LYS 11 3.632 -3.864 -3.864 96 3HZ LYS 11 HZ3 LYS 11 2.966 -4.021 -4.021 97 H ASN 12 HN ASN 12 0.133 -9.369 -9.369 98 HA ASN 12 HA ASN 12 1.330 -9.192 -9.192 99 1HB ASN 12 HB2 ASN 12 -1.249 -9.441 -9.441 100 2HB ASN 12 HB1 ASN 12 -0.967 -10.998 -10.998 101 1HD2 ASN 12 HD21 ASN 12 -0.713 -7.458 -7.458 102 2HD2 ASN 12 HD22 ASN 12 -0.985 -7.586 -7.586 103 H GLY 13 HN GLY 13 2.756 -10.874 -10.874 104 1HA GLY 13 HA2 GLY 13 3.972 -12.866 -12.866 105 2HA GLY 13 HA1 GLY 13 3.657 -12.878 -12.878 106 H ASP 14 HN ASP 14 0.865 -12.867 -12.867 107 HA ASP 14 HA ASP 14 0.036 -15.452 -15.452 108 1HB ASP 14 HB2 ASP 14 -1.228 -14.278 -14.278 109 2HB ASP 14 HB1 ASP 14 -1.960 -15.029 -15.029 110 H LEU 15 HN LEU 15 2.385 -15.814 -15.814 111 HA LEU 15 HA LEU 15 2.977 -16.360 -16.360 112 1HB LEU 15 HB2 LEU 15 4.525 -16.498 -16.498 113 2HB LEU 15 HB1 LEU 15 3.704 -17.933 -17.933 114 HG LEU 15 HG LEU 15 5.856 -18.291 -18.291 115 1HD1 LEU 15 HD11 LEU 15 3.517 -19.824 -19.824 116 2HD1 LEU 15 HD13 LEU 15 4.001 -19.894 -19.894 117 3HD1 LEU 15 HD12 LEU 15 5.129 -20.392 -20.392 118 1HD2 LEU 15 HD23 LEU 15 5.151 -16.572 -16.572 119 2HD2 LEU 15 HD22 LEU 15 5.869 -18.068 -18.068 120 3HD2 LEU 15 HD21 LEU 15 4.122 -17.839 -17.839 121 H ASP 16 HN ASP 16 0.846 -18.166 -18.166 122 HA ASP 16 HA ASP 16 0.707 -20.580 -20.580 123 1HB ASP 16 HB2 ASP 16 -1.449 -19.277 -19.277 124 2HB ASP 16 HB1 ASP 16 -1.326 -20.982 -20.982 125 H GLU 17 HN GLU 17 -0.816 -17.435 -17.435 126 HA GLU 17 HA GLU 17 -2.853 -18.358 -18.358 127 1HB GLU 17 HB2 GLU 17 -2.030 -15.757 -15.757 128 2HB GLU 17 HB1 GLU 17 -2.886 -15.693 -15.693 129 1HG GLU 17 HG2 GLU 17 -4.440 -15.577 -15.577 130 2HG GLU 17 HG1 GLU 17 -4.736 -17.001 -17.001 131 H VAL 18 HN VAL 18 0.176 -16.458 -16.458 132 HA VAL 18 HA VAL 18 -0.016 -16.180 -16.180 133 HB VAL 18 HB VAL 18 2.706 -16.265 -16.265 134 1HG1 VAL 18 HG13 VAL 18 1.310 -14.376 -14.376 135 2HG1 VAL 18 HG12 VAL 18 1.030 -13.842 -13.842 136 3HG1 VAL 18 HG11 VAL 18 2.669 -13.882 -13.882 137 1HG2 VAL 18 HG21 VAL 18 1.947 -16.742 -16.742 138 2HG2 VAL 18 HG23 VAL 18 3.229 -15.569 -15.569 139 3HG2 VAL 18 HG22 VAL 18 1.587 -15.013 -15.013 140 H LYS 19 HN LYS 19 1.110 -18.645 -18.645 141 HA LYS 19 HA LYS 19 2.544 -20.292 -20.292 142 1HB LYS 19 HB2 LYS 19 2.711 -20.432 -20.432 143 2HB LYS 19 HB1 LYS 19 1.030 -20.955 -20.955 144 1HG LYS 19 HG2 LYS 19 1.493 -23.048 -23.048 145 2HG LYS 19 HG1 LYS 19 2.983 -22.497 -22.497 146 1HD LYS 19 HD2 LYS 19 2.722 -22.457 -22.457 147 2HD LYS 19 HD1 LYS 19 3.146 -23.953 -23.953 148 1HE LYS 19 HE2 LYS 19 4.701 -21.610 -21.610 149 2HE LYS 19 HE1 LYS 19 4.961 -22.040 -22.040 150 1HZ LYS 19 HZ2 LYS 19 4.934 -24.159 -24.159 151 2HZ LYS 19 HZ1 LYS 19 6.326 -23.196 -23.196 152 3HZ LYS 19 HZ3 LYS 19 5.755 -24.097 -24.097 153 H ASP 20 HN ASP 20 -0.846 -19.953 -19.953 154 HA ASP 20 HA ASP 20 -1.697 -22.445 -22.445 155 1HB ASP 20 HB2 ASP 20 -3.082 -21.062 -21.062 156 2HB ASP 20 HB1 ASP 20 -3.246 -19.855 -19.855 157 H TYR 21 HN TYR 21 -1.663 -19.126 -19.126 158 HA TYR 21 HA TYR 21 -2.560 -19.900 -19.900 159 1HB TYR 21 HB2 TYR 21 -0.927 -17.522 -17.522 160 2HB TYR 21 HB1 TYR 21 -1.556 -17.697 -17.697 161 HD1 TYR 21 HD2 TYR 21 -3.975 -17.639 -17.639 162 HD2 TYR 21 HD1 TYR 21 -2.414 -17.072 -17.072 163 HE1 TYR 21 HE2 TYR 21 -6.165 -16.736 -16.736 164 HE2 TYR 21 HE1 TYR 21 -4.605 -16.167 -16.167 165 HH TYR 21 HH TYR 21 -7.344 -15.915 -15.915 166 H VAL 22 HN VAL 22 0.716 -19.385 -19.385 167 HA VAL 22 HA VAL 22 2.060 -20.094 -20.094 168 HB VAL 22 HB VAL 22 2.966 -19.901 -19.901 169 1HG1 VAL 22 HG12 VAL 22 4.561 -20.492 -20.492 170 2HG1 VAL 22 HG11 VAL 22 5.286 -19.854 -19.854 171 3HG1 VAL 22 HG13 VAL 22 4.500 -21.430 -21.430 172 1HG2 VAL 22 HG21 VAL 22 2.207 -17.857 -17.857 173 2HG2 VAL 22 HG23 VAL 22 3.862 -17.782 -17.782 174 3HG2 VAL 22 HG22 VAL 22 3.560 -18.138 -18.138 175 H ALA 23 HN ALA 23 0.930 -21.923 -21.923 176 HA ALA 23 HA ALA 23 2.408 -24.303 -24.303 177 1HB ALA 23 HB3 ALA 23 -0.360 -23.665 -23.665 178 2HB ALA 23 HB2 ALA 23 0.100 -25.354 -25.354 179 3HB ALA 23 HB1 ALA 23 1.006 -24.325 -24.325 180 H LYS 24 HN LYS 24 -0.011 -22.817 -22.817 181 HA LYS 24 HA LYS 24 -1.046 -24.976 -24.976 182 1HB LYS 24 HB2 LYS 24 -1.843 -22.603 -22.603 183 2HB LYS 24 HB1 LYS 24 -0.432 -22.203 -22.203 184 1HG LYS 24 HG2 LYS 24 -1.114 -23.810 -23.810 185 2HG LYS 24 HG1 LYS 24 -2.483 -24.314 -24.314 186 1HD LYS 24 HD2 LYS 24 -2.049 -21.539 -21.539 187 2HD LYS 24 HD1 LYS 24 -3.177 -22.732 -22.732 188 1HE LYS 24 HE2 LYS 24 -4.043 -22.731 -22.731 189 2HE LYS 24 HE1 LYS 24 -3.352 -21.105 -21.105 190 1HZ LYS 24 HZ2 LYS 24 -4.769 -21.466 -21.466 191 2HZ LYS 24 HZ1 LYS 24 -5.775 -21.984 -21.984 192 3HZ LYS 24 HZ3 LYS 24 -5.131 -20.415 -20.415 193 H GLY 25 HN GLY 25 1.119 -22.721 -22.721 194 1HA GLY 25 HA2 GLY 25 2.985 -24.904 -24.904 195 2HA GLY 25 HA1 GLY 25 2.060 -24.293 -24.293 196 H GLU 26 HN GLU 26 4.381 -23.399 -23.399 197 HA GLU 26 HA GLU 26 5.736 -21.445 -21.445 198 1HB GLU 26 HB2 GLU 26 7.380 -21.501 -21.501 199 2HB GLU 26 HB1 GLU 26 7.224 -22.974 -22.974 200 1HG GLU 26 HG2 GLU 26 5.730 -23.950 -23.950 201 2HG GLU 26 HG1 GLU 26 5.713 -22.449 -22.449 202 H ASP 27 HN ASP 27 3.697 -20.015 -20.015 203 HA ASP 27 HA ASP 27 3.987 -18.432 -18.432 204 1HB ASP 27 HB2 ASP 27 1.693 -18.849 -18.849 205 2HB ASP 27 HB1 ASP 27 1.710 -17.489 -17.489 206 H VAL 28 HN VAL 28 5.829 -18.201 -18.201 207 HA VAL 28 HA VAL 28 5.067 -15.941 -15.941 208 HB VAL 28 HB VAL 28 7.411 -16.130 -16.130 209 1HG1 VAL 28 HG11 VAL 28 5.649 -18.579 -18.579 210 2HG1 VAL 28 HG13 VAL 28 7.058 -18.537 -18.537 211 3HG1 VAL 28 HG12 VAL 28 5.711 -17.428 -17.428 212 1HG2 VAL 28 HG23 VAL 28 8.129 -17.036 -17.036 213 2HG2 VAL 28 HG22 VAL 28 8.942 -17.625 -17.625 214 3HG2 VAL 28 HG21 VAL 28 7.683 -18.600 -18.600 215 H ASN 29 HN ASN 29 4.539 -14.892 -14.892 216 HA ASN 29 HA ASN 29 6.422 -12.736 -12.736 217 1HB ASN 29 HB2 ASN 29 5.676 -14.483 -14.483 218 2HB ASN 29 HB1 ASN 29 6.816 -13.146 -13.146 219 1HD2 ASN 29 HD21 ASN 29 6.331 -16.423 -16.423 220 2HD2 ASN 29 HD22 ASN 29 7.983 -16.789 -16.789 221 H ARG 30 HN ARG 30 3.966 -12.708 -12.708 222 HA ARG 30 HA ARG 30 2.016 -12.039 -12.039 223 1HB ARG 30 HB2 ARG 30 1.616 -12.636 -12.636 224 2HB ARG 30 HB1 ARG 30 0.322 -12.266 -12.266 225 1HG ARG 30 HG2 ARG 30 2.233 -14.463 -14.463 226 2HG ARG 30 HG1 ARG 30 1.016 -14.781 -14.781 227 1HD ARG 30 HD2 ARG 30 0.196 -13.529 -13.529 228 2HD ARG 30 HD1 ARG 30 0.444 -15.273 -15.273 229 HE ARG 30 HE ARG 30 -1.212 -14.702 -14.702 230 1HH1 ARG 30 HH21 ARG 30 -1.237 -14.187 -14.187 231 2HH1 ARG 30 HH22 ARG 30 -2.967 -14.179 -14.179 232 1HH2 ARG 30 HH11 ARG 30 -3.467 -14.701 -14.701 233 2HH2 ARG 30 HH12 ARG 30 -4.227 -14.474 -14.474 234 H THR 31 HN THR 31 2.038 -9.934 -9.934 235 HA THR 31 HA THR 31 2.872 -7.833 -7.833 236 HB THR 31 HB THR 31 0.998 -7.642 -7.642 237 HG1 THR 31 HG1 THR 31 3.231 -8.680 -8.680 238 1HG2 THR 31 HG23 THR 31 2.861 -5.649 -5.649 239 2HG2 THR 31 HG22 THR 31 1.970 -5.360 -5.360 240 3HG2 THR 31 HG21 THR 31 1.099 -5.601 -5.601 241 H LEU 32 HN LEU 32 1.543 -8.594 -8.594 242 HA LEU 32 HA LEU 32 -1.321 -8.495 -8.495 243 1HB LEU 32 HB2 LEU 32 -1.381 -8.658 -8.658 244 2HB LEU 32 HB1 LEU 32 -0.102 -9.707 -9.707 245 HG LEU 32 HG LEU 32 0.716 -8.592 -8.592 246 1HD1 LEU 32 HD11 LEU 32 2.240 -8.789 -8.789 247 2HD1 LEU 32 HD13 LEU 32 1.940 -7.076 -7.076 248 3HD1 LEU 32 HD12 LEU 32 2.707 -7.584 -7.584 249 1HD2 LEU 32 HD21 LEU 32 -0.988 -6.544 -6.544 250 2HD2 LEU 32 HD23 LEU 32 0.337 -6.432 -6.432 251 3HD2 LEU 32 HD22 LEU 32 0.547 -5.818 -5.818 252 H GLU 33 HN GLU 33 1.072 -6.040 -6.040 253 HA GLU 33 HA GLU 33 -0.813 -4.024 -4.024 254 1HB GLU 33 HB2 GLU 33 1.634 -3.938 -3.938 255 2HB GLU 33 HB1 GLU 33 1.950 -3.647 -3.647 256 1HG GLU 33 HG2 GLU 33 1.912 -1.501 -1.501 257 2HG GLU 33 HG1 GLU 33 0.428 -1.631 -1.631 258 H GLY 34 HN GLY 34 1.254 -3.419 -3.419 259 1HA GLY 34 HA2 GLY 34 -0.864 -3.542 -3.542 260 2HA GLY 34 HA1 GLY 34 -0.481 -1.886 -1.886 261 H GLY 35 HN GLY 35 2.300 -2.795 -2.795 262 1HA GLY 35 HA2 GLY 35 3.479 -3.604 -3.604 263 2HA GLY 35 HA1 GLY 35 3.733 -1.897 -1.897 264 H ARG 36 HN ARG 36 3.474 -4.211 -4.211 265 HA ARG 36 HA ARG 36 6.431 -4.051 -4.051 266 1HB ARG 36 HB2 ARG 36 4.417 -4.291 -4.291 267 2HB ARG 36 HB1 ARG 36 6.093 -3.752 -3.752 268 1HG ARG 36 HG2 ARG 36 5.455 -1.750 -1.750 269 2HG ARG 36 HG1 ARG 36 3.772 -2.263 -2.263 270 1HD ARG 36 HD2 ARG 36 4.191 -0.628 -0.628 271 2HD ARG 36 HD1 ARG 36 3.998 -2.210 -2.210 272 HE ARG 36 HE ARG 36 6.725 -2.027 -2.027 273 1HH1 ARG 36 HH21 ARG 36 4.293 -0.015 -0.015 274 2HH1 ARG 36 HH22 ARG 36 5.352 0.658 0.658 275 1HH2 ARG 36 HH11 ARG 36 8.115 -1.162 -1.162 276 2HH2 ARG 36 HH12 ARG 36 7.512 0.007 0.007 277 H LYS 37 HN LYS 37 6.458 -5.868 -5.868 278 HA LYS 37 HA LYS 37 5.322 -8.386 -8.386 279 1HB LYS 37 HB2 LYS 37 7.392 -9.438 -9.438 280 2HB LYS 37 HB1 LYS 37 7.825 -7.794 -7.794 281 1HG LYS 37 HG2 LYS 37 8.145 -9.067 -9.067 282 2HG LYS 37 HG1 LYS 37 9.435 -8.658 -8.658 283 1HD LYS 37 HD2 LYS 37 7.558 -6.596 -6.596 284 2HD LYS 37 HD1 LYS 37 9.131 -7.004 -7.004 285 1HE LYS 37 HE2 LYS 37 8.569 -5.781 -5.781 286 2HE LYS 37 HE1 LYS 37 9.456 -5.065 -5.065 287 1HZ LYS 37 HZ1 LYS 37 10.854 -7.279 -7.279 288 2HZ LYS 37 HZ3 LYS 37 10.313 -7.065 -7.065 289 3HZ LYS 37 HZ2 LYS 37 11.202 -5.837 -5.837 290 HA PRO 38 HA PRO 38 4.561 -9.270 -9.270 291 1HB PRO 38 HB2 PRO 38 4.917 -12.007 -12.007 292 2HB PRO 38 HB1 PRO 38 3.553 -11.245 -11.245 293 1HG PRO 38 HG2 PRO 38 5.843 -12.692 -12.692 294 2HG PRO 38 HG1 PRO 38 4.306 -12.252 -12.252 295 1HD PRO 38 HD2 PRO 38 6.880 -10.930 -10.930 296 2HD PRO 38 HD1 PRO 38 5.351 -10.530 -10.530 297 H LEU 39 HN LEU 39 7.581 -8.710 -8.710 298 HA LEU 39 HA LEU 39 8.673 -10.311 -10.311 299 1HB LEU 39 HB2 LEU 39 9.871 -10.487 -10.487 300 2HB LEU 39 HB1 LEU 39 10.220 -8.767 -8.767 301 HG LEU 39 HG LEU 39 11.719 -9.050 -9.050 302 1HD1 LEU 39 HD13 LEU 39 10.406 -11.734 -11.734 303 2HD1 LEU 39 HD12 LEU 39 11.949 -11.266 -11.266 304 3HD1 LEU 39 HD11 LEU 39 10.494 -10.346 -10.346 305 1HD2 LEU 39 HD22 LEU 39 12.376 -10.147 -10.147 306 2HD2 LEU 39 HD21 LEU 39 13.299 -10.637 -10.637 307 3HD2 LEU 39 HD23 LEU 39 12.033 -11.690 -11.690 308 H HIS 40 HN HIS 40 7.917 -7.105 -7.105 309 HA HIS 40 HA HIS 40 9.663 -5.691 -5.691 310 1HB HIS 40 HB2 HIS 40 8.492 -4.723 -4.723 311 2HB HIS 40 HB1 HIS 40 7.023 -4.677 -4.677 312 HD1 HIS 40 HD1 HIS 40 10.156 -2.864 -2.864 313 HD2 HIS 40 HD2 HIS 40 7.305 -3.003 -3.003 314 HE1 HIS 40 HE1 HIS 40 10.538 -0.812 -0.812 315 H TYR 41 HN TYR 41 6.232 -6.626 -6.626 316 HA TYR 41 HA TYR 41 5.827 -5.511 -5.511 317 1HB TYR 41 HB2 TYR 41 4.294 -7.830 -7.830 318 2HB TYR 41 HB1 TYR 41 3.706 -6.550 -6.550 319 HD1 TYR 41 HD1 TYR 41 4.821 -7.354 -7.354 320 HD2 TYR 41 HD2 TYR 41 3.098 -4.387 -4.387 321 HE1 TYR 41 HE1 TYR 41 4.209 -6.000 -6.000 322 HE2 TYR 41 HE2 TYR 41 2.482 -3.030 -3.030 323 HH TYR 41 HH TYR 41 3.198 -2.766 -2.766 324 H ALA 42 HN ALA 42 6.661 -8.726 -8.726 325 HA ALA 42 HA ALA 42 6.650 -10.062 -10.062 326 1HB ALA 42 HB1 ALA 42 6.763 -11.179 -11.179 327 2HB ALA 42 HB3 ALA 42 8.436 -10.629 -10.629 328 3HB ALA 42 HB2 ALA 42 7.971 -11.776 -11.776 329 H ALA 43 HN ALA 43 9.363 -8.938 -8.938 330 HA ALA 43 HA ALA 43 11.419 -9.056 -9.056 331 1HB ALA 43 HB1 ALA 43 11.645 -8.463 -8.463 332 2HB ALA 43 HB3 ALA 43 10.935 -6.888 -6.888 333 3HB ALA 43 HB2 ALA 43 12.496 -7.322 -7.322 334 H ASP 44 HN ASP 44 9.528 -6.107 -6.107 335 HA ASP 44 HA ASP 44 10.477 -4.500 -4.500 336 1HB ASP 44 HB2 ASP 44 9.096 -3.744 -3.744 337 2HB ASP 44 HB1 ASP 44 7.680 -4.425 -4.425 338 H CYS 45 HN CYS 45 7.710 -6.773 -6.773 339 HA CYS 45 HA CYS 45 7.923 -6.791 -6.791 340 1HB CYS 45 HB2 CYS 45 5.397 -5.872 -5.872 341 2HB CYS 45 HB1 CYS 45 5.534 -6.206 -6.206 342 HG CYS 45 HG CYS 45 6.043 -3.571 -3.571 343 H GLY 46 HN GLY 46 8.498 -8.934 -8.934 344 1HA GLY 46 HA2 GLY 46 6.017 -10.593 -10.593 345 2HA GLY 46 HA1 GLY 46 7.518 -10.922 -10.922 346 H GLN 47 HN GLN 47 7.368 -10.008 -10.008 347 HA GLN 47 HA GLN 47 8.279 -11.174 -11.174 348 1HB GLN 47 HB2 GLN 47 6.630 -13.233 -13.233 349 2HB GLN 47 HB1 GLN 47 7.454 -13.616 -13.616 350 1HG GLN 47 HG2 GLN 47 5.082 -12.849 -12.849 351 2HG GLN 47 HG1 GLN 47 6.263 -11.882 -11.882 352 1HE2 GLN 47 HE21 GLN 47 5.266 -11.749 -11.749 353 2HE2 GLN 47 HE22 GLN 47 4.817 -10.112 -10.112 354 H LEU 48 HN LEU 48 9.582 -11.188 -11.188 355 HA LEU 48 HA LEU 48 11.549 -11.918 -11.918 356 1HB LEU 48 HB2 LEU 48 11.951 -12.434 -12.434 357 2HB LEU 48 HB1 LEU 48 13.186 -12.899 -12.899 358 HG LEU 48 HG LEU 48 13.883 -10.759 -10.759 359 1HD1 LEU 48 HD11 LEU 48 10.981 -9.909 -9.909 360 2HD1 LEU 48 HD13 LEU 48 12.333 -8.777 -8.777 361 3HD1 LEU 48 HD12 LEU 48 12.179 -10.013 -10.013 362 1HD2 LEU 48 HD23 LEU 48 13.283 -10.950 -10.950 363 2HD2 LEU 48 HD22 LEU 48 13.595 -9.339 -9.339 364 3HD2 LEU 48 HD21 LEU 48 11.936 -9.877 -9.877 365 H GLU 49 HN GLU 49 9.273 -13.987 -13.987 366 HA GLU 49 HA GLU 49 10.807 -16.438 -16.438 367 1HB GLU 49 HB2 GLU 49 8.422 -17.474 -17.474 368 2HB GLU 49 HB1 GLU 49 9.433 -16.998 -16.998 369 1HG GLU 49 HG2 GLU 49 8.279 -14.903 -14.903 370 2HG GLU 49 HG1 GLU 49 7.399 -15.162 -15.162 371 H ILE 50 HN ILE 50 8.132 -14.366 -14.366 372 HA ILE 50 HA ILE 50 7.235 -15.825 -15.825 373 HB ILE 50 HB ILE 50 7.189 -12.823 -12.823 374 1HG1 ILE 50 HG12 ILE 50 5.911 -14.931 -14.931 375 2HG1 ILE 50 HG11 ILE 50 5.972 -13.206 -13.206 376 1HG2 ILE 50 HG23 ILE 50 6.608 -13.635 -13.635 377 2HG2 ILE 50 HG22 ILE 50 5.397 -14.717 -14.717 378 3HG2 ILE 50 HG21 ILE 50 5.189 -12.969 -12.969 379 1HD1 ILE 50 HD11 ILE 50 4.006 -14.370 -14.370 380 2HD1 ILE 50 HD13 ILE 50 3.650 -14.301 -14.301 381 3HD1 ILE 50 HD12 ILE 50 3.941 -12.811 -12.811 382 H LEU 51 HN LEU 51 9.607 -13.113 -13.113 383 HA LEU 51 HA LEU 51 10.019 -13.016 -13.016 384 1HB LEU 51 HB2 LEU 51 12.577 -12.600 -12.600 385 2HB LEU 51 HB1 LEU 51 11.338 -11.363 -11.363 386 HG LEU 51 HG LEU 51 12.572 -11.306 -11.306 387 1HD1 LEU 51 HD13 LEU 51 9.783 -11.373 -11.373 388 2HD1 LEU 51 HD12 LEU 51 10.148 -12.335 -12.335 389 3HD1 LEU 51 HD11 LEU 51 10.732 -10.678 -10.678 390 1HD2 LEU 51 HD23 LEU 51 12.988 -13.874 -13.874 391 2HD2 LEU 51 HD22 LEU 51 12.875 -13.103 -13.103 392 3HD2 LEU 51 HD21 LEU 51 11.496 -13.993 -13.993 393 H GLU 52 HN GLU 52 11.788 -15.118 -15.118 394 HA GLU 52 HA GLU 52 13.337 -16.498 -16.498 395 1HB GLU 52 HB2 GLU 52 12.368 -17.009 -17.009 396 2HB GLU 52 HB1 GLU 52 12.754 -18.463 -18.463 397 1HG GLU 52 HG2 GLU 52 14.653 -16.119 -16.119 398 2HG GLU 52 HG1 GLU 52 14.659 -17.393 -17.393 399 H PHE 53 HN PHE 53 9.928 -16.922 -16.922 400 HA PHE 53 HA PHE 53 9.573 -19.464 -19.464 401 1HB PHE 53 HB2 PHE 53 7.896 -18.620 -18.620 402 2HB PHE 53 HB1 PHE 53 7.584 -17.234 -17.234 403 HD1 PHE 53 HD1 PHE 53 7.855 -20.968 -20.968 404 HD2 PHE 53 HD2 PHE 53 5.644 -17.389 -17.389 405 HE1 PHE 53 HE1 PHE 53 6.215 -22.298 -22.298 406 HE2 PHE 53 HE2 PHE 53 4.004 -18.721 -18.721 407 HZ PHE 53 HZ PHE 53 4.291 -21.176 -21.176 408 H LEU 54 HN LEU 54 7.851 -16.721 -16.721 409 HA LEU 54 HA LEU 54 7.674 -17.836 -17.836 410 1HB LEU 54 HB2 LEU 54 6.841 -15.744 -15.744 411 2HB LEU 54 HB1 LEU 54 6.396 -15.906 -15.906 412 HG LEU 54 HG LEU 54 7.110 -13.689 -13.689 413 1HD1 LEU 54 HD13 LEU 54 8.146 -14.989 -14.989 414 2HD1 LEU 54 HD12 LEU 54 9.605 -15.133 -15.133 415 3HD1 LEU 54 HD11 LEU 54 9.039 -13.544 -13.544 416 1HD2 LEU 54 HD22 LEU 54 8.398 -14.309 -14.309 417 2HD2 LEU 54 HD21 LEU 54 8.723 -12.833 -12.833 418 3HD2 LEU 54 HD23 LEU 54 9.786 -14.227 -14.227 419 H LEU 55 HN LEU 55 10.539 -16.805 -16.805 420 HA LEU 55 HA LEU 55 11.806 -16.081 -16.081 421 1HB LEU 55 HB2 LEU 55 12.212 -14.916 -14.916 422 2HB LEU 55 HB1 LEU 55 13.193 -16.324 -16.324 423 HG LEU 55 HG LEU 55 13.598 -14.476 -14.476 424 1HD1 LEU 55 HD11 LEU 55 14.884 -14.704 -14.704 425 2HD1 LEU 55 HD13 LEU 55 15.793 -14.061 -14.061 426 3HD1 LEU 55 HD12 LEU 55 14.316 -13.259 -13.259 427 1HD2 LEU 55 HD21 LEU 55 14.878 -17.050 -17.050 428 2HD2 LEU 55 HD23 LEU 55 14.505 -16.484 -16.484 429 3HD2 LEU 55 HD22 LEU 55 15.890 -15.820 -15.820 430 H LEU 56 HN LEU 56 12.011 -18.534 -18.534 431 HA LEU 56 HA LEU 56 14.099 -20.009 -20.009 432 1HB LEU 56 HB2 LEU 56 13.645 -21.772 -21.772 433 2HB LEU 56 HB1 LEU 56 13.181 -20.317 -20.317 434 HG LEU 56 HG LEU 56 10.799 -20.890 -20.890 435 1HD1 LEU 56 HD12 LEU 56 11.908 -22.987 -22.987 436 2HD1 LEU 56 HD11 LEU 56 11.895 -23.645 -23.645 437 3HD1 LEU 56 HD13 LEU 56 10.378 -23.218 -23.218 438 1HD2 LEU 56 HD23 LEU 56 11.497 -20.680 -20.680 439 2HD2 LEU 56 HD22 LEU 56 10.121 -21.725 -21.725 440 3HD2 LEU 56 HD21 LEU 56 11.706 -22.432 -22.432 441 H LYS 57 HN LYS 57 10.675 -19.884 -19.884 442 HA LYS 57 HA LYS 57 10.652 -22.188 -22.188 443 1HB LYS 57 HB2 LYS 57 8.797 -19.863 -19.863 444 2HB LYS 57 HB1 LYS 57 8.529 -20.900 -20.900 445 1HG LYS 57 HG2 LYS 57 8.961 -22.209 -22.209 446 2HG LYS 57 HG1 LYS 57 7.408 -21.433 -21.433 447 1HD LYS 57 HD2 LYS 57 7.047 -22.800 -22.800 448 2HD LYS 57 HD1 LYS 57 8.658 -23.505 -23.505 449 1HE LYS 57 HE2 LYS 57 8.081 -24.748 -24.748 450 2HE LYS 57 HE1 LYS 57 6.719 -23.697 -23.697 451 1HZ LYS 57 HZ1 LYS 57 5.803 -24.534 -24.534 452 2HZ LYS 57 HZ3 LYS 57 6.904 -25.806 -25.806 453 3HZ LYS 57 HZ2 LYS 57 5.696 -25.543 -25.543 454 H GLY 58 HN GLY 58 9.483 -19.286 -19.286 455 1HA GLY 58 HA2 GLY 58 11.324 -19.512 -19.512 456 2HA GLY 58 HA1 GLY 58 10.214 -18.159 -18.159 457 H ALA 59 HN ALA 59 11.363 -16.254 -16.254 458 HA ALA 59 HA ALA 59 13.084 -15.768 -15.768 459 1HB ALA 59 HB2 ALA 59 14.465 -17.041 -17.041 460 2HB ALA 59 HB1 ALA 59 15.294 -15.712 -15.712 461 3HB ALA 59 HB3 ALA 59 14.815 -17.142 -17.142 462 H ASP 60 HN ASP 60 11.605 -13.989 -13.989 463 HA ASP 60 HA ASP 60 12.246 -12.201 -12.201 464 1HB ASP 60 HB2 ASP 60 9.988 -12.349 -12.349 465 2HB ASP 60 HB1 ASP 60 10.761 -11.517 -11.517 466 H ILE 61 HN ILE 61 13.948 -13.172 -13.172 467 HA ILE 61 HA ILE 61 14.868 -11.088 -11.088 468 HB ILE 61 HB ILE 61 15.659 -13.466 -13.466 469 1HG1 ILE 61 HG12 ILE 61 17.778 -11.298 -11.298 470 2HG1 ILE 61 HG11 ILE 61 16.972 -11.881 -11.881 471 1HG2 ILE 61 HG23 ILE 61 15.916 -13.544 -13.544 472 2HG2 ILE 61 HG22 ILE 61 17.405 -12.617 -12.617 473 3HG2 ILE 61 HG21 ILE 61 17.274 -14.227 -14.227 474 1HD1 ILE 61 HD13 ILE 61 18.012 -14.215 -14.215 475 2HD1 ILE 61 HD12 ILE 61 19.241 -13.051 -13.051 476 3HD1 ILE 61 HD11 ILE 61 18.813 -13.197 -13.197 477 H ASN 62 HN ASN 62 15.218 -11.463 -11.463 478 HA ASN 62 HA ASN 62 16.741 -8.928 -8.928 479 1HB ASN 62 HB2 ASN 62 18.260 -9.916 -9.916 480 2HB ASN 62 HB1 ASN 62 18.405 -10.713 -10.713 481 1HD2 ASN 62 HD21 ASN 62 16.064 -12.342 -12.342 482 2HD2 ASN 62 HD22 ASN 62 16.261 -13.509 -13.509 483 H ALA 63 HN ALA 63 14.687 -11.283 -11.283 484 HA ALA 63 HA ALA 63 14.211 -10.774 -10.774 485 1HB ALA 63 HB3 ALA 63 12.036 -10.466 -10.466 486 2HB ALA 63 HB2 ALA 63 11.715 -10.511 -10.511 487 3HB ALA 63 HB1 ALA 63 12.455 -11.899 -11.899 488 HA PRO 64 HA PRO 64 11.929 -6.245 -6.245 489 1HB PRO 64 HB2 PRO 64 14.675 -5.690 -5.690 490 2HB PRO 64 HB1 PRO 64 13.134 -4.880 -4.880 491 1HG PRO 64 HG2 PRO 64 14.232 -7.044 -7.044 492 2HG PRO 64 HG1 PRO 64 12.555 -6.485 -6.485 493 1HD PRO 64 HD2 PRO 64 13.365 -9.027 -9.027 494 2HD PRO 64 HD1 PRO 64 11.782 -8.266 -8.266 495 H ASP 65 HN ASP 65 11.824 -5.080 -5.080 496 HA ASP 65 HA ASP 65 14.177 -4.541 -4.541 497 1HB ASP 65 HB2 ASP 65 11.560 -5.796 -5.796 498 2HB ASP 65 HB1 ASP 65 12.570 -4.891 -4.891 499 H LYS 66 HN LYS 66 10.695 -3.995 -3.995 500 HA LYS 66 HA LYS 66 10.896 -1.220 -1.220 501 1HB LYS 66 HB2 LYS 66 8.941 -2.888 -2.888 502 2HB LYS 66 HB1 LYS 66 8.505 -2.497 -2.497 503 1HG LYS 66 HG2 LYS 66 7.303 -0.916 -0.916 504 2HG LYS 66 HG1 LYS 66 8.763 -0.020 -0.020 505 1HD LYS 66 HD2 LYS 66 9.609 -0.261 -0.261 506 2HD LYS 66 HD1 LYS 66 8.461 -1.542 -1.542 507 1HE LYS 66 HE2 LYS 66 7.833 0.654 0.654 508 2HE LYS 66 HE1 LYS 66 6.603 0.039 0.039 509 1HZ LYS 66 HZ2 LYS 66 8.298 1.488 1.488 510 2HZ LYS 66 HZ1 LYS 66 8.159 2.423 2.423 511 3HZ LYS 66 HZ3 LYS 66 6.767 1.980 1.980 512 H HIS 67 HN HIS 67 10.793 -3.052 -3.052 513 HA HIS 67 HA HIS 67 10.197 -0.768 -0.768 514 1HB HIS 67 HB2 HIS 67 11.554 -3.249 -3.249 515 2HB HIS 67 HB1 HIS 67 10.270 -2.296 -2.296 516 HD1 HIS 67 HD1 HIS 67 8.556 -2.318 -2.318 517 HD2 HIS 67 HD2 HIS 67 9.933 -5.625 -5.625 518 HE1 HIS 67 HE1 HIS 67 7.090 -4.268 -4.268 519 H HIS 68 HN HIS 68 12.823 -1.698 -1.698 520 HA HIS 68 HA HIS 68 15.140 -1.355 -1.355 521 1HB HIS 68 HB2 HIS 68 15.594 1.104 1.104 522 2HB HIS 68 HB1 HIS 68 14.623 0.815 0.815 523 HD1 HIS 68 HD1 HIS 68 12.064 1.281 1.281 524 HD2 HIS 68 HD2 HIS 68 14.180 2.245 2.245 525 HE1 HIS 68 HE1 HIS 68 10.502 2.666 2.666 526 H ILE 69 HN ILE 69 14.113 -2.719 -2.719 527 HA ILE 69 HA ILE 69 16.382 -2.003 -2.003 528 HB ILE 69 HB ILE 69 13.889 -0.849 -0.849 529 1HG1 ILE 69 HG12 ILE 69 16.137 0.121 0.121 530 2HG1 ILE 69 HG11 ILE 69 15.225 0.196 0.196 531 1HG2 ILE 69 HG21 ILE 69 13.403 -3.024 -3.024 532 2HG2 ILE 69 HG23 ILE 69 14.811 -2.678 -2.678 533 3HG2 ILE 69 HG22 ILE 69 13.437 -1.578 -1.578 534 1HD1 ILE 69 HD12 ILE 69 16.447 -2.114 -2.114 535 2HD1 ILE 69 HD11 ILE 69 17.606 -1.498 -1.498 536 3HD1 ILE 69 HD13 ILE 69 17.274 -0.588 -0.588 537 H THR 70 HN THR 70 16.685 -3.200 -3.200 538 HA THR 70 HA THR 70 15.952 -6.059 -6.059 539 HB THR 70 HB THR 70 18.224 -6.436 -6.436 540 HG1 THR 70 HG1 THR 70 17.809 -4.540 -4.540 541 1HG2 THR 70 HG22 THR 70 17.973 -4.647 -4.647 542 2HG2 THR 70 HG21 THR 70 18.453 -3.493 -3.493 543 3HG2 THR 70 HG23 THR 70 19.567 -4.765 -4.765 544 HA PRO 71 HA PRO 71 13.692 -4.582 -4.582 545 1HB PRO 71 HB2 PRO 71 13.092 -7.439 -7.439 546 2HB PRO 71 HB1 PRO 71 11.987 -6.073 -6.073 547 1HG PRO 71 HG2 PRO 71 12.441 -7.946 -7.946 548 2HG PRO 71 HG1 PRO 71 12.017 -6.265 -6.265 549 1HD PRO 71 HD2 PRO 71 14.674 -7.619 -7.619 550 2HD PRO 71 HD1 PRO 71 14.031 -6.247 -6.247 551 H LEU 72 HN LEU 72 16.440 -6.629 -6.629 552 HA LEU 72 HA LEU 72 16.434 -7.309 -7.309 553 1HB LEU 72 HB2 LEU 72 19.042 -6.474 -6.474 554 2HB LEU 72 HB1 LEU 72 18.644 -7.921 -7.921 555 HG LEU 72 HG LEU 72 19.177 -8.608 -8.608 556 1HD1 LEU 72 HD12 LEU 72 16.234 -8.707 -8.707 557 2HD1 LEU 72 HD11 LEU 72 16.844 -9.354 -9.354 558 3HD1 LEU 72 HD13 LEU 72 17.432 -10.003 -10.003 559 1HD2 LEU 72 HD21 LEU 72 17.985 -6.096 -6.096 560 2HD2 LEU 72 HD23 LEU 72 19.009 -7.148 -7.148 561 3HD2 LEU 72 HD22 LEU 72 17.263 -7.381 -7.381 562 H LEU 73 HN LEU 73 17.070 -4.375 -4.375 563 HA LEU 73 HA LEU 73 18.065 -2.810 -2.810 564 1HB LEU 73 HB2 LEU 73 16.765 -2.057 -2.057 565 2HB LEU 73 HB1 LEU 73 17.341 -0.859 -0.859 566 HG LEU 73 HG LEU 73 19.572 -2.298 -2.298 567 1HD1 LEU 73 HD12 LEU 73 18.195 -2.815 -2.815 568 2HD1 LEU 73 HD11 LEU 73 19.900 -3.136 -3.136 569 3HD1 LEU 73 HD13 LEU 73 18.651 -4.024 -4.024 570 1HD2 LEU 73 HD23 LEU 73 18.506 -0.182 -0.182 571 2HD2 LEU 73 HD22 LEU 73 19.697 -0.026 -0.026 572 3HD2 LEU 73 HD21 LEU 73 20.141 -0.816 -0.816 573 H SER 74 HN SER 74 14.984 -3.902 -3.902 574 HA SER 74 HA SER 74 13.347 -1.889 -1.889 575 1HB SER 74 HB2 SER 74 12.560 -3.780 -3.780 576 2HB SER 74 HB1 SER 74 12.684 -4.843 -4.843 577 HG SER 74 HG SER 74 11.252 -2.412 -2.412 578 H ALA 75 HN ALA 75 14.501 -4.895 -4.895 579 HA ALA 75 HA ALA 75 13.328 -4.318 -4.318 580 1HB ALA 75 HB2 ALA 75 15.673 -6.095 -6.095 581 2HB ALA 75 HB1 ALA 75 14.872 -6.079 -6.079 582 3HB ALA 75 HB3 ALA 75 13.985 -6.595 -6.595 583 H VAL 76 HN VAL 76 16.340 -3.384 -3.384 584 HA VAL 76 HA VAL 76 17.938 -2.722 -2.722 585 HB VAL 76 HB VAL 76 17.472 -1.276 -1.276 586 1HG1 VAL 76 HG11 VAL 76 19.374 -0.643 -0.643 587 2HG1 VAL 76 HG13 VAL 76 19.882 -0.388 -0.388 588 3HG1 VAL 76 HG12 VAL 76 18.467 0.455 0.455 589 1HG2 VAL 76 HG22 VAL 76 19.574 -3.198 -3.198 590 2HG2 VAL 76 HG21 VAL 76 18.321 -3.538 -3.538 591 3HG2 VAL 76 HG23 VAL 76 19.624 -2.415 -2.415 592 H TYR 77 HN TYR 77 15.863 -0.312 -0.312 593 HA TYR 77 HA TYR 77 15.992 1.469 1.469 594 1HB TYR 77 HB2 TYR 77 13.660 1.618 1.618 595 2HB TYR 77 HB1 TYR 77 14.703 2.906 2.906 596 HD1 TYR 77 HD2 TYR 77 16.857 3.388 3.388 597 HD2 TYR 77 HD1 TYR 77 14.271 0.289 0.289 598 HE1 TYR 77 HE2 TYR 77 18.143 3.312 3.312 599 HE2 TYR 77 HE1 TYR 77 15.559 0.217 0.217 600 HH TYR 77 HH TYR 77 18.461 1.215 1.215 601 H GLU 78 HN GLU 78 15.187 -1.195 -1.195 602 HA GLU 78 HA GLU 78 12.416 -0.619 -0.619 603 1HB GLU 78 HB2 GLU 78 12.904 -2.618 -2.618 604 2HB GLU 78 HB1 GLU 78 13.519 -3.405 -3.405 605 1HG GLU 78 HG2 GLU 78 11.205 -4.009 -4.009 606 2HG GLU 78 HG1 GLU 78 11.311 -2.826 -2.826 607 H GLY 79 HN GLY 79 15.594 -1.959 -1.959 608 1HA GLY 79 HA2 GLY 79 16.697 -1.823 -1.823 609 2HA GLY 79 HA1 GLY 79 15.115 -1.601 -1.601 610 H HIS 80 HN HIS 80 14.540 -3.846 -3.846 611 HA HIS 80 HA HIS 80 14.504 -6.050 -6.050 612 1HB HIS 80 HB2 HIS 80 13.666 -5.618 -5.618 613 2HB HIS 80 HB1 HIS 80 13.890 -7.274 -7.274 614 HD1 HIS 80 HD1 HIS 80 11.767 -8.229 -8.229 615 HD2 HIS 80 HD2 HIS 80 11.991 -4.173 -4.173 616 HE1 HIS 80 HE1 HIS 80 9.619 -7.654 -7.654 617 H VAL 81 HN VAL 81 15.994 -5.596 -5.596 618 HA VAL 81 HA VAL 81 17.757 -6.859 -6.859 619 HB VAL 81 HB VAL 81 19.863 -6.065 -6.065 620 1HG1 VAL 81 HG12 VAL 81 18.050 -4.830 -4.830 621 2HG1 VAL 81 HG11 VAL 81 18.666 -3.597 -3.597 622 3HG1 VAL 81 HG13 VAL 81 19.789 -4.586 -4.586 623 1HG2 VAL 81 HG23 VAL 81 18.449 -5.600 -5.600 624 2HG2 VAL 81 HG22 VAL 81 19.355 -4.197 -4.197 625 3HG2 VAL 81 HG21 VAL 81 17.632 -4.334 -4.334 626 H SER 82 HN SER 82 16.236 -8.390 -8.390 627 HA SER 82 HA SER 82 18.329 -10.213 -10.213 628 1HB SER 82 HB2 SER 82 15.903 -9.542 -9.542 629 2HB SER 82 HB1 SER 82 15.428 -10.939 -10.939 630 HG SER 82 HG SER 82 17.623 -10.909 -10.909 631 H CYS 83 HN CYS 83 16.130 -9.539 -9.539 632 HA CYS 83 HA CYS 83 16.273 -12.173 -12.173 633 1HB CYS 83 HB2 CYS 83 14.745 -11.332 -11.332 634 2HB CYS 83 HB1 CYS 83 14.287 -10.492 -10.492 635 HG CYS 83 HG CYS 83 16.277 -8.999 -8.999 636 H VAL 84 HN VAL 84 17.576 -8.852 -8.852 637 HA VAL 84 HA VAL 84 18.929 -9.331 -9.331 638 HB VAL 84 HB VAL 84 20.686 -7.749 -7.749 639 1HG1 VAL 84 HG12 VAL 84 17.846 -7.066 -7.066 640 2HG1 VAL 84 HG11 VAL 84 19.143 -5.868 -5.868 641 3HG1 VAL 84 HG13 VAL 84 18.709 -6.666 -6.666 642 1HG2 VAL 84 HG21 VAL 84 19.543 -8.353 -8.353 643 2HG2 VAL 84 HG23 VAL 84 21.231 -8.312 -8.312 644 3HG2 VAL 84 HG22 VAL 84 20.334 -6.805 -6.805 645 H LYS 85 HN LYS 85 20.095 -10.062 -10.062 646 HA LYS 85 HA LYS 85 22.517 -11.323 -11.323 647 1HB LYS 85 HB2 LYS 85 20.745 -11.206 -11.206 648 2HB LYS 85 HB1 LYS 85 21.629 -12.724 -12.724 649 1HG LYS 85 HG2 LYS 85 23.733 -11.621 -11.621 650 2HG LYS 85 HG1 LYS 85 23.007 -10.055 -10.055 651 1HD LYS 85 HD2 LYS 85 21.868 -10.087 -10.087 652 2HD LYS 85 HD1 LYS 85 22.620 -11.643 -11.643 653 1HE LYS 85 HE2 LYS 85 24.212 -9.166 -9.166 654 2HE LYS 85 HE1 LYS 85 23.823 -9.624 -9.624 655 1HZ LYS 85 HZ3 LYS 85 24.820 -11.861 -11.861 656 2HZ LYS 85 HZ2 LYS 85 25.474 -11.080 -11.080 657 3HZ LYS 85 HZ1 LYS 85 25.899 -10.570 -10.570 658 H LEU 86 HN LEU 86 19.353 -12.727 -12.727 659 HA LEU 86 HA LEU 86 19.896 -15.403 -15.403 660 1HB LEU 86 HB2 LEU 86 17.858 -14.085 -14.085 661 2HB LEU 86 HB1 LEU 86 17.215 -14.181 -14.181 662 HG LEU 86 HG LEU 86 18.139 -16.516 -16.516 663 1HD1 LEU 86 HD12 LEU 86 15.416 -15.484 -15.484 664 2HD1 LEU 86 HD11 LEU 86 15.685 -17.020 -17.020 665 3HD1 LEU 86 HD13 LEU 86 16.073 -15.501 -15.501 666 1HD2 LEU 86 HD22 LEU 86 17.082 -16.255 -16.255 667 2HD2 LEU 86 HD21 LEU 86 18.503 -17.140 -17.140 668 3HD2 LEU 86 HD23 LEU 86 16.888 -17.752 -17.752 669 H LEU 87 HN LEU 87 19.318 -12.546 -12.546 670 HA LEU 87 HA LEU 87 18.358 -13.940 -13.940 671 1HB LEU 87 HB2 LEU 87 18.586 -11.259 -11.259 672 2HB LEU 87 HB1 LEU 87 19.283 -11.336 -11.336 673 HG LEU 87 HG LEU 87 16.585 -12.489 -12.489 674 1HD1 LEU 87 HD13 LEU 87 17.397 -9.749 -9.749 675 2HD1 LEU 87 HD12 LEU 87 15.804 -10.403 -10.403 676 3HD1 LEU 87 HD11 LEU 87 16.279 -10.178 -10.178 677 1HD2 LEU 87 HD21 LEU 87 18.138 -12.099 -12.099 678 2HD2 LEU 87 HD23 LEU 87 17.264 -13.524 -13.524 679 3HD2 LEU 87 HD22 LEU 87 16.374 -12.126 -12.126 680 H LEU 88 HN LEU 88 21.417 -12.049 -12.049 681 HA LEU 88 HA LEU 88 22.376 -12.890 -12.890 682 1HB LEU 88 HB2 LEU 88 24.434 -11.975 -11.975 683 2HB LEU 88 HB1 LEU 88 23.311 -11.057 -11.057 684 HG LEU 88 HG LEU 88 25.183 -11.546 -11.546 685 1HD1 LEU 88 HD13 LEU 88 22.740 -12.132 -12.132 686 2HD1 LEU 88 HD12 LEU 88 23.414 -13.757 -13.757 687 3HD1 LEU 88 HD11 LEU 88 24.151 -12.432 -12.432 688 1HD2 LEU 88 HD23 LEU 88 25.644 -13.727 -13.727 689 2HD2 LEU 88 HD22 LEU 88 26.466 -13.412 -13.412 690 3HD2 LEU 88 HD21 LEU 88 25.078 -14.496 -14.496 691 H SER 89 HN SER 89 21.984 -14.724 -14.724 692 HA SER 89 HA SER 89 24.086 -16.615 -16.615 693 1HB SER 89 HB2 SER 89 22.663 -16.709 -16.709 694 2HB SER 89 HB1 SER 89 21.227 -16.936 -16.936 695 HG SER 89 HG SER 89 22.018 -18.944 -18.944 696 H LYS 90 HN LYS 90 21.402 -15.806 -15.806 697 HA LYS 90 HA LYS 90 21.575 -18.300 -18.300 698 1HB LYS 90 HB2 LYS 90 19.487 -16.151 -16.151 699 2HB LYS 90 HB1 LYS 90 19.427 -17.260 -17.260 700 1HG LYS 90 HG2 LYS 90 18.856 -19.041 -19.041 701 2HG LYS 90 HG1 LYS 90 19.876 -18.539 -18.539 702 1HD LYS 90 HD2 LYS 90 17.480 -18.450 -18.450 703 2HD LYS 90 HD1 LYS 90 18.215 -16.847 -16.847 704 1HE LYS 90 HE2 LYS 90 17.122 -16.145 -16.145 705 2HE LYS 90 HE1 LYS 90 16.909 -17.791 -17.791 706 1HZ LYS 90 HZ3 LYS 90 15.613 -16.968 -16.968 707 2HZ LYS 90 HZ2 LYS 90 14.911 -16.533 -16.533 708 3HZ LYS 90 HZ1 LYS 90 15.149 -18.171 -18.171 709 H GLY 91 HN GLY 91 22.311 -14.930 -14.930 710 1HA GLY 91 HA2 GLY 91 24.087 -14.548 -14.548 711 2HA GLY 91 HA1 GLY 91 22.702 -14.867 -14.867 712 H ALA 92 HN ALA 92 21.173 -13.257 -13.257 713 HA ALA 92 HA ALA 92 20.356 -11.057 -11.057 714 1HB ALA 92 HB3 ALA 92 20.564 -11.933 -11.933 715 2HB ALA 92 HB2 ALA 92 20.823 -10.191 -10.191 716 3HB ALA 92 HB1 ALA 92 19.340 -10.894 -10.894 717 H ASP 93 HN ASP 93 23.660 -11.569 -11.569 718 HA ASP 93 HA ASP 93 25.488 -10.071 -10.071 719 1HB ASP 93 HB2 ASP 93 24.819 -10.001 -10.001 720 2HB ASP 93 HB1 ASP 93 24.077 -8.445 -8.445 721 H LYS 94 HN LYS 94 24.379 -7.127 -7.127 722 HA LYS 94 HA LYS 94 22.957 -6.367 -6.367 723 1HB LYS 94 HB2 LYS 94 25.156 -6.640 -6.640 724 2HB LYS 94 HB1 LYS 94 25.881 -5.602 -5.602 725 1HG LYS 94 HG2 LYS 94 25.514 -4.319 -4.319 726 2HG LYS 94 HG1 LYS 94 24.452 -3.726 -3.726 727 1HD LYS 94 HD2 LYS 94 23.275 -5.873 -5.873 728 2HD LYS 94 HD1 LYS 94 23.640 -4.399 -4.399 729 1HE LYS 94 HE2 LYS 94 22.375 -3.212 -3.212 730 2HE LYS 94 HE1 LYS 94 21.685 -4.819 -4.819 731 1HZ LYS 94 HZ3 LYS 94 21.594 -4.317 -4.317 732 2HZ LYS 94 HZ2 LYS 94 21.013 -2.916 -2.916 733 3HZ LYS 94 HZ1 LYS 94 20.290 -4.422 -4.422 734 H THR 95 HN THR 95 24.648 -5.568 -5.568 735 HA THR 95 HA THR 95 23.006 -3.083 -3.083 736 HB THR 95 HB THR 95 24.917 -2.140 -2.140 737 HG1 THR 95 HG1 THR 95 25.886 -4.636 -4.636 738 1HG2 THR 95 HG23 THR 95 24.524 -1.635 -1.635 739 2HG2 THR 95 HG22 THR 95 25.691 -2.898 -2.898 740 3HG2 THR 95 HG21 THR 95 26.205 -1.470 -1.470 741 H VAL 96 HN VAL 96 22.021 -5.478 -5.478 742 HA VAL 96 HA VAL 96 22.790 -6.051 -6.051 743 HB VAL 96 HB VAL 96 20.220 -6.733 -6.733 744 1HG1 VAL 96 HG13 VAL 96 21.471 -7.664 -7.664 745 2HG1 VAL 96 HG12 VAL 96 20.249 -8.613 -8.613 746 3HG1 VAL 96 HG11 VAL 96 19.857 -7.001 -7.001 747 1HG2 VAL 96 HG23 VAL 96 22.896 -8.118 -8.118 748 2HG2 VAL 96 HG22 VAL 96 21.992 -7.733 -7.733 749 3HG2 VAL 96 HG21 VAL 96 21.420 -9.004 -9.004 750 H LYS 97 HN LYS 97 20.503 -3.727 -3.727 751 HA LYS 97 HA LYS 97 20.142 -2.631 -2.631 752 1HB LYS 97 HB2 LYS 97 18.383 -4.573 -4.573 753 2HB LYS 97 HB1 LYS 97 17.528 -3.238 -3.238 754 1HG LYS 97 HG2 LYS 97 16.712 -3.118 -3.118 755 2HG LYS 97 HG1 LYS 97 18.045 -1.966 -1.966 756 1HD LYS 97 HD2 LYS 97 18.486 -3.220 -3.220 757 2HD LYS 97 HD1 LYS 97 19.451 -4.089 -4.089 758 1HE LYS 97 HE2 LYS 97 18.249 -5.783 -5.783 759 2HE LYS 97 HE1 LYS 97 17.359 -5.558 -5.558 760 1HZ LYS 97 HZ1 LYS 97 16.574 -3.870 -3.870 761 2HZ LYS 97 HZ3 LYS 97 16.210 -5.520 -5.520 762 3HZ LYS 97 HZ2 LYS 97 15.616 -4.634 -4.634 763 H GLY 98 HN GLY 98 20.471 -2.067 -2.067 764 1HA GLY 98 HA2 GLY 98 18.648 0.196 0.196 765 2HA GLY 98 HA1 GLY 98 20.003 -0.149 -0.149 766 HA PRO 99 HA PRO 99 20.617 3.629 3.629 767 1HB PRO 99 HB2 PRO 99 21.693 4.482 4.482 768 2HB PRO 99 HB1 PRO 99 20.820 5.441 5.441 769 1HG PRO 99 HG2 PRO 99 19.620 4.454 4.454 770 2HG PRO 99 HG1 PRO 99 18.738 4.728 4.728 771 1HD PRO 99 HD2 PRO 99 19.439 2.165 2.165 772 2HD PRO 99 HD1 PRO 99 18.303 2.477 2.477 773 H ASP 100 HN ASP 100 22.850 3.017 3.017 774 HA ASP 100 HA ASP 100 24.753 1.638 1.638 775 1HB ASP 100 HB2 ASP 100 24.939 4.032 4.032 776 2HB ASP 100 HB1 ASP 100 25.486 4.465 4.465 777 H GLY 101 HN GLY 101 26.561 3.538 3.538 778 1HA GLY 101 HA2 GLY 101 27.070 1.479 1.479 779 2HA GLY 101 HA1 GLY 101 27.575 3.159 3.159 780 H LEU 102 HN LEU 102 24.269 3.169 3.169 781 HA LEU 102 HA LEU 102 23.646 4.177 4.177 782 1HB LEU 102 HB2 LEU 102 22.067 4.208 4.208 783 2HB LEU 102 HB1 LEU 102 21.674 2.526 2.526 784 HG LEU 102 HG LEU 102 21.474 4.780 4.780 785 1HD1 LEU 102 HD11 LEU 102 19.288 3.593 3.593 786 2HD1 LEU 102 HD13 LEU 102 19.030 4.686 4.686 787 3HD1 LEU 102 HD12 LEU 102 19.907 5.242 5.242 788 1HD2 LEU 102 HD21 LEU 102 20.845 1.861 1.861 789 2HD2 LEU 102 HD23 LEU 102 21.448 2.917 2.917 790 3HD2 LEU 102 HD22 LEU 102 19.739 2.948 2.948 791 H THR 103 HN THR 103 22.462 1.030 1.030 792 HA THR 103 HA THR 103 21.781 -0.672 -0.672 793 HB THR 103 HB THR 103 23.743 -1.660 -1.660 794 HG1 THR 103 HG1 THR 103 23.712 -2.761 -2.761 795 1HG2 THR 103 HG23 THR 103 25.248 0.489 0.489 796 2HG2 THR 103 HG22 THR 103 26.019 -0.852 -0.852 797 3HG2 THR 103 HG21 THR 103 25.073 0.334 0.334 798 H ALA 104 HN ALA 104 24.421 -0.364 -0.364 799 HA ALA 104 HA ALA 104 22.655 0.551 0.551 800 1HB ALA 104 HB1 ALA 104 24.179 -1.468 -1.468 801 2HB ALA 104 HB3 ALA 104 25.523 -0.330 -0.330 802 3HB ALA 104 HB2 ALA 104 24.308 -0.372 -0.372 803 H LEU 105 HN LEU 105 25.517 1.683 1.683 804 HA LEU 105 HA LEU 105 26.532 3.552 3.552 805 1HB LEU 105 HB2 LEU 105 26.200 4.098 4.098 806 2HB LEU 105 HB1 LEU 105 27.456 4.697 4.697 807 HG LEU 105 HG LEU 105 27.051 1.834 1.834 808 1HD1 LEU 105 HD13 LEU 105 28.105 3.470 3.470 809 2HD1 LEU 105 HD12 LEU 105 29.366 3.745 3.745 810 3HD1 LEU 105 HD11 LEU 105 29.173 2.150 2.150 811 1HD2 LEU 105 HD23 LEU 105 28.848 3.109 3.109 812 2HD2 LEU 105 HD22 LEU 105 27.810 1.695 1.695 813 3HD2 LEU 105 HD21 LEU 105 29.282 1.591 1.591 814 H GLU 106 HN GLU 106 24.196 4.500 4.500 815 HA GLU 106 HA GLU 106 23.792 6.996 6.996 816 1HB GLU 106 HB2 GLU 106 23.520 7.642 7.642 817 2HB GLU 106 HB1 GLU 106 23.264 5.993 5.993 818 1HG GLU 106 HG2 GLU 106 21.263 7.094 7.094 819 2HG GLU 106 HG1 GLU 106 20.845 6.297 6.297 820 H ALA 107 HN ALA 107 22.487 3.934 3.934 821 HA ALA 107 HA ALA 107 19.756 4.732 4.732 822 1HB ALA 107 HB2 ALA 107 20.281 2.461 2.461 823 2HB ALA 107 HB1 ALA 107 21.248 2.198 2.198 824 3HB ALA 107 HB3 ALA 107 19.506 2.430 2.430 825 H THR 108 HN THR 108 22.612 3.986 3.986 826 HA THR 108 HA THR 108 21.225 5.395 5.395 827 HB THR 108 HB THR 108 20.304 3.143 3.143 828 HG1 THR 108 HG1 THR 108 21.727 2.596 2.596 829 1HG2 THR 108 HG21 THR 108 23.100 2.457 2.457 830 2HG2 THR 108 HG23 THR 108 22.408 1.472 1.472 831 3HG2 THR 108 HG22 THR 108 21.636 1.521 1.521 832 H ASP 109 HN ASP 109 22.590 4.229 4.229 833 HA ASP 109 HA ASP 109 25.478 4.534 4.534 834 1HB ASP 109 HB2 ASP 109 24.659 6.804 6.804 835 2HB ASP 109 HB1 ASP 109 23.933 6.162 6.162 836 H ASN 110 HN ASN 110 22.882 2.887 2.887 837 HA ASN 110 HA ASN 110 24.052 2.031 2.031 838 1HB ASN 110 HB2 ASN 110 22.304 0.252 0.252 839 2HB ASN 110 HB1 ASN 110 21.616 1.853 1.853 840 1HD2 ASN 110 HD21 ASN 110 22.851 -0.938 -0.938 841 2HD2 ASN 110 HD22 ASN 110 21.833 -0.725 -0.725 842 H GLN 111 HN GLN 111 25.277 0.134 0.134 843 HA GLN 111 HA GLN 111 26.661 -0.731 -0.731 844 1HB GLN 111 HB2 GLN 111 28.040 -0.290 -0.290 845 2HB GLN 111 HB1 GLN 111 27.027 -1.204 -1.204 846 1HG GLN 111 HG2 GLN 111 27.782 -3.275 -3.275 847 2HG GLN 111 HG1 GLN 111 28.406 -2.542 -2.542 848 1HE2 GLN 111 HE21 GLN 111 29.956 -4.176 -4.176 849 2HE2 GLN 111 HE22 GLN 111 31.197 -3.176 -3.176 850 H ALA 112 HN ALA 112 23.761 -1.724 -1.724 851 HA ALA 112 HA ALA 112 24.166 -4.624 -4.624 852 1HB ALA 112 HB1 ALA 112 22.226 -3.489 -3.489 853 2HB ALA 112 HB3 ALA 112 21.591 -3.070 -3.070 854 3HB ALA 112 HB2 ALA 112 21.740 -4.763 -4.763 855 H ILE 113 HN ILE 113 22.792 -2.164 -2.164 856 HA ILE 113 HA ILE 113 22.433 -3.850 -3.850 857 HB ILE 113 HB ILE 113 22.461 -0.854 -0.854 858 1HG1 ILE 113 HG12 ILE 113 20.053 -2.404 -2.404 859 2HG1 ILE 113 HG11 ILE 113 20.705 -2.757 -2.757 860 1HG2 ILE 113 HG22 ILE 113 22.901 -2.025 -2.025 861 2HG2 ILE 113 HG21 ILE 113 21.139 -1.930 -1.930 862 3HG2 ILE 113 HG23 ILE 113 22.105 -0.467 -0.467 863 1HD1 ILE 113 HD13 ILE 113 20.456 0.133 0.133 864 2HD1 ILE 113 HD12 ILE 113 18.928 -0.746 -0.746 865 3HD1 ILE 113 HD11 ILE 113 20.028 -0.762 -0.762 866 H LYS 114 HN LYS 114 24.737 -1.259 -1.259 867 HA LYS 114 HA LYS 114 26.269 -1.468 -1.468 868 1HB LYS 114 HB2 LYS 114 27.393 -0.985 -0.985 869 2HB LYS 114 HB1 LYS 114 28.098 -0.459 -0.459 870 1HG LYS 114 HG2 LYS 114 25.314 0.436 0.436 871 2HG LYS 114 HG1 LYS 114 26.722 1.261 1.261 872 1HD LYS 114 HD2 LYS 114 27.504 1.385 1.385 873 2HD LYS 114 HD1 LYS 114 25.797 1.113 1.113 874 1HE LYS 114 HE2 LYS 114 25.996 3.468 3.468 875 2HE LYS 114 HE1 LYS 114 25.341 3.054 3.054 876 1HZ LYS 114 HZ1 LYS 114 28.064 2.881 2.881 877 2HZ LYS 114 HZ3 LYS 114 27.831 4.268 4.268 878 3HZ LYS 114 HZ2 LYS 114 27.067 4.137 4.137 879 H ALA 115 HN ALA 115 25.680 -3.780 -3.780 880 HA ALA 115 HA ALA 115 28.124 -5.256 -5.256 881 1HB ALA 115 HB3 ALA 115 26.050 -5.593 -5.593 882 2HB ALA 115 HB2 ALA 115 25.417 -6.571 -6.571 883 3HB ALA 115 HB1 ALA 115 26.927 -7.025 -7.025 884 H LEU 116 HN LEU 116 25.146 -5.389 -5.389 885 HA LEU 116 HA LEU 116 26.178 -7.452 -7.452 886 1HB LEU 116 HB2 LEU 116 23.929 -5.489 -5.489 887 2HB LEU 116 HB1 LEU 116 24.520 -6.105 -6.105 888 HG LEU 116 HG LEU 116 23.093 -7.558 -7.558 889 1HD1 LEU 116 HD12 LEU 116 22.951 -7.593 -7.593 890 2HD1 LEU 116 HD11 LEU 116 21.897 -8.520 -8.520 891 3HD1 LEU 116 HD13 LEU 116 21.843 -6.756 -6.756 892 1HD2 LEU 116 HD23 LEU 116 25.097 -8.814 -8.814 893 2HD2 LEU 116 HD22 LEU 116 24.897 -9.097 -9.097 894 3HD2 LEU 116 HD21 LEU 116 23.702 -9.717 -9.717 895 H LEU 117 HN LEU 117 27.308 -4.348 -4.348 896 HA LEU 117 HA LEU 117 28.057 -3.749 -3.749 897 1HB LEU 117 HB2 LEU 117 27.826 -2.164 -2.164 898 2HB LEU 117 HB1 LEU 117 29.566 -2.441 -2.441 899 HG LEU 117 HG LEU 117 29.021 -0.428 -0.428 900 1HD1 LEU 117 HD11 LEU 117 30.821 -2.073 -2.073 901 2HD1 LEU 117 HD13 LEU 117 29.683 -2.585 -2.585 902 3HD1 LEU 117 HD12 LEU 117 30.255 -0.917 -0.917 903 1HD2 LEU 117 HD21 LEU 117 26.729 -1.876 -1.876 904 2HD2 LEU 117 HD23 LEU 117 27.179 -0.260 -0.260 905 3HD2 LEU 117 HD22 LEU 117 27.646 -1.666 -1.666 906 H GLN 118 HN GLN 118 28.821 -5.915 -5.915 907 HA GLN 118 HA GLN 118 31.667 -6.075 -6.075 908 1HB GLN 118 HB2 GLN 118 29.437 -8.001 -8.001 909 2HB GLN 118 HB1 GLN 118 31.090 -8.599 -8.599 910 1HG GLN 118 HG2 GLN 118 31.785 -7.211 -7.211 911 2HG GLN 118 HG1 GLN 118 30.275 -6.299 -6.299 912 1HE2 GLN 118 HE21 GLN 118 28.469 -8.547 -8.547 913 2HE2 GLN 118 HE22 GLN 118 28.521 -9.435 -9.435 Start of MODEL 19 1 1H MET 1 HT2 MET 1 -10.687 -5.456 -5.456 2 2H MET 1 HT1 MET 1 -12.008 -4.595 -4.595 3 3H MET 1 HT3 MET 1 -10.489 -4.484 -4.484 4 HA MET 1 HA MET 1 -11.115 -6.102 -6.102 5 1HB MET 1 HB2 MET 1 -13.386 -6.482 -6.482 6 2HB MET 1 HB1 MET 1 -13.240 -7.390 -7.390 7 1HG MET 1 HG2 MET 1 -13.259 -5.283 -5.283 8 2HG MET 1 HG1 MET 1 -13.395 -4.368 -4.368 9 1HE MET 1 HE2 MET 1 -15.274 -3.324 -3.324 10 2HE MET 1 HE1 MET 1 -16.859 -4.040 -4.040 11 3HE MET 1 HE3 MET 1 -15.467 -4.562 -4.562 12 H CYS 2 HN CYS 2 -11.754 -8.694 -8.694 13 HA CYS 2 HA CYS 2 -10.801 -10.756 -10.756 14 1HB CYS 2 HB2 CYS 2 -12.162 -10.431 -10.431 15 2HB CYS 2 HB1 CYS 2 -10.910 -9.422 -9.422 16 HG CYS 2 HG CYS 2 -9.852 -11.494 -11.494 17 H ASP 3 HN ASP 3 -9.109 -9.042 -9.042 18 HA ASP 3 HA ASP 3 -6.604 -10.144 -10.144 19 1HB ASP 3 HB2 ASP 3 -7.182 -7.293 -7.293 20 2HB ASP 3 HB1 ASP 3 -5.667 -8.153 -8.153 21 H LYS 4 HN LYS 4 -8.053 -7.500 -7.500 22 HA LYS 4 HA LYS 4 -5.767 -6.492 -6.492 23 1HB LYS 4 HB2 LYS 4 -8.647 -6.757 -6.757 24 2HB LYS 4 HB1 LYS 4 -7.437 -6.020 -6.020 25 1HG LYS 4 HG2 LYS 4 -6.857 -4.457 -4.457 26 2HG LYS 4 HG1 LYS 4 -8.221 -5.119 -5.119 27 1HD LYS 4 HD2 LYS 4 -9.791 -4.351 -4.351 28 2HD LYS 4 HD1 LYS 4 -8.495 -3.922 -3.922 29 1HE LYS 4 HE2 LYS 4 -9.380 -1.918 -1.918 30 2HE LYS 4 HE1 LYS 4 -7.696 -2.205 -2.205 31 1HZ LYS 4 HZ2 LYS 4 -9.112 -3.651 -3.651 32 2HZ LYS 4 HZ1 LYS 4 -10.032 -2.233 -2.233 33 3HZ LYS 4 HZ3 LYS 4 -8.400 -2.133 -2.133 34 H GLU 5 HN GLU 5 -8.081 -8.549 -8.549 35 HA GLU 5 HA GLU 5 -6.372 -9.413 -9.413 36 1HB GLU 5 HB2 GLU 5 -8.835 -9.879 -9.879 37 2HB GLU 5 HB1 GLU 5 -8.477 -11.146 -11.146 38 1HG GLU 5 HG2 GLU 5 -7.231 -12.410 -12.410 39 2HG GLU 5 HG1 GLU 5 -7.205 -11.068 -11.068 40 H PHE 6 HN PHE 6 -6.364 -10.447 -10.447 41 HA PHE 6 HA PHE 6 -4.859 -12.894 -12.894 42 1HB PHE 6 HB2 PHE 6 -6.389 -12.190 -12.190 43 2HB PHE 6 HB1 PHE 6 -4.868 -11.569 -11.569 44 HD1 PHE 6 HD2 PHE 6 -3.155 -13.790 -13.790 45 HD2 PHE 6 HD1 PHE 6 -6.583 -13.899 -13.899 46 HE1 PHE 6 HE2 PHE 6 -2.556 -16.083 -16.083 47 HE2 PHE 6 HE1 PHE 6 -5.978 -16.196 -16.196 48 HZ PHE 6 HZ PHE 6 -3.965 -17.291 -17.291 49 H MET 7 HN MET 7 -3.917 -9.931 -9.931 50 HA MET 7 HA MET 7 -1.119 -10.485 -10.485 51 1HB MET 7 HB2 MET 7 -0.885 -8.567 -8.567 52 2HB MET 7 HB1 MET 7 -2.643 -8.554 -8.554 53 1HG MET 7 HG2 MET 7 -2.616 -7.217 -7.217 54 2HG MET 7 HG1 MET 7 -0.862 -7.103 -7.103 55 1HE MET 7 HE3 MET 7 -4.159 -6.854 -6.854 56 2HE MET 7 HE2 MET 7 -4.225 -5.332 -5.332 57 3HE MET 7 HE1 MET 7 -3.587 -6.767 -6.767 58 H TRP 8 HN TRP 8 -3.377 -8.934 -8.934 59 HA TRP 8 HA TRP 8 -1.623 -7.650 -7.650 60 1HB TRP 8 HB2 TRP 8 -4.140 -7.688 -7.688 61 2HB TRP 8 HB1 TRP 8 -4.025 -9.323 -9.323 62 HD1 TRP 8 HD1 TRP 8 -2.910 -9.617 -9.617 63 HE1 TRP 8 HE1 TRP 8 -2.613 -7.961 -7.961 64 HE3 TRP 8 HE3 TRP 8 -3.730 -5.210 -5.210 65 HZ2 TRP 8 HZ2 TRP 8 -2.708 -5.141 -5.141 66 HZ3 TRP 8 HZ3 TRP 8 -3.621 -3.056 -3.056 67 HH2 TRP 8 HH2 TRP 8 -3.111 -3.015 -3.015 68 H ALA 9 HN ALA 9 -1.708 -10.896 -10.896 69 HA ALA 9 HA ALA 9 -0.753 -12.060 -12.060 70 1HB ALA 9 HB2 ALA 9 -0.729 -13.075 -13.075 71 2HB ALA 9 HB1 ALA 9 -0.212 -14.031 -14.031 72 3HB ALA 9 HB3 ALA 9 -1.888 -13.502 -13.502 73 H LEU 10 HN LEU 10 0.721 -11.167 -11.167 74 HA LEU 10 HA LEU 10 3.399 -11.808 -11.808 75 1HB LEU 10 HB2 LEU 10 2.448 -9.162 -9.162 76 2HB LEU 10 HB1 LEU 10 3.981 -9.949 -9.949 77 HG LEU 10 HG LEU 10 1.621 -11.618 -11.618 78 1HD1 LEU 10 HD12 LEU 10 0.851 -9.280 -9.280 79 2HD1 LEU 10 HD11 LEU 10 2.216 -9.197 -9.197 80 3HD1 LEU 10 HD13 LEU 10 0.947 -10.396 -10.396 81 1HD2 LEU 10 HD23 LEU 10 4.055 -12.068 -12.068 82 2HD2 LEU 10 HD22 LEU 10 2.945 -12.152 -12.152 83 3HD2 LEU 10 HD21 LEU 10 3.954 -10.724 -10.724 84 H LYS 11 HN LYS 11 1.414 -9.342 -9.342 85 HA LYS 11 HA LYS 11 3.596 -7.880 -7.880 86 1HB LYS 11 HB2 LYS 11 1.810 -6.587 -6.587 87 2HB LYS 11 HB1 LYS 11 0.599 -7.579 -7.579 88 1HG LYS 11 HG2 LYS 11 1.184 -6.714 -6.714 89 2HG LYS 11 HG1 LYS 11 2.664 -5.978 -5.978 90 1HD LYS 11 HD2 LYS 11 1.457 -4.345 -4.345 91 2HD LYS 11 HD1 LYS 11 -0.063 -5.219 -5.219 92 1HE LYS 11 HE2 LYS 11 -0.113 -3.375 -3.375 93 2HE LYS 11 HE1 LYS 11 0.136 -4.843 -4.843 94 1HZ LYS 11 HZ1 LYS 11 2.623 -3.830 -3.830 95 2HZ LYS 11 HZ3 LYS 11 1.753 -2.588 -2.588 96 3HZ LYS 11 HZ2 LYS 11 2.047 -4.044 -4.044 97 H ASN 12 HN ASN 12 0.526 -9.136 -9.136 98 HA ASN 12 HA ASN 12 1.545 -9.105 -9.105 99 1HB ASN 12 HB2 ASN 12 -0.850 -8.827 -8.827 100 2HB ASN 12 HB1 ASN 12 -0.900 -10.550 -10.550 101 1HD2 ASN 12 HD21 ASN 12 -0.395 -8.204 -8.204 102 2HD2 ASN 12 HD22 ASN 12 -0.754 -9.297 -9.297 103 H GLY 13 HN GLY 13 2.974 -10.831 -10.831 104 1HA GLY 13 HA2 GLY 13 4.036 -12.906 -12.906 105 2HA GLY 13 HA1 GLY 13 3.728 -12.887 -12.887 106 H ASP 14 HN ASP 14 0.837 -12.806 -12.806 107 HA ASP 14 HA ASP 14 0.105 -15.420 -15.420 108 1HB ASP 14 HB2 ASP 14 -1.341 -14.234 -14.234 109 2HB ASP 14 HB1 ASP 14 -1.957 -15.075 -15.075 110 H LEU 15 HN LEU 15 2.371 -15.789 -15.789 111 HA LEU 15 HA LEU 15 2.947 -16.328 -16.328 112 1HB LEU 15 HB2 LEU 15 4.464 -16.553 -16.553 113 2HB LEU 15 HB1 LEU 15 3.590 -17.979 -17.979 114 HG LEU 15 HG LEU 15 5.804 -18.292 -18.292 115 1HD1 LEU 15 HD12 LEU 15 3.818 -19.962 -19.962 116 2HD1 LEU 15 HD11 LEU 15 3.591 -19.802 -19.802 117 3HD1 LEU 15 HD13 LEU 15 5.122 -20.387 -20.387 118 1HD2 LEU 15 HD21 LEU 15 5.048 -16.625 -16.625 119 2HD2 LEU 15 HD23 LEU 15 5.807 -18.119 -18.119 120 3HD2 LEU 15 HD22 LEU 15 4.056 -17.942 -17.942 121 H ASP 16 HN ASP 16 0.777 -18.085 -18.085 122 HA ASP 16 HA ASP 16 0.534 -20.492 -20.492 123 1HB ASP 16 HB2 ASP 16 -1.539 -19.020 -19.020 124 2HB ASP 16 HB1 ASP 16 -1.618 -20.713 -20.713 125 H GLU 17 HN GLU 17 -0.928 -17.307 -17.307 126 HA GLU 17 HA GLU 17 -2.902 -18.180 -18.180 127 1HB GLU 17 HB2 GLU 17 -2.357 -15.822 -15.822 128 2HB GLU 17 HB1 GLU 17 -2.237 -15.376 -15.376 129 1HG GLU 17 HG2 GLU 17 -4.539 -15.082 -15.082 130 2HG GLU 17 HG1 GLU 17 -4.469 -16.568 -16.568 131 H VAL 18 HN VAL 18 0.174 -16.353 -16.353 132 HA VAL 18 HA VAL 18 0.086 -16.259 -16.259 133 HB VAL 18 HB VAL 18 2.751 -16.173 -16.173 134 1HG1 VAL 18 HG13 VAL 18 0.782 -13.970 -13.970 135 2HG1 VAL 18 HG12 VAL 18 2.488 -13.739 -13.739 136 3HG1 VAL 18 HG11 VAL 18 1.381 -14.313 -14.313 137 1HG2 VAL 18 HG22 VAL 18 2.086 -16.836 -16.836 138 2HG2 VAL 18 HG21 VAL 18 3.261 -15.552 -15.552 139 3HG2 VAL 18 HG23 VAL 18 1.596 -15.151 -15.151 140 H LYS 19 HN LYS 19 0.999 -18.661 -18.661 141 HA LYS 19 HA LYS 19 2.614 -20.381 -20.381 142 1HB LYS 19 HB2 LYS 19 2.273 -20.539 -20.539 143 2HB LYS 19 HB1 LYS 19 0.644 -21.124 -21.124 144 1HG LYS 19 HG2 LYS 19 1.368 -23.183 -23.183 145 2HG LYS 19 HG1 LYS 19 2.909 -22.551 -22.551 146 1HD LYS 19 HD2 LYS 19 2.345 -22.469 -22.469 147 2HD LYS 19 HD1 LYS 19 2.804 -24.007 -24.007 148 1HE LYS 19 HE2 LYS 19 4.869 -23.067 -23.067 149 2HE LYS 19 HE1 LYS 19 4.391 -21.445 -21.445 150 1HZ LYS 19 HZ3 LYS 19 4.736 -23.715 -23.715 151 2HZ LYS 19 HZ2 LYS 19 5.943 -22.563 -22.563 152 3HZ LYS 19 HZ1 LYS 19 4.482 -22.086 -22.086 153 H ASP 20 HN ASP 20 -0.808 -19.810 -19.810 154 HA ASP 20 HA ASP 20 -1.634 -22.164 -22.164 155 1HB ASP 20 HB2 ASP 20 -3.089 -20.620 -20.620 156 2HB ASP 20 HB1 ASP 20 -3.117 -19.533 -19.533 157 H TYR 21 HN TYR 21 -0.807 -18.833 -18.833 158 HA TYR 21 HA TYR 21 -1.600 -19.017 -19.017 159 1HB TYR 21 HB2 TYR 21 0.153 -17.264 -17.264 160 2HB TYR 21 HB1 TYR 21 0.572 -17.338 -17.338 161 HD1 TYR 21 HD2 TYR 21 -1.658 -17.352 -17.352 162 HD2 TYR 21 HD1 TYR 21 -1.336 -15.580 -15.580 163 HE1 TYR 21 HE2 TYR 21 -3.538 -15.825 -15.825 164 HE2 TYR 21 HE1 TYR 21 -3.211 -14.048 -14.048 165 HH TYR 21 HH TYR 21 -5.363 -14.449 -14.449 166 H VAL 22 HN VAL 22 1.745 -19.319 -19.319 167 HA VAL 22 HA VAL 22 2.827 -20.309 -20.309 168 HB VAL 22 HB VAL 22 4.199 -19.303 -19.303 169 1HG1 VAL 22 HG13 VAL 22 2.907 -20.430 -20.430 170 2HG1 VAL 22 HG12 VAL 22 3.771 -21.917 -21.917 171 3HG1 VAL 22 HG11 VAL 22 4.659 -20.503 -20.503 172 1HG2 VAL 22 HG22 VAL 22 5.089 -20.987 -20.987 173 2HG2 VAL 22 HG21 VAL 22 6.076 -20.745 -20.745 174 3HG2 VAL 22 HG23 VAL 22 5.052 -22.174 -22.174 175 H ALA 23 HN ALA 23 1.031 -21.904 -21.904 176 HA ALA 23 HA ALA 23 2.003 -24.557 -24.557 177 1HB ALA 23 HB3 ALA 23 -0.786 -23.559 -23.559 178 2HB ALA 23 HB2 ALA 23 -0.289 -25.246 -25.246 179 3HB ALA 23 HB1 ALA 23 0.459 -24.030 -24.030 180 H LYS 24 HN LYS 24 -0.144 -22.567 -22.567 181 HA LYS 24 HA LYS 24 -1.358 -24.520 -24.520 182 1HB LYS 24 HB2 LYS 24 -0.547 -21.656 -21.656 183 2HB LYS 24 HB1 LYS 24 -1.254 -22.591 -22.591 184 1HG LYS 24 HG2 LYS 24 -2.632 -22.604 -22.604 185 2HG LYS 24 HG1 LYS 24 -2.797 -21.181 -21.181 186 1HD LYS 24 HD2 LYS 24 -3.803 -22.410 -22.410 187 2HD LYS 24 HD1 LYS 24 -3.257 -23.954 -23.954 188 1HE LYS 24 HE2 LYS 24 -4.859 -23.924 -23.924 189 2HE LYS 24 HE1 LYS 24 -5.128 -22.188 -22.188 190 1HZ LYS 24 HZ2 LYS 24 -5.999 -22.699 -22.699 191 2HZ LYS 24 HZ1 LYS 24 -6.003 -24.338 -24.338 192 3HZ LYS 24 HZ3 LYS 24 -6.967 -23.227 -23.227 193 H GLY 25 HN GLY 25 1.127 -22.434 -22.434 194 1HA GLY 25 HA2 GLY 25 2.872 -24.683 -24.683 195 2HA GLY 25 HA1 GLY 25 2.020 -24.039 -24.039 196 H GLU 26 HN GLU 26 4.424 -23.372 -23.372 197 HA GLU 26 HA GLU 26 5.853 -21.503 -21.503 198 1HB GLU 26 HB2 GLU 26 7.255 -21.242 -21.242 199 2HB GLU 26 HB1 GLU 26 7.261 -22.800 -22.800 200 1HG GLU 26 HG2 GLU 26 5.599 -23.674 -23.674 201 2HG GLU 26 HG1 GLU 26 5.469 -22.097 -22.097 202 H ASP 27 HN ASP 27 3.798 -20.080 -20.080 203 HA ASP 27 HA ASP 27 3.827 -18.131 -18.131 204 1HB ASP 27 HB2 ASP 27 1.691 -18.505 -18.505 205 2HB ASP 27 HB1 ASP 27 1.589 -17.491 -17.491 206 H VAL 28 HN VAL 28 5.845 -18.130 -18.130 207 HA VAL 28 HA VAL 28 5.088 -16.049 -16.049 208 HB VAL 28 HB VAL 28 7.515 -16.247 -16.247 209 1HG1 VAL 28 HG13 VAL 28 5.860 -18.785 -18.785 210 2HG1 VAL 28 HG12 VAL 28 7.179 -18.494 -18.494 211 3HG1 VAL 28 HG11 VAL 28 5.705 -17.529 -17.529 212 1HG2 VAL 28 HG22 VAL 28 8.141 -17.103 -17.103 213 2HG2 VAL 28 HG21 VAL 28 8.904 -17.885 -17.885 214 3HG2 VAL 28 HG23 VAL 28 7.554 -18.668 -18.668 215 H ASN 29 HN ASN 29 4.557 -14.760 -14.760 216 HA ASN 29 HA ASN 29 6.363 -12.584 -12.584 217 1HB ASN 29 HB2 ASN 29 6.710 -12.989 -12.989 218 2HB ASN 29 HB1 ASN 29 7.811 -13.741 -13.741 219 1HD2 ASN 29 HD21 ASN 29 7.306 -16.064 -16.064 220 2HD2 ASN 29 HD22 ASN 29 6.510 -17.036 -17.036 221 H ARG 30 HN ARG 30 3.730 -12.793 -12.793 222 HA ARG 30 HA ARG 30 2.223 -12.007 -12.007 223 1HB ARG 30 HB2 ARG 30 1.326 -12.928 -12.928 224 2HB ARG 30 HB1 ARG 30 0.219 -12.305 -12.305 225 1HG ARG 30 HG2 ARG 30 1.060 -14.073 -14.073 226 2HG ARG 30 HG1 ARG 30 2.008 -14.740 -14.740 227 1HD ARG 30 HD2 ARG 30 0.096 -15.347 -15.347 228 2HD ARG 30 HD1 ARG 30 -0.959 -14.278 -14.278 229 HE ARG 30 HE ARG 30 -0.332 -17.029 -17.029 230 1HH1 ARG 30 HH21 ARG 30 -0.710 -13.958 -13.958 231 2HH1 ARG 30 HH22 ARG 30 -0.975 -14.642 -14.642 232 1HH2 ARG 30 HH11 ARG 30 -0.670 -17.920 -17.920 233 2HH2 ARG 30 HH12 ARG 30 -0.945 -16.881 -16.881 234 H THR 31 HN THR 31 2.294 -9.817 -9.817 235 HA THR 31 HA THR 31 2.836 -7.892 -7.892 236 HB THR 31 HB THR 31 1.324 -7.677 -7.677 237 HG1 THR 31 HG1 THR 31 3.823 -8.006 -8.006 238 1HG2 THR 31 HG21 THR 31 1.982 -5.640 -5.640 239 2HG2 THR 31 HG23 THR 31 2.045 -5.169 -5.169 240 3HG2 THR 31 HG22 THR 31 0.544 -5.780 -5.780 241 H LEU 32 HN LEU 32 1.544 -8.322 -8.322 242 HA LEU 32 HA LEU 32 -1.332 -8.574 -8.574 243 1HB LEU 32 HB2 LEU 32 -1.421 -8.664 -8.664 244 2HB LEU 32 HB1 LEU 32 -0.178 -9.738 -9.738 245 HG LEU 32 HG LEU 32 0.684 -8.630 -8.630 246 1HD1 LEU 32 HD13 LEU 32 2.174 -8.854 -8.854 247 2HD1 LEU 32 HD12 LEU 32 1.946 -7.115 -7.115 248 3HD1 LEU 32 HD11 LEU 32 2.700 -7.731 -7.731 249 1HD2 LEU 32 HD22 LEU 32 -0.966 -6.549 -6.549 250 2HD2 LEU 32 HD21 LEU 32 0.352 -6.463 -6.463 251 3HD2 LEU 32 HD23 LEU 32 0.593 -5.878 -5.878 252 H GLU 33 HN GLU 33 0.830 -5.896 -5.896 253 HA GLU 33 HA GLU 33 -1.318 -4.100 -4.100 254 1HB GLU 33 HB2 GLU 33 0.993 -3.651 -3.651 255 2HB GLU 33 HB1 GLU 33 1.488 -3.468 -3.468 256 1HG GLU 33 HG2 GLU 33 0.175 -1.509 -1.509 257 2HG GLU 33 HG1 GLU 33 -0.738 -1.808 -1.808 258 H GLY 34 HN GLY 34 0.884 -3.367 -3.367 259 1HA GLY 34 HA2 GLY 34 -1.158 -3.576 -3.576 260 2HA GLY 34 HA1 GLY 34 -0.839 -1.906 -1.906 261 H GLY 35 HN GLY 35 1.985 -2.756 -2.756 262 1HA GLY 35 HA2 GLY 35 3.199 -3.513 -3.513 263 2HA GLY 35 HA1 GLY 35 3.431 -1.813 -1.813 264 H ARG 36 HN ARG 36 3.164 -4.302 -4.302 265 HA ARG 36 HA ARG 36 6.081 -3.979 -3.979 266 1HB ARG 36 HB2 ARG 36 3.856 -4.317 -4.317 267 2HB ARG 36 HB1 ARG 36 5.541 -3.902 -3.902 268 1HG ARG 36 HG2 ARG 36 5.069 -1.856 -1.856 269 2HG ARG 36 HG1 ARG 36 3.374 -2.203 -2.203 270 1HD ARG 36 HD2 ARG 36 3.984 -2.170 -2.170 271 2HD ARG 36 HD1 ARG 36 5.549 -1.517 -1.517 272 HE ARG 36 HE ARG 36 3.097 -0.046 -0.046 273 1HH1 ARG 36 HH21 ARG 36 5.786 -0.400 -0.400 274 2HH1 ARG 36 HH22 ARG 36 5.504 1.109 1.109 275 1HH2 ARG 36 HH11 ARG 36 2.721 1.909 1.909 276 2HH2 ARG 36 HH12 ARG 36 3.772 2.412 2.412 277 H LYS 37 HN LYS 37 6.202 -5.821 -5.821 278 HA LYS 37 HA LYS 37 5.252 -8.407 -8.407 279 1HB LYS 37 HB2 LYS 37 7.725 -9.083 -9.083 280 2HB LYS 37 HB1 LYS 37 7.399 -8.784 -8.784 281 1HG LYS 37 HG2 LYS 37 9.305 -7.441 -7.441 282 2HG LYS 37 HG1 LYS 37 7.945 -6.347 -6.347 283 1HD LYS 37 HD2 LYS 37 7.539 -6.554 -6.554 284 2HD LYS 37 HD1 LYS 37 9.111 -7.343 -7.343 285 1HE LYS 37 HE2 LYS 37 8.445 -4.493 -4.493 286 2HE LYS 37 HE1 LYS 37 9.745 -5.147 -5.147 287 1HZ LYS 37 HZ1 LYS 37 9.638 -5.448 -5.448 288 2HZ LYS 37 HZ3 LYS 37 10.457 -4.184 -4.184 289 3HZ LYS 37 HZ2 LYS 37 10.944 -5.792 -5.792 290 HA PRO 38 HA PRO 38 4.336 -9.234 -9.234 291 1HB PRO 38 HB2 PRO 38 4.745 -11.984 -11.984 292 2HB PRO 38 HB1 PRO 38 3.320 -11.210 -11.210 293 1HG PRO 38 HG2 PRO 38 5.537 -12.601 -12.601 294 2HG PRO 38 HG1 PRO 38 3.934 -12.182 -12.182 295 1HD PRO 38 HD2 PRO 38 6.420 -10.847 -10.847 296 2HD PRO 38 HD1 PRO 38 4.798 -10.379 -10.379 297 H LEU 39 HN LEU 39 7.366 -8.786 -8.786 298 HA LEU 39 HA LEU 39 8.484 -10.328 -10.328 299 1HB LEU 39 HB2 LEU 39 9.518 -10.470 -10.470 300 2HB LEU 39 HB1 LEU 39 10.068 -8.829 -8.829 301 HG LEU 39 HG LEU 39 11.721 -9.477 -9.477 302 1HD1 LEU 39 HD13 LEU 39 10.008 -11.828 -11.828 303 2HD1 LEU 39 HD12 LEU 39 11.625 -11.488 -11.488 304 3HD1 LEU 39 HD11 LEU 39 10.308 -10.361 -10.361 305 1HD2 LEU 39 HD22 LEU 39 11.786 -10.875 -10.875 306 2HD2 LEU 39 HD21 LEU 39 12.826 -11.380 -11.380 307 3HD2 LEU 39 HD23 LEU 39 11.312 -12.229 -12.229 308 H HIS 40 HN HIS 40 7.719 -7.134 -7.134 309 HA HIS 40 HA HIS 40 9.534 -5.663 -5.663 310 1HB HIS 40 HB2 HIS 40 8.377 -4.714 -4.714 311 2HB HIS 40 HB1 HIS 40 6.858 -4.779 -4.779 312 HD1 HIS 40 HD1 HIS 40 9.254 -4.007 -4.007 313 HD2 HIS 40 HD2 HIS 40 7.469 -1.775 -1.775 314 HE1 HIS 40 HE1 HIS 40 9.538 -1.573 -1.573 315 H TYR 41 HN TYR 41 6.083 -6.534 -6.534 316 HA TYR 41 HA TYR 41 5.797 -5.365 -5.365 317 1HB TYR 41 HB2 TYR 41 4.168 -7.688 -7.688 318 2HB TYR 41 HB1 TYR 41 3.654 -6.343 -6.343 319 HD1 TYR 41 HD1 TYR 41 4.698 -7.293 -7.293 320 HD2 TYR 41 HD2 TYR 41 2.972 -4.258 -4.258 321 HE1 TYR 41 HE1 TYR 41 4.066 -5.994 -5.994 322 HE2 TYR 41 HE2 TYR 41 2.336 -2.966 -2.966 323 HH TYR 41 HH TYR 41 3.171 -4.132 -4.132 324 H ALA 42 HN ALA 42 6.607 -8.569 -8.569 325 HA ALA 42 HA ALA 42 6.677 -9.898 -9.898 326 1HB ALA 42 HB2 ALA 42 6.668 -10.955 -10.955 327 2HB ALA 42 HB1 ALA 42 8.385 -10.567 -10.567 328 3HB ALA 42 HB3 ALA 42 7.768 -11.675 -11.675 329 H ALA 43 HN ALA 43 9.309 -8.760 -8.760 330 HA ALA 43 HA ALA 43 11.426 -8.962 -8.962 331 1HB ALA 43 HB3 ALA 43 10.928 -6.790 -6.790 332 2HB ALA 43 HB2 ALA 43 12.491 -7.165 -7.165 333 3HB ALA 43 HB1 ALA 43 11.698 -8.343 -8.343 334 H ASP 44 HN ASP 44 9.491 -6.044 -6.044 335 HA ASP 44 HA ASP 44 10.441 -4.431 -4.431 336 1HB ASP 44 HB2 ASP 44 9.081 -3.631 -3.631 337 2HB ASP 44 HB1 ASP 44 7.670 -4.417 -4.417 338 H CYS 45 HN CYS 45 7.902 -6.902 -6.902 339 HA CYS 45 HA CYS 45 8.005 -6.914 -6.914 340 1HB CYS 45 HB2 CYS 45 5.262 -6.535 -6.535 341 2HB CYS 45 HB1 CYS 45 6.391 -5.354 -5.354 342 HG CYS 45 HG CYS 45 6.710 -4.551 -4.551 343 H GLY 46 HN GLY 46 8.623 -9.040 -9.040 344 1HA GLY 46 HA2 GLY 46 6.151 -10.709 -10.709 345 2HA GLY 46 HA1 GLY 46 7.693 -11.042 -11.042 346 H GLN 47 HN GLN 47 7.548 -10.052 -10.052 347 HA GLN 47 HA GLN 47 8.353 -11.198 -11.198 348 1HB GLN 47 HB2 GLN 47 6.738 -13.305 -13.305 349 2HB GLN 47 HB1 GLN 47 7.599 -13.693 -13.693 350 1HG GLN 47 HG2 GLN 47 5.213 -12.985 -12.985 351 2HG GLN 47 HG1 GLN 47 6.384 -11.991 -11.991 352 1HE2 GLN 47 HE21 GLN 47 5.473 -11.883 -11.883 353 2HE2 GLN 47 HE22 GLN 47 4.942 -10.271 -10.271 354 H LEU 48 HN LEU 48 9.547 -11.320 -11.320 355 HA LEU 48 HA LEU 48 11.535 -11.932 -11.932 356 1HB LEU 48 HB2 LEU 48 12.114 -12.697 -12.697 357 2HB LEU 48 HB1 LEU 48 13.291 -12.881 -12.881 358 HG LEU 48 HG LEU 48 13.878 -10.735 -10.735 359 1HD1 LEU 48 HD12 LEU 48 10.999 -10.070 -10.070 360 2HD1 LEU 48 HD11 LEU 48 12.284 -8.886 -8.886 361 3HD1 LEU 48 HD13 LEU 48 12.346 -10.126 -10.126 362 1HD2 LEU 48 HD21 LEU 48 11.542 -10.537 -10.537 363 2HD2 LEU 48 HD23 LEU 48 13.213 -10.913 -10.913 364 3HD2 LEU 48 HD22 LEU 48 12.795 -9.308 -9.308 365 H GLU 49 HN GLU 49 9.315 -14.070 -14.070 366 HA GLU 49 HA GLU 49 10.834 -16.481 -16.481 367 1HB GLU 49 HB2 GLU 49 7.935 -16.466 -16.466 368 2HB GLU 49 HB1 GLU 49 9.112 -17.752 -17.752 369 1HG GLU 49 HG2 GLU 49 10.312 -16.268 -16.268 370 2HG GLU 49 HG1 GLU 49 8.899 -15.216 -15.216 371 H ILE 50 HN ILE 50 8.182 -14.399 -14.399 372 HA ILE 50 HA ILE 50 7.182 -15.872 -15.872 373 HB ILE 50 HB ILE 50 7.209 -12.880 -12.880 374 1HG1 ILE 50 HG12 ILE 50 5.921 -14.998 -14.998 375 2HG1 ILE 50 HG11 ILE 50 6.018 -13.281 -13.281 376 1HG2 ILE 50 HG23 ILE 50 6.568 -13.668 -13.668 377 2HG2 ILE 50 HG22 ILE 50 5.333 -14.692 -14.692 378 3HG2 ILE 50 HG21 ILE 50 5.201 -12.944 -12.944 379 1HD1 ILE 50 HD11 ILE 50 4.071 -14.379 -14.379 380 2HD1 ILE 50 HD13 ILE 50 3.681 -14.274 -14.274 381 3HD1 ILE 50 HD12 ILE 50 4.043 -12.817 -12.817 382 H LEU 51 HN LEU 51 9.740 -13.400 -13.400 383 HA LEU 51 HA LEU 51 10.003 -13.289 -13.289 384 1HB LEU 51 HB2 LEU 51 12.526 -12.617 -12.617 385 2HB LEU 51 HB1 LEU 51 11.187 -11.492 -11.492 386 HG LEU 51 HG LEU 51 12.416 -11.238 -11.238 387 1HD1 LEU 51 HD11 LEU 51 9.645 -11.523 -11.523 388 2HD1 LEU 51 HD13 LEU 51 10.073 -12.382 -12.382 389 3HD1 LEU 51 HD12 LEU 51 10.527 -10.696 -10.696 390 1HD2 LEU 51 HD23 LEU 51 13.070 -13.721 -13.721 391 2HD2 LEU 51 HD22 LEU 51 12.745 -12.964 -12.964 392 3HD2 LEU 51 HD21 LEU 51 11.527 -13.997 -13.997 393 H GLU 52 HN GLU 52 12.243 -15.059 -15.059 394 HA GLU 52 HA GLU 52 13.525 -16.366 -16.366 395 1HB GLU 52 HB2 GLU 52 13.847 -18.303 -18.303 396 2HB GLU 52 HB1 GLU 52 14.824 -16.848 -16.848 397 1HG GLU 52 HG2 GLU 52 14.194 -16.967 -16.967 398 2HG GLU 52 HG1 GLU 52 12.992 -15.862 -15.862 399 H PHE 53 HN PHE 53 10.404 -16.882 -16.882 400 HA PHE 53 HA PHE 53 10.042 -19.607 -19.607 401 1HB PHE 53 HB2 PHE 53 8.469 -18.632 -18.632 402 2HB PHE 53 HB1 PHE 53 8.053 -17.370 -17.370 403 HD1 PHE 53 HD1 PHE 53 8.284 -21.118 -21.118 404 HD2 PHE 53 HD2 PHE 53 6.087 -17.668 -17.668 405 HE1 PHE 53 HE1 PHE 53 6.577 -22.594 -22.594 406 HE2 PHE 53 HE2 PHE 53 4.381 -19.139 -19.139 407 HZ PHE 53 HZ PHE 53 4.623 -21.608 -21.608 408 H LEU 54 HN LEU 54 8.066 -17.136 -17.136 409 HA LEU 54 HA LEU 54 7.803 -18.612 -18.612 410 1HB LEU 54 HB2 LEU 54 7.328 -16.145 -16.145 411 2HB LEU 54 HB1 LEU 54 6.186 -17.003 -17.003 412 HG LEU 54 HG LEU 54 6.988 -15.833 -15.833 413 1HD1 LEU 54 HD12 LEU 54 9.030 -14.768 -14.768 414 2HD1 LEU 54 HD11 LEU 54 8.609 -13.857 -13.857 415 3HD1 LEU 54 HD13 LEU 54 9.292 -15.472 -15.472 416 1HD2 LEU 54 HD22 LEU 54 5.257 -14.786 -14.786 417 2HD2 LEU 54 HD21 LEU 54 6.170 -13.617 -13.617 418 3HD2 LEU 54 HD23 LEU 54 6.555 -13.857 -13.857 419 H LEU 55 HN LEU 55 10.454 -16.664 -16.664 420 HA LEU 55 HA LEU 55 11.522 -16.109 -16.109 421 1HB LEU 55 HB2 LEU 55 12.060 -14.970 -14.970 422 2HB LEU 55 HB1 LEU 55 13.141 -16.329 -16.329 423 HG LEU 55 HG LEU 55 13.277 -14.441 -14.441 424 1HD1 LEU 55 HD11 LEU 55 14.626 -14.542 -14.542 425 2HD1 LEU 55 HD13 LEU 55 15.536 -13.943 -13.943 426 3HD1 LEU 55 HD12 LEU 55 14.043 -13.145 -13.145 427 1HD2 LEU 55 HD22 LEU 55 14.749 -16.924 -16.924 428 2HD2 LEU 55 HD21 LEU 55 14.339 -16.340 -16.340 429 3HD2 LEU 55 HD23 LEU 55 15.686 -15.624 -15.624 430 H LEU 56 HN LEU 56 12.011 -18.714 -18.714 431 HA LEU 56 HA LEU 56 14.159 -19.972 -19.972 432 1HB LEU 56 HB2 LEU 56 13.937 -21.815 -21.815 433 2HB LEU 56 HB1 LEU 56 13.381 -20.453 -20.453 434 HG LEU 56 HG LEU 56 11.022 -21.214 -21.214 435 1HD1 LEU 56 HD13 LEU 56 12.751 -23.696 -23.696 436 2HD1 LEU 56 HD12 LEU 56 10.992 -23.742 -23.742 437 3HD1 LEU 56 HD11 LEU 56 11.883 -23.137 -23.137 438 1HD2 LEU 56 HD22 LEU 56 11.685 -20.926 -20.926 439 2HD2 LEU 56 HD21 LEU 56 10.519 -22.211 -22.211 440 3HD2 LEU 56 HD23 LEU 56 12.214 -22.607 -22.607 441 H LYS 57 HN LYS 57 10.658 -20.275 -20.275 442 HA LYS 57 HA LYS 57 10.811 -22.457 -22.457 443 1HB LYS 57 HB2 LYS 57 8.751 -20.441 -20.441 444 2HB LYS 57 HB1 LYS 57 8.597 -21.089 -21.089 445 1HG LYS 57 HG2 LYS 57 7.354 -22.648 -22.648 446 2HG LYS 57 HG1 LYS 57 8.935 -23.418 -23.418 447 1HD LYS 57 HD2 LYS 57 9.364 -22.534 -22.534 448 2HD LYS 57 HD1 LYS 57 7.857 -21.620 -21.620 449 1HE LYS 57 HE2 LYS 57 6.567 -23.705 -23.705 450 2HE LYS 57 HE1 LYS 57 8.059 -24.644 -24.644 451 1HZ LYS 57 HZ3 LYS 57 8.473 -23.234 -23.234 452 2HZ LYS 57 HZ2 LYS 57 6.775 -23.244 -23.244 453 3HZ LYS 57 HZ1 LYS 57 7.634 -24.709 -24.709 454 H GLY 58 HN GLY 58 9.403 -19.585 -19.585 455 1HA GLY 58 HA2 GLY 58 11.251 -19.603 -19.603 456 2HA GLY 58 HA1 GLY 58 10.013 -18.376 -18.376 457 H ALA 59 HN ALA 59 11.058 -16.377 -16.377 458 HA ALA 59 HA ALA 59 12.665 -15.820 -15.820 459 1HB ALA 59 HB3 ALA 59 14.236 -16.687 -16.687 460 2HB ALA 59 HB2 ALA 59 14.907 -15.487 -15.487 461 3HB ALA 59 HB1 ALA 59 14.490 -17.088 -17.088 462 H ASP 60 HN ASP 60 11.309 -13.979 -13.979 463 HA ASP 60 HA ASP 60 11.556 -12.106 -12.106 464 1HB ASP 60 HB2 ASP 60 9.434 -12.298 -12.298 465 2HB ASP 60 HB1 ASP 60 10.255 -11.847 -11.847 466 H ILE 61 HN ILE 61 13.633 -13.090 -13.090 467 HA ILE 61 HA ILE 61 14.629 -10.924 -10.924 468 HB ILE 61 HB ILE 61 15.328 -13.345 -13.345 469 1HG1 ILE 61 HG12 ILE 61 17.503 -11.253 -11.253 470 2HG1 ILE 61 HG11 ILE 61 16.686 -11.670 -11.670 471 1HG2 ILE 61 HG22 ILE 61 15.590 -13.359 -13.359 472 2HG2 ILE 61 HG21 ILE 61 17.182 -12.667 -12.667 473 3HG2 ILE 61 HG23 ILE 61 16.775 -14.258 -14.258 474 1HD1 ILE 61 HD13 ILE 61 17.617 -14.126 -14.126 475 2HD1 ILE 61 HD12 ILE 61 18.915 -13.003 -13.003 476 3HD1 ILE 61 HD11 ILE 61 18.359 -13.153 -13.153 477 H ASN 62 HN ASN 62 14.912 -11.632 -11.632 478 HA ASN 62 HA ASN 62 16.535 -9.163 -9.163 479 1HB ASN 62 HB2 ASN 62 17.792 -10.318 -10.318 480 2HB ASN 62 HB1 ASN 62 17.987 -11.163 -11.163 481 1HD2 ASN 62 HD21 ASN 62 15.367 -12.435 -12.435 482 2HD2 ASN 62 HD22 ASN 62 15.360 -13.609 -13.609 483 H ALA 63 HN ALA 63 14.164 -11.388 -11.388 484 HA ALA 63 HA ALA 63 13.461 -10.799 -10.799 485 1HB ALA 63 HB3 ALA 63 11.967 -11.970 -11.970 486 2HB ALA 63 HB2 ALA 63 11.476 -10.431 -10.431 487 3HB ALA 63 HB1 ALA 63 11.095 -10.801 -10.801 488 HA PRO 64 HA PRO 64 11.429 -6.290 -6.290 489 1HB PRO 64 HB2 PRO 64 14.244 -5.782 -5.782 490 2HB PRO 64 HB1 PRO 64 12.736 -5.068 -5.068 491 1HG PRO 64 HG2 PRO 64 14.094 -7.284 -7.284 492 2HG PRO 64 HG1 PRO 64 12.440 -6.776 -6.776 493 1HD PRO 64 HD2 PRO 64 13.140 -9.209 -9.209 494 2HD PRO 64 HD1 PRO 64 11.521 -8.491 -8.491 495 H ASP 65 HN ASP 65 11.351 -4.952 -4.952 496 HA ASP 65 HA ASP 65 13.641 -4.688 -4.688 497 1HB ASP 65 HB2 ASP 65 10.797 -5.502 -5.502 498 2HB ASP 65 HB1 ASP 65 11.857 -4.789 -4.789 499 H LYS 66 HN LYS 66 10.347 -3.555 -3.555 500 HA LYS 66 HA LYS 66 10.898 -0.892 -0.892 501 1HB LYS 66 HB2 LYS 66 8.673 -2.212 -2.212 502 2HB LYS 66 HB1 LYS 66 8.490 -1.721 -1.721 503 1HG LYS 66 HG2 LYS 66 7.472 0.051 0.051 504 2HG LYS 66 HG1 LYS 66 9.116 0.664 0.664 505 1HD LYS 66 HD2 LYS 66 9.347 -0.466 -0.466 506 2HD LYS 66 HD1 LYS 66 7.585 -0.559 -0.559 507 1HE LYS 66 HE2 LYS 66 7.514 1.912 1.912 508 2HE LYS 66 HE1 LYS 66 9.266 1.954 1.954 509 1HZ LYS 66 HZ1 LYS 66 8.960 0.980 0.980 510 2HZ LYS 66 HZ3 LYS 66 7.279 1.097 1.097 511 3HZ LYS 66 HZ2 LYS 66 8.229 2.505 2.505 512 H HIS 67 HN HIS 67 11.095 -2.537 -2.537 513 HA HIS 67 HA HIS 67 10.859 -0.146 -0.146 514 1HB HIS 67 HB2 HIS 67 11.571 -3.035 -3.035 515 2HB HIS 67 HB1 HIS 67 11.810 -1.841 -1.841 516 HD1 HIS 67 HD1 HIS 67 9.880 -2.678 -2.678 517 HD2 HIS 67 HD2 HIS 67 8.669 -1.663 -1.663 518 HE1 HIS 67 HE1 HIS 67 7.350 -2.634 -2.634 519 H HIS 68 HN HIS 68 13.299 -1.457 -1.457 520 HA HIS 68 HA HIS 68 15.633 -1.109 -1.109 521 1HB HIS 68 HB2 HIS 68 14.599 1.224 1.224 522 2HB HIS 68 HB1 HIS 68 14.955 1.478 1.478 523 HD1 HIS 68 HD1 HIS 68 17.652 -0.492 -0.492 524 HD2 HIS 68 HD2 HIS 68 16.691 3.303 3.303 525 HE1 HIS 68 HE1 HIS 68 19.829 0.565 0.565 526 H ILE 69 HN ILE 69 14.325 -2.259 -2.259 527 HA ILE 69 HA ILE 69 16.780 -2.147 -2.147 528 HB ILE 69 HB ILE 69 14.720 -0.362 -0.362 529 1HG1 ILE 69 HG12 ILE 69 17.119 -0.170 -0.170 530 2HG1 ILE 69 HG11 ILE 69 16.124 0.090 0.090 531 1HG2 ILE 69 HG22 ILE 69 13.429 -2.264 -2.264 532 2HG2 ILE 69 HG21 ILE 69 14.775 -2.616 -2.616 533 3HG2 ILE 69 HG23 ILE 69 13.904 -1.092 -1.092 534 1HD1 ILE 69 HD12 ILE 69 16.481 -2.509 -2.509 535 2HD1 ILE 69 HD11 ILE 69 17.886 -2.247 -2.247 536 3HD1 ILE 69 HD13 ILE 69 17.721 -1.375 -1.375 537 H THR 70 HN THR 70 16.840 -3.687 -3.687 538 HA THR 70 HA THR 70 15.005 -5.982 -5.982 539 HB THR 70 HB THR 70 17.075 -6.861 -6.861 540 HG1 THR 70 HG1 THR 70 16.938 -8.157 -8.157 541 1HG2 THR 70 HG22 THR 70 18.149 -4.688 -4.688 542 2HG2 THR 70 HG21 THR 70 19.183 -5.960 -5.960 543 3HG2 THR 70 HG23 THR 70 18.347 -4.870 -4.870 544 HA PRO 71 HA PRO 71 13.633 -5.371 -5.371 545 1HB PRO 71 HB2 PRO 71 13.682 -8.192 -8.192 546 2HB PRO 71 HB1 PRO 71 12.295 -7.174 -7.174 547 1HG PRO 71 HG2 PRO 71 13.223 -9.211 -9.211 548 2HG PRO 71 HG1 PRO 71 12.376 -7.783 -7.783 549 1HD PRO 71 HD2 PRO 71 15.329 -8.349 -8.349 550 2HD PRO 71 HD1 PRO 71 14.367 -7.564 -7.564 551 H LEU 72 HN LEU 72 16.817 -6.958 -6.958 552 HA LEU 72 HA LEU 72 17.094 -7.262 -7.262 553 1HB LEU 72 HB2 LEU 72 19.541 -6.138 -6.138 554 2HB LEU 72 HB1 LEU 72 19.316 -7.608 -7.608 555 HG LEU 72 HG LEU 72 20.057 -8.345 -8.345 556 1HD1 LEU 72 HD12 LEU 72 17.098 -8.597 -8.597 557 2HD1 LEU 72 HD11 LEU 72 17.847 -9.152 -9.152 558 3HD1 LEU 72 HD13 LEU 72 18.349 -9.825 -9.825 559 1HD2 LEU 72 HD22 LEU 72 18.223 -6.280 -6.280 560 2HD2 LEU 72 HD21 LEU 72 19.978 -6.326 -6.326 561 3HD2 LEU 72 HD23 LEU 72 19.044 -7.528 -7.528 562 H LEU 73 HN LEU 73 17.429 -4.384 -4.384 563 HA LEU 73 HA LEU 73 18.242 -2.698 -2.698 564 1HB LEU 73 HB2 LEU 73 17.001 -1.884 -1.884 565 2HB LEU 73 HB1 LEU 73 17.846 -0.830 -0.830 566 HG LEU 73 HG LEU 73 19.772 -2.631 -2.631 567 1HD1 LEU 73 HD12 LEU 73 17.874 -3.462 -3.462 568 2HD1 LEU 73 HD11 LEU 73 19.357 -2.915 -2.915 569 3HD1 LEU 73 HD13 LEU 73 19.418 -4.184 -4.184 570 1HD2 LEU 73 HD22 LEU 73 19.057 -0.369 -0.369 571 2HD2 LEU 73 HD21 LEU 73 20.261 -0.410 -0.410 572 3HD2 LEU 73 HD23 LEU 73 20.551 -1.279 -1.279 573 H SER 74 HN SER 74 15.182 -3.837 -3.837 574 HA SER 74 HA SER 74 13.499 -1.853 -1.853 575 1HB SER 74 HB2 SER 74 12.605 -3.598 -3.598 576 2HB SER 74 HB1 SER 74 13.052 -4.834 -4.834 577 HG SER 74 HG SER 74 10.785 -3.884 -3.884 578 H ALA 75 HN ALA 75 14.833 -4.805 -4.805 579 HA ALA 75 HA ALA 75 13.660 -4.236 -4.236 580 1HB ALA 75 HB2 ALA 75 15.811 -6.130 -6.130 581 2HB ALA 75 HB1 ALA 75 15.386 -5.978 -5.978 582 3HB ALA 75 HB3 ALA 75 14.175 -6.511 -6.511 583 H VAL 76 HN VAL 76 16.732 -3.468 -3.468 584 HA VAL 76 HA VAL 76 18.379 -2.752 -2.752 585 HB VAL 76 HB VAL 76 17.896 -1.449 -1.449 586 1HG1 VAL 76 HG13 VAL 76 18.889 0.117 0.117 587 2HG1 VAL 76 HG12 VAL 76 20.356 -0.775 -0.775 588 3HG1 VAL 76 HG11 VAL 76 19.538 0.143 0.143 589 1HG2 VAL 76 HG21 VAL 76 18.925 -3.698 -3.698 590 2HG2 VAL 76 HG23 VAL 76 20.069 -2.501 -2.501 591 3HG2 VAL 76 HG22 VAL 76 20.181 -3.068 -3.068 592 H TYR 77 HN TYR 77 16.352 -0.228 -0.228 593 HA TYR 77 HA TYR 77 16.475 1.395 1.395 594 1HB TYR 77 HB2 TYR 77 14.355 2.040 2.040 595 2HB TYR 77 HB1 TYR 77 15.647 3.055 3.055 596 HD1 TYR 77 HD1 TYR 77 14.763 0.521 0.521 597 HD2 TYR 77 HD2 TYR 77 17.774 3.252 3.252 598 HE1 TYR 77 HE1 TYR 77 16.007 0.255 0.255 599 HE2 TYR 77 HE2 TYR 77 19.009 2.977 2.977 600 HH TYR 77 HH TYR 77 18.367 2.312 2.312 601 H GLU 78 HN GLU 78 15.484 -1.034 -1.034 602 HA GLU 78 HA GLU 78 12.601 -0.400 -0.400 603 1HB GLU 78 HB2 GLU 78 13.195 -2.383 -2.383 604 2HB GLU 78 HB1 GLU 78 13.577 -3.243 -3.243 605 1HG GLU 78 HG2 GLU 78 11.315 -3.747 -3.747 606 2HG GLU 78 HG1 GLU 78 11.260 -2.413 -2.413 607 H GLY 79 HN GLY 79 15.660 -1.711 -1.711 608 1HA GLY 79 HA2 GLY 79 16.367 -1.668 -1.668 609 2HA GLY 79 HA1 GLY 79 14.677 -1.487 -1.487 610 H HIS 80 HN HIS 80 14.475 -3.679 -3.679 611 HA HIS 80 HA HIS 80 14.264 -5.918 -5.918 612 1HB HIS 80 HB2 HIS 80 13.608 -5.418 -5.418 613 2HB HIS 80 HB1 HIS 80 13.795 -7.091 -7.091 614 HD1 HIS 80 HD1 HIS 80 11.759 -8.116 -8.116 615 HD2 HIS 80 HD2 HIS 80 11.659 -3.958 -3.958 616 HE1 HIS 80 HE1 HIS 80 9.519 -7.514 -7.514 617 H VAL 81 HN VAL 81 16.023 -5.403 -5.403 618 HA VAL 81 HA VAL 81 17.866 -6.624 -6.624 619 HB VAL 81 HB VAL 81 19.858 -6.092 -6.092 620 1HG1 VAL 81 HG11 VAL 81 18.154 -4.277 -4.277 621 2HG1 VAL 81 HG13 VAL 81 19.516 -3.595 -3.595 622 3HG1 VAL 81 HG12 VAL 81 19.788 -4.865 -4.865 623 1HG2 VAL 81 HG21 VAL 81 18.276 -5.603 -5.603 624 2HG2 VAL 81 HG23 VAL 81 19.285 -4.218 -4.218 625 3HG2 VAL 81 HG22 VAL 81 17.608 -4.271 -4.271 626 H SER 82 HN SER 82 16.107 -8.160 -8.160 627 HA SER 82 HA SER 82 18.058 -10.178 -10.178 628 1HB SER 82 HB2 SER 82 16.308 -10.158 -10.158 629 2HB SER 82 HB1 SER 82 15.125 -9.625 -9.625 630 HG SER 82 HG SER 82 16.314 -12.198 -12.198 631 H CYS 83 HN CYS 83 15.869 -9.404 -9.404 632 HA CYS 83 HA CYS 83 15.848 -12.052 -12.052 633 1HB CYS 83 HB2 CYS 83 14.922 -10.424 -10.424 634 2HB CYS 83 HB1 CYS 83 13.915 -10.948 -10.948 635 HG CYS 83 HG CYS 83 13.953 -8.248 -8.248 636 H VAL 84 HN VAL 84 17.311 -8.863 -8.863 637 HA VAL 84 HA VAL 84 18.705 -9.337 -9.337 638 HB VAL 84 HB VAL 84 20.389 -7.777 -7.777 639 1HG1 VAL 84 HG11 VAL 84 17.557 -7.232 -7.232 640 2HG1 VAL 84 HG13 VAL 84 18.815 -6.014 -6.014 641 3HG1 VAL 84 HG12 VAL 84 18.386 -6.643 -6.643 642 1HG2 VAL 84 HG21 VAL 84 19.319 -8.679 -8.679 643 2HG2 VAL 84 HG23 VAL 84 20.998 -8.510 -8.510 644 3HG2 VAL 84 HG22 VAL 84 20.038 -7.081 -7.081 645 H LYS 85 HN LYS 85 19.421 -10.505 -10.505 646 HA LYS 85 HA LYS 85 22.015 -11.538 -11.538 647 1HB LYS 85 HB2 LYS 85 20.075 -12.984 -12.984 648 2HB LYS 85 HB1 LYS 85 21.775 -12.675 -12.675 649 1HG LYS 85 HG2 LYS 85 19.695 -10.500 -10.500 650 2HG LYS 85 HG1 LYS 85 20.244 -11.335 -11.335 651 1HD LYS 85 HD2 LYS 85 22.293 -10.120 -10.120 652 2HD LYS 85 HD1 LYS 85 21.394 -9.073 -9.073 653 1HE LYS 85 HE2 LYS 85 22.916 -11.547 -11.547 654 2HE LYS 85 HE1 LYS 85 23.535 -9.901 -9.901 655 1HZ LYS 85 HZ2 LYS 85 20.979 -9.931 -9.931 656 2HZ LYS 85 HZ1 LYS 85 21.833 -11.246 -11.246 657 3HZ LYS 85 HZ3 LYS 85 22.465 -9.678 -9.678 658 H LEU 86 HN LEU 86 19.267 -13.809 -13.809 659 HA LEU 86 HA LEU 86 20.532 -15.805 -15.805 660 1HB LEU 86 HB2 LEU 86 18.442 -17.066 -17.066 661 2HB LEU 86 HB1 LEU 86 18.928 -16.487 -16.487 662 HG LEU 86 HG LEU 86 16.524 -16.237 -16.237 663 1HD1 LEU 86 HD12 LEU 86 17.987 -14.506 -14.506 664 2HD1 LEU 86 HD11 LEU 86 17.595 -13.444 -13.444 665 3HD1 LEU 86 HD13 LEU 86 16.309 -14.115 -14.115 666 1HD2 LEU 86 HD21 LEU 86 16.884 -15.803 -15.803 667 2HD2 LEU 86 HD23 LEU 86 15.528 -15.053 -15.053 668 3HD2 LEU 86 HD22 LEU 86 16.974 -14.110 -14.110 669 H LEU 87 HN LEU 87 19.331 -12.977 -12.977 670 HA LEU 87 HA LEU 87 17.838 -13.823 -13.823 671 1HB LEU 87 HB2 LEU 87 18.676 -11.379 -11.379 672 2HB LEU 87 HB1 LEU 87 19.390 -11.412 -11.412 673 HG LEU 87 HG LEU 87 16.483 -11.969 -11.969 674 1HD1 LEU 87 HD13 LEU 87 17.951 -9.480 -9.480 675 2HD1 LEU 87 HD12 LEU 87 16.257 -9.721 -9.721 676 3HD1 LEU 87 HD11 LEU 87 16.741 -9.664 -9.664 677 1HD2 LEU 87 HD22 LEU 87 18.207 -12.007 -12.007 678 2HD2 LEU 87 HD21 LEU 87 16.823 -13.018 -13.018 679 3HD2 LEU 87 HD23 LEU 87 16.571 -11.376 -11.376 680 H LEU 88 HN LEU 88 21.215 -13.409 -13.409 681 HA LEU 88 HA LEU 88 22.205 -13.776 -13.776 682 1HB LEU 88 HB2 LEU 88 23.718 -14.392 -14.392 683 2HB LEU 88 HB1 LEU 88 24.374 -13.838 -13.838 684 HG LEU 88 HG LEU 88 22.355 -12.090 -12.090 685 1HD1 LEU 88 HD12 LEU 88 24.997 -12.846 -12.846 686 2HD1 LEU 88 HD11 LEU 88 24.637 -11.128 -11.128 687 3HD1 LEU 88 HD13 LEU 88 23.560 -12.222 -12.222 688 1HD2 LEU 88 HD22 LEU 88 23.429 -11.640 -11.640 689 2HD2 LEU 88 HD21 LEU 88 23.687 -10.362 -10.362 690 3HD2 LEU 88 HD23 LEU 88 24.973 -11.511 -11.511 691 H SER 89 HN SER 89 21.069 -15.800 -15.800 692 HA SER 89 HA SER 89 22.475 -18.179 -18.179 693 1HB SER 89 HB2 SER 89 20.574 -17.733 -17.733 694 2HB SER 89 HB1 SER 89 19.476 -18.138 -18.138 695 HG SER 89 HG SER 89 21.501 -19.740 -19.740 696 H LYS 90 HN LYS 90 20.597 -16.331 -16.331 697 HA LYS 90 HA LYS 90 20.259 -18.518 -18.518 698 1HB LYS 90 HB2 LYS 90 18.788 -16.005 -16.005 699 2HB LYS 90 HB1 LYS 90 18.811 -16.503 -16.503 700 1HG LYS 90 HG2 LYS 90 16.892 -17.521 -17.521 701 2HG LYS 90 HG1 LYS 90 18.069 -18.813 -18.813 702 1HD LYS 90 HD2 LYS 90 17.023 -18.969 -18.969 703 2HD LYS 90 HD1 LYS 90 18.637 -18.325 -18.325 704 1HE LYS 90 HE2 LYS 90 17.858 -16.217 -16.217 705 2HE LYS 90 HE1 LYS 90 16.413 -16.373 -16.373 706 1HZ LYS 90 HZ1 LYS 90 16.777 -18.089 -18.089 707 2HZ LYS 90 HZ3 LYS 90 16.180 -16.511 -16.511 708 3HZ LYS 90 HZ2 LYS 90 15.339 -17.637 -17.637 709 H GLY 91 HN GLY 91 21.509 -15.272 -15.272 710 1HA GLY 91 HA2 GLY 91 23.767 -14.993 -14.993 711 2HA GLY 91 HA1 GLY 91 22.745 -15.220 -15.220 712 H ALA 92 HN ALA 92 21.064 -13.619 -13.619 713 HA ALA 92 HA ALA 92 20.420 -11.360 -11.360 714 1HB ALA 92 HB1 ALA 92 20.336 -12.133 -12.133 715 2HB ALA 92 HB3 ALA 92 20.755 -10.426 -10.426 716 3HB ALA 92 HB2 ALA 92 19.274 -11.023 -11.023 717 H ASP 93 HN ASP 93 23.517 -12.163 -12.163 718 HA ASP 93 HA ASP 93 25.526 -10.920 -10.920 719 1HB ASP 93 HB2 ASP 93 24.944 -10.506 -10.506 720 2HB ASP 93 HB1 ASP 93 24.025 -9.086 -9.086 721 H LYS 94 HN LYS 94 24.392 -7.816 -7.816 722 HA LYS 94 HA LYS 94 23.311 -7.169 -7.169 723 1HB LYS 94 HB2 LYS 94 25.909 -7.619 -7.619 724 2HB LYS 94 HB1 LYS 94 26.041 -5.983 -5.983 725 1HG LYS 94 HG2 LYS 94 24.228 -6.694 -6.694 726 2HG LYS 94 HG1 LYS 94 25.871 -6.122 -6.122 727 1HD LYS 94 HD2 LYS 94 24.991 -4.045 -4.045 728 2HD LYS 94 HD1 LYS 94 24.847 -4.251 -4.251 729 1HE LYS 94 HE2 LYS 94 22.652 -3.732 -3.732 730 2HE LYS 94 HE1 LYS 94 22.562 -5.470 -5.470 731 1HZ LYS 94 HZ2 LYS 94 23.348 -3.740 -3.740 732 2HZ LYS 94 HZ1 LYS 94 21.709 -3.831 -3.831 733 3HZ LYS 94 HZ3 LYS 94 22.539 -5.235 -5.235 734 H THR 95 HN THR 95 25.145 -6.116 -6.116 735 HA THR 95 HA THR 95 23.397 -3.694 -3.694 736 HB THR 95 HB THR 95 25.387 -2.898 -2.898 737 HG1 THR 95 HG1 THR 95 26.389 -5.126 -5.126 738 1HG2 THR 95 HG21 THR 95 25.693 -3.135 -3.135 739 2HG2 THR 95 HG23 THR 95 26.528 -1.967 -1.967 740 3HG2 THR 95 HG22 THR 95 24.776 -1.888 -1.888 741 H VAL 96 HN VAL 96 22.255 -5.860 -5.860 742 HA VAL 96 HA VAL 96 22.981 -6.859 -6.859 743 HB VAL 96 HB VAL 96 20.208 -6.688 -6.688 744 1HG1 VAL 96 HG11 VAL 96 21.466 -8.367 -8.367 745 2HG1 VAL 96 HG13 VAL 96 19.952 -8.816 -8.816 746 3HG1 VAL 96 HG12 VAL 96 20.061 -7.307 -7.307 747 1HG2 VAL 96 HG22 VAL 96 22.118 -7.798 -7.798 748 2HG2 VAL 96 HG21 VAL 96 20.627 -8.706 -8.706 749 3HG2 VAL 96 HG23 VAL 96 22.052 -9.074 -9.074 750 H LYS 97 HN LYS 97 20.919 -4.088 -4.088 751 HA LYS 97 HA LYS 97 21.347 -2.972 -2.972 752 1HB LYS 97 HB2 LYS 97 18.851 -2.896 -2.896 753 2HB LYS 97 HB1 LYS 97 19.700 -4.397 -4.397 754 1HG LYS 97 HG2 LYS 97 18.967 -5.206 -5.206 755 2HG LYS 97 HG1 LYS 97 18.007 -3.734 -3.734 756 1HD LYS 97 HD2 LYS 97 17.693 -5.874 -5.874 757 2HD LYS 97 HD1 LYS 97 16.564 -5.518 -5.518 758 1HE LYS 97 HE2 LYS 97 16.569 -3.097 -3.097 759 2HE LYS 97 HE1 LYS 97 17.152 -3.926 -3.926 760 1HZ LYS 97 HZ2 LYS 97 15.219 -5.485 -5.485 761 2HZ LYS 97 HZ1 LYS 97 14.613 -4.363 -4.363 762 3HZ LYS 97 HZ3 LYS 97 14.827 -3.910 -3.910 763 H GLY 98 HN GLY 98 21.199 -2.299 -2.299 764 1HA GLY 98 HA2 GLY 98 19.258 -0.144 -0.144 765 2HA GLY 98 HA1 GLY 98 20.640 -0.357 -0.357 766 HA PRO 99 HA PRO 99 21.060 3.415 3.415 767 1HB PRO 99 HB2 PRO 99 22.243 4.293 4.293 768 2HB PRO 99 HB1 PRO 99 21.234 5.209 5.209 769 1HG PRO 99 HG2 PRO 99 20.274 4.133 4.133 770 2HG PRO 99 HG1 PRO 99 19.258 4.424 4.424 771 1HD PRO 99 HD2 PRO 99 20.125 1.851 1.851 772 2HD PRO 99 HD1 PRO 99 18.886 2.166 2.166 773 H ASP 100 HN ASP 100 23.389 2.822 2.822 774 HA ASP 100 HA ASP 100 25.282 1.522 1.522 775 1HB ASP 100 HB2 ASP 100 25.456 3.957 3.957 776 2HB ASP 100 HB1 ASP 100 25.995 4.308 4.308 777 H GLY 101 HN GLY 101 27.173 3.247 3.247 778 1HA GLY 101 HA2 GLY 101 27.587 1.108 1.108 779 2HA GLY 101 HA1 GLY 101 28.209 2.744 2.744 780 H LEU 102 HN LEU 102 24.895 2.971 2.971 781 HA LEU 102 HA LEU 102 24.396 3.955 3.955 782 1HB LEU 102 HB2 LEU 102 22.748 4.222 4.222 783 2HB LEU 102 HB1 LEU 102 22.307 2.528 2.528 784 HG LEU 102 HG LEU 102 22.268 4.443 4.443 785 1HD1 LEU 102 HD11 LEU 102 20.813 5.254 5.254 786 2HD1 LEU 102 HD13 LEU 102 19.854 3.805 3.805 787 3HD1 LEU 102 HD12 LEU 102 19.996 5.013 5.013 788 1HD2 LEU 102 HD22 LEU 102 21.356 1.676 1.676 789 2HD2 LEU 102 HD21 LEU 102 21.894 2.421 2.421 790 3HD2 LEU 102 HD23 LEU 102 20.247 2.669 2.669 791 H THR 103 HN THR 103 23.120 0.829 0.829 792 HA THR 103 HA THR 103 22.327 -0.868 -0.868 793 HB THR 103 HB THR 103 24.265 -1.947 -1.947 794 HG1 THR 103 HG1 THR 103 23.742 -2.005 -2.005 795 1HG2 THR 103 HG23 THR 103 25.818 0.254 0.254 796 2HG2 THR 103 HG22 THR 103 26.554 -1.134 -1.134 797 3HG2 THR 103 HG21 THR 103 25.636 0.040 0.040 798 H ALA 104 HN ALA 104 24.953 -0.513 -0.513 799 HA ALA 104 HA ALA 104 23.143 0.351 0.351 800 1HB ALA 104 HB1 ALA 104 25.785 -1.082 -1.082 801 2HB ALA 104 HB3 ALA 104 25.197 -0.397 -0.397 802 3HB ALA 104 HB2 ALA 104 24.266 -1.642 -1.642 803 H LEU 105 HN LEU 105 25.918 1.474 1.474 804 HA LEU 105 HA LEU 105 27.096 3.258 3.258 805 1HB LEU 105 HB2 LEU 105 26.671 3.807 3.807 806 2HB LEU 105 HB1 LEU 105 27.945 4.429 4.429 807 HG LEU 105 HG LEU 105 27.553 1.554 1.554 808 1HD1 LEU 105 HD13 LEU 105 28.616 3.263 3.263 809 2HD1 LEU 105 HD12 LEU 105 29.904 3.420 3.420 810 3HD1 LEU 105 HD11 LEU 105 29.628 1.872 1.872 811 1HD2 LEU 105 HD22 LEU 105 29.282 2.817 2.817 812 2HD2 LEU 105 HD21 LEU 105 28.335 1.333 1.333 813 3HD2 LEU 105 HD23 LEU 105 29.833 1.372 1.372 814 H GLU 106 HN GLU 106 24.868 4.396 4.396 815 HA GLU 106 HA GLU 106 24.442 6.855 6.855 816 1HB GLU 106 HB2 GLU 106 24.182 7.513 7.513 817 2HB GLU 106 HB1 GLU 106 23.972 5.863 5.863 818 1HG GLU 106 HG2 GLU 106 21.943 6.846 6.846 819 2HG GLU 106 HG1 GLU 106 21.541 6.113 6.113 820 H ALA 107 HN ALA 107 23.240 3.841 3.841 821 HA ALA 107 HA ALA 107 20.442 4.481 4.481 822 1HB ALA 107 HB2 ALA 107 21.167 2.191 2.191 823 2HB ALA 107 HB1 ALA 107 22.053 2.126 2.126 824 3HB ALA 107 HB3 ALA 107 20.299 2.247 2.247 825 H THR 108 HN THR 108 23.083 3.725 3.725 826 HA THR 108 HA THR 108 21.698 5.546 5.546 827 HB THR 108 HB THR 108 20.523 3.353 3.353 828 HG1 THR 108 HG1 THR 108 20.597 4.570 4.570 829 1HG2 THR 108 HG21 THR 108 22.811 2.185 2.185 830 2HG2 THR 108 HG23 THR 108 23.035 2.232 2.232 831 3HG2 THR 108 HG22 THR 108 21.654 1.385 1.385 832 H ASP 109 HN ASP 109 22.711 4.326 4.326 833 HA ASP 109 HA ASP 109 25.631 4.311 4.311 834 1HB ASP 109 HB2 ASP 109 24.908 6.715 6.715 835 2HB ASP 109 HB1 ASP 109 24.239 6.162 6.162 836 H ASN 110 HN ASN 110 22.798 3.005 3.005 837 HA ASN 110 HA ASN 110 23.801 2.241 2.241 838 1HB ASN 110 HB2 ASN 110 21.844 0.793 0.793 839 2HB ASN 110 HB1 ASN 110 21.327 2.353 2.353 840 1HD2 ASN 110 HD21 ASN 110 22.833 1.366 1.366 841 2HD2 ASN 110 HD22 ASN 110 21.653 0.424 0.424 842 H GLN 111 HN GLN 111 24.951 0.390 0.390 843 HA GLN 111 HA GLN 111 26.396 -0.729 -0.729 844 1HB GLN 111 HB2 GLN 111 27.563 -0.415 -0.415 845 2HB GLN 111 HB1 GLN 111 26.354 -1.279 -1.279 846 1HG GLN 111 HG2 GLN 111 27.061 -3.373 -3.373 847 2HG GLN 111 HG1 GLN 111 27.878 -2.673 -2.673 848 1HE2 GLN 111 HE21 GLN 111 30.106 -2.909 -2.909 849 2HE2 GLN 111 HE22 GLN 111 30.928 -2.628 -2.628 850 H ALA 112 HN ALA 112 23.300 -1.562 -1.562 851 HA ALA 112 HA ALA 112 23.667 -4.480 -4.480 852 1HB ALA 112 HB3 ALA 112 21.732 -3.408 -3.408 853 2HB ALA 112 HB2 ALA 112 21.090 -2.936 -2.936 854 3HB ALA 112 HB1 ALA 112 21.266 -4.643 -4.643 855 H ILE 113 HN ILE 113 22.470 -1.866 -1.866 856 HA ILE 113 HA ILE 113 21.962 -3.326 -3.326 857 HB ILE 113 HB ILE 113 22.511 -0.491 -0.491 858 1HG1 ILE 113 HG12 ILE 113 20.386 -0.227 -0.227 859 2HG1 ILE 113 HG11 ILE 113 20.267 -1.978 -1.978 860 1HG2 ILE 113 HG21 ILE 113 22.747 -1.571 -1.571 861 2HG2 ILE 113 HG23 ILE 113 22.252 0.100 0.100 862 3HG2 ILE 113 HG22 ILE 113 23.820 -0.464 -0.464 863 1HD1 ILE 113 HD11 ILE 113 20.678 -1.391 -1.391 864 2HD1 ILE 113 HD13 ILE 113 19.942 0.129 0.129 865 3HD1 ILE 113 HD12 ILE 113 19.064 -1.382 -1.382 866 H LYS 114 HN LYS 114 24.620 -1.378 -1.378 867 HA LYS 114 HA LYS 114 26.407 -1.760 -1.760 868 1HB LYS 114 HB2 LYS 114 27.186 -1.541 -1.541 869 2HB LYS 114 HB1 LYS 114 28.124 -1.017 -1.017 870 1HG LYS 114 HG2 LYS 114 25.387 0.108 0.108 871 2HG LYS 114 HG1 LYS 114 26.872 0.838 0.838 872 1HD LYS 114 HD2 LYS 114 27.638 0.886 0.886 873 2HD LYS 114 HD1 LYS 114 25.970 0.506 0.506 874 1HE LYS 114 HE2 LYS 114 25.210 2.516 2.516 875 2HE LYS 114 HE1 LYS 114 26.890 2.903 2.903 876 1HZ LYS 114 HZ1 LYS 114 26.747 2.476 2.476 877 2HZ LYS 114 HZ3 LYS 114 25.420 3.458 3.458 878 3HZ LYS 114 HZ2 LYS 114 26.993 3.952 3.952 879 H ALA 115 HN ALA 115 25.075 -4.056 -4.056 880 HA ALA 115 HA ALA 115 27.287 -5.877 -5.877 881 1HB ALA 115 HB1 ALA 115 25.069 -6.058 -6.058 882 2HB ALA 115 HB3 ALA 115 24.376 -6.698 -6.698 883 3HB ALA 115 HB2 ALA 115 25.686 -7.561 -7.561 884 H LEU 116 HN LEU 116 24.656 -5.408 -5.408 885 HA LEU 116 HA LEU 116 25.632 -7.498 -7.498 886 1HB LEU 116 HB2 LEU 116 23.580 -5.334 -5.334 887 2HB LEU 116 HB1 LEU 116 24.251 -5.880 -5.880 888 HG LEU 116 HG LEU 116 22.584 -7.403 -7.403 889 1HD1 LEU 116 HD13 LEU 116 22.624 -7.028 -7.028 890 2HD1 LEU 116 HD12 LEU 116 21.537 -8.145 -8.145 891 3HD1 LEU 116 HD11 LEU 116 21.428 -6.414 -6.414 892 1HD2 LEU 116 HD22 LEU 116 24.656 -8.563 -8.563 893 2HD2 LEU 116 HD21 LEU 116 24.283 -9.026 -9.026 894 3HD2 LEU 116 HD23 LEU 116 23.175 -9.446 -9.446 895 H LEU 117 HN LEU 117 26.691 -4.380 -4.380 896 HA LEU 117 HA LEU 117 27.831 -3.700 -3.700 897 1HB LEU 117 HB2 LEU 117 27.279 -1.940 -1.940 898 2HB LEU 117 HB1 LEU 117 28.346 -2.649 -2.649 899 HG LEU 117 HG LEU 117 30.297 -2.087 -2.087 900 1HD1 LEU 117 HD13 LEU 117 28.310 -1.514 -1.514 901 2HD1 LEU 117 HD12 LEU 117 29.932 -0.828 -0.828 902 3HD1 LEU 117 HD11 LEU 117 29.714 -2.575 -2.575 903 1HD2 LEU 117 HD23 LEU 117 28.215 0.108 0.108 904 2HD2 LEU 117 HD22 LEU 117 29.491 -0.211 -0.211 905 3HD2 LEU 117 HD21 LEU 117 29.898 0.420 0.420 906 H GLN 118 HN GLN 118 28.327 -6.116 -6.116 907 HA GLN 118 HA GLN 118 31.168 -6.225 -6.225 908 1HB GLN 118 HB2 GLN 118 28.891 -8.149 -8.149 909 2HB GLN 118 HB1 GLN 118 30.534 -8.771 -8.771 910 1HG GLN 118 HG2 GLN 118 31.024 -7.476 -7.476 911 2HG GLN 118 HG1 GLN 118 29.526 -6.559 -6.559 912 1HE2 GLN 118 HE21 GLN 118 29.190 -7.418 -7.418 913 2HE2 GLN 118 HE22 GLN 118 28.488 -8.953 -8.953 Start of MODEL 20 1 1H MET 1 HT2 MET 1 -12.568 -10.818 -10.818 2 2H MET 1 HT1 MET 1 -12.240 -9.978 -9.978 3 3H MET 1 HT3 MET 1 -12.349 -11.670 -11.670 4 HA MET 1 HA MET 1 -10.250 -11.949 -11.949 5 1HB MET 1 HB2 MET 1 -10.231 -8.976 -8.976 6 2HB MET 1 HB1 MET 1 -8.781 -9.970 -9.970 7 1HG MET 1 HG2 MET 1 -9.489 -11.366 -11.366 8 2HG MET 1 HG1 MET 1 -11.029 -10.515 -10.515 9 1HE MET 1 HE3 MET 1 -7.305 -10.472 -10.472 10 2HE MET 1 HE2 MET 1 -7.873 -10.871 -10.871 11 3HE MET 1 HE1 MET 1 -6.965 -9.385 -9.385 12 H CYS 2 HN CYS 2 -9.844 -12.459 -12.459 13 HA CYS 2 HA CYS 2 -10.303 -10.460 -10.460 14 1HB CYS 2 HB2 CYS 2 -10.935 -12.960 -12.960 15 2HB CYS 2 HB1 CYS 2 -9.213 -13.254 -13.254 16 HG CYS 2 HG CYS 2 -10.365 -12.907 -12.907 17 H ASP 3 HN ASP 3 -8.195 -9.692 -9.692 18 HA ASP 3 HA ASP 3 -5.610 -10.566 -10.566 19 1HB ASP 3 HB2 ASP 3 -6.591 -7.846 -7.846 20 2HB ASP 3 HB1 ASP 3 -4.884 -8.226 -8.226 21 H LYS 4 HN LYS 4 -7.869 -8.518 -8.518 22 HA LYS 4 HA LYS 4 -6.185 -7.131 -7.131 23 1HB LYS 4 HB2 LYS 4 -8.846 -8.376 -8.376 24 2HB LYS 4 HB1 LYS 4 -8.102 -6.940 -6.940 25 1HG LYS 4 HG2 LYS 4 -8.184 -5.888 -5.888 26 2HG LYS 4 HG1 LYS 4 -9.162 -7.261 -7.261 27 1HD LYS 4 HD2 LYS 4 -9.880 -5.442 -5.442 28 2HD LYS 4 HD1 LYS 4 -10.522 -5.264 -5.264 29 1HE LYS 4 HE2 LYS 4 -12.181 -6.575 -6.575 30 2HE LYS 4 HE1 LYS 4 -11.130 -7.827 -7.827 31 1HZ LYS 4 HZ2 LYS 4 -9.988 -7.470 -7.470 32 2HZ LYS 4 HZ1 LYS 4 -11.580 -7.044 -7.044 33 3HZ LYS 4 HZ3 LYS 4 -11.257 -8.573 -8.573 34 H GLU 5 HN GLU 5 -7.939 -10.119 -10.119 35 HA GLU 5 HA GLU 5 -6.438 -10.712 -10.712 36 1HB GLU 5 HB2 GLU 5 -8.503 -11.933 -11.933 37 2HB GLU 5 HB1 GLU 5 -7.407 -12.835 -12.835 38 1HG GLU 5 HG2 GLU 5 -7.703 -14.156 -14.156 39 2HG GLU 5 HG1 GLU 5 -6.093 -13.441 -13.441 40 H PHE 6 HN PHE 6 -5.510 -11.011 -11.011 41 HA PHE 6 HA PHE 6 -3.356 -12.895 -12.895 42 1HB PHE 6 HB2 PHE 6 -4.562 -12.019 -12.019 43 2HB PHE 6 HB1 PHE 6 -3.319 -10.772 -10.772 44 HD1 PHE 6 HD2 PHE 6 -0.871 -11.919 -11.919 45 HD2 PHE 6 HD1 PHE 6 -4.054 -13.773 -13.773 46 HE1 PHE 6 HE2 PHE 6 0.749 -13.488 -13.488 47 HE2 PHE 6 HE1 PHE 6 -2.432 -15.339 -15.339 48 HZ PHE 6 HZ PHE 6 -0.029 -15.201 -15.201 49 H MET 7 HN MET 7 -3.008 -9.429 -9.429 50 HA MET 7 HA MET 7 -0.338 -9.232 -9.232 51 1HB MET 7 HB2 MET 7 -0.499 -6.938 -6.938 52 2HB MET 7 HB1 MET 7 -1.804 -7.553 -7.553 53 1HG MET 7 HG2 MET 7 -3.329 -7.195 -7.195 54 2HG MET 7 HG1 MET 7 -2.004 -6.248 -6.248 55 1HE MET 7 HE1 MET 7 -4.160 -7.055 -7.055 56 2HE MET 7 HE3 MET 7 -4.756 -5.530 -5.530 57 3HE MET 7 HE2 MET 7 -3.243 -6.216 -6.216 58 H TRP 8 HN TRP 8 -3.374 -8.645 -8.645 59 HA TRP 8 HA TRP 8 -2.320 -7.522 -7.522 60 1HB TRP 8 HB2 TRP 8 -4.777 -8.026 -8.026 61 2HB TRP 8 HB1 TRP 8 -4.470 -9.640 -9.640 62 HD1 TRP 8 HD1 TRP 8 -4.191 -9.904 -9.904 63 HE1 TRP 8 HE1 TRP 8 -4.500 -8.301 -8.301 64 HE3 TRP 8 HE3 TRP 8 -4.534 -5.463 -5.463 65 HZ2 TRP 8 HZ2 TRP 8 -4.844 -5.496 -5.496 66 HZ3 TRP 8 HZ3 TRP 8 -4.848 -3.343 -3.343 67 HH2 TRP 8 HH2 TRP 8 -5.004 -3.354 -3.354 68 H ALA 9 HN ALA 9 -1.608 -10.567 -10.567 69 HA ALA 9 HA ALA 9 -0.972 -11.787 -11.787 70 1HB ALA 9 HB2 ALA 9 -0.607 -12.801 -12.801 71 2HB ALA 9 HB1 ALA 9 -0.218 -13.723 -13.723 72 3HB ALA 9 HB3 ALA 9 -1.886 -13.255 -13.255 73 H LEU 10 HN LEU 10 0.834 -10.758 -10.758 74 HA LEU 10 HA LEU 10 3.442 -11.282 -11.282 75 1HB LEU 10 HB2 LEU 10 2.464 -9.089 -9.089 76 2HB LEU 10 HB1 LEU 10 4.163 -9.442 -9.442 77 HG LEU 10 HG LEU 10 3.284 -11.936 -11.936 78 1HD1 LEU 10 HD13 LEU 10 0.979 -10.964 -10.964 79 2HD1 LEU 10 HD12 LEU 10 1.699 -10.075 -10.075 80 3HD1 LEU 10 HD11 LEU 10 1.689 -11.837 -11.837 81 1HD2 LEU 10 HD21 LEU 10 4.216 -9.689 -9.689 82 2HD2 LEU 10 HD23 LEU 10 5.193 -10.957 -10.957 83 3HD2 LEU 10 HD22 LEU 10 4.068 -11.357 -11.357 84 H LYS 11 HN LYS 11 1.055 -9.347 -9.347 85 HA LYS 11 HA LYS 11 2.713 -7.155 -7.155 86 1HB LYS 11 HB2 LYS 11 0.397 -6.801 -6.801 87 2HB LYS 11 HB1 LYS 11 -0.207 -7.820 -7.820 88 1HG LYS 11 HG2 LYS 11 1.561 -5.520 -5.520 89 2HG LYS 11 HG1 LYS 11 -0.096 -5.166 -5.166 90 1HD LYS 11 HD2 LYS 11 -0.700 -7.100 -7.100 91 2HD LYS 11 HD1 LYS 11 0.887 -6.733 -6.733 92 1HE LYS 11 HE2 LYS 11 0.141 -4.287 -4.287 93 2HE LYS 11 HE1 LYS 11 -1.484 -4.896 -4.896 94 1HZ LYS 11 HZ2 LYS 11 -0.232 -6.330 -6.330 95 2HZ LYS 11 HZ1 LYS 11 -0.252 -4.663 -4.663 96 3HZ LYS 11 HZ3 LYS 11 -1.702 -5.477 -5.477 97 H ASN 12 HN ASN 12 0.258 -8.994 -8.994 98 HA ASN 12 HA ASN 12 1.814 -8.728 -8.728 99 1HB ASN 12 HB2 ASN 12 -0.725 -8.716 -8.716 100 2HB ASN 12 HB1 ASN 12 -0.626 -10.466 -10.466 101 1HD2 ASN 12 HD21 ASN 12 -0.026 -7.809 -7.809 102 2HD2 ASN 12 HD22 ASN 12 0.087 -8.798 -8.798 103 H GLY 13 HN GLY 13 2.713 -10.574 -10.574 104 1HA GLY 13 HA2 GLY 13 4.050 -12.497 -12.497 105 2HA GLY 13 HA1 GLY 13 3.897 -12.542 -12.542 106 H ASP 14 HN ASP 14 0.965 -12.480 -12.480 107 HA ASP 14 HA ASP 14 0.165 -15.032 -15.032 108 1HB ASP 14 HB2 ASP 14 -1.172 -13.902 -13.902 109 2HB ASP 14 HB1 ASP 14 -1.866 -14.663 -14.663 110 H LEU 15 HN LEU 15 2.484 -15.447 -15.447 111 HA LEU 15 HA LEU 15 3.046 -16.090 -16.090 112 1HB LEU 15 HB2 LEU 15 4.568 -16.205 -16.205 113 2HB LEU 15 HB1 LEU 15 3.763 -17.692 -17.692 114 HG LEU 15 HG LEU 15 6.005 -17.839 -17.839 115 1HD1 LEU 15 HD11 LEU 15 4.181 -19.649 -19.649 116 2HD1 LEU 15 HD13 LEU 15 3.831 -19.485 -19.485 117 3HD1 LEU 15 HD12 LEU 15 5.438 -19.976 -19.976 118 1HD2 LEU 15 HD22 LEU 15 5.116 -16.241 -16.241 119 2HD2 LEU 15 HD21 LEU 15 5.946 -17.691 -17.691 120 3HD2 LEU 15 HD23 LEU 15 4.184 -17.613 -17.613 121 H ASP 16 HN ASP 16 1.026 -17.860 -17.860 122 HA ASP 16 HA ASP 16 0.788 -20.286 -20.286 123 1HB ASP 16 HB2 ASP 16 -1.277 -18.989 -18.989 124 2HB ASP 16 HB1 ASP 16 -1.118 -20.703 -20.703 125 H GLU 17 HN GLU 17 -0.739 -17.146 -17.146 126 HA GLU 17 HA GLU 17 -2.872 -18.083 -18.083 127 1HB GLU 17 HB2 GLU 17 -1.891 -15.374 -15.374 128 2HB GLU 17 HB1 GLU 17 -3.087 -15.534 -15.534 129 1HG GLU 17 HG2 GLU 17 -4.531 -16.850 -16.850 130 2HG GLU 17 HG1 GLU 17 -3.350 -16.623 -16.623 131 H VAL 18 HN VAL 18 0.153 -16.202 -16.202 132 HA VAL 18 HA VAL 18 -0.175 -16.047 -16.047 133 HB VAL 18 HB VAL 18 2.566 -16.104 -16.104 134 1HG1 VAL 18 HG13 VAL 18 0.846 -14.248 -14.248 135 2HG1 VAL 18 HG12 VAL 18 1.153 -13.592 -13.592 136 3HG1 VAL 18 HG11 VAL 18 2.486 -13.825 -13.825 137 1HG2 VAL 18 HG22 VAL 18 1.909 -16.516 -16.516 138 2HG2 VAL 18 HG21 VAL 18 3.217 -15.409 -15.409 139 3HG2 VAL 18 HG23 VAL 18 1.626 -14.773 -14.773 140 H LYS 19 HN LYS 19 1.294 -18.373 -18.373 141 HA LYS 19 HA LYS 19 2.594 -20.048 -20.048 142 1HB LYS 19 HB2 LYS 19 2.723 -20.182 -20.182 143 2HB LYS 19 HB1 LYS 19 1.134 -20.944 -20.944 144 1HG LYS 19 HG2 LYS 19 1.925 -22.880 -22.880 145 2HG LYS 19 HG1 LYS 19 3.352 -22.067 -22.067 146 1HD LYS 19 HD2 LYS 19 3.020 -22.242 -22.242 147 2HD LYS 19 HD1 LYS 19 3.558 -23.673 -23.673 148 1HE LYS 19 HE2 LYS 19 5.384 -22.344 -22.344 149 2HE LYS 19 HE1 LYS 19 4.869 -20.940 -20.940 150 1HZ LYS 19 HZ2 LYS 19 5.075 -22.898 -22.898 151 2HZ LYS 19 HZ1 LYS 19 6.380 -23.233 -23.233 152 3HZ LYS 19 HZ3 LYS 19 6.245 -21.706 -21.706 153 H ASP 20 HN ASP 20 -0.794 -19.798 -19.798 154 HA ASP 20 HA ASP 20 -1.660 -22.251 -22.251 155 1HB ASP 20 HB2 ASP 20 -3.043 -20.801 -20.801 156 2HB ASP 20 HB1 ASP 20 -3.247 -19.677 -19.677 157 H TYR 21 HN TYR 21 -1.752 -18.913 -18.913 158 HA TYR 21 HA TYR 21 -2.549 -19.755 -19.755 159 1HB TYR 21 HB2 TYR 21 -1.164 -17.254 -17.254 160 2HB TYR 21 HB1 TYR 21 -1.648 -17.477 -17.477 161 HD1 TYR 21 HD2 TYR 21 -4.009 -17.602 -17.602 162 HD2 TYR 21 HD1 TYR 21 -2.832 -17.031 -17.031 163 HE1 TYR 21 HE2 TYR 21 -6.336 -16.978 -16.978 164 HE2 TYR 21 HE1 TYR 21 -5.160 -16.409 -16.409 165 HH TYR 21 HH TYR 21 -7.201 -15.383 -15.383 166 H VAL 22 HN VAL 22 0.669 -19.000 -19.000 167 HA VAL 22 HA VAL 22 2.066 -19.628 -19.628 168 HB VAL 22 HB VAL 22 2.976 -19.389 -19.389 169 1HG1 VAL 22 HG12 VAL 22 4.523 -19.980 -19.980 170 2HG1 VAL 22 HG11 VAL 22 5.284 -19.243 -19.243 171 3HG1 VAL 22 HG13 VAL 22 4.574 -20.853 -20.853 172 1HG2 VAL 22 HG23 VAL 22 2.175 -17.340 -17.340 173 2HG2 VAL 22 HG22 VAL 22 3.893 -17.263 -17.263 174 3HG2 VAL 22 HG21 VAL 22 3.385 -17.634 -17.634 175 H ALA 23 HN ALA 23 0.863 -21.549 -21.549 176 HA ALA 23 HA ALA 23 2.507 -23.851 -23.851 177 1HB ALA 23 HB2 ALA 23 -0.277 -23.406 -23.406 178 2HB ALA 23 HB1 ALA 23 0.313 -25.051 -25.051 179 3HB ALA 23 HB3 ALA 23 1.159 -23.961 -23.961 180 H LYS 24 HN LYS 24 0.041 -22.428 -22.428 181 HA LYS 24 HA LYS 24 -0.982 -24.645 -24.645 182 1HB LYS 24 HB2 LYS 24 -0.511 -21.793 -21.793 183 2HB LYS 24 HB1 LYS 24 -1.410 -22.968 -22.968 184 1HG LYS 24 HG2 LYS 24 -2.914 -23.339 -23.339 185 2HG LYS 24 HG1 LYS 24 -2.089 -22.001 -22.001 186 1HD LYS 24 HD2 LYS 24 -2.844 -20.432 -20.432 187 2HD LYS 24 HD1 LYS 24 -3.334 -21.693 -21.693 188 1HE LYS 24 HE2 LYS 24 -5.133 -22.389 -22.389 189 2HE LYS 24 HE1 LYS 24 -4.584 -21.289 -21.289 190 1HZ LYS 24 HZ1 LYS 24 -4.953 -19.459 -19.459 191 2HZ LYS 24 HZ3 LYS 24 -5.739 -20.591 -20.591 192 3HZ LYS 24 HZ2 LYS 24 -6.362 -20.232 -20.232 193 H GLY 25 HN GLY 25 1.205 -22.382 -22.382 194 1HA GLY 25 HA2 GLY 25 3.154 -24.472 -24.472 195 2HA GLY 25 HA1 GLY 25 2.138 -24.136 -24.136 196 H GLU 26 HN GLU 26 4.712 -22.997 -22.997 197 HA GLU 26 HA GLU 26 5.919 -20.942 -20.942 198 1HB GLU 26 HB2 GLU 26 7.132 -20.946 -20.946 199 2HB GLU 26 HB1 GLU 26 7.388 -22.273 -22.273 200 1HG GLU 26 HG2 GLU 26 7.007 -23.294 -23.294 201 2HG GLU 26 HG1 GLU 26 5.500 -23.495 -23.495 202 H ASP 27 HN ASP 27 4.076 -19.459 -19.459 203 HA ASP 27 HA ASP 27 3.738 -17.919 -17.919 204 1HB ASP 27 HB2 ASP 27 1.738 -18.040 -18.040 205 2HB ASP 27 HB1 ASP 27 1.512 -17.310 -17.310 206 H VAL 28 HN VAL 28 5.817 -17.671 -17.671 207 HA VAL 28 HA VAL 28 5.083 -15.250 -15.250 208 HB VAL 28 HB VAL 28 7.387 -15.577 -15.577 209 1HG1 VAL 28 HG13 VAL 28 5.463 -17.924 -17.924 210 2HG1 VAL 28 HG12 VAL 28 6.741 -17.659 -17.659 211 3HG1 VAL 28 HG11 VAL 28 5.407 -16.513 -16.513 212 1HG2 VAL 28 HG22 VAL 28 8.091 -16.869 -16.869 213 2HG2 VAL 28 HG21 VAL 28 8.711 -17.418 -17.418 214 3HG2 VAL 28 HG23 VAL 28 7.360 -18.262 -18.262 215 H ASN 29 HN ASN 29 4.931 -14.287 -14.287 216 HA ASN 29 HA ASN 29 7.076 -12.436 -12.436 217 1HB ASN 29 HB2 ASN 29 7.659 -13.238 -13.238 218 2HB ASN 29 HB1 ASN 29 8.409 -14.079 -14.079 219 1HD2 ASN 29 HD21 ASN 29 7.177 -16.127 -16.127 220 2HD2 ASN 29 HD22 ASN 29 6.415 -17.045 -17.045 221 H ARG 30 HN ARG 30 4.202 -12.529 -12.529 222 HA ARG 30 HA ARG 30 3.352 -11.460 -11.460 223 1HB ARG 30 HB2 ARG 30 1.035 -11.606 -11.606 224 2HB ARG 30 HB1 ARG 30 1.743 -13.052 -13.052 225 1HG ARG 30 HG2 ARG 30 2.629 -13.769 -13.769 226 2HG ARG 30 HG1 ARG 30 2.220 -12.230 -12.230 227 1HD ARG 30 HD2 ARG 30 -0.179 -13.237 -13.237 228 2HD ARG 30 HD1 ARG 30 0.568 -14.582 -14.582 229 HE ARG 30 HE ARG 30 -0.811 -12.416 -12.416 230 1HH1 ARG 30 HH21 ARG 30 2.215 -14.057 -14.057 231 2HH1 ARG 30 HH22 ARG 30 2.497 -13.553 -13.553 232 1HH2 ARG 30 HH11 ARG 30 -0.457 -11.753 -11.753 233 2HH2 ARG 30 HH12 ARG 30 0.987 -12.244 -12.244 234 H THR 31 HN THR 31 2.304 -9.385 -9.385 235 HA THR 31 HA THR 31 3.398 -7.460 -7.460 236 HB THR 31 HB THR 31 0.828 -6.949 -6.949 237 HG1 THR 31 HG1 THR 31 2.966 -6.367 -6.367 238 1HG2 THR 31 HG23 THR 31 3.308 -5.314 -5.314 239 2HG2 THR 31 HG22 THR 31 1.921 -4.732 -4.732 240 3HG2 THR 31 HG21 THR 31 1.736 -5.153 -5.153 241 H LEU 32 HN LEU 32 2.988 -7.738 -7.738 242 HA LEU 32 HA LEU 32 0.900 -8.885 -8.885 243 1HB LEU 32 HB2 LEU 32 3.063 -7.474 -7.474 244 2HB LEU 32 HB1 LEU 32 1.816 -6.294 -6.294 245 HG LEU 32 HG LEU 32 1.915 -9.167 -9.167 246 1HD1 LEU 32 HD13 LEU 32 3.497 -7.342 -7.342 247 2HD1 LEU 32 HD12 LEU 32 2.029 -6.669 -6.669 248 3HD1 LEU 32 HD11 LEU 32 2.539 -8.303 -8.303 249 1HD2 LEU 32 HD23 LEU 32 -0.091 -6.930 -6.930 250 2HD2 LEU 32 HD22 LEU 32 -0.396 -8.522 -8.522 251 3HD2 LEU 32 HD21 LEU 32 -0.012 -8.367 -8.367 252 H GLU 33 HN GLU 33 0.787 -5.369 -5.369 253 HA GLU 33 HA GLU 33 -2.130 -5.457 -5.457 254 1HB GLU 33 HB2 GLU 33 -1.408 -4.005 -4.005 255 2HB GLU 33 HB1 GLU 33 -0.088 -3.368 -3.368 256 1HG GLU 33 HG2 GLU 33 -1.521 -1.983 -1.983 257 2HG GLU 33 HG1 GLU 33 -2.957 -2.911 -2.911 258 H GLY 34 HN GLY 34 0.298 -3.411 -3.411 259 1HA GLY 34 HA2 GLY 34 -1.043 -3.934 -3.934 260 2HA GLY 34 HA1 GLY 34 -1.310 -2.297 -2.297 261 H GLY 35 HN GLY 35 1.531 -2.746 -2.746 262 1HA GLY 35 HA2 GLY 35 3.259 -2.650 -2.650 263 2HA GLY 35 HA1 GLY 35 3.107 -1.115 -1.115 264 H ARG 36 HN ARG 36 2.882 -4.095 -4.095 265 HA ARG 36 HA ARG 36 5.708 -3.792 -3.792 266 1HB ARG 36 HB2 ARG 36 4.509 -4.455 -4.455 267 2HB ARG 36 HB1 ARG 36 4.810 -2.787 -2.787 268 1HG ARG 36 HG2 ARG 36 2.271 -3.986 -3.986 269 2HG ARG 36 HG1 ARG 36 2.359 -3.696 -3.696 270 1HD ARG 36 HD2 ARG 36 3.003 -1.605 -1.605 271 2HD ARG 36 HD1 ARG 36 1.449 -1.740 -1.740 272 HE ARG 36 HE ARG 36 3.231 -1.573 -1.573 273 1HH1 ARG 36 HH21 ARG 36 2.645 0.219 0.219 274 2HH1 ARG 36 HH22 ARG 36 3.162 1.730 1.730 275 1HH2 ARG 36 HH11 ARG 36 3.905 0.393 0.393 276 2HH2 ARG 36 HH12 ARG 36 3.879 1.828 1.828 277 H LYS 37 HN LYS 37 6.415 -5.763 -5.763 278 HA LYS 37 HA LYS 37 5.091 -8.225 -8.225 279 1HB LYS 37 HB2 LYS 37 7.635 -9.007 -9.007 280 2HB LYS 37 HB1 LYS 37 7.170 -8.622 -8.622 281 1HG LYS 37 HG2 LYS 37 9.131 -7.321 -7.321 282 2HG LYS 37 HG1 LYS 37 7.759 -6.217 -6.217 283 1HD LYS 37 HD2 LYS 37 7.546 -6.534 -6.534 284 2HD LYS 37 HD1 LYS 37 9.122 -7.321 -7.321 285 1HE LYS 37 HE2 LYS 37 8.415 -4.453 -4.453 286 2HE LYS 37 HE1 LYS 37 9.744 -5.119 -5.119 287 1HZ LYS 37 HZ1 LYS 37 10.573 -6.008 -6.008 288 2HZ LYS 37 HZ3 LYS 37 9.493 -4.910 -4.910 289 3HZ LYS 37 HZ2 LYS 37 10.741 -4.343 -4.343 290 HA PRO 38 HA PRO 38 4.331 -9.504 -9.504 291 1HB PRO 38 HB2 PRO 38 5.004 -12.233 -12.233 292 2HB PRO 38 HB1 PRO 38 3.448 -11.518 -11.518 293 1HG PRO 38 HG2 PRO 38 5.542 -12.583 -12.583 294 2HG PRO 38 HG1 PRO 38 3.864 -12.174 -12.174 295 1HD PRO 38 HD2 PRO 38 6.208 -10.677 -10.677 296 2HD PRO 38 HD1 PRO 38 4.515 -10.206 -10.206 297 H LEU 39 HN LEU 39 7.138 -8.518 -8.518 298 HA LEU 39 HA LEU 39 8.444 -10.184 -10.184 299 1HB LEU 39 HB2 LEU 39 9.469 -10.399 -10.399 300 2HB LEU 39 HB1 LEU 39 9.896 -8.697 -8.697 301 HG LEU 39 HG LEU 39 11.548 -9.065 -9.065 302 1HD1 LEU 39 HD12 LEU 39 10.112 -11.630 -11.630 303 2HD1 LEU 39 HD11 LEU 39 11.678 -11.151 -11.151 304 3HD1 LEU 39 HD13 LEU 39 10.251 -10.167 -10.167 305 1HD2 LEU 39 HD22 LEU 39 12.043 -10.276 -10.276 306 2HD2 LEU 39 HD21 LEU 39 12.898 -10.934 -10.934 307 3HD2 LEU 39 HD23 LEU 39 11.473 -11.758 -11.758 308 H HIS 40 HN HIS 40 7.472 -7.067 -7.067 309 HA HIS 40 HA HIS 40 9.365 -5.554 -5.554 310 1HB HIS 40 HB2 HIS 40 8.285 -4.577 -4.577 311 2HB HIS 40 HB1 HIS 40 6.713 -4.709 -4.709 312 HD1 HIS 40 HD1 HIS 40 9.909 -2.750 -2.750 313 HD2 HIS 40 HD2 HIS 40 6.283 -2.844 -2.844 314 HE1 HIS 40 HE1 HIS 40 9.817 -0.634 -0.634 315 H TYR 41 HN TYR 41 5.842 -6.173 -6.173 316 HA TYR 41 HA TYR 41 5.725 -4.987 -4.987 317 1HB TYR 41 HB2 TYR 41 3.921 -7.192 -7.192 318 2HB TYR 41 HB1 TYR 41 3.530 -5.928 -5.928 319 HD1 TYR 41 HD1 TYR 41 4.465 -6.516 -6.516 320 HD2 TYR 41 HD2 TYR 41 2.788 -3.793 -3.793 321 HE1 TYR 41 HE1 TYR 41 3.817 -4.985 -4.985 322 HE2 TYR 41 HE2 TYR 41 2.136 -2.265 -2.265 323 HH TYR 41 HH TYR 41 1.619 -2.583 -2.583 324 H ALA 42 HN ALA 42 6.371 -8.227 -8.227 325 HA ALA 42 HA ALA 42 6.412 -9.506 -9.506 326 1HB ALA 42 HB2 ALA 42 7.214 -10.161 -10.161 327 2HB ALA 42 HB1 ALA 42 8.127 -11.000 -11.000 328 3HB ALA 42 HB3 ALA 42 6.373 -11.160 -11.160 329 H ALA 43 HN ALA 43 9.010 -8.363 -8.363 330 HA ALA 43 HA ALA 43 11.154 -8.680 -8.680 331 1HB ALA 43 HB1 ALA 43 10.714 -6.598 -6.598 332 2HB ALA 43 HB3 ALA 43 12.252 -6.858 -6.858 333 3HB ALA 43 HB2 ALA 43 11.562 -8.134 -8.134 334 H ASP 44 HN ASP 44 9.398 -5.678 -5.678 335 HA ASP 44 HA ASP 44 10.408 -4.038 -4.038 336 1HB ASP 44 HB2 ASP 44 8.953 -3.310 -3.310 337 2HB ASP 44 HB1 ASP 44 7.570 -4.016 -4.016 338 H CYS 45 HN CYS 45 7.715 -6.372 -6.372 339 HA CYS 45 HA CYS 45 8.015 -6.298 -6.298 340 1HB CYS 45 HB2 CYS 45 5.542 -5.229 -5.229 341 2HB CYS 45 HB1 CYS 45 5.547 -5.750 -5.750 342 HG CYS 45 HG CYS 45 7.227 -3.341 -3.341 343 H GLY 46 HN GLY 46 8.487 -8.506 -8.506 344 1HA GLY 46 HA2 GLY 46 5.937 -10.094 -10.094 345 2HA GLY 46 HA1 GLY 46 7.341 -10.519 -10.519 346 H GLN 47 HN GLN 47 7.600 -9.356 -9.356 347 HA GLN 47 HA GLN 47 8.624 -10.385 -10.385 348 1HB GLN 47 HB2 GLN 47 7.323 -12.934 -12.934 349 2HB GLN 47 HB1 GLN 47 7.680 -12.483 -12.483 350 1HG GLN 47 HG2 GLN 47 5.642 -11.172 -11.172 351 2HG GLN 47 HG1 GLN 47 5.299 -12.152 -12.152 352 1HE2 GLN 47 HE21 GLN 47 4.735 -9.187 -9.187 353 2HE2 GLN 47 HE22 GLN 47 5.398 -8.366 -8.366 354 H LEU 48 HN LEU 48 9.603 -10.554 -10.554 355 HA LEU 48 HA LEU 48 11.515 -11.231 -11.231 356 1HB LEU 48 HB2 LEU 48 12.245 -11.801 -11.801 357 2HB LEU 48 HB1 LEU 48 13.361 -12.093 -12.093 358 HG LEU 48 HG LEU 48 13.930 -9.915 -9.915 359 1HD1 LEU 48 HD13 LEU 48 10.989 -9.351 -9.351 360 2HD1 LEU 48 HD12 LEU 48 12.248 -8.127 -8.127 361 3HD1 LEU 48 HD11 LEU 48 12.239 -9.458 -9.458 362 1HD2 LEU 48 HD22 LEU 48 13.313 -10.053 -10.053 363 2HD2 LEU 48 HD21 LEU 48 13.186 -8.428 -8.428 364 3HD2 LEU 48 HD23 LEU 48 11.732 -9.393 -9.393 365 H GLU 49 HN GLU 49 9.328 -13.290 -13.290 366 HA GLU 49 HA GLU 49 10.831 -15.753 -15.753 367 1HB GLU 49 HB2 GLU 49 7.942 -15.566 -15.566 368 2HB GLU 49 HB1 GLU 49 8.983 -16.971 -16.971 369 1HG GLU 49 HG2 GLU 49 10.409 -15.720 -15.720 370 2HG GLU 49 HG1 GLU 49 9.100 -14.540 -14.540 371 H ILE 50 HN ILE 50 8.068 -13.804 -13.804 372 HA ILE 50 HA ILE 50 7.225 -15.433 -15.433 373 HB ILE 50 HB ILE 50 6.943 -12.438 -12.438 374 1HG1 ILE 50 HG12 ILE 50 5.874 -14.612 -14.612 375 2HG1 ILE 50 HG11 ILE 50 5.957 -12.885 -12.885 376 1HG2 ILE 50 HG22 ILE 50 5.281 -14.611 -14.611 377 2HG2 ILE 50 HG21 ILE 50 4.852 -12.902 -12.902 378 3HG2 ILE 50 HG23 ILE 50 6.289 -13.427 -13.427 379 1HD1 ILE 50 HD13 ILE 50 3.940 -13.904 -13.904 380 2HD1 ILE 50 HD12 ILE 50 3.628 -14.071 -14.071 381 3HD1 ILE 50 HD11 ILE 50 3.883 -12.474 -12.474 382 H LEU 51 HN LEU 51 9.631 -12.834 -12.834 383 HA LEU 51 HA LEU 51 9.811 -12.626 -12.626 384 1HB LEU 51 HB2 LEU 51 12.372 -12.006 -12.006 385 2HB LEU 51 HB1 LEU 51 11.043 -10.861 -10.861 386 HG LEU 51 HG LEU 51 12.320 -10.695 -10.695 387 1HD1 LEU 51 HD13 LEU 51 9.537 -11.034 -11.034 388 2HD1 LEU 51 HD12 LEU 51 10.045 -11.889 -11.889 389 3HD1 LEU 51 HD11 LEU 51 10.450 -10.190 -10.190 390 1HD2 LEU 51 HD23 LEU 51 12.945 -13.217 -13.217 391 2HD2 LEU 51 HD22 LEU 51 12.768 -12.450 -12.450 392 3HD2 LEU 51 HD21 LEU 51 11.466 -13.453 -13.453 393 H GLU 52 HN GLU 52 11.955 -14.500 -14.500 394 HA GLU 52 HA GLU 52 13.308 -15.777 -15.777 395 1HB GLU 52 HB2 GLU 52 14.006 -17.489 -17.489 396 2HB GLU 52 HB1 GLU 52 14.306 -15.833 -15.833 397 1HG GLU 52 HG2 GLU 52 13.366 -16.918 -16.918 398 2HG GLU 52 HG1 GLU 52 12.061 -15.946 -15.946 399 H PHE 53 HN PHE 53 10.160 -16.386 -16.386 400 HA PHE 53 HA PHE 53 9.856 -19.117 -19.117 401 1HB PHE 53 HB2 PHE 53 8.142 -18.232 -18.232 402 2HB PHE 53 HB1 PHE 53 7.881 -16.864 -16.864 403 HD1 PHE 53 HD1 PHE 53 8.134 -20.575 -20.575 404 HD2 PHE 53 HD2 PHE 53 5.794 -17.010 -17.010 405 HE1 PHE 53 HE1 PHE 53 6.448 -21.872 -21.872 406 HE2 PHE 53 HE2 PHE 53 4.104 -18.311 -18.311 407 HZ PHE 53 HZ PHE 53 4.434 -20.746 -20.746 408 H LEU 54 HN LEU 54 7.953 -16.713 -16.713 409 HA LEU 54 HA LEU 54 7.678 -18.228 -18.228 410 1HB LEU 54 HB2 LEU 54 7.448 -15.711 -15.711 411 2HB LEU 54 HB1 LEU 54 6.185 -16.516 -16.516 412 HG LEU 54 HG LEU 54 6.877 -15.434 -15.434 413 1HD1 LEU 54 HD13 LEU 54 9.222 -14.606 -14.606 414 2HD1 LEU 54 HD12 LEU 54 8.715 -13.583 -13.583 415 3HD1 LEU 54 HD11 LEU 54 9.203 -15.250 -15.250 416 1HD2 LEU 54 HD23 LEU 54 5.436 -14.216 -14.216 417 2HD2 LEU 54 HD22 LEU 54 6.267 -13.183 -13.183 418 3HD2 LEU 54 HD21 LEU 54 6.895 -13.346 -13.346 419 H LEU 55 HN LEU 55 10.426 -16.414 -16.414 420 HA LEU 55 HA LEU 55 11.604 -16.003 -16.003 421 1HB LEU 55 HB2 LEU 55 12.246 -14.953 -14.953 422 2HB LEU 55 HB1 LEU 55 13.197 -16.416 -16.416 423 HG LEU 55 HG LEU 55 13.450 -14.569 -14.569 424 1HD1 LEU 55 HD11 LEU 55 14.800 -14.663 -14.663 425 2HD1 LEU 55 HD13 LEU 55 15.752 -14.196 -14.196 426 3HD1 LEU 55 HD12 LEU 55 14.324 -13.262 -13.262 427 1HD2 LEU 55 HD21 LEU 55 14.776 -17.110 -17.110 428 2HD2 LEU 55 HD23 LEU 55 14.346 -16.586 -16.586 429 3HD2 LEU 55 HD22 LEU 55 15.761 -15.904 -15.904 430 H LEU 56 HN LEU 56 11.871 -18.558 -18.558 431 HA LEU 56 HA LEU 56 13.809 -20.132 -20.132 432 1HB LEU 56 HB2 LEU 56 13.456 -21.730 -21.730 433 2HB LEU 56 HB1 LEU 56 12.747 -20.333 -20.333 434 HG LEU 56 HG LEU 56 10.540 -21.169 -21.169 435 1HD1 LEU 56 HD12 LEU 56 12.195 -23.101 -23.101 436 2HD1 LEU 56 HD11 LEU 56 11.705 -23.857 -23.857 437 3HD1 LEU 56 HD13 LEU 56 10.488 -23.399 -23.399 438 1HD2 LEU 56 HD21 LEU 56 10.858 -20.962 -20.962 439 2HD2 LEU 56 HD23 LEU 56 9.994 -22.447 -22.447 440 3HD2 LEU 56 HD22 LEU 56 11.706 -22.508 -22.508 441 H LYS 57 HN LYS 57 10.331 -19.878 -19.878 442 HA LYS 57 HA LYS 57 10.020 -22.124 -22.124 443 1HB LYS 57 HB2 LYS 57 8.451 -19.565 -19.565 444 2HB LYS 57 HB1 LYS 57 7.998 -20.719 -20.719 445 1HG LYS 57 HG2 LYS 57 8.456 -21.747 -21.747 446 2HG LYS 57 HG1 LYS 57 6.952 -20.894 -20.894 447 1HD LYS 57 HD2 LYS 57 6.364 -22.450 -22.450 448 2HD LYS 57 HD1 LYS 57 7.966 -23.187 -23.187 449 1HE LYS 57 HE2 LYS 57 6.435 -24.629 -24.629 450 2HE LYS 57 HE1 LYS 57 7.536 -23.882 -23.882 451 1HZ LYS 57 HZ2 LYS 57 5.806 -22.162 -22.162 452 2HZ LYS 57 HZ1 LYS 57 4.744 -23.073 -23.073 453 3HZ LYS 57 HZ3 LYS 57 5.337 -23.721 -23.721 454 H GLY 58 HN GLY 58 9.118 -19.136 -19.136 455 1HA GLY 58 HA2 GLY 58 10.938 -19.551 -19.551 456 2HA GLY 58 HA1 GLY 58 9.818 -18.196 -18.196 457 H ALA 59 HN ALA 59 10.899 -16.247 -16.247 458 HA ALA 59 HA ALA 59 12.668 -15.807 -15.807 459 1HB ALA 59 HB1 ALA 59 14.035 -16.787 -16.787 460 2HB ALA 59 HB3 ALA 59 14.830 -15.545 -15.545 461 3HB ALA 59 HB2 ALA 59 14.417 -17.099 -17.099 462 H ASP 60 HN ASP 60 11.313 -13.910 -13.910 463 HA ASP 60 HA ASP 60 11.632 -12.001 -12.001 464 1HB ASP 60 HB2 ASP 60 9.574 -12.152 -12.152 465 2HB ASP 60 HB1 ASP 60 10.561 -11.496 -11.496 466 H ILE 61 HN ILE 61 13.586 -13.180 -13.180 467 HA ILE 61 HA ILE 61 14.826 -11.140 -11.140 468 HB ILE 61 HB ILE 61 15.356 -13.635 -13.635 469 1HG1 ILE 61 HG12 ILE 61 17.539 -11.542 -11.542 470 2HG1 ILE 61 HG11 ILE 61 16.733 -12.223 -12.223 471 1HG2 ILE 61 HG23 ILE 61 15.715 -13.482 -13.482 472 2HG2 ILE 61 HG22 ILE 61 17.336 -12.924 -12.924 473 3HG2 ILE 61 HG21 ILE 61 16.791 -14.521 -14.521 474 1HD1 ILE 61 HD13 ILE 61 17.679 -14.502 -14.502 475 2HD1 ILE 61 HD12 ILE 61 18.879 -13.401 -13.401 476 3HD1 ILE 61 HD11 ILE 61 18.653 -13.491 -13.491 477 H ASN 62 HN ASN 62 14.950 -11.792 -11.792 478 HA ASN 62 HA ASN 62 16.497 -9.306 -9.306 479 1HB ASN 62 HB2 ASN 62 17.981 -10.438 -10.438 480 2HB ASN 62 HB1 ASN 62 18.168 -11.111 -11.111 481 1HD2 ASN 62 HD21 ASN 62 15.364 -12.430 -12.430 482 2HD2 ASN 62 HD22 ASN 62 15.729 -13.813 -13.813 483 H ALA 63 HN ALA 63 14.464 -11.826 -11.826 484 HA ALA 63 HA ALA 63 13.880 -11.466 -11.466 485 1HB ALA 63 HB1 ALA 63 12.432 -12.522 -12.522 486 2HB ALA 63 HB3 ALA 63 11.559 -10.991 -10.991 487 3HB ALA 63 HB2 ALA 63 11.654 -11.976 -11.976 488 HA PRO 64 HA PRO 64 11.328 -7.120 -7.120 489 1HB PRO 64 HB2 PRO 64 14.083 -6.300 -6.300 490 2HB PRO 64 HB1 PRO 64 12.511 -5.679 -5.679 491 1HG PRO 64 HG2 PRO 64 14.017 -7.692 -7.692 492 2HG PRO 64 HG1 PRO 64 12.314 -7.318 -7.318 493 1HD PRO 64 HD2 PRO 64 13.282 -9.747 -9.747 494 2HD PRO 64 HD1 PRO 64 11.596 -9.184 -9.184 495 H ASP 65 HN ASP 65 11.064 -5.963 -5.963 496 HA ASP 65 HA ASP 65 13.268 -5.372 -5.372 497 1HB ASP 65 HB2 ASP 65 10.646 -6.757 -6.757 498 2HB ASP 65 HB1 ASP 65 11.450 -5.809 -5.809 499 H LYS 66 HN LYS 66 9.801 -4.856 -4.856 500 HA LYS 66 HA LYS 66 9.919 -2.115 -2.115 501 1HB LYS 66 HB2 LYS 66 7.949 -3.708 -3.708 502 2HB LYS 66 HB1 LYS 66 7.616 -3.456 -3.456 503 1HG LYS 66 HG2 LYS 66 6.334 -1.793 -1.793 504 2HG LYS 66 HG1 LYS 66 7.822 -0.910 -0.910 505 1HD LYS 66 HD2 LYS 66 8.519 -1.418 -1.418 506 2HD LYS 66 HD1 LYS 66 6.939 -2.157 -2.157 507 1HE LYS 66 HE2 LYS 66 5.810 -0.116 -0.116 508 2HE LYS 66 HE1 LYS 66 7.109 0.646 0.646 509 1HZ LYS 66 HZ2 LYS 66 8.481 0.301 0.301 510 2HZ LYS 66 HZ1 LYS 66 6.995 0.055 0.055 511 3HZ LYS 66 HZ3 LYS 66 7.312 1.532 1.532 512 H HIS 67 HN HIS 67 10.084 -3.826 -3.826 513 HA HIS 67 HA HIS 67 9.519 -1.512 -1.512 514 1HB HIS 67 HB2 HIS 67 11.041 -3.973 -3.973 515 2HB HIS 67 HB1 HIS 67 9.933 -2.978 -2.978 516 HD1 HIS 67 HD1 HIS 67 10.062 -6.001 -6.001 517 HD2 HIS 67 HD2 HIS 67 7.118 -3.269 -3.269 518 HE1 HIS 67 HE1 HIS 67 7.838 -7.109 -7.109 519 H HIS 68 HN HIS 68 11.902 -2.320 -2.320 520 HA HIS 68 HA HIS 68 14.212 -1.871 -1.871 521 1HB HIS 68 HB2 HIS 68 12.757 0.313 0.313 522 2HB HIS 68 HB1 HIS 68 13.517 0.753 0.753 523 HD1 HIS 68 HD1 HIS 68 14.145 2.261 2.261 524 HD2 HIS 68 HD2 HIS 68 16.451 -0.846 -0.846 525 HE1 HIS 68 HE1 HIS 68 16.460 2.523 2.523 526 H ILE 69 HN ILE 69 13.519 -3.145 -3.145 527 HA ILE 69 HA ILE 69 15.978 -2.306 -2.306 528 HB ILE 69 HB ILE 69 13.570 -1.090 -1.090 529 1HG1 ILE 69 HG12 ILE 69 15.858 -0.144 -0.144 530 2HG1 ILE 69 HG11 ILE 69 15.049 -0.005 -0.005 531 1HG2 ILE 69 HG21 ILE 69 13.160 -3.217 -3.217 532 2HG2 ILE 69 HG23 ILE 69 14.675 -2.933 -2.933 533 3HG2 ILE 69 HG22 ILE 69 13.347 -1.795 -1.795 534 1HD1 ILE 69 HD12 ILE 69 16.250 -2.276 -2.276 535 2HD1 ILE 69 HD11 ILE 69 17.303 -1.845 -1.845 536 3HD1 ILE 69 HD13 ILE 69 17.184 -0.786 -0.786 537 H THR 70 HN THR 70 16.528 -3.461 -3.461 538 HA THR 70 HA THR 70 15.632 -6.284 -6.284 539 HB THR 70 HB THR 70 17.867 -6.773 -6.773 540 HG1 THR 70 HG1 THR 70 19.214 -5.506 -5.506 541 1HG2 THR 70 HG22 THR 70 17.629 -5.028 -5.028 542 2HG2 THR 70 HG21 THR 70 18.285 -3.858 -3.858 543 3HG2 THR 70 HG23 THR 70 19.260 -5.239 -5.239 544 HA PRO 71 HA PRO 71 13.586 -4.503 -4.503 545 1HB PRO 71 HB2 PRO 71 12.792 -7.255 -7.255 546 2HB PRO 71 HB1 PRO 71 11.773 -5.860 -5.860 547 1HG PRO 71 HG2 PRO 71 12.189 -8.009 -8.009 548 2HG PRO 71 HG1 PRO 71 11.708 -6.391 -6.391 549 1HD PRO 71 HD2 PRO 71 14.352 -7.721 -7.721 550 2HD PRO 71 HD1 PRO 71 13.676 -6.385 -6.385 551 H LEU 72 HN LEU 72 16.188 -6.735 -6.735 552 HA LEU 72 HA LEU 72 16.324 -7.262 -7.262 553 1HB LEU 72 HB2 LEU 72 18.879 -6.526 -6.526 554 2HB LEU 72 HB1 LEU 72 18.523 -7.907 -7.907 555 HG LEU 72 HG LEU 72 18.799 -8.859 -8.859 556 1HD1 LEU 72 HD12 LEU 72 16.411 -9.126 -9.126 557 2HD1 LEU 72 HD11 LEU 72 15.870 -8.489 -8.489 558 3HD1 LEU 72 HD13 LEU 72 16.828 -9.966 -9.966 559 1HD2 LEU 72 HD23 LEU 72 17.784 -6.287 -6.287 560 2HD2 LEU 72 HD22 LEU 72 18.823 -7.438 -7.438 561 3HD2 LEU 72 HD21 LEU 72 17.069 -7.628 -7.628 562 H LEU 73 HN LEU 73 16.916 -4.442 -4.442 563 HA LEU 73 HA LEU 73 18.097 -2.813 -2.813 564 1HB LEU 73 HB2 LEU 73 16.733 -2.149 -2.149 565 2HB LEU 73 HB1 LEU 73 17.393 -0.923 -0.923 566 HG LEU 73 HG LEU 73 19.578 -2.428 -2.428 567 1HD1 LEU 73 HD11 LEU 73 18.430 -4.175 -4.175 568 2HD1 LEU 73 HD13 LEU 73 18.222 -2.982 -2.982 569 3HD1 LEU 73 HD12 LEU 73 19.843 -3.491 -3.491 570 1HD2 LEU 73 HD22 LEU 73 18.514 -0.387 -0.387 571 2HD2 LEU 73 HD21 LEU 73 19.786 -0.220 -0.220 572 3HD2 LEU 73 HD23 LEU 73 20.096 -1.111 -1.111 573 H SER 74 HN SER 74 14.925 -3.850 -3.850 574 HA SER 74 HA SER 74 13.361 -1.767 -1.767 575 1HB SER 74 HB2 SER 74 12.506 -3.724 -3.724 576 2HB SER 74 HB1 SER 74 12.688 -4.714 -4.714 577 HG SER 74 HG SER 74 11.080 -2.395 -2.395 578 H ALA 75 HN ALA 75 14.643 -4.697 -4.697 579 HA ALA 75 HA ALA 75 13.588 -3.997 -3.997 580 1HB ALA 75 HB1 ALA 75 14.299 -6.315 -6.315 581 2HB ALA 75 HB3 ALA 75 15.968 -5.782 -5.782 582 3HB ALA 75 HB2 ALA 75 14.882 -5.829 -5.829 583 H VAL 76 HN VAL 76 16.589 -3.322 -3.322 584 HA VAL 76 HA VAL 76 18.297 -2.498 -2.498 585 HB VAL 76 HB VAL 76 17.752 -1.305 -1.305 586 1HG1 VAL 76 HG11 VAL 76 18.927 0.220 0.220 587 2HG1 VAL 76 HG13 VAL 76 20.312 -0.794 -0.794 588 3HG1 VAL 76 HG12 VAL 76 19.526 0.163 0.163 589 1HG2 VAL 76 HG22 VAL 76 19.924 -3.108 -3.108 590 2HG2 VAL 76 HG21 VAL 76 18.601 -3.615 -3.615 591 3HG2 VAL 76 HG23 VAL 76 19.850 -2.531 -2.531 592 H TYR 77 HN TYR 77 16.167 -0.104 -0.104 593 HA TYR 77 HA TYR 77 16.408 1.733 1.733 594 1HB TYR 77 HB2 TYR 77 14.118 2.065 2.065 595 2HB TYR 77 HB1 TYR 77 15.319 3.243 3.243 596 HD1 TYR 77 HD1 TYR 77 14.576 0.519 0.519 597 HD2 TYR 77 HD2 TYR 77 17.414 3.528 3.528 598 HE1 TYR 77 HE1 TYR 77 15.756 0.258 0.258 599 HE2 TYR 77 HE2 TYR 77 18.586 3.257 3.257 600 HH TYR 77 HH TYR 77 18.846 1.450 1.450 601 H GLU 78 HN GLU 78 15.540 -0.698 -0.698 602 HA GLU 78 HA GLU 78 12.728 -0.027 -0.027 603 1HB GLU 78 HB2 GLU 78 13.096 -2.072 -2.072 604 2HB GLU 78 HB1 GLU 78 13.673 -2.883 -2.883 605 1HG GLU 78 HG2 GLU 78 11.358 -3.367 -3.367 606 2HG GLU 78 HG1 GLU 78 11.500 -2.043 -2.043 607 H GLY 79 HN GLY 79 15.907 -1.116 -1.116 608 1HA GLY 79 HA2 GLY 79 16.798 -1.065 -1.065 609 2HA GLY 79 HA1 GLY 79 15.163 -0.781 -0.781 610 H HIS 80 HN HIS 80 14.692 -3.139 -3.139 611 HA HIS 80 HA HIS 80 14.574 -5.218 -5.218 612 1HB HIS 80 HB2 HIS 80 13.743 -4.941 -4.941 613 2HB HIS 80 HB1 HIS 80 13.940 -6.572 -6.572 614 HD1 HIS 80 HD1 HIS 80 11.785 -7.460 -7.460 615 HD2 HIS 80 HD2 HIS 80 12.062 -3.338 -3.338 616 HE1 HIS 80 HE1 HIS 80 9.635 -6.745 -6.745 617 H VAL 81 HN VAL 81 16.073 -5.058 -5.058 618 HA VAL 81 HA VAL 81 17.824 -6.394 -6.394 619 HB VAL 81 HB VAL 81 19.969 -5.723 -5.723 620 1HG1 VAL 81 HG13 VAL 81 18.986 -4.819 -4.819 621 2HG1 VAL 81 HG12 VAL 81 18.374 -3.486 -3.486 622 3HG1 VAL 81 HG11 VAL 81 20.108 -3.789 -3.789 623 1HG2 VAL 81 HG21 VAL 81 18.601 -5.000 -5.000 624 2HG2 VAL 81 HG23 VAL 81 19.588 -3.694 -3.694 625 3HG2 VAL 81 HG22 VAL 81 17.862 -3.754 -3.754 626 H SER 82 HN SER 82 16.206 -7.610 -7.610 627 HA SER 82 HA SER 82 18.167 -9.474 -9.474 628 1HB SER 82 HB2 SER 82 15.368 -8.757 -8.757 629 2HB SER 82 HB1 SER 82 15.570 -10.505 -10.505 630 HG SER 82 HG SER 82 17.387 -10.157 -10.157 631 H CYS 83 HN CYS 83 16.068 -9.027 -9.027 632 HA CYS 83 HA CYS 83 16.062 -11.828 -11.828 633 1HB CYS 83 HB2 CYS 83 14.122 -10.460 -10.460 634 2HB CYS 83 HB1 CYS 83 15.145 -9.264 -9.264 635 HG CYS 83 HG CYS 83 14.326 -10.772 -10.772 636 H VAL 84 HN VAL 84 17.418 -8.726 -8.726 637 HA VAL 84 HA VAL 84 18.898 -9.531 -9.531 638 HB VAL 84 HB VAL 84 20.748 -8.042 -8.042 639 1HG1 VAL 84 HG13 VAL 84 18.666 -7.146 -7.146 640 2HG1 VAL 84 HG12 VAL 84 18.003 -6.887 -6.887 641 3HG1 VAL 84 HG11 VAL 84 19.433 -5.997 -5.997 642 1HG2 VAL 84 HG23 VAL 84 19.256 -8.248 -8.248 643 2HG2 VAL 84 HG22 VAL 84 20.996 -8.306 -8.306 644 3HG2 VAL 84 HG21 VAL 84 20.137 -6.767 -6.767 645 H LYS 85 HN LYS 85 19.685 -10.198 -10.198 646 HA LYS 85 HA LYS 85 22.125 -11.562 -11.562 647 1HB LYS 85 HB2 LYS 85 20.327 -11.078 -11.078 648 2HB LYS 85 HB1 LYS 85 20.666 -12.803 -12.803 649 1HG LYS 85 HG2 LYS 85 22.400 -11.937 -11.937 650 2HG LYS 85 HG1 LYS 85 23.161 -12.084 -12.084 651 1HD LYS 85 HD2 LYS 85 22.424 -9.641 -9.641 652 2HD LYS 85 HD1 LYS 85 22.122 -9.588 -9.588 653 1HE LYS 85 HE2 LYS 85 24.532 -10.508 -10.508 654 2HE LYS 85 HE1 LYS 85 24.743 -10.013 -10.013 655 1HZ LYS 85 HZ2 LYS 85 23.602 -8.113 -8.113 656 2HZ LYS 85 HZ1 LYS 85 25.280 -8.370 -8.370 657 3HZ LYS 85 HZ3 LYS 85 24.499 -7.808 -7.808 658 H LEU 86 HN LEU 86 18.898 -13.004 -13.004 659 HA LEU 86 HA LEU 86 19.607 -15.614 -15.614 660 1HB LEU 86 HB2 LEU 86 17.772 -15.981 -15.981 661 2HB LEU 86 HB1 LEU 86 17.382 -14.272 -14.272 662 HG LEU 86 HG LEU 86 15.548 -15.583 -15.583 663 1HD1 LEU 86 HD12 LEU 86 16.645 -13.340 -13.340 664 2HD1 LEU 86 HD11 LEU 86 16.235 -14.421 -14.421 665 3HD1 LEU 86 HD13 LEU 86 15.000 -13.942 -13.942 666 1HD2 LEU 86 HD23 LEU 86 17.609 -17.035 -17.035 667 2HD2 LEU 86 HD22 LEU 86 15.886 -17.393 -17.393 668 3HD2 LEU 86 HD21 LEU 86 16.513 -16.381 -16.381 669 H LEU 87 HN LEU 87 18.930 -12.681 -12.681 670 HA LEU 87 HA LEU 87 17.681 -13.787 -13.787 671 1HB LEU 87 HB2 LEU 87 17.925 -11.268 -11.268 672 2HB LEU 87 HB1 LEU 87 18.915 -11.159 -11.159 673 HG LEU 87 HG LEU 87 16.069 -12.205 -12.205 674 1HD1 LEU 87 HD12 LEU 87 17.142 -9.496 -9.496 675 2HD1 LEU 87 HD11 LEU 87 15.476 -10.040 -10.040 676 3HD1 LEU 87 HD13 LEU 87 16.149 -9.812 -9.812 677 1HD2 LEU 87 HD22 LEU 87 17.830 -12.848 -12.848 678 2HD2 LEU 87 HD21 LEU 87 16.219 -12.319 -12.319 679 3HD2 LEU 87 HD23 LEU 87 17.572 -11.192 -11.192 680 H LEU 88 HN LEU 88 20.984 -12.253 -12.253 681 HA LEU 88 HA LEU 88 21.733 -13.061 -13.061 682 1HB LEU 88 HB2 LEU 88 23.901 -12.308 -12.308 683 2HB LEU 88 HB1 LEU 88 22.927 -11.274 -11.274 684 HG LEU 88 HG LEU 88 24.854 -11.908 -11.908 685 1HD1 LEU 88 HD13 LEU 88 22.462 -13.549 -13.549 686 2HD1 LEU 88 HD12 LEU 88 23.878 -13.308 -13.308 687 3HD1 LEU 88 HD11 LEU 88 22.890 -11.928 -11.928 688 1HD2 LEU 88 HD21 LEU 88 24.978 -14.151 -14.151 689 2HD2 LEU 88 HD23 LEU 88 25.914 -13.911 -13.911 690 3HD2 LEU 88 HD22 LEU 88 24.416 -14.835 -14.835 691 H SER 89 HN SER 89 21.345 -14.877 -14.877 692 HA SER 89 HA SER 89 23.289 -16.918 -16.918 693 1HB SER 89 HB2 SER 89 22.021 -18.032 -18.032 694 2HB SER 89 HB1 SER 89 21.128 -16.516 -16.516 695 HG SER 89 HG SER 89 19.597 -17.335 -17.335 696 H LYS 90 HN LYS 90 20.814 -15.894 -15.894 697 HA LYS 90 HA LYS 90 20.894 -18.454 -18.454 698 1HB LYS 90 HB2 LYS 90 18.827 -16.260 -16.260 699 2HB LYS 90 HB1 LYS 90 18.815 -17.396 -17.396 700 1HG LYS 90 HG2 LYS 90 18.776 -19.271 -19.271 701 2HG LYS 90 HG1 LYS 90 18.636 -18.090 -18.090 702 1HD LYS 90 HD2 LYS 90 16.682 -18.388 -18.388 703 2HD LYS 90 HD1 LYS 90 16.424 -19.008 -19.008 704 1HE LYS 90 HE2 LYS 90 16.552 -16.142 -16.142 705 2HE LYS 90 HE1 LYS 90 15.295 -16.941 -16.941 706 1HZ LYS 90 HZ2 LYS 90 18.061 -16.439 -16.439 707 2HZ LYS 90 HZ1 LYS 90 16.713 -15.481 -15.481 708 3HZ LYS 90 HZ3 LYS 90 16.781 -17.095 -17.095 709 H GLY 91 HN GLY 91 21.845 -15.195 -15.195 710 1HA GLY 91 HA2 GLY 91 23.626 -14.783 -14.783 711 2HA GLY 91 HA1 GLY 91 22.269 -15.071 -15.071 712 H ALA 92 HN ALA 92 20.708 -13.471 -13.471 713 HA ALA 92 HA ALA 92 19.892 -11.274 -11.274 714 1HB ALA 92 HB1 ALA 92 20.150 -12.126 -12.126 715 2HB ALA 92 HB3 ALA 92 20.343 -10.378 -10.378 716 3HB ALA 92 HB2 ALA 92 18.884 -11.154 -11.154 717 H ASP 93 HN ASP 93 23.185 -11.743 -11.743 718 HA ASP 93 HA ASP 93 24.968 -10.197 -10.197 719 1HB ASP 93 HB2 ASP 93 23.224 -9.529 -9.529 720 2HB ASP 93 HB1 ASP 93 24.556 -8.453 -8.453 721 H LYS 94 HN LYS 94 24.141 -7.252 -7.252 722 HA LYS 94 HA LYS 94 22.376 -6.372 -6.372 723 1HB LYS 94 HB2 LYS 94 23.943 -5.112 -5.112 724 2HB LYS 94 HB1 LYS 94 24.446 -6.795 -6.795 725 1HG LYS 94 HG2 LYS 94 25.578 -4.774 -4.774 726 2HG LYS 94 HG1 LYS 94 26.265 -4.996 -4.996 727 1HD LYS 94 HD2 LYS 94 27.441 -6.759 -6.759 728 2HD LYS 94 HD1 LYS 94 25.925 -7.604 -7.604 729 1HE LYS 94 HE2 LYS 94 25.806 -6.721 -6.721 730 2HE LYS 94 HE1 LYS 94 27.141 -5.612 -5.612 731 1HZ LYS 94 HZ2 LYS 94 27.483 -8.529 -8.529 732 2HZ LYS 94 HZ1 LYS 94 27.627 -7.766 -7.766 733 3HZ LYS 94 HZ3 LYS 94 28.667 -7.335 -7.335 734 H THR 95 HN THR 95 24.498 -5.731 -5.731 735 HA THR 95 HA THR 95 22.959 -3.260 -3.260 736 HB THR 95 HB THR 95 25.874 -3.399 -3.399 737 HG1 THR 95 HG1 THR 95 26.183 -2.228 -2.228 738 1HG2 THR 95 HG21 THR 95 24.386 -1.579 -1.579 739 2HG2 THR 95 HG23 THR 95 24.075 -1.107 -1.107 740 3HG2 THR 95 HG22 THR 95 25.702 -0.973 -0.973 741 H VAL 96 HN VAL 96 22.634 -5.964 -5.964 742 HA VAL 96 HA VAL 96 23.922 -6.401 -6.401 743 HB VAL 96 HB VAL 96 22.247 -7.848 -7.848 744 1HG1 VAL 96 HG12 VAL 96 21.500 -8.133 -8.133 745 2HG1 VAL 96 HG11 VAL 96 20.996 -9.218 -9.218 746 3HG1 VAL 96 HG13 VAL 96 20.448 -7.543 -7.543 747 1HG2 VAL 96 HG22 VAL 96 23.904 -8.726 -8.726 748 2HG2 VAL 96 HG21 VAL 96 24.491 -8.535 -8.535 749 3HG2 VAL 96 HG23 VAL 96 23.312 -9.791 -9.791 750 H LYS 97 HN LYS 97 21.296 -4.415 -4.415 751 HA LYS 97 HA LYS 97 20.815 -3.844 -3.844 752 1HB LYS 97 HB2 LYS 97 19.096 -5.749 -5.749 753 2HB LYS 97 HB1 LYS 97 18.161 -4.315 -4.315 754 1HG LYS 97 HG2 LYS 97 19.135 -4.447 -4.447 755 2HG LYS 97 HG1 LYS 97 19.888 -5.976 -5.976 756 1HD LYS 97 HD2 LYS 97 17.771 -7.029 -7.029 757 2HD LYS 97 HD1 LYS 97 16.916 -5.489 -5.489 758 1HE LYS 97 HE2 LYS 97 16.731 -6.824 -6.824 759 2HE LYS 97 HE1 LYS 97 17.434 -5.225 -5.225 760 1HZ LYS 97 HZ3 LYS 97 19.399 -7.204 -7.204 761 2HZ LYS 97 HZ2 LYS 97 18.532 -7.595 -7.595 762 3HZ LYS 97 HZ1 LYS 97 19.348 -6.108 -6.108 763 H GLY 98 HN GLY 98 21.002 -2.723 -2.723 764 1HA GLY 98 HA2 GLY 98 18.883 -0.732 -0.732 765 2HA GLY 98 HA1 GLY 98 20.322 -0.699 -0.699 766 HA PRO 99 HA PRO 99 20.562 2.569 2.569 767 1HB PRO 99 HB2 PRO 99 21.723 4.252 4.252 768 2HB PRO 99 HB1 PRO 99 20.226 4.511 4.511 769 1HG PRO 99 HG2 PRO 99 20.541 3.617 3.617 770 2HG PRO 99 HG1 PRO 99 19.046 4.031 4.031 771 1HD PRO 99 HD2 PRO 99 19.855 1.433 1.433 772 2HD PRO 99 HD1 PRO 99 18.545 1.817 1.817 773 H ASP 100 HN ASP 100 22.891 2.965 2.965 774 HA ASP 100 HA ASP 100 24.899 1.437 1.437 775 1HB ASP 100 HB2 ASP 100 24.994 3.864 3.864 776 2HB ASP 100 HB1 ASP 100 25.436 4.270 4.270 777 H GLY 101 HN GLY 101 26.744 3.113 3.113 778 1HA GLY 101 HA2 GLY 101 27.146 1.101 1.101 779 2HA GLY 101 HA1 GLY 101 27.716 2.761 2.761 780 H LEU 102 HN LEU 102 24.403 2.953 2.953 781 HA LEU 102 HA LEU 102 23.829 3.921 3.921 782 1HB LEU 102 HB2 LEU 102 22.259 4.015 4.015 783 2HB LEU 102 HB1 LEU 102 21.861 2.331 2.331 784 HG LEU 102 HG LEU 102 21.389 4.683 4.683 785 1HD1 LEU 102 HD12 LEU 102 19.599 2.878 2.878 786 2HD1 LEU 102 HD11 LEU 102 19.000 3.858 3.858 787 3HD1 LEU 102 HD13 LEU 102 19.717 4.637 4.637 788 1HD2 LEU 102 HD21 LEU 102 21.092 1.704 1.704 789 2HD2 LEU 102 HD23 LEU 102 21.847 2.891 2.891 790 3HD2 LEU 102 HD22 LEU 102 20.096 2.855 2.855 791 H THR 103 HN THR 103 22.563 0.767 0.767 792 HA THR 103 HA THR 103 21.871 -0.890 -0.890 793 HB THR 103 HB THR 103 23.740 -1.974 -1.974 794 HG1 THR 103 HG1 THR 103 24.998 -2.403 -2.403 795 1HG2 THR 103 HG23 THR 103 25.412 0.100 0.100 796 2HG2 THR 103 HG22 THR 103 26.098 -1.346 -1.346 797 3HG2 THR 103 HG21 THR 103 25.282 -0.148 -0.148 798 H ALA 104 HN ALA 104 24.632 -0.687 -0.687 799 HA ALA 104 HA ALA 104 23.030 0.343 0.343 800 1HB ALA 104 HB2 ALA 104 25.573 -1.207 -1.207 801 2HB ALA 104 HB1 ALA 104 25.282 -0.317 -0.317 802 3HB ALA 104 HB3 ALA 104 24.149 -1.569 -1.569 803 H LEU 105 HN LEU 105 25.825 1.327 1.327 804 HA LEU 105 HA LEU 105 27.015 3.171 3.171 805 1HB LEU 105 HB2 LEU 105 26.632 3.677 3.677 806 2HB LEU 105 HB1 LEU 105 27.966 4.184 4.184 807 HG LEU 105 HG LEU 105 27.302 1.350 1.350 808 1HD1 LEU 105 HD11 LEU 105 28.411 2.735 2.735 809 2HD1 LEU 105 HD13 LEU 105 29.678 3.152 3.152 810 3HD1 LEU 105 HD12 LEU 105 29.503 1.486 1.486 811 1HD2 LEU 105 HD21 LEU 105 29.301 2.475 2.475 812 2HD2 LEU 105 HD23 LEU 105 28.130 1.180 1.180 813 3HD2 LEU 105 HD22 LEU 105 29.539 0.906 0.906 814 H GLU 106 HN GLU 106 24.803 4.248 4.248 815 HA GLU 106 HA GLU 106 24.453 6.768 6.768 816 1HB GLU 106 HB2 GLU 106 22.967 5.717 5.717 817 2HB GLU 106 HB1 GLU 106 23.152 7.402 7.402 818 1HG GLU 106 HG2 GLU 106 25.432 5.560 5.560 819 2HG GLU 106 HG1 GLU 106 24.722 6.781 6.781 820 H ALA 107 HN ALA 107 23.086 3.800 3.800 821 HA ALA 107 HA ALA 107 20.325 4.655 4.655 822 1HB ALA 107 HB2 ALA 107 21.822 2.185 2.185 823 2HB ALA 107 HB1 ALA 107 20.112 2.434 2.434 824 3HB ALA 107 HB3 ALA 107 20.667 2.339 2.339 825 H THR 108 HN THR 108 22.997 3.993 3.993 826 HA THR 108 HA THR 108 21.632 5.792 5.792 827 HB THR 108 HB THR 108 20.549 3.567 3.567 828 HG1 THR 108 HG1 THR 108 22.079 3.671 3.671 829 1HG2 THR 108 HG23 THR 108 22.756 2.412 2.412 830 2HG2 THR 108 HG22 THR 108 23.229 2.590 2.590 831 3HG2 THR 108 HG21 THR 108 21.799 1.649 1.649 832 H ASP 109 HN ASP 109 22.888 4.651 4.651 833 HA ASP 109 HA ASP 109 25.778 4.724 4.724 834 1HB ASP 109 HB2 ASP 109 25.012 7.121 7.121 835 2HB ASP 109 HB1 ASP 109 24.527 6.610 6.610 836 H ASN 110 HN ASN 110 23.105 3.396 3.396 837 HA ASN 110 HA ASN 110 24.381 2.730 2.730 838 1HB ASN 110 HB2 ASN 110 22.430 1.370 1.370 839 2HB ASN 110 HB1 ASN 110 21.870 2.881 2.881 840 1HD2 ASN 110 HD21 ASN 110 22.955 1.851 1.851 841 2HD2 ASN 110 HD22 ASN 110 21.741 0.801 0.801 842 H GLN 111 HN GLN 111 25.649 0.990 0.990 843 HA GLN 111 HA GLN 111 26.849 -0.302 -0.302 844 1HB GLN 111 HB2 GLN 111 28.346 -0.042 -0.042 845 2HB GLN 111 HB1 GLN 111 27.149 -0.314 -0.314 846 1HG GLN 111 HG2 GLN 111 27.212 -2.737 -2.737 847 2HG GLN 111 HG1 GLN 111 28.420 -2.450 -2.450 848 1HE2 GLN 111 HE21 GLN 111 30.221 -0.723 -0.723 849 2HE2 GLN 111 HE22 GLN 111 30.863 -1.304 -1.304 850 H ALA 112 HN ALA 112 23.843 -1.159 -1.159 851 HA ALA 112 HA ALA 112 24.251 -4.066 -4.066 852 1HB ALA 112 HB2 ALA 112 22.403 -3.078 -3.078 853 2HB ALA 112 HB1 ALA 112 21.680 -2.470 -2.470 854 3HB ALA 112 HB3 ALA 112 21.796 -4.207 -4.207 855 H ILE 113 HN ILE 113 22.973 -1.579 -1.579 856 HA ILE 113 HA ILE 113 22.210 -3.201 -3.201 857 HB ILE 113 HB ILE 113 22.806 -0.299 -0.299 858 1HG1 ILE 113 HG12 ILE 113 20.471 -0.112 -0.112 859 2HG1 ILE 113 HG11 ILE 113 20.392 -1.872 -1.872 860 1HG2 ILE 113 HG23 ILE 113 22.453 -1.573 -1.573 861 2HG2 ILE 113 HG22 ILE 113 22.200 0.148 0.148 862 3HG2 ILE 113 HG21 ILE 113 23.788 -0.570 -0.570 863 1HD1 ILE 113 HD13 ILE 113 21.343 -0.965 -0.965 864 2HD1 ILE 113 HD12 ILE 113 19.968 0.051 0.051 865 3HD1 ILE 113 HD11 ILE 113 19.781 -1.699 -1.699 866 H LYS 114 HN LYS 114 24.909 -0.972 -0.972 867 HA LYS 114 HA LYS 114 26.372 -1.663 -1.663 868 1HB LYS 114 HB2 LYS 114 27.823 -0.982 -0.982 869 2HB LYS 114 HB1 LYS 114 28.052 -0.330 -0.330 870 1HG LYS 114 HG2 LYS 114 25.506 0.476 0.476 871 2HG LYS 114 HG1 LYS 114 26.059 0.441 0.441 872 1HD LYS 114 HD2 LYS 114 26.558 2.625 2.625 873 2HD LYS 114 HD1 LYS 114 28.096 1.795 1.795 874 1HE LYS 114 HE2 LYS 114 26.472 1.527 1.527 875 2HE LYS 114 HE1 LYS 114 26.615 3.229 3.229 876 1HZ LYS 114 HZ2 LYS 114 29.112 2.265 2.265 877 2HZ LYS 114 HZ1 LYS 114 28.611 1.421 1.421 878 3HZ LYS 114 HZ3 LYS 114 28.595 3.117 3.117 879 H ALA 115 HN ALA 115 25.579 -3.594 -3.594 880 HA ALA 115 HA ALA 115 27.883 -5.293 -5.293 881 1HB ALA 115 HB1 ALA 115 25.789 -5.294 -5.294 882 2HB ALA 115 HB3 ALA 115 25.072 -6.329 -6.329 883 3HB ALA 115 HB2 ALA 115 26.539 -6.839 -6.839 884 H LEU 116 HN LEU 116 25.048 -5.010 -5.010 885 HA LEU 116 HA LEU 116 25.655 -7.412 -7.412 886 1HB LEU 116 HB2 LEU 116 23.732 -5.179 -5.179 887 2HB LEU 116 HB1 LEU 116 24.268 -5.788 -5.788 888 HG LEU 116 HG LEU 116 22.955 -7.369 -7.369 889 1HD1 LEU 116 HD13 LEU 116 22.171 -6.488 -6.488 890 2HD1 LEU 116 HD12 LEU 116 21.400 -7.879 -7.879 891 3HD1 LEU 116 HD11 LEU 116 21.283 -6.287 -6.287 892 1HD2 LEU 116 HD23 LEU 116 24.625 -8.248 -8.248 893 2HD2 LEU 116 HD22 LEU 116 24.271 -9.079 -9.079 894 3HD2 LEU 116 HD21 LEU 116 23.095 -9.101 -9.101 895 H LEU 117 HN LEU 117 27.099 -4.364 -4.364 896 HA LEU 117 HA LEU 117 28.113 -4.281 -4.281 897 1HB LEU 117 HB2 LEU 117 27.846 -2.319 -2.319 898 2HB LEU 117 HB1 LEU 117 29.549 -2.725 -2.725 899 HG LEU 117 HG LEU 117 29.301 -0.912 -0.912 900 1HD1 LEU 117 HD11 LEU 117 31.068 -2.661 -2.661 901 2HD1 LEU 117 HD13 LEU 117 29.962 -3.493 -3.493 902 3HD1 LEU 117 HD12 LEU 117 30.545 -1.878 -1.878 903 1HD2 LEU 117 HD21 LEU 117 27.060 -2.524 -2.524 904 2HD2 LEU 117 HD23 LEU 117 27.474 -0.868 -0.868 905 3HD2 LEU 117 HD22 LEU 117 28.147 -2.211 -2.211 906 H GLN 118 HN GLN 118 28.568 -6.316 -6.316 907 HA GLN 118 HA GLN 118 31.424 -6.490 -6.490 908 1HB GLN 118 HB2 GLN 118 30.972 -8.670 -8.670 909 2HB GLN 118 HB1 GLN 118 29.736 -7.542 -7.542 910 1HG GLN 118 HG2 GLN 118 28.448 -9.391 -9.391 911 2HG GLN 118 HG1 GLN 118 28.401 -8.403 -8.403 912 1HE2 GLN 118 HE21 GLN 118 31.049 -10.502 -10.502 913 2HE2 GLN 118 HE22 GLN 118 31.123 -11.484 -11.484 Start of MODEL 21 1 1H MET 1 HT2 MET 1 -11.840 -12.373 -12.373 2 2H MET 1 HT1 MET 1 -12.060 -13.439 -13.439 3 3H MET 1 HT3 MET 1 -10.748 -12.365 -12.365 4 HA MET 1 HA MET 1 -9.597 -14.122 -14.122 5 1HB MET 1 HB2 MET 1 -12.260 -15.145 -15.145 6 2HB MET 1 HB1 MET 1 -10.735 -16.012 -16.012 7 1HG MET 1 HG2 MET 1 -10.485 -15.811 -15.811 8 2HG MET 1 HG1 MET 1 -12.173 -15.305 -15.305 9 1HE MET 1 HE3 MET 1 -13.938 -16.341 -16.341 10 2HE MET 1 HE2 MET 1 -13.530 -17.399 -17.399 11 3HE MET 1 HE1 MET 1 -14.276 -18.074 -18.074 12 H CYS 2 HN CYS 2 -10.433 -11.601 -11.601 13 HA CYS 2 HA CYS 2 -10.107 -12.459 -12.459 14 1HB CYS 2 HB2 CYS 2 -11.862 -10.729 -10.729 15 2HB CYS 2 HB1 CYS 2 -10.498 -9.619 -9.619 16 HG CYS 2 HG CYS 2 -11.116 -9.281 -9.281 17 H ASP 3 HN ASP 3 -8.924 -9.825 -9.825 18 HA ASP 3 HA ASP 3 -6.179 -10.530 -10.530 19 1HB ASP 3 HB2 ASP 3 -7.558 -7.866 -7.866 20 2HB ASP 3 HB1 ASP 3 -5.818 -8.077 -8.077 21 H LYS 4 HN LYS 4 -8.087 -8.624 -8.624 22 HA LYS 4 HA LYS 4 -6.040 -7.374 -7.374 23 1HB LYS 4 HB2 LYS 4 -8.486 -8.583 -8.583 24 2HB LYS 4 HB1 LYS 4 -7.619 -7.118 -7.118 25 1HG LYS 4 HG2 LYS 4 -8.241 -6.338 -6.338 26 2HG LYS 4 HG1 LYS 4 -9.506 -7.558 -7.558 27 1HD LYS 4 HD2 LYS 4 -9.034 -5.281 -5.281 28 2HD LYS 4 HD1 LYS 4 -10.304 -5.329 -5.329 29 1HE LYS 4 HE2 LYS 4 -9.977 -7.178 -7.178 30 2HE LYS 4 HE1 LYS 4 -11.295 -6.046 -6.046 31 1HZ LYS 4 HZ3 LYS 4 -11.358 -7.510 -7.510 32 2HZ LYS 4 HZ2 LYS 4 -10.818 -8.679 -8.679 33 3HZ LYS 4 HZ1 LYS 4 -12.282 -7.859 -7.859 34 H GLU 5 HN GLU 5 -7.625 -10.449 -10.449 35 HA GLU 5 HA GLU 5 -5.851 -11.133 -11.133 36 1HB GLU 5 HB2 GLU 5 -7.609 -12.682 -12.682 37 2HB GLU 5 HB1 GLU 5 -6.377 -13.600 -13.600 38 1HG GLU 5 HG2 GLU 5 -8.197 -11.656 -11.656 39 2HG GLU 5 HG1 GLU 5 -8.654 -13.340 -13.340 40 H PHE 6 HN PHE 6 -5.390 -11.528 -11.528 41 HA PHE 6 HA PHE 6 -3.054 -13.169 -13.169 42 1HB PHE 6 HB2 PHE 6 -4.180 -12.979 -12.979 43 2HB PHE 6 HB1 PHE 6 -3.977 -11.230 -11.230 44 HD1 PHE 6 HD2 PHE 6 -1.772 -14.239 -14.239 45 HD2 PHE 6 HD1 PHE 6 -2.324 -10.455 -10.455 46 HE1 PHE 6 HE2 PHE 6 0.422 -14.501 -14.501 47 HE2 PHE 6 HE1 PHE 6 -0.131 -10.720 -10.720 48 HZ PHE 6 HZ PHE 6 1.242 -12.742 -12.742 49 H MET 7 HN MET 7 -3.236 -9.628 -9.628 50 HA MET 7 HA MET 7 -0.403 -9.312 -9.312 51 1HB MET 7 HB2 MET 7 -0.699 -7.065 -7.065 52 2HB MET 7 HB1 MET 7 -2.058 -7.794 -7.794 53 1HG MET 7 HG2 MET 7 -3.464 -7.322 -7.322 54 2HG MET 7 HG1 MET 7 -2.107 -6.377 -6.377 55 1HE MET 7 HE1 MET 7 -4.460 -7.153 -7.153 56 2HE MET 7 HE3 MET 7 -4.945 -5.632 -5.632 57 3HE MET 7 HE2 MET 7 -3.487 -6.460 -6.460 58 H TRP 8 HN TRP 8 -3.331 -8.660 -8.660 59 HA TRP 8 HA TRP 8 -2.165 -7.455 -7.455 60 1HB TRP 8 HB2 TRP 8 -4.652 -7.898 -7.898 61 2HB TRP 8 HB1 TRP 8 -4.384 -9.500 -9.500 62 HD1 TRP 8 HD1 TRP 8 -3.724 -9.640 -9.640 63 HE1 TRP 8 HE1 TRP 8 -4.150 -8.004 -8.004 64 HE3 TRP 8 HE3 TRP 8 -4.856 -5.416 -5.416 65 HZ2 TRP 8 HZ2 TRP 8 -4.873 -5.264 -5.264 66 HZ3 TRP 8 HZ3 TRP 8 -5.409 -3.309 -3.309 67 HH2 TRP 8 HH2 TRP 8 -5.419 -3.227 -3.227 68 H ALA 9 HN ALA 9 -1.581 -10.582 -10.582 69 HA ALA 9 HA ALA 9 -0.975 -11.751 -11.751 70 1HB ALA 9 HB3 ALA 9 -0.577 -12.816 -12.816 71 2HB ALA 9 HB2 ALA 9 -0.301 -13.739 -13.739 72 3HB ALA 9 HB1 ALA 9 -1.926 -13.185 -13.185 73 H LEU 10 HN LEU 10 0.870 -10.829 -10.829 74 HA LEU 10 HA LEU 10 3.450 -11.459 -11.459 75 1HB LEU 10 HB2 LEU 10 2.565 -9.113 -9.113 76 2HB LEU 10 HB1 LEU 10 4.248 -9.564 -9.564 77 HG LEU 10 HG LEU 10 3.274 -11.956 -11.956 78 1HD1 LEU 10 HD12 LEU 10 0.997 -10.849 -10.849 79 2HD1 LEU 10 HD11 LEU 10 1.742 -9.930 -9.930 80 3HD1 LEU 10 HD13 LEU 10 1.647 -11.686 -11.686 81 1HD2 LEU 10 HD22 LEU 10 4.168 -9.627 -9.627 82 2HD2 LEU 10 HD21 LEU 10 5.205 -10.847 -10.847 83 3HD2 LEU 10 HD23 LEU 10 4.096 -11.295 -11.295 84 H LYS 11 HN LYS 11 1.196 -9.233 -9.233 85 HA LYS 11 HA LYS 11 3.131 -7.400 -7.400 86 1HB LYS 11 HB2 LYS 11 1.030 -6.603 -6.603 87 2HB LYS 11 HB1 LYS 11 0.124 -7.584 -7.584 88 1HG LYS 11 HG2 LYS 11 1.847 -6.090 -6.090 89 2HG LYS 11 HG1 LYS 11 1.375 -4.947 -4.947 90 1HD LYS 11 HD2 LYS 11 -0.603 -6.635 -6.635 91 2HD LYS 11 HD1 LYS 11 -0.160 -4.983 -4.983 92 1HE LYS 11 HE2 LYS 11 -1.103 -5.622 -5.622 93 2HE LYS 11 HE1 LYS 11 -2.266 -5.353 -5.353 94 1HZ LYS 11 HZ2 LYS 11 -0.994 -3.241 -3.241 95 2HZ LYS 11 HZ1 LYS 11 -0.217 -3.483 -3.483 96 3HZ LYS 11 HZ3 LYS 11 -1.899 -3.269 -3.269 97 H ASN 12 HN ASN 12 0.281 -9.089 -9.089 98 HA ASN 12 HA ASN 12 1.396 -8.950 -8.950 99 1HB ASN 12 HB2 ASN 12 -1.040 -8.834 -8.834 100 2HB ASN 12 HB1 ASN 12 -0.973 -10.561 -10.561 101 1HD2 ASN 12 HD21 ASN 12 -1.108 -8.141 -8.141 102 2HD2 ASN 12 HD22 ASN 12 -1.137 -9.217 -9.217 103 H GLY 13 HN GLY 13 2.778 -10.666 -10.666 104 1HA GLY 13 HA2 GLY 13 3.961 -12.678 -12.678 105 2HA GLY 13 HA1 GLY 13 3.705 -12.678 -12.678 106 H ASP 14 HN ASP 14 0.819 -12.627 -12.627 107 HA ASP 14 HA ASP 14 0.012 -15.180 -15.180 108 1HB ASP 14 HB2 ASP 14 -1.244 -13.873 -13.873 109 2HB ASP 14 HB1 ASP 14 -1.978 -14.903 -14.903 110 H LEU 15 HN LEU 15 2.367 -15.555 -15.555 111 HA LEU 15 HA LEU 15 2.914 -16.221 -16.221 112 1HB LEU 15 HB2 LEU 15 4.403 -16.417 -16.417 113 2HB LEU 15 HB1 LEU 15 3.563 -17.885 -17.885 114 HG LEU 15 HG LEU 15 5.840 -17.953 -17.953 115 1HD1 LEU 15 HD11 LEU 15 3.423 -19.693 -19.693 116 2HD1 LEU 15 HD13 LEU 15 4.788 -20.071 -20.071 117 3HD1 LEU 15 HD12 LEU 15 4.998 -20.021 -20.021 118 1HD2 LEU 15 HD23 LEU 15 4.929 -16.547 -16.547 119 2HD2 LEU 15 HD22 LEU 15 5.576 -18.096 -18.096 120 3HD2 LEU 15 HD21 LEU 15 3.842 -17.871 -17.871 121 H ASP 16 HN ASP 16 0.803 -17.945 -17.945 122 HA ASP 16 HA ASP 16 0.506 -20.337 -20.337 123 1HB ASP 16 HB2 ASP 16 -1.546 -19.019 -19.019 124 2HB ASP 16 HB1 ASP 16 -1.421 -20.729 -20.729 125 H GLU 17 HN GLU 17 -0.916 -17.141 -17.141 126 HA GLU 17 HA GLU 17 -3.073 -17.956 -17.956 127 1HB GLU 17 HB2 GLU 17 -1.969 -15.290 -15.290 128 2HB GLU 17 HB1 GLU 17 -3.259 -15.416 -15.416 129 1HG GLU 17 HG2 GLU 17 -3.398 -16.735 -16.735 130 2HG GLU 17 HG1 GLU 17 -4.040 -15.124 -15.124 131 H VAL 18 HN VAL 18 0.049 -16.231 -16.231 132 HA VAL 18 HA VAL 18 -0.306 -15.988 -15.988 133 HB VAL 18 HB VAL 18 2.441 -16.255 -16.255 134 1HG1 VAL 18 HG12 VAL 18 0.987 -14.323 -14.323 135 2HG1 VAL 18 HG11 VAL 18 1.088 -13.656 -13.656 136 3HG1 VAL 18 HG13 VAL 18 2.555 -13.937 -13.937 137 1HG2 VAL 18 HG22 VAL 18 1.808 -16.586 -16.586 138 2HG2 VAL 18 HG21 VAL 18 3.108 -15.479 -15.479 139 3HG2 VAL 18 HG23 VAL 18 1.516 -14.850 -14.850 140 H LYS 19 HN LYS 19 1.057 -18.434 -18.434 141 HA LYS 19 HA LYS 19 2.211 -20.200 -20.200 142 1HB LYS 19 HB2 LYS 19 0.713 -20.492 -20.492 143 2HB LYS 19 HB1 LYS 19 1.164 -21.942 -21.942 144 1HG LYS 19 HG2 LYS 19 3.247 -19.841 -19.841 145 2HG LYS 19 HG1 LYS 19 2.801 -20.905 -20.905 146 1HD LYS 19 HD2 LYS 19 3.301 -22.872 -22.872 147 2HD LYS 19 HD1 LYS 19 3.668 -21.854 -21.854 148 1HE LYS 19 HE2 LYS 19 5.785 -22.303 -22.303 149 2HE LYS 19 HE1 LYS 19 5.403 -20.725 -20.725 150 1HZ LYS 19 HZ2 LYS 19 4.477 -21.936 -21.936 151 2HZ LYS 19 HZ1 LYS 19 5.179 -23.353 -23.353 152 3HZ LYS 19 HZ3 LYS 19 6.162 -22.041 -22.041 153 H ASP 20 HN ASP 20 -1.198 -19.721 -19.721 154 HA ASP 20 HA ASP 20 -2.193 -21.980 -21.980 155 1HB ASP 20 HB2 ASP 20 -3.503 -20.538 -20.538 156 2HB ASP 20 HB1 ASP 20 -3.589 -19.315 -19.315 157 H TYR 21 HN TYR 21 -2.038 -18.566 -18.566 158 HA TYR 21 HA TYR 21 -2.847 -19.148 -19.148 159 1HB TYR 21 HB2 TYR 21 -1.130 -16.897 -16.897 160 2HB TYR 21 HB1 TYR 21 -1.775 -16.949 -16.949 161 HD1 TYR 21 HD1 TYR 21 -2.637 -16.672 -16.672 162 HD2 TYR 21 HD2 TYR 21 -4.133 -16.607 -16.607 163 HE1 TYR 21 HE1 TYR 21 -4.789 -15.746 -15.746 164 HE2 TYR 21 HE2 TYR 21 -6.285 -15.682 -15.682 165 HH TYR 21 HH TYR 21 -7.556 -15.375 -15.375 166 H VAL 22 HN VAL 22 0.429 -18.661 -18.661 167 HA VAL 22 HA VAL 22 1.763 -19.335 -19.335 168 HB VAL 22 HB VAL 22 2.677 -19.206 -19.206 169 1HG1 VAL 22 HG11 VAL 22 4.268 -19.800 -19.800 170 2HG1 VAL 22 HG13 VAL 22 4.997 -19.256 -19.256 171 3HG1 VAL 22 HG12 VAL 22 4.145 -20.797 -20.797 172 1HG2 VAL 22 HG22 VAL 22 2.025 -17.110 -17.110 173 2HG2 VAL 22 HG21 VAL 22 3.730 -17.142 -17.142 174 3HG2 VAL 22 HG23 VAL 22 3.251 -17.461 -17.461 175 H ALA 23 HN ALA 23 0.463 -21.284 -21.284 176 HA ALA 23 HA ALA 23 1.992 -23.655 -23.655 177 1HB ALA 23 HB2 ALA 23 -0.764 -23.127 -23.127 178 2HB ALA 23 HB1 ALA 23 -0.231 -24.781 -24.781 179 3HB ALA 23 HB3 ALA 23 0.656 -23.753 -23.753 180 H LYS 24 HN LYS 24 -0.398 -22.035 -22.035 181 HA LYS 24 HA LYS 24 -1.570 -24.135 -24.135 182 1HB LYS 24 HB2 LYS 24 -2.156 -21.626 -21.626 183 2HB LYS 24 HB1 LYS 24 -0.897 -21.445 -21.445 184 1HG LYS 24 HG2 LYS 24 -2.204 -23.493 -23.493 185 2HG LYS 24 HG1 LYS 24 -3.548 -22.822 -22.822 186 1HD LYS 24 HD2 LYS 24 -1.801 -21.185 -21.185 187 2HD LYS 24 HD1 LYS 24 -3.323 -21.916 -21.916 188 1HE LYS 24 HE2 LYS 24 -4.426 -20.700 -20.700 189 2HE LYS 24 HE1 LYS 24 -2.909 -19.826 -19.826 190 1HZ LYS 24 HZ3 LYS 24 -4.213 -19.931 -19.931 191 2HZ LYS 24 HZ2 LYS 24 -4.716 -18.798 -18.798 192 3HZ LYS 24 HZ1 LYS 24 -3.113 -18.788 -18.788 193 H GLY 25 HN GLY 25 0.696 -21.940 -21.940 194 1HA GLY 25 HA2 GLY 25 2.385 -24.221 -24.221 195 2HA GLY 25 HA1 GLY 25 1.537 -23.394 -23.394 196 H GLU 26 HN GLU 26 3.576 -22.635 -22.635 197 HA GLU 26 HA GLU 26 5.017 -20.786 -20.786 198 1HB GLU 26 HB2 GLU 26 6.886 -20.877 -20.877 199 2HB GLU 26 HB1 GLU 26 6.606 -22.327 -22.327 200 1HG GLU 26 HG2 GLU 26 5.305 -23.318 -23.318 201 2HG GLU 26 HG1 GLU 26 5.467 -21.839 -21.839 202 H ASP 27 HN ASP 27 3.228 -19.217 -19.217 203 HA ASP 27 HA ASP 27 3.629 -17.766 -17.766 204 1HB ASP 27 HB2 ASP 27 1.341 -17.843 -17.843 205 2HB ASP 27 HB1 ASP 27 1.476 -16.573 -16.573 206 H VAL 28 HN VAL 28 5.633 -17.481 -17.481 207 HA VAL 28 HA VAL 28 5.086 -14.992 -14.992 208 HB VAL 28 HB VAL 28 7.277 -15.431 -15.431 209 1HG1 VAL 28 HG11 VAL 28 5.351 -17.770 -17.770 210 2HG1 VAL 28 HG13 VAL 28 6.603 -17.574 -17.574 211 3HG1 VAL 28 HG12 VAL 28 5.289 -16.407 -16.407 212 1HG2 VAL 28 HG22 VAL 28 7.354 -17.531 -17.531 213 2HG2 VAL 28 HG21 VAL 28 8.658 -16.532 -16.532 214 3HG2 VAL 28 HG23 VAL 28 8.073 -17.909 -17.909 215 H ASN 29 HN ASN 29 4.935 -14.060 -14.060 216 HA ASN 29 HA ASN 29 7.204 -12.408 -12.408 217 1HB ASN 29 HB2 ASN 29 7.515 -13.374 -13.374 218 2HB ASN 29 HB1 ASN 29 8.359 -14.139 -14.139 219 1HD2 ASN 29 HD21 ASN 29 7.303 -16.127 -16.127 220 2HD2 ASN 29 HD22 ASN 29 6.313 -17.073 -17.073 221 H ARG 30 HN ARG 30 4.261 -12.453 -12.453 222 HA ARG 30 HA ARG 30 3.402 -11.279 -11.279 223 1HB ARG 30 HB2 ARG 30 1.090 -11.470 -11.470 224 2HB ARG 30 HB1 ARG 30 1.819 -12.918 -12.918 225 1HG ARG 30 HG2 ARG 30 2.649 -13.634 -13.634 226 2HG ARG 30 HG1 ARG 30 2.326 -12.076 -12.076 227 1HD ARG 30 HD2 ARG 30 0.652 -14.083 -14.083 228 2HD ARG 30 HD1 ARG 30 0.030 -12.453 -12.453 229 HE ARG 30 HE ARG 30 0.202 -13.540 -13.540 230 1HH1 ARG 30 HH21 ARG 30 -1.255 -14.367 -14.367 231 2HH1 ARG 30 HH22 ARG 30 -2.580 -15.216 -15.216 232 1HH2 ARG 30 HH11 ARG 30 -1.518 -14.645 -14.645 233 2HH2 ARG 30 HH12 ARG 30 -2.728 -15.376 -15.376 234 H THR 31 HN THR 31 2.638 -9.183 -9.183 235 HA THR 31 HA THR 31 3.656 -7.338 -7.338 236 HB THR 31 HB THR 31 1.161 -6.685 -6.685 237 HG1 THR 31 HG1 THR 31 3.763 -6.983 -6.983 238 1HG2 THR 31 HG21 THR 31 2.274 -4.966 -4.966 239 2HG2 THR 31 HG23 THR 31 3.774 -5.229 -5.229 240 3HG2 THR 31 HG22 THR 31 2.364 -4.564 -4.564 241 H LEU 32 HN LEU 32 2.894 -6.628 -6.628 242 HA LEU 32 HA LEU 32 0.679 -8.052 -8.052 243 1HB LEU 32 HB2 LEU 32 2.939 -6.752 -6.752 244 2HB LEU 32 HB1 LEU 32 1.650 -5.676 -5.676 245 HG LEU 32 HG LEU 32 1.646 -8.661 -8.661 246 1HD1 LEU 32 HD12 LEU 32 3.490 -7.291 -7.291 247 2HD1 LEU 32 HD11 LEU 32 2.187 -6.476 -6.476 248 3HD1 LEU 32 HD13 LEU 32 2.419 -8.213 -8.213 249 1HD2 LEU 32 HD22 LEU 32 -0.571 -7.528 -7.528 250 2HD2 LEU 32 HD21 LEU 32 -0.167 -8.105 -8.105 251 3HD2 LEU 32 HD23 LEU 32 0.000 -6.394 -6.394 252 H GLU 33 HN GLU 33 0.924 -4.557 -4.557 253 HA GLU 33 HA GLU 33 -1.961 -4.355 -4.355 254 1HB GLU 33 HB2 GLU 33 -1.757 -2.098 -2.098 255 2HB GLU 33 HB1 GLU 33 -0.765 -3.147 -3.147 256 1HG GLU 33 HG2 GLU 33 1.180 -2.525 -2.525 257 2HG GLU 33 HG1 GLU 33 0.135 -1.227 -1.227 258 H GLY 34 HN GLY 34 0.949 -2.970 -2.970 259 1HA GLY 34 HA2 GLY 34 -0.530 -2.885 -2.885 260 2HA GLY 34 HA1 GLY 34 -0.244 -1.286 -1.286 261 H GLY 35 HN GLY 35 2.355 -2.291 -2.291 262 1HA GLY 35 HA2 GLY 35 3.992 -2.941 -2.941 263 2HA GLY 35 HA1 GLY 35 4.214 -1.299 -1.299 264 H ARG 36 HN ARG 36 3.339 -3.676 -3.676 265 HA ARG 36 HA ARG 36 6.154 -3.728 -3.728 266 1HB ARG 36 HB2 ARG 36 3.671 -4.054 -4.054 267 2HB ARG 36 HB1 ARG 36 5.296 -3.590 -3.590 268 1HG ARG 36 HG2 ARG 36 5.050 -1.506 -1.506 269 2HG ARG 36 HG1 ARG 36 3.361 -1.944 -1.944 270 1HD ARG 36 HD2 ARG 36 3.407 -0.414 -0.414 271 2HD ARG 36 HD1 ARG 36 3.146 -2.014 -2.014 272 HE ARG 36 HE ARG 36 5.899 -1.717 -1.717 273 1HH1 ARG 36 HH21 ARG 36 3.166 0.084 0.084 274 2HH1 ARG 36 HH22 ARG 36 3.999 0.782 0.782 275 1HH2 ARG 36 HH11 ARG 36 7.000 -0.812 -0.812 276 2HH2 ARG 36 HH12 ARG 36 6.169 0.275 0.275 277 H LYS 37 HN LYS 37 6.665 -5.709 -5.709 278 HA LYS 37 HA LYS 37 5.253 -8.097 -8.097 279 1HB LYS 37 HB2 LYS 37 7.746 -8.999 -8.999 280 2HB LYS 37 HB1 LYS 37 7.321 -8.603 -8.603 281 1HG LYS 37 HG2 LYS 37 9.333 -7.394 -7.394 282 2HG LYS 37 HG1 LYS 37 8.019 -6.228 -6.228 283 1HD LYS 37 HD2 LYS 37 7.750 -6.601 -6.601 284 2HD LYS 37 HD1 LYS 37 9.337 -7.352 -7.352 285 1HE LYS 37 HE2 LYS 37 8.567 -4.493 -4.493 286 2HE LYS 37 HE1 LYS 37 9.887 -5.134 -5.134 287 1HZ LYS 37 HZ1 LYS 37 9.927 -5.725 -5.725 288 2HZ LYS 37 HZ3 LYS 37 10.278 -4.131 -4.131 289 3HZ LYS 37 HZ2 LYS 37 11.215 -5.415 -5.415 290 HA PRO 38 HA PRO 38 4.315 -9.432 -9.432 291 1HB PRO 38 HB2 PRO 38 4.837 -12.189 -12.189 292 2HB PRO 38 HB1 PRO 38 3.332 -11.375 -11.375 293 1HG PRO 38 HG2 PRO 38 5.409 -12.474 -12.474 294 2HG PRO 38 HG1 PRO 38 3.753 -11.990 -11.990 295 1HD PRO 38 HD2 PRO 38 6.142 -10.557 -10.557 296 2HD PRO 38 HD1 PRO 38 4.475 -9.996 -9.996 297 H LEU 39 HN LEU 39 7.126 -8.526 -8.526 298 HA LEU 39 HA LEU 39 8.332 -10.296 -10.296 299 1HB LEU 39 HB2 LEU 39 9.296 -10.584 -10.584 300 2HB LEU 39 HB1 LEU 39 9.891 -8.946 -8.946 301 HG LEU 39 HG LEU 39 11.540 -9.522 -9.522 302 1HD1 LEU 39 HD11 LEU 39 9.812 -11.824 -11.824 303 2HD1 LEU 39 HD13 LEU 39 11.451 -11.511 -11.511 304 3HD1 LEU 39 HD12 LEU 39 10.181 -10.340 -10.340 305 1HD2 LEU 39 HD21 LEU 39 11.615 -10.983 -10.983 306 2HD2 LEU 39 HD23 LEU 39 12.657 -11.432 -11.432 307 3HD2 LEU 39 HD22 LEU 39 11.152 -12.308 -12.308 308 H HIS 40 HN HIS 40 7.580 -7.135 -7.135 309 HA HIS 40 HA HIS 40 9.517 -5.714 -5.714 310 1HB HIS 40 HB2 HIS 40 8.613 -4.593 -4.593 311 2HB HIS 40 HB1 HIS 40 6.962 -4.844 -4.844 312 HD1 HIS 40 HD1 HIS 40 6.297 -3.541 -3.541 313 HD2 HIS 40 HD2 HIS 40 9.823 -2.282 -2.282 314 HE1 HIS 40 HE1 HIS 40 6.849 -1.274 -1.274 315 H TYR 41 HN TYR 41 6.060 -6.529 -6.529 316 HA TYR 41 HA TYR 41 5.807 -5.246 -5.246 317 1HB TYR 41 HB2 TYR 41 4.136 -7.462 -7.462 318 2HB TYR 41 HB1 TYR 41 3.670 -6.444 -6.444 319 HD1 TYR 41 HD1 TYR 41 4.669 -6.337 -6.337 320 HD2 TYR 41 HD2 TYR 41 2.678 -4.338 -4.338 321 HE1 TYR 41 HE1 TYR 41 3.841 -4.615 -4.615 322 HE2 TYR 41 HE2 TYR 41 1.849 -2.616 -2.616 323 HH TYR 41 HH TYR 41 2.162 -1.737 -1.737 324 H ALA 42 HN ALA 42 6.504 -8.524 -8.524 325 HA ALA 42 HA ALA 42 6.556 -9.755 -9.755 326 1HB ALA 42 HB2 ALA 42 7.732 -10.466 -10.466 327 2HB ALA 42 HB1 ALA 42 8.058 -11.443 -11.443 328 3HB ALA 42 HB3 ALA 42 6.405 -11.250 -11.250 329 H ALA 43 HN ALA 43 9.139 -8.616 -8.616 330 HA ALA 43 HA ALA 43 11.293 -8.941 -8.941 331 1HB ALA 43 HB1 ALA 43 10.818 -6.790 -6.790 332 2HB ALA 43 HB3 ALA 43 12.372 -7.103 -7.103 333 3HB ALA 43 HB2 ALA 43 11.636 -8.330 -8.330 334 H ASP 44 HN ASP 44 9.439 -5.974 -5.974 335 HA ASP 44 HA ASP 44 10.449 -4.371 -4.371 336 1HB ASP 44 HB2 ASP 44 9.058 -3.498 -3.498 337 2HB ASP 44 HB1 ASP 44 7.666 -4.384 -4.384 338 H CYS 45 HN CYS 45 7.813 -6.768 -6.768 339 HA CYS 45 HA CYS 45 8.082 -6.802 -6.802 340 1HB CYS 45 HB2 CYS 45 5.703 -5.551 -5.551 341 2HB CYS 45 HB1 CYS 45 5.528 -6.324 -6.324 342 HG CYS 45 HG CYS 45 7.600 -4.627 -4.627 343 H GLY 46 HN GLY 46 8.585 -8.951 -8.951 344 1HA GLY 46 HA2 GLY 46 6.054 -10.554 -10.554 345 2HA GLY 46 HA1 GLY 46 7.526 -10.926 -10.926 346 H GLN 47 HN GLN 47 7.624 -9.916 -9.916 347 HA GLN 47 HA GLN 47 8.525 -11.072 -11.072 348 1HB GLN 47 HB2 GLN 47 6.801 -13.156 -13.156 349 2HB GLN 47 HB1 GLN 47 7.708 -13.532 -13.532 350 1HG GLN 47 HG2 GLN 47 5.293 -12.727 -12.727 351 2HG GLN 47 HG1 GLN 47 6.522 -11.916 -11.916 352 1HE2 GLN 47 HE21 GLN 47 5.041 -11.551 -11.551 353 2HE2 GLN 47 HE22 GLN 47 4.933 -9.859 -9.859 354 H LEU 48 HN LEU 48 9.630 -11.212 -11.212 355 HA LEU 48 HA LEU 48 11.579 -11.918 -11.918 356 1HB LEU 48 HB2 LEU 48 12.171 -12.832 -12.832 357 2HB LEU 48 HB1 LEU 48 13.308 -12.953 -12.953 358 HG LEU 48 HG LEU 48 13.966 -10.860 -10.860 359 1HD1 LEU 48 HD13 LEU 48 11.164 -10.019 -10.019 360 2HD1 LEU 48 HD12 LEU 48 12.532 -8.935 -8.935 361 3HD1 LEU 48 HD11 LEU 48 12.551 -10.163 -10.163 362 1HD2 LEU 48 HD22 LEU 48 11.551 -10.796 -10.796 363 2HD2 LEU 48 HD21 LEU 48 13.246 -10.958 -10.958 364 3HD2 LEU 48 HD23 LEU 48 12.640 -9.418 -9.418 365 H GLU 49 HN GLU 49 9.254 -13.927 -13.927 366 HA GLU 49 HA GLU 49 10.622 -16.397 -16.397 367 1HB GLU 49 HB2 GLU 49 7.740 -16.137 -16.137 368 2HB GLU 49 HB1 GLU 49 8.758 -17.560 -17.560 369 1HG GLU 49 HG2 GLU 49 10.162 -16.348 -16.348 370 2HG GLU 49 HG1 GLU 49 8.890 -15.128 -15.128 371 H ILE 50 HN ILE 50 8.026 -14.208 -14.208 372 HA ILE 50 HA ILE 50 7.086 -15.715 -15.715 373 HB ILE 50 HB ILE 50 6.975 -12.723 -12.723 374 1HG1 ILE 50 HG12 ILE 50 5.789 -14.887 -14.887 375 2HG1 ILE 50 HG11 ILE 50 5.950 -13.182 -13.182 376 1HG2 ILE 50 HG22 ILE 50 5.224 -14.754 -14.754 377 2HG2 ILE 50 HG21 ILE 50 4.854 -13.044 -13.044 378 3HG2 ILE 50 HG23 ILE 50 6.269 -13.574 -13.574 379 1HD1 ILE 50 HD11 ILE 50 3.869 -14.132 -14.132 380 2HD1 ILE 50 HD13 ILE 50 3.567 -14.186 -14.186 381 3HD1 ILE 50 HD12 ILE 50 3.899 -12.655 -12.655 382 H LEU 51 HN LEU 51 9.626 -13.222 -13.222 383 HA LEU 51 HA LEU 51 9.874 -13.031 -13.031 384 1HB LEU 51 HB2 LEU 51 12.441 -12.550 -12.550 385 2HB LEU 51 HB1 LEU 51 11.180 -11.331 -11.331 386 HG LEU 51 HG LEU 51 12.494 -11.261 -11.261 387 1HD1 LEU 51 HD12 LEU 51 9.721 -11.292 -11.292 388 2HD1 LEU 51 HD11 LEU 51 10.091 -12.281 -12.281 389 3HD1 LEU 51 HD13 LEU 51 10.701 -10.641 -10.641 390 1HD2 LEU 51 HD22 LEU 51 12.928 -13.808 -13.808 391 2HD2 LEU 51 HD21 LEU 51 12.789 -13.036 -13.036 392 3HD2 LEU 51 HD23 LEU 51 11.425 -13.940 -13.940 393 H GLU 52 HN GLU 52 11.710 -15.005 -15.005 394 HA GLU 52 HA GLU 52 13.240 -16.461 -16.461 395 1HB GLU 52 HB2 GLU 52 12.439 -16.729 -16.729 396 2HB GLU 52 HB1 GLU 52 12.612 -18.291 -18.291 397 1HG GLU 52 HG2 GLU 52 14.751 -16.201 -16.201 398 2HG GLU 52 HG1 GLU 52 14.692 -17.209 -17.209 399 H PHE 53 HN PHE 53 9.894 -16.890 -16.890 400 HA PHE 53 HA PHE 53 9.470 -19.491 -19.491 401 1HB PHE 53 HB2 PHE 53 7.782 -18.616 -18.616 402 2HB PHE 53 HB1 PHE 53 7.628 -17.153 -17.153 403 HD1 PHE 53 HD1 PHE 53 7.736 -20.771 -20.771 404 HD2 PHE 53 HD2 PHE 53 5.472 -17.118 -17.118 405 HE1 PHE 53 HE1 PHE 53 5.981 -21.838 -21.838 406 HE2 PHE 53 HE2 PHE 53 3.710 -18.194 -18.194 407 HZ PHE 53 HZ PHE 53 3.971 -20.554 -20.554 408 H LEU 54 HN LEU 54 7.705 -16.911 -16.911 409 HA LEU 54 HA LEU 54 7.508 -18.202 -18.202 410 1HB LEU 54 HB2 LEU 54 7.277 -15.635 -15.635 411 2HB LEU 54 HB1 LEU 54 6.006 -16.508 -16.508 412 HG LEU 54 HG LEU 54 6.703 -15.582 -15.582 413 1HD1 LEU 54 HD12 LEU 54 8.901 -14.394 -14.394 414 2HD1 LEU 54 HD11 LEU 54 8.434 -13.686 -13.686 415 3HD1 LEU 54 HD13 LEU 54 9.056 -15.329 -15.329 416 1HD2 LEU 54 HD23 LEU 54 5.124 -14.321 -14.321 417 2HD2 LEU 54 HD22 LEU 54 6.108 -13.247 -13.247 418 3HD2 LEU 54 HD21 LEU 54 6.490 -13.466 -13.466 419 H LEU 55 HN LEU 55 10.241 -16.511 -16.511 420 HA LEU 55 HA LEU 55 11.426 -15.931 -15.931 421 1HB LEU 55 HB2 LEU 55 12.024 -14.821 -14.821 422 2HB LEU 55 HB1 LEU 55 12.894 -16.296 -16.296 423 HG LEU 55 HG LEU 55 13.405 -14.712 -14.712 424 1HD1 LEU 55 HD12 LEU 55 14.594 -14.473 -14.473 425 2HD1 LEU 55 HD11 LEU 55 15.511 -14.011 -14.011 426 3HD1 LEU 55 HD13 LEU 55 13.996 -13.194 -13.194 427 1HD2 LEU 55 HD21 LEU 55 14.649 -17.094 -17.094 428 2HD2 LEU 55 HD23 LEU 55 14.408 -16.770 -16.770 429 3HD2 LEU 55 HD22 LEU 55 15.710 -15.973 -15.973 430 H LEU 56 HN LEU 56 11.790 -18.538 -18.538 431 HA LEU 56 HA LEU 56 13.776 -19.947 -19.947 432 1HB LEU 56 HB2 LEU 56 13.482 -21.731 -21.731 433 2HB LEU 56 HB1 LEU 56 13.011 -20.328 -20.328 434 HG LEU 56 HG LEU 56 10.603 -20.997 -20.997 435 1HD1 LEU 56 HD12 LEU 56 11.609 -23.002 -23.002 436 2HD1 LEU 56 HD11 LEU 56 12.043 -23.620 -23.620 437 3HD1 LEU 56 HD13 LEU 56 10.349 -23.425 -23.425 438 1HD2 LEU 56 HD23 LEU 56 11.297 -20.678 -20.678 439 2HD2 LEU 56 HD22 LEU 56 10.033 -21.866 -21.866 440 3HD2 LEU 56 HD21 LEU 56 11.688 -22.395 -22.395 441 H LYS 57 HN LYS 57 10.314 -19.800 -19.800 442 HA LYS 57 HA LYS 57 10.051 -22.072 -22.072 443 1HB LYS 57 HB2 LYS 57 8.392 -19.737 -19.737 444 2HB LYS 57 HB1 LYS 57 8.131 -20.269 -20.269 445 1HG LYS 57 HG2 LYS 57 6.574 -21.482 -21.482 446 2HG LYS 57 HG1 LYS 57 7.842 -22.625 -22.625 447 1HD LYS 57 HD2 LYS 57 8.985 -22.050 -22.050 448 2HD LYS 57 HD1 LYS 57 7.527 -21.164 -21.164 449 1HE LYS 57 HE2 LYS 57 7.670 -24.107 -24.107 450 2HE LYS 57 HE1 LYS 57 7.441 -23.445 -23.445 451 1HZ LYS 57 HZ3 LYS 57 5.610 -22.740 -22.740 452 2HZ LYS 57 HZ2 LYS 57 5.389 -24.168 -24.168 453 3HZ LYS 57 HZ1 LYS 57 5.340 -22.661 -22.661 454 H GLY 58 HN GLY 58 9.475 -18.803 -18.803 455 1HA GLY 58 HA2 GLY 58 11.146 -19.315 -19.315 456 2HA GLY 58 HA1 GLY 58 10.007 -17.981 -17.981 457 H ALA 59 HN ALA 59 11.015 -16.019 -16.019 458 HA ALA 59 HA ALA 59 12.748 -15.453 -15.453 459 1HB ALA 59 HB1 ALA 59 14.156 -16.674 -16.674 460 2HB ALA 59 HB3 ALA 59 14.920 -15.261 -15.261 461 3HB ALA 59 HB2 ALA 59 14.575 -16.671 -16.671 462 H ASP 60 HN ASP 60 11.242 -13.659 -13.659 463 HA ASP 60 HA ASP 60 11.746 -11.831 -11.831 464 1HB ASP 60 HB2 ASP 60 9.517 -11.851 -11.851 465 2HB ASP 60 HB1 ASP 60 10.202 -11.501 -11.501 466 H ILE 61 HN ILE 61 13.511 -12.840 -12.840 467 HA ILE 61 HA ILE 61 14.500 -10.706 -10.706 468 HB ILE 61 HB ILE 61 15.010 -13.207 -13.207 469 1HG1 ILE 61 HG12 ILE 61 17.106 -11.056 -11.056 470 2HG1 ILE 61 HG11 ILE 61 16.183 -11.882 -11.882 471 1HG2 ILE 61 HG22 ILE 61 15.745 -13.181 -13.181 472 2HG2 ILE 61 HG21 ILE 61 17.270 -12.522 -12.522 473 3HG2 ILE 61 HG23 ILE 61 16.727 -14.111 -14.111 474 1HD1 ILE 61 HD12 ILE 61 17.374 -14.038 -14.038 475 2HD1 ILE 61 HD11 ILE 61 18.545 -12.892 -12.892 476 3HD1 ILE 61 HD13 ILE 61 18.244 -12.956 -12.956 477 H ASN 62 HN ASN 62 15.052 -11.449 -11.449 478 HA ASN 62 HA ASN 62 16.804 -9.054 -9.054 479 1HB ASN 62 HB2 ASN 62 18.257 -10.270 -10.270 480 2HB ASN 62 HB1 ASN 62 18.271 -11.027 -11.027 481 1HD2 ASN 62 HD21 ASN 62 15.572 -12.254 -12.254 482 2HD2 ASN 62 HD22 ASN 62 15.774 -13.520 -13.520 483 H ALA 63 HN ALA 63 14.741 -11.372 -11.372 484 HA ALA 63 HA ALA 63 14.401 -10.789 -10.789 485 1HB ALA 63 HB2 ALA 63 12.726 -11.863 -11.863 486 2HB ALA 63 HB1 ALA 63 11.873 -10.347 -10.347 487 3HB ALA 63 HB3 ALA 63 12.192 -11.407 -11.407 488 HA PRO 64 HA PRO 64 11.873 -6.470 -6.470 489 1HB PRO 64 HB2 PRO 64 14.429 -5.714 -5.714 490 2HB PRO 64 HB1 PRO 64 12.767 -5.226 -5.226 491 1HG PRO 64 HG2 PRO 64 14.224 -7.343 -7.343 492 2HG PRO 64 HG1 PRO 64 12.492 -7.012 -7.012 493 1HD PRO 64 HD2 PRO 64 13.558 -9.310 -9.310 494 2HD PRO 64 HD1 PRO 64 11.903 -8.736 -8.736 495 H ASP 65 HN ASP 65 11.942 -5.120 -5.120 496 HA ASP 65 HA ASP 65 14.510 -4.604 -4.604 497 1HB ASP 65 HB2 ASP 65 11.898 -5.618 -5.618 498 2HB ASP 65 HB1 ASP 65 13.048 -4.739 -4.739 499 H LYS 66 HN LYS 66 11.033 -3.737 -3.737 500 HA LYS 66 HA LYS 66 11.619 -0.991 -0.991 501 1HB LYS 66 HB2 LYS 66 9.543 -2.445 -2.445 502 2HB LYS 66 HB1 LYS 66 8.977 -1.992 -1.992 503 1HG LYS 66 HG2 LYS 66 8.099 -0.290 -0.290 504 2HG LYS 66 HG1 LYS 66 9.602 0.437 0.437 505 1HD LYS 66 HD2 LYS 66 10.659 -0.002 -0.002 506 2HD LYS 66 HD1 LYS 66 9.350 -1.067 -1.067 507 1HE LYS 66 HE2 LYS 66 8.976 1.882 1.882 508 2HE LYS 66 HE1 LYS 66 9.277 1.233 1.233 509 1HZ LYS 66 HZ1 LYS 66 7.234 -0.261 -0.261 510 2HZ LYS 66 HZ3 LYS 66 6.849 1.382 1.382 511 3HZ LYS 66 HZ2 LYS 66 7.145 0.740 0.740 512 H HIS 67 HN HIS 67 11.321 -2.795 -2.795 513 HA HIS 67 HA HIS 67 10.623 -0.553 -0.553 514 1HB HIS 67 HB2 HIS 67 11.914 -3.110 -3.110 515 2HB HIS 67 HB1 HIS 67 10.702 -2.136 -2.136 516 HD1 HIS 67 HD1 HIS 67 10.255 -5.167 -5.167 517 HD2 HIS 67 HD2 HIS 67 8.864 -2.187 -2.187 518 HE1 HIS 67 HE1 HIS 67 8.314 -6.171 -6.171 519 H HIS 68 HN HIS 68 13.298 -1.345 -1.345 520 HA HIS 68 HA HIS 68 15.611 -0.951 -0.951 521 1HB HIS 68 HB2 HIS 68 14.403 1.491 1.491 522 2HB HIS 68 HB1 HIS 68 16.064 1.372 1.372 523 HD1 HIS 68 HD1 HIS 68 16.309 0.872 0.872 524 HD2 HIS 68 HD2 HIS 68 12.575 2.217 2.217 525 HE1 HIS 68 HE1 HIS 68 15.093 1.680 1.680 526 H ILE 69 HN ILE 69 14.208 -2.330 -2.330 527 HA ILE 69 HA ILE 69 16.550 -2.111 -2.111 528 HB ILE 69 HB ILE 69 14.377 -0.418 -0.418 529 1HG1 ILE 69 HG12 ILE 69 16.723 -0.063 -0.063 530 2HG1 ILE 69 HG11 ILE 69 15.652 0.136 0.136 531 1HG2 ILE 69 HG21 ILE 69 13.132 -2.362 -2.362 532 2HG2 ILE 69 HG23 ILE 69 14.454 -2.651 -2.651 533 3HG2 ILE 69 HG22 ILE 69 13.515 -1.169 -1.169 534 1HD1 ILE 69 HD12 ILE 69 16.162 -2.414 -2.414 535 2HD1 ILE 69 HD11 ILE 69 17.579 -2.082 -2.082 536 3HD1 ILE 69 HD13 ILE 69 17.318 -1.207 -1.207 537 H THR 70 HN THR 70 16.649 -3.644 -3.644 538 HA THR 70 HA THR 70 14.869 -5.985 -5.985 539 HB THR 70 HB THR 70 16.975 -6.806 -6.806 540 HG1 THR 70 HG1 THR 70 17.585 -7.986 -7.986 541 1HG2 THR 70 HG22 THR 70 17.956 -4.677 -4.677 542 2HG2 THR 70 HG21 THR 70 19.033 -5.904 -5.904 543 3HG2 THR 70 HG23 THR 70 18.207 -4.784 -4.784 544 HA PRO 71 HA PRO 71 13.277 -5.409 -5.409 545 1HB PRO 71 HB2 PRO 71 13.460 -8.217 -8.217 546 2HB PRO 71 HB1 PRO 71 12.038 -7.254 -7.254 547 1HG PRO 71 HG2 PRO 71 13.078 -9.255 -9.255 548 2HG PRO 71 HG1 PRO 71 12.103 -7.900 -7.900 549 1HD PRO 71 HD2 PRO 71 15.050 -8.301 -8.301 550 2HD PRO 71 HD1 PRO 71 13.958 -7.458 -7.458 551 H LEU 72 HN LEU 72 16.545 -6.769 -6.769 552 HA LEU 72 HA LEU 72 16.791 -7.101 -7.101 553 1HB LEU 72 HB2 LEU 72 19.156 -5.859 -5.859 554 2HB LEU 72 HB1 LEU 72 19.052 -7.275 -7.275 555 HG LEU 72 HG LEU 72 19.656 -8.255 -8.255 556 1HD1 LEU 72 HD12 LEU 72 17.018 -8.716 -8.716 557 2HD1 LEU 72 HD11 LEU 72 16.910 -8.342 -8.342 558 3HD1 LEU 72 HD13 LEU 72 17.943 -9.636 -9.636 559 1HD2 LEU 72 HD21 LEU 72 17.997 -6.161 -6.161 560 2HD2 LEU 72 HD23 LEU 72 19.754 -6.197 -6.197 561 3HD2 LEU 72 HD22 LEU 72 18.933 -7.432 -7.432 562 H LEU 73 HN LEU 73 17.018 -4.246 -4.246 563 HA LEU 73 HA LEU 73 17.700 -2.523 -2.523 564 1HB LEU 73 HB2 LEU 73 16.530 -1.753 -1.753 565 2HB LEU 73 HB1 LEU 73 17.345 -0.688 -0.688 566 HG LEU 73 HG LEU 73 19.292 -2.467 -2.467 567 1HD1 LEU 73 HD12 LEU 73 17.457 -3.370 -3.370 568 2HD1 LEU 73 HD11 LEU 73 18.980 -2.882 -2.882 569 3HD1 LEU 73 HD13 LEU 73 18.963 -4.088 -4.088 570 1HD2 LEU 73 HD21 LEU 73 18.601 -0.130 -0.130 571 2HD2 LEU 73 HD23 LEU 73 19.984 -0.394 -0.394 572 3HD2 LEU 73 HD22 LEU 73 19.937 -1.132 -1.132 573 H SER 74 HN SER 74 14.737 -3.776 -3.776 574 HA SER 74 HA SER 74 12.934 -1.845 -1.845 575 1HB SER 74 HB2 SER 74 12.115 -3.728 -3.728 576 2HB SER 74 HB1 SER 74 12.650 -4.868 -4.868 577 HG SER 74 HG SER 74 10.868 -4.501 -4.501 578 H ALA 75 HN ALA 75 14.685 -4.486 -4.486 579 HA ALA 75 HA ALA 75 13.535 -4.017 -4.017 580 1HB ALA 75 HB2 ALA 75 15.924 -5.673 -5.673 581 2HB ALA 75 HB1 ALA 75 15.215 -5.668 -5.668 582 3HB ALA 75 HB3 ALA 75 14.278 -6.256 -6.256 583 H VAL 76 HN VAL 76 16.709 -3.154 -3.154 584 HA VAL 76 HA VAL 76 17.975 -2.250 -2.250 585 HB VAL 76 HB VAL 76 19.316 -0.722 -0.722 586 1HG1 VAL 76 HG13 VAL 76 18.601 -3.296 -3.296 587 2HG1 VAL 76 HG12 VAL 76 19.867 -2.237 -2.237 588 3HG1 VAL 76 HG11 VAL 76 20.011 -2.919 -2.919 589 1HG2 VAL 76 HG22 VAL 76 17.004 -0.797 -0.797 590 2HG2 VAL 76 HG21 VAL 76 17.995 0.555 0.555 591 3HG2 VAL 76 HG23 VAL 76 18.602 -0.584 -0.584 592 H TYR 77 HN TYR 77 15.721 -0.312 -0.312 593 HA TYR 77 HA TYR 77 15.719 1.851 1.851 594 1HB TYR 77 HB2 TYR 77 13.470 1.481 1.481 595 2HB TYR 77 HB1 TYR 77 14.243 2.967 2.967 596 HD1 TYR 77 HD2 TYR 77 16.877 3.069 3.069 597 HD2 TYR 77 HD1 TYR 77 13.917 0.781 0.781 598 HE1 TYR 77 HE2 TYR 77 18.318 3.057 3.057 599 HE2 TYR 77 HE1 TYR 77 15.355 0.778 0.778 600 HH TYR 77 HH TYR 77 17.203 1.597 1.597 601 H GLU 78 HN GLU 78 15.135 -0.724 -0.724 602 HA GLU 78 HA GLU 78 12.326 -0.191 -0.191 603 1HB GLU 78 HB2 GLU 78 12.699 -2.189 -2.189 604 2HB GLU 78 HB1 GLU 78 13.402 -2.992 -2.992 605 1HG GLU 78 HG2 GLU 78 11.090 -3.578 -3.578 606 2HG GLU 78 HG1 GLU 78 11.288 -2.361 -2.361 607 H GLY 79 HN GLY 79 15.491 -1.574 -1.574 608 1HA GLY 79 HA2 GLY 79 16.464 -1.402 -1.402 609 2HA GLY 79 HA1 GLY 79 14.854 -1.100 -1.100 610 H HIS 80 HN HIS 80 14.312 -3.402 -3.402 611 HA HIS 80 HA HIS 80 14.127 -5.550 -5.550 612 1HB HIS 80 HB2 HIS 80 13.380 -5.139 -5.139 613 2HB HIS 80 HB1 HIS 80 13.641 -6.798 -6.798 614 HD1 HIS 80 HD1 HIS 80 11.386 -7.754 -7.754 615 HD2 HIS 80 HD2 HIS 80 11.713 -3.883 -3.883 616 HE1 HIS 80 HE1 HIS 80 9.218 -7.280 -7.280 617 H VAL 81 HN VAL 81 15.730 -5.236 -5.236 618 HA VAL 81 HA VAL 81 17.518 -6.494 -6.494 619 HB VAL 81 HB VAL 81 19.600 -5.878 -5.878 620 1HG1 VAL 81 HG12 VAL 81 18.785 -4.870 -4.870 621 2HG1 VAL 81 HG11 VAL 81 17.964 -3.658 -3.658 622 3HG1 VAL 81 HG13 VAL 81 19.714 -3.804 -3.804 623 1HG2 VAL 81 HG22 VAL 81 18.171 -5.265 -5.265 624 2HG2 VAL 81 HG21 VAL 81 19.131 -3.908 -3.908 625 3HG2 VAL 81 HG23 VAL 81 17.420 -4.004 -4.004 626 H SER 82 HN SER 82 15.898 -7.910 -7.910 627 HA SER 82 HA SER 82 17.926 -9.781 -9.781 628 1HB SER 82 HB2 SER 82 14.965 -9.439 -9.439 629 2HB SER 82 HB1 SER 82 15.569 -11.090 -11.090 630 HG SER 82 HG SER 82 15.451 -9.509 -9.509 631 H CYS 83 HN CYS 83 16.088 -9.085 -9.085 632 HA CYS 83 HA CYS 83 16.143 -11.765 -11.765 633 1HB CYS 83 HB2 CYS 83 15.361 -10.251 -10.251 634 2HB CYS 83 HB1 CYS 83 14.253 -10.594 -10.594 635 HG CYS 83 HG CYS 83 14.561 -8.239 -8.239 636 H VAL 84 HN VAL 84 17.514 -8.539 -8.539 637 HA VAL 84 HA VAL 84 19.144 -9.144 -9.144 638 HB VAL 84 HB VAL 84 20.847 -7.570 -7.570 639 1HG1 VAL 84 HG11 VAL 84 18.659 -6.815 -6.815 640 2HG1 VAL 84 HG13 VAL 84 18.063 -6.587 -6.587 641 3HG1 VAL 84 HG12 VAL 84 19.431 -5.638 -5.638 642 1HG2 VAL 84 HG21 VAL 84 19.227 -7.895 -7.895 643 2HG2 VAL 84 HG23 VAL 84 20.949 -8.154 -8.154 644 3HG2 VAL 84 HG22 VAL 84 20.293 -6.525 -6.525 645 H LYS 85 HN LYS 85 19.723 -10.070 -10.070 646 HA LYS 85 HA LYS 85 22.321 -11.184 -11.184 647 1HB LYS 85 HB2 LYS 85 20.452 -10.905 -10.905 648 2HB LYS 85 HB1 LYS 85 21.042 -12.558 -12.558 649 1HG LYS 85 HG2 LYS 85 23.200 -11.942 -11.942 650 2HG LYS 85 HG1 LYS 85 23.107 -10.433 -10.433 651 1HD LYS 85 HD2 LYS 85 21.458 -10.749 -10.749 652 2HD LYS 85 HD1 LYS 85 23.174 -10.369 -10.369 653 1HE LYS 85 HE2 LYS 85 22.938 -8.302 -8.302 654 2HE LYS 85 HE1 LYS 85 21.455 -8.780 -8.780 655 1HZ LYS 85 HZ3 LYS 85 20.447 -8.905 -8.905 656 2HZ LYS 85 HZ2 LYS 85 21.820 -8.069 -8.069 657 3HZ LYS 85 HZ1 LYS 85 20.786 -7.352 -7.352 658 H LEU 86 HN LEU 86 19.250 -12.955 -12.955 659 HA LEU 86 HA LEU 86 20.284 -15.419 -15.419 660 1HB LEU 86 HB2 LEU 86 18.467 -16.047 -16.047 661 2HB LEU 86 HB1 LEU 86 17.874 -14.398 -14.398 662 HG LEU 86 HG LEU 86 16.222 -15.862 -15.862 663 1HD1 LEU 86 HD11 LEU 86 17.113 -13.499 -13.499 664 2HD1 LEU 86 HD13 LEU 86 16.853 -14.603 -14.603 665 3HD1 LEU 86 HD12 LEU 86 15.545 -14.265 -14.265 666 1HD2 LEU 86 HD22 LEU 86 18.505 -17.000 -17.000 667 2HD2 LEU 86 HD21 LEU 86 16.906 -17.674 -17.674 668 3HD2 LEU 86 HD23 LEU 86 17.201 -16.619 -16.619 669 H LEU 87 HN LEU 87 19.496 -12.555 -12.555 670 HA LEU 87 HA LEU 87 18.241 -13.604 -13.604 671 1HB LEU 87 HB2 LEU 87 18.960 -11.070 -11.070 672 2HB LEU 87 HB1 LEU 87 19.637 -11.158 -11.158 673 HG LEU 87 HG LEU 87 16.766 -11.899 -11.899 674 1HD1 LEU 87 HD12 LEU 87 17.931 -9.188 -9.188 675 2HD1 LEU 87 HD11 LEU 87 16.219 -9.587 -9.587 676 3HD1 LEU 87 HD13 LEU 87 17.001 -9.609 -9.609 677 1HD2 LEU 87 HD21 LEU 87 18.416 -11.314 -11.314 678 2HD2 LEU 87 HD23 LEU 87 17.359 -12.683 -12.683 679 3HD2 LEU 87 HD22 LEU 87 16.670 -11.103 -11.103 680 H LEU 88 HN LEU 88 21.485 -12.031 -12.031 681 HA LEU 88 HA LEU 88 22.276 -13.149 -13.149 682 1HB LEU 88 HB2 LEU 88 24.525 -12.568 -12.568 683 2HB LEU 88 HB1 LEU 88 23.534 -11.327 -11.327 684 HG LEU 88 HG LEU 88 25.219 -11.844 -11.844 685 1HD1 LEU 88 HD12 LEU 88 22.839 -11.760 -11.760 686 2HD1 LEU 88 HD11 LEU 88 22.861 -13.518 -13.518 687 3HD1 LEU 88 HD13 LEU 88 23.960 -12.605 -12.605 688 1HD2 LEU 88 HD22 LEU 88 25.422 -14.292 -14.292 689 2HD2 LEU 88 HD21 LEU 88 26.197 -13.881 -13.881 690 3HD2 LEU 88 HD23 LEU 88 24.657 -14.735 -14.735 691 H SER 89 HN SER 89 21.674 -14.748 -14.748 692 HA SER 89 HA SER 89 23.538 -16.873 -16.873 693 1HB SER 89 HB2 SER 89 22.025 -18.018 -18.018 694 2HB SER 89 HB1 SER 89 21.434 -16.371 -16.371 695 HG SER 89 HG SER 89 20.443 -18.454 -18.454 696 H LYS 90 HN LYS 90 21.206 -15.876 -15.876 697 HA LYS 90 HA LYS 90 21.311 -18.450 -18.450 698 1HB LYS 90 HB2 LYS 90 19.410 -16.096 -16.096 699 2HB LYS 90 HB1 LYS 90 19.365 -17.489 -17.489 700 1HG LYS 90 HG2 LYS 90 18.732 -18.956 -18.956 701 2HG LYS 90 HG1 LYS 90 19.248 -17.854 -17.854 702 1HD LYS 90 HD2 LYS 90 16.968 -17.284 -17.284 703 2HD LYS 90 HD1 LYS 90 16.745 -17.983 -17.983 704 1HE LYS 90 HE2 LYS 90 16.513 -15.780 -15.780 705 2HE LYS 90 HE1 LYS 90 18.270 -15.832 -15.832 706 1HZ LYS 90 HZ3 LYS 90 17.269 -15.398 -15.398 707 2HZ LYS 90 HZ2 LYS 90 16.719 -14.205 -14.205 708 3HZ LYS 90 HZ1 LYS 90 18.385 -14.484 -14.484 709 H GLY 91 HN GLY 91 21.897 -15.000 -15.000 710 1HA GLY 91 HA2 GLY 91 24.049 -14.813 -14.813 711 2HA GLY 91 HA1 GLY 91 22.764 -15.067 -15.067 712 H ALA 92 HN ALA 92 21.247 -13.426 -13.426 713 HA ALA 92 HA ALA 92 20.677 -11.151 -11.151 714 1HB ALA 92 HB2 ALA 92 20.313 -12.021 -12.021 715 2HB ALA 92 HB1 ALA 92 20.620 -10.292 -10.292 716 3HB ALA 92 HB3 ALA 92 19.285 -10.985 -10.985 717 H ASP 93 HN ASP 93 23.747 -11.831 -11.831 718 HA ASP 93 HA ASP 93 25.626 -10.522 -10.522 719 1HB ASP 93 HB2 ASP 93 24.873 -10.181 -10.181 720 2HB ASP 93 HB1 ASP 93 24.610 -8.530 -8.530 721 H LYS 94 HN LYS 94 24.529 -7.416 -7.416 722 HA LYS 94 HA LYS 94 23.201 -6.817 -6.817 723 1HB LYS 94 HB2 LYS 94 24.872 -5.366 -5.366 724 2HB LYS 94 HB1 LYS 94 25.599 -6.947 -6.947 725 1HG LYS 94 HG2 LYS 94 25.864 -4.730 -4.730 726 2HG LYS 94 HG1 LYS 94 26.975 -4.892 -4.892 727 1HD LYS 94 HD2 LYS 94 28.136 -6.456 -6.456 728 2HD LYS 94 HD1 LYS 94 26.713 -7.489 -7.489 729 1HE LYS 94 HE2 LYS 94 26.036 -6.716 -6.716 730 2HE LYS 94 HE1 LYS 94 26.976 -5.232 -5.232 731 1HZ LYS 94 HZ3 LYS 94 28.434 -7.755 -7.755 732 2HZ LYS 94 HZ2 LYS 94 27.797 -7.275 -7.275 733 3HZ LYS 94 HZ1 LYS 94 28.884 -6.264 -6.264 734 H THR 95 HN THR 95 24.717 -5.760 -5.760 735 HA THR 95 HA THR 95 22.739 -3.520 -3.520 736 HB THR 95 HB THR 95 25.435 -3.479 -3.479 737 HG1 THR 95 HG1 THR 95 26.332 -2.605 -2.605 738 1HG2 THR 95 HG21 THR 95 23.428 -1.966 -1.966 739 2HG2 THR 95 HG23 THR 95 23.753 -1.170 -1.170 740 3HG2 THR 95 HG22 THR 95 24.986 -1.190 -1.190 741 H VAL 96 HN VAL 96 21.988 -5.947 -5.947 742 HA VAL 96 HA VAL 96 22.816 -6.641 -6.641 743 HB VAL 96 HB VAL 96 20.302 -7.365 -7.365 744 1HG1 VAL 96 HG13 VAL 96 21.518 -8.391 -8.391 745 2HG1 VAL 96 HG12 VAL 96 20.450 -9.396 -9.396 746 3HG1 VAL 96 HG11 VAL 96 19.857 -7.882 -7.882 747 1HG2 VAL 96 HG21 VAL 96 22.959 -8.791 -8.791 748 2HG2 VAL 96 HG23 VAL 96 22.375 -8.025 -8.025 749 3HG2 VAL 96 HG22 VAL 96 21.551 -9.446 -9.446 750 H LYS 97 HN LYS 97 20.804 -4.076 -4.076 751 HA LYS 97 HA LYS 97 20.163 -3.432 -3.432 752 1HB LYS 97 HB2 LYS 97 18.455 -5.242 -5.242 753 2HB LYS 97 HB1 LYS 97 17.667 -3.798 -3.798 754 1HG LYS 97 HG2 LYS 97 16.672 -3.964 -3.964 755 2HG LYS 97 HG1 LYS 97 18.029 -2.897 -2.897 756 1HD LYS 97 HD2 LYS 97 19.355 -4.999 -4.999 757 2HD LYS 97 HD1 LYS 97 17.824 -5.871 -5.871 758 1HE LYS 97 HE2 LYS 97 18.098 -5.257 -5.257 759 2HE LYS 97 HE1 LYS 97 16.913 -4.128 -4.128 760 1HZ LYS 97 HZ1 LYS 97 19.602 -3.221 -3.221 761 2HZ LYS 97 HZ3 LYS 97 19.222 -3.465 -3.465 762 3HZ LYS 97 HZ2 LYS 97 18.271 -2.422 -2.422 763 H GLY 98 HN GLY 98 20.684 -2.437 -2.437 764 1HA GLY 98 HA2 GLY 98 18.922 -0.128 -0.128 765 2HA GLY 98 HA1 GLY 98 20.311 -0.397 -0.397 766 HA PRO 99 HA PRO 99 20.960 3.214 3.214 767 1HB PRO 99 HB2 PRO 99 22.284 4.167 4.167 768 2HB PRO 99 HB1 PRO 99 21.205 5.043 5.043 769 1HG PRO 99 HG2 PRO 99 20.440 4.055 4.055 770 2HG PRO 99 HG1 PRO 99 19.315 4.390 4.390 771 1HD PRO 99 HD2 PRO 99 20.141 1.786 1.786 772 2HD PRO 99 HD1 PRO 99 18.819 2.153 2.153 773 H ASP 100 HN ASP 100 23.357 2.759 2.759 774 HA ASP 100 HA ASP 100 25.133 1.266 1.266 775 1HB ASP 100 HB2 ASP 100 25.378 3.808 3.808 776 2HB ASP 100 HB1 ASP 100 26.141 3.895 3.895 777 H GLY 101 HN GLY 101 27.173 2.721 2.721 778 1HA GLY 101 HA2 GLY 101 27.447 0.528 0.528 779 2HA GLY 101 HA1 GLY 101 28.105 2.128 2.128 780 H LEU 102 HN LEU 102 24.840 2.607 2.607 781 HA LEU 102 HA LEU 102 24.383 3.317 3.317 782 1HB LEU 102 HB2 LEU 102 22.831 3.890 3.890 783 2HB LEU 102 HB1 LEU 102 22.181 2.254 2.254 784 HG LEU 102 HG LEU 102 22.345 4.115 4.115 785 1HD1 LEU 102 HD12 LEU 102 20.915 5.086 5.086 786 2HD1 LEU 102 HD11 LEU 102 19.889 3.653 3.653 787 3HD1 LEU 102 HD13 LEU 102 20.060 4.750 4.750 788 1HD2 LEU 102 HD23 LEU 102 21.228 1.424 1.424 789 2HD2 LEU 102 HD22 LEU 102 21.918 2.111 2.111 790 3HD2 LEU 102 HD21 LEU 102 20.270 2.499 2.499 791 H THR 103 HN THR 103 22.848 0.472 0.472 792 HA THR 103 HA THR 103 21.906 -1.288 -1.288 793 HB THR 103 HB THR 103 23.738 -2.466 -2.466 794 HG1 THR 103 HG1 THR 103 24.897 -2.887 -2.887 795 1HG2 THR 103 HG22 THR 103 25.467 -0.620 -0.620 796 2HG2 THR 103 HG21 THR 103 26.081 -1.949 -1.949 797 3HG2 THR 103 HG23 THR 103 25.278 -0.586 -0.586 798 H ALA 104 HN ALA 104 24.554 -1.400 -1.400 799 HA ALA 104 HA ALA 104 22.812 -0.585 -0.585 800 1HB ALA 104 HB2 ALA 104 25.434 -2.040 -2.040 801 2HB ALA 104 HB1 ALA 104 24.801 -1.484 -1.484 802 3HB ALA 104 HB3 ALA 104 23.889 -2.646 -2.646 803 H LEU 105 HN LEU 105 25.676 0.516 0.516 804 HA LEU 105 HA LEU 105 26.829 2.211 2.211 805 1HB LEU 105 HB2 LEU 105 26.651 2.850 2.850 806 2HB LEU 105 HB1 LEU 105 27.915 3.303 3.303 807 HG LEU 105 HG LEU 105 27.268 0.512 0.512 808 1HD1 LEU 105 HD11 LEU 105 28.571 2.141 2.141 809 2HD1 LEU 105 HD13 LEU 105 29.833 2.100 2.100 810 3HD1 LEU 105 HD12 LEU 105 29.386 0.624 0.624 811 1HD2 LEU 105 HD22 LEU 105 29.071 1.538 1.538 812 2HD2 LEU 105 HD21 LEU 105 27.929 0.195 0.195 813 3HD2 LEU 105 HD23 LEU 105 29.439 0.036 0.036 814 H GLU 106 HN GLU 106 25.059 3.636 3.636 815 HA GLU 106 HA GLU 106 24.538 6.000 6.000 816 1HB GLU 106 HB2 GLU 106 24.820 6.690 6.690 817 2HB GLU 106 HB1 GLU 106 24.239 5.193 5.193 818 1HG GLU 106 HG2 GLU 106 22.695 6.889 6.889 819 2HG GLU 106 HG1 GLU 106 21.886 5.966 5.966 820 H ALA 107 HN ALA 107 23.198 3.147 3.147 821 HA ALA 107 HA ALA 107 20.371 3.848 3.848 822 1HB ALA 107 HB2 ALA 107 21.958 1.463 1.463 823 2HB ALA 107 HB1 ALA 107 20.434 1.635 1.635 824 3HB ALA 107 HB3 ALA 107 20.448 1.575 1.575 825 H THR 108 HN THR 108 22.745 3.414 3.414 826 HA THR 108 HA THR 108 21.215 5.338 5.338 827 HB THR 108 HB THR 108 20.014 3.219 3.219 828 HG1 THR 108 HG1 THR 108 20.378 3.188 3.188 829 1HG2 THR 108 HG23 THR 108 22.068 1.811 1.811 830 2HG2 THR 108 HG22 THR 108 22.626 2.214 2.214 831 3HG2 THR 108 HG21 THR 108 21.132 1.313 1.313 832 H ASP 109 HN ASP 109 22.258 4.260 4.260 833 HA ASP 109 HA ASP 109 25.179 4.422 4.422 834 1HB ASP 109 HB2 ASP 109 24.550 6.760 6.760 835 2HB ASP 109 HB1 ASP 109 23.558 6.326 6.326 836 H ASN 110 HN ASN 110 22.475 2.962 2.962 837 HA ASN 110 HA ASN 110 23.577 2.361 2.361 838 1HB ASN 110 HB2 ASN 110 21.705 0.938 0.938 839 2HB ASN 110 HB1 ASN 110 21.071 2.249 2.249 840 1HD2 ASN 110 HD21 ASN 110 22.727 0.952 0.952 841 2HD2 ASN 110 HD22 ASN 110 21.710 -0.290 -0.290 842 H GLN 111 HN GLN 111 24.753 0.456 0.456 843 HA GLN 111 HA GLN 111 26.338 -0.533 -0.533 844 1HB GLN 111 HB2 GLN 111 27.408 -0.169 -0.169 845 2HB GLN 111 HB1 GLN 111 26.248 -1.166 -1.166 846 1HG GLN 111 HG2 GLN 111 27.161 -3.167 -3.167 847 2HG GLN 111 HG1 GLN 111 27.909 -2.372 -2.372 848 1HE2 GLN 111 HE21 GLN 111 30.037 -1.581 -1.581 849 2HE2 GLN 111 HE22 GLN 111 30.897 -1.637 -1.637 850 H ALA 112 HN ALA 112 23.276 -1.515 -1.515 851 HA ALA 112 HA ALA 112 23.774 -4.405 -4.405 852 1HB ALA 112 HB3 ALA 112 21.242 -2.760 -2.760 853 2HB ALA 112 HB2 ALA 112 21.256 -4.516 -4.516 854 3HB ALA 112 HB1 ALA 112 21.826 -3.774 -3.774 855 H ILE 113 HN ILE 113 22.398 -1.873 -1.873 856 HA ILE 113 HA ILE 113 22.012 -3.397 -3.397 857 HB ILE 113 HB ILE 113 22.357 -0.488 -0.488 858 1HG1 ILE 113 HG12 ILE 113 20.107 -0.368 -0.368 859 2HG1 ILE 113 HG11 ILE 113 20.118 -2.125 -2.125 860 1HG2 ILE 113 HG21 ILE 113 22.519 -1.716 -1.716 861 2HG2 ILE 113 HG23 ILE 113 21.770 -0.134 -0.134 862 3HG2 ILE 113 HG22 ILE 113 23.442 -0.373 -0.373 863 1HD1 ILE 113 HD13 ILE 113 20.606 -1.859 -1.859 864 2HD1 ILE 113 HD12 ILE 113 19.899 -0.269 -0.269 865 3HD1 ILE 113 HD11 ILE 113 18.965 -1.707 -1.707 866 H LYS 114 HN LYS 114 24.505 -1.216 -1.216 867 HA LYS 114 HA LYS 114 26.250 -1.450 -1.450 868 1HB LYS 114 HB2 LYS 114 27.031 -1.117 -1.117 869 2HB LYS 114 HB1 LYS 114 27.936 -0.565 -0.565 870 1HG LYS 114 HG2 LYS 114 25.139 0.393 0.393 871 2HG LYS 114 HG1 LYS 114 26.595 1.263 1.263 872 1HD LYS 114 HD2 LYS 114 27.214 1.171 1.171 873 2HD LYS 114 HD1 LYS 114 25.544 0.678 0.678 874 1HE LYS 114 HE2 LYS 114 25.571 3.049 3.049 875 2HE LYS 114 HE1 LYS 114 24.852 2.730 2.730 876 1HZ LYS 114 HZ1 LYS 114 27.727 3.318 3.318 877 2HZ LYS 114 HZ3 LYS 114 26.577 4.486 4.486 878 3HZ LYS 114 HZ2 LYS 114 26.914 3.197 3.197 879 H ALA 115 HN ALA 115 25.280 -3.767 -3.767 880 HA ALA 115 HA ALA 115 27.639 -5.396 -5.396 881 1HB ALA 115 HB3 ALA 115 25.474 -5.600 -5.600 882 2HB ALA 115 HB2 ALA 115 24.834 -6.519 -6.519 883 3HB ALA 115 HB1 ALA 115 26.270 -7.087 -7.087 884 H LEU 116 HN LEU 116 25.056 -4.932 -4.932 885 HA LEU 116 HA LEU 116 25.782 -7.313 -7.313 886 1HB LEU 116 HB2 LEU 116 23.892 -5.085 -5.085 887 2HB LEU 116 HB1 LEU 116 24.616 -5.587 -5.587 888 HG LEU 116 HG LEU 116 23.153 -7.382 -7.382 889 1HD1 LEU 116 HD12 LEU 116 22.480 -6.335 -6.335 890 2HD1 LEU 116 HD11 LEU 116 21.576 -7.616 -7.616 891 3HD1 LEU 116 HD13 LEU 116 21.617 -5.994 -5.994 892 1HD2 LEU 116 HD22 LEU 116 24.947 -7.953 -7.953 893 2HD2 LEU 116 HD21 LEU 116 24.516 -8.979 -8.979 894 3HD2 LEU 116 HD23 LEU 116 23.423 -8.832 -8.832 895 H LEU 117 HN LEU 117 27.013 -4.035 -4.035 896 HA LEU 117 HA LEU 117 28.527 -4.375 -4.375 897 1HB LEU 117 HB2 LEU 117 29.111 -2.171 -2.171 898 2HB LEU 117 HB1 LEU 117 27.737 -2.164 -2.164 899 HG LEU 117 HG LEU 117 29.585 -2.877 -2.877 900 1HD1 LEU 117 HD13 LEU 117 31.237 -2.512 -2.512 901 2HD1 LEU 117 HD12 LEU 117 31.382 -0.986 -0.986 902 3HD1 LEU 117 HD11 LEU 117 31.760 -2.496 -2.496 903 1HD2 LEU 117 HD21 LEU 117 28.124 -0.755 -0.755 904 2HD2 LEU 117 HD23 LEU 117 29.642 -0.614 -0.614 905 3HD2 LEU 117 HD22 LEU 117 29.509 0.006 0.006 906 H GLN 118 HN GLN 118 28.565 -5.832 -5.832 907 HA GLN 118 HA GLN 118 31.359 -5.857 -5.857 908 1HB GLN 118 HB2 GLN 118 29.381 -6.373 -6.373 909 2HB GLN 118 HB1 GLN 118 29.290 -7.921 -7.921 910 1HG GLN 118 HG2 GLN 118 31.646 -8.330 -8.330 911 2HG GLN 118 HG1 GLN 118 31.653 -6.852 -6.852 912 1HE2 GLN 118 HE21 GLN 118 29.514 -9.754 -9.754 913 2HE2 GLN 118 HE22 GLN 118 29.302 -9.972 -9.972 Start of MODEL 22 1 1H MET 1 HT3 MET 1 -11.202 -12.551 -12.551 2 2H MET 1 HT2 MET 1 -11.208 -14.237 -14.237 3 3H MET 1 HT1 MET 1 -9.788 -13.443 -13.443 4 HA MET 1 HA MET 1 -10.667 -14.443 -14.443 5 1HB MET 1 HB2 MET 1 -13.264 -13.162 -13.162 6 2HB MET 1 HB1 MET 1 -13.035 -13.902 -13.902 7 1HG MET 1 HG2 MET 1 -12.661 -16.061 -16.061 8 2HG MET 1 HG1 MET 1 -12.491 -15.391 -15.391 9 1HE MET 1 HE1 MET 1 -14.036 -17.716 -17.716 10 2HE MET 1 HE3 MET 1 -15.796 -17.640 -17.640 11 3HE MET 1 HE2 MET 1 -14.767 -17.574 -17.574 12 H CYS 2 HN CYS 2 -10.259 -11.422 -11.422 13 HA CYS 2 HA CYS 2 -10.334 -10.126 -10.126 14 1HB CYS 2 HB2 CYS 2 -10.492 -8.675 -8.675 15 2HB CYS 2 HB1 CYS 2 -10.852 -8.043 -8.043 16 HG CYS 2 HG CYS 2 -13.099 -8.734 -8.734 17 H ASP 3 HN ASP 3 -8.678 -8.346 -8.346 18 HA ASP 3 HA ASP 3 -6.054 -9.285 -9.285 19 1HB ASP 3 HB2 ASP 3 -6.806 -6.356 -6.356 20 2HB ASP 3 HB1 ASP 3 -5.306 -7.092 -7.092 21 H LYS 4 HN LYS 4 -8.155 -7.666 -7.666 22 HA LYS 4 HA LYS 4 -6.279 -6.561 -6.561 23 1HB LYS 4 HB2 LYS 4 -8.893 -7.889 -7.889 24 2HB LYS 4 HB1 LYS 4 -8.069 -6.573 -6.573 25 1HG LYS 4 HG2 LYS 4 -8.289 -5.310 -5.310 26 2HG LYS 4 HG1 LYS 4 -9.540 -6.502 -6.502 27 1HD LYS 4 HD2 LYS 4 -9.493 -4.740 -4.740 28 2HD LYS 4 HD1 LYS 4 -10.439 -4.399 -4.399 29 1HE LYS 4 HE2 LYS 4 -11.990 -5.520 -5.520 30 2HE LYS 4 HE1 LYS 4 -11.369 -6.822 -6.822 31 1HZ LYS 4 HZ2 LYS 4 -9.636 -6.619 -6.619 32 2HZ LYS 4 HZ1 LYS 4 -11.192 -6.509 -6.509 33 3HZ LYS 4 HZ3 LYS 4 -10.775 -7.848 -7.848 34 H GLU 5 HN GLU 5 -8.006 -9.644 -9.644 35 HA GLU 5 HA GLU 5 -6.383 -10.651 -10.651 36 1HB GLU 5 HB2 GLU 5 -8.475 -11.692 -11.692 37 2HB GLU 5 HB1 GLU 5 -7.329 -12.445 -12.445 38 1HG GLU 5 HG2 GLU 5 -6.166 -13.509 -13.509 39 2HG GLU 5 HG1 GLU 5 -7.219 -12.687 -12.687 40 H PHE 6 HN PHE 6 -5.470 -10.069 -10.069 41 HA PHE 6 HA PHE 6 -3.349 -12.038 -12.038 42 1HB PHE 6 HB2 PHE 6 -4.569 -10.674 -10.674 43 2HB PHE 6 HB1 PHE 6 -3.335 -9.465 -9.465 44 HD1 PHE 6 HD2 PHE 6 -1.281 -11.875 -11.875 45 HD2 PHE 6 HD1 PHE 6 -3.661 -10.883 -10.883 46 HE1 PHE 6 HE2 PHE 6 0.289 -13.115 -13.115 47 HE2 PHE 6 HE1 PHE 6 -2.075 -12.125 -12.125 48 HZ PHE 6 HZ PHE 6 -0.102 -13.242 -13.242 49 H MET 7 HN MET 7 -2.806 -8.492 -8.492 50 HA MET 7 HA MET 7 -0.172 -8.728 -8.728 51 1HB MET 7 HB2 MET 7 -0.030 -6.403 -6.403 52 2HB MET 7 HB1 MET 7 -1.246 -6.757 -6.757 53 1HG MET 7 HG2 MET 7 -1.812 -5.904 -5.904 54 2HG MET 7 HG1 MET 7 -1.953 -4.883 -4.883 55 1HE MET 7 HE1 MET 7 -3.389 -5.014 -5.014 56 2HE MET 7 HE3 MET 7 -3.383 -6.705 -6.705 57 3HE MET 7 HE2 MET 7 -4.903 -5.901 -5.901 58 H TRP 8 HN TRP 8 -3.241 -8.661 -8.661 59 HA TRP 8 HA TRP 8 -2.511 -7.638 -7.638 60 1HB TRP 8 HB2 TRP 8 -4.838 -8.361 -8.361 61 2HB TRP 8 HB1 TRP 8 -4.369 -9.988 -9.988 62 HD1 TRP 8 HD1 TRP 8 -4.803 -10.591 -10.591 63 HE1 TRP 8 HE1 TRP 8 -5.328 -9.281 -9.281 64 HE3 TRP 8 HE3 TRP 8 -4.304 -5.814 -5.814 65 HZ2 TRP 8 HZ2 TRP 8 -5.513 -6.562 -6.562 66 HZ3 TRP 8 HZ3 TRP 8 -4.660 -3.884 -3.884 67 HH2 TRP 8 HH2 TRP 8 -5.263 -4.252 -4.252 68 H ALA 9 HN ALA 9 -1.750 -10.643 -10.643 69 HA ALA 9 HA ALA 9 -0.835 -11.916 -11.916 70 1HB ALA 9 HB2 ALA 9 -1.873 -13.235 -13.235 71 2HB ALA 9 HB1 ALA 9 -0.462 -12.859 -12.859 72 3HB ALA 9 HB3 ALA 9 -0.281 -13.823 -13.823 73 H LEU 10 HN LEU 10 0.690 -10.908 -10.908 74 HA LEU 10 HA LEU 10 3.391 -11.255 -11.255 75 1HB LEU 10 HB2 LEU 10 2.179 -9.086 -9.086 76 2HB LEU 10 HB1 LEU 10 3.893 -9.486 -9.486 77 HG LEU 10 HG LEU 10 2.396 -11.907 -11.907 78 1HD1 LEU 10 HD13 LEU 10 1.662 -9.522 -9.522 79 2HD1 LEU 10 HD12 LEU 10 1.640 -11.151 -11.151 80 3HD1 LEU 10 HD11 LEU 10 0.605 -10.756 -10.756 81 1HD2 LEU 10 HD22 LEU 10 4.782 -11.403 -11.403 82 2HD2 LEU 10 HD21 LEU 10 3.860 -12.042 -12.042 83 3HD2 LEU 10 HD23 LEU 10 4.204 -10.314 -10.314 84 H LYS 11 HN LYS 11 0.979 -9.247 -9.247 85 HA LYS 11 HA LYS 11 2.709 -7.088 -7.088 86 1HB LYS 11 HB2 LYS 11 0.643 -6.333 -6.333 87 2HB LYS 11 HB1 LYS 11 -0.248 -7.655 -7.655 88 1HG LYS 11 HG2 LYS 11 -0.612 -5.491 -5.491 89 2HG LYS 11 HG1 LYS 11 0.103 -6.702 -6.702 90 1HD LYS 11 HD2 LYS 11 2.318 -5.726 -5.726 91 2HD LYS 11 HD1 LYS 11 1.667 -4.576 -4.576 92 1HE LYS 11 HE2 LYS 11 0.409 -3.438 -3.438 93 2HE LYS 11 HE1 LYS 11 0.560 -4.766 -4.766 94 1HZ LYS 11 HZ3 LYS 11 2.934 -3.311 -3.311 95 2HZ LYS 11 HZ2 LYS 11 2.019 -2.726 -2.726 96 3HZ LYS 11 HZ1 LYS 11 2.764 -4.250 -4.250 97 H ASN 12 HN ASN 12 0.153 -8.965 -8.965 98 HA ASN 12 HA ASN 12 1.459 -8.554 -8.554 99 1HB ASN 12 HB2 ASN 12 -1.094 -9.624 -9.624 100 2HB ASN 12 HB1 ASN 12 -0.524 -10.381 -10.381 101 1HD2 ASN 12 HD21 ASN 12 -1.177 -9.306 -9.306 102 2HD2 ASN 12 HD22 ASN 12 -1.530 -7.648 -7.648 103 H GLY 13 HN GLY 13 2.411 -10.584 -10.584 104 1HA GLY 13 HA2 GLY 13 3.855 -12.425 -12.425 105 2HA GLY 13 HA1 GLY 13 3.676 -12.357 -12.357 106 H ASP 14 HN ASP 14 0.719 -12.492 -12.492 107 HA ASP 14 HA ASP 14 0.044 -15.029 -15.029 108 1HB ASP 14 HB2 ASP 14 -1.383 -13.983 -13.983 109 2HB ASP 14 HB1 ASP 14 -2.015 -14.811 -14.811 110 H LEU 15 HN LEU 15 2.336 -15.461 -15.461 111 HA LEU 15 HA LEU 15 2.869 -16.162 -16.162 112 1HB LEU 15 HB2 LEU 15 4.450 -16.269 -16.269 113 2HB LEU 15 HB1 LEU 15 3.596 -17.663 -17.663 114 HG LEU 15 HG LEU 15 5.744 -18.088 -18.088 115 1HD1 LEU 15 HD11 LEU 15 3.375 -19.559 -19.559 116 2HD1 LEU 15 HD13 LEU 15 3.819 -19.747 -19.747 117 3HD1 LEU 15 HD12 LEU 15 4.965 -20.185 -20.185 118 1HD2 LEU 15 HD22 LEU 15 4.957 -16.481 -16.481 119 2HD2 LEU 15 HD21 LEU 15 5.695 -18.003 -18.003 120 3HD2 LEU 15 HD23 LEU 15 3.943 -17.820 -17.820 121 H ASP 16 HN ASP 16 0.673 -17.742 -17.742 122 HA ASP 16 HA ASP 16 0.478 -20.260 -20.260 123 1HB ASP 16 HB2 ASP 16 -1.380 -18.734 -18.734 124 2HB ASP 16 HB1 ASP 16 -1.766 -20.332 -20.332 125 H GLU 17 HN GLU 17 -1.027 -17.120 -17.120 126 HA GLU 17 HA GLU 17 -3.071 -18.064 -18.064 127 1HB GLU 17 HB2 GLU 17 -2.068 -15.369 -15.369 128 2HB GLU 17 HB1 GLU 17 -3.186 -15.502 -15.502 129 1HG GLU 17 HG2 GLU 17 -4.830 -16.616 -16.616 130 2HG GLU 17 HG1 GLU 17 -3.693 -16.726 -16.726 131 H VAL 18 HN VAL 18 0.044 -16.323 -16.323 132 HA VAL 18 HA VAL 18 -0.197 -16.185 -16.185 133 HB VAL 18 HB VAL 18 2.523 -16.366 -16.366 134 1HG1 VAL 18 HG13 VAL 18 1.108 -14.518 -14.518 135 2HG1 VAL 18 HG12 VAL 18 0.991 -13.836 -13.836 136 3HG1 VAL 18 HG11 VAL 18 2.567 -14.021 -14.021 137 1HG2 VAL 18 HG21 VAL 18 1.804 -16.697 -16.697 138 2HG2 VAL 18 HG23 VAL 18 3.099 -15.569 -15.569 139 3HG2 VAL 18 HG22 VAL 18 1.476 -14.962 -14.962 140 H LYS 19 HN LYS 19 1.141 -18.524 -18.524 141 HA LYS 19 HA LYS 19 2.402 -20.314 -20.314 142 1HB LYS 19 HB2 LYS 19 2.309 -20.412 -20.412 143 2HB LYS 19 HB1 LYS 19 0.684 -21.074 -21.074 144 1HG LYS 19 HG2 LYS 19 1.445 -23.087 -23.087 145 2HG LYS 19 HG1 LYS 19 2.952 -22.375 -22.375 146 1HD LYS 19 HD2 LYS 19 2.388 -22.470 -22.470 147 2HD LYS 19 HD1 LYS 19 2.977 -23.917 -23.917 148 1HE LYS 19 HE2 LYS 19 4.450 -21.436 -21.436 149 2HE LYS 19 HE1 LYS 19 4.612 -21.963 -21.963 150 1HZ LYS 19 HZ2 LYS 19 4.985 -23.777 -23.777 151 2HZ LYS 19 HZ1 LYS 19 6.263 -22.925 -22.925 152 3HZ LYS 19 HZ3 LYS 19 5.386 -24.066 -24.066 153 H ASP 20 HN ASP 20 -0.994 -19.746 -19.746 154 HA ASP 20 HA ASP 20 -1.961 -22.144 -22.144 155 1HB ASP 20 HB2 ASP 20 -3.351 -20.749 -20.749 156 2HB ASP 20 HB1 ASP 20 -3.344 -19.466 -19.466 157 H TYR 21 HN TYR 21 -1.687 -18.776 -18.776 158 HA TYR 21 HA TYR 21 -2.614 -19.310 -19.310 159 1HB TYR 21 HB2 TYR 21 -0.436 -17.293 -17.293 160 2HB TYR 21 HB1 TYR 21 -1.859 -17.178 -17.178 161 HD1 TYR 21 HD1 TYR 21 -3.850 -18.250 -18.250 162 HD2 TYR 21 HD2 TYR 21 -0.791 -15.230 -15.230 163 HE1 TYR 21 HE1 TYR 21 -5.063 -17.076 -17.076 164 HE2 TYR 21 HE2 TYR 21 -2.010 -14.058 -14.058 165 HH TYR 21 HH TYR 21 -4.563 -13.980 -13.980 166 H VAL 22 HN VAL 22 0.814 -19.169 -19.169 167 HA VAL 22 HA VAL 22 1.814 -20.046 -20.046 168 HB VAL 22 HB VAL 22 3.245 -18.863 -18.863 169 1HG1 VAL 22 HG13 VAL 22 2.314 -19.863 -19.863 170 2HG1 VAL 22 HG12 VAL 22 3.052 -21.408 -21.408 171 3HG1 VAL 22 HG11 VAL 22 4.070 -20.014 -20.014 172 1HG2 VAL 22 HG22 VAL 22 4.253 -20.373 -20.373 173 2HG2 VAL 22 HG21 VAL 22 5.228 -20.287 -20.287 174 3HG2 VAL 22 HG23 VAL 22 4.208 -21.693 -21.693 175 H ALA 23 HN ALA 23 0.333 -21.771 -21.771 176 HA ALA 23 HA ALA 23 1.543 -24.328 -24.328 177 1HB ALA 23 HB1 ALA 23 -0.111 -23.776 -23.776 178 2HB ALA 23 HB3 ALA 23 -1.384 -23.783 -23.783 179 3HB ALA 23 HB2 ALA 23 -0.496 -25.264 -25.264 180 H LYS 24 HN LYS 24 -0.608 -22.440 -22.440 181 HA LYS 24 HA LYS 24 -1.858 -24.388 -24.388 182 1HB LYS 24 HB2 LYS 24 -0.931 -21.575 -21.575 183 2HB LYS 24 HB1 LYS 24 -1.963 -22.529 -22.529 184 1HG LYS 24 HG2 LYS 24 -2.744 -22.194 -22.194 185 2HG LYS 24 HG1 LYS 24 -3.047 -20.876 -20.876 186 1HD LYS 24 HD2 LYS 24 -4.625 -22.066 -22.066 187 2HD LYS 24 HD1 LYS 24 -3.842 -23.615 -23.615 188 1HE LYS 24 HE2 LYS 24 -4.866 -23.870 -23.870 189 2HE LYS 24 HE1 LYS 24 -5.047 -22.132 -22.132 190 1HZ LYS 24 HZ1 LYS 24 -6.699 -22.161 -22.161 191 2HZ LYS 24 HZ3 LYS 24 -6.606 -23.855 -23.855 192 3HZ LYS 24 HZ2 LYS 24 -7.173 -23.050 -23.050 193 H GLY 25 HN GLY 25 0.584 -22.332 -22.332 194 1HA GLY 25 HA2 GLY 25 2.335 -24.590 -24.590 195 2HA GLY 25 HA1 GLY 25 1.423 -24.026 -24.026 196 H GLU 26 HN GLU 26 3.768 -23.063 -23.063 197 HA GLU 26 HA GLU 26 5.160 -21.139 -21.139 198 1HB GLU 26 HB2 GLU 26 6.692 -21.211 -21.211 199 2HB GLU 26 HB1 GLU 26 6.644 -22.626 -22.626 200 1HG GLU 26 HG2 GLU 26 5.088 -23.744 -23.744 201 2HG GLU 26 HG1 GLU 26 4.984 -22.302 -22.302 202 H ASP 27 HN ASP 27 4.128 -19.212 -19.212 203 HA ASP 27 HA ASP 27 4.009 -17.799 -17.799 204 1HB ASP 27 HB2 ASP 27 1.682 -18.877 -18.877 205 2HB ASP 27 HB1 ASP 27 1.633 -17.484 -17.484 206 H VAL 28 HN VAL 28 5.559 -17.843 -17.843 207 HA VAL 28 HA VAL 28 4.860 -15.568 -15.568 208 HB VAL 28 HB VAL 28 7.301 -15.751 -15.751 209 1HG1 VAL 28 HG13 VAL 28 5.371 -16.955 -16.955 210 2HG1 VAL 28 HG12 VAL 28 5.696 -18.326 -18.326 211 3HG1 VAL 28 HG11 VAL 28 6.898 -17.827 -17.827 212 1HG2 VAL 28 HG22 VAL 28 7.847 -16.815 -16.815 213 2HG2 VAL 28 HG21 VAL 28 8.684 -17.408 -17.408 214 3HG2 VAL 28 HG23 VAL 28 7.326 -18.314 -18.314 215 H ASN 29 HN ASN 29 4.378 -14.140 -14.140 216 HA ASN 29 HA ASN 29 6.373 -12.152 -12.152 217 1HB ASN 29 HB2 ASN 29 6.539 -12.539 -12.539 218 2HB ASN 29 HB1 ASN 29 7.590 -13.467 -13.467 219 1HD2 ASN 29 HD21 ASN 29 6.824 -15.718 -15.718 220 2HD2 ASN 29 HD22 ASN 29 5.849 -16.543 -16.543 221 H ARG 30 HN ARG 30 3.587 -12.405 -12.405 222 HA ARG 30 HA ARG 30 2.241 -11.115 -11.115 223 1HB ARG 30 HB2 ARG 30 0.804 -11.924 -11.924 224 2HB ARG 30 HB1 ARG 30 0.204 -11.860 -11.860 225 1HG ARG 30 HG2 ARG 30 2.030 -13.729 -13.729 226 2HG ARG 30 HG1 ARG 30 1.871 -13.971 -13.971 227 1HD ARG 30 HD2 ARG 30 -0.098 -14.501 -14.501 228 2HD ARG 30 HD1 ARG 30 0.182 -15.383 -15.383 229 HE ARG 30 HE ARG 30 -0.907 -12.963 -12.963 230 1HH1 ARG 30 HH21 ARG 30 -1.731 -15.484 -15.484 231 2HH1 ARG 30 HH22 ARG 30 -3.440 -15.262 -15.262 232 1HH2 ARG 30 HH11 ARG 30 -3.142 -12.659 -12.659 233 2HH2 ARG 30 HH12 ARG 30 -4.237 -13.662 -13.662 234 H THR 31 HN THR 31 2.368 -8.936 -8.936 235 HA THR 31 HA THR 31 2.997 -7.374 -7.374 236 HB THR 31 HB THR 31 1.460 -6.552 -6.552 237 HG1 THR 31 HG1 THR 31 3.828 -5.731 -5.731 238 1HG2 THR 31 HG23 THR 31 2.756 -5.057 -5.057 239 2HG2 THR 31 HG22 THR 31 2.710 -4.339 -4.339 240 3HG2 THR 31 HG21 THR 31 1.207 -4.758 -4.758 241 H LEU 32 HN LEU 32 1.649 -7.658 -7.658 242 HA LEU 32 HA LEU 32 -1.232 -7.831 -7.831 243 1HB LEU 32 HB2 LEU 32 -1.404 -7.886 -7.886 244 2HB LEU 32 HB1 LEU 32 -0.254 -9.066 -9.066 245 HG LEU 32 HG LEU 32 0.634 -8.007 -8.007 246 1HD1 LEU 32 HD13 LEU 32 2.122 -8.463 -8.463 247 2HD1 LEU 32 HD12 LEU 32 2.183 -6.701 -6.701 248 3HD1 LEU 32 HD11 LEU 32 2.773 -7.489 -7.489 249 1HD2 LEU 32 HD22 LEU 32 -0.724 -5.777 -5.777 250 2HD2 LEU 32 HD21 LEU 32 0.634 -5.771 -5.771 251 3HD2 LEU 32 HD23 LEU 32 0.887 -5.317 -5.317 252 H GLU 33 HN GLU 33 1.002 -5.221 -5.221 253 HA GLU 33 HA GLU 33 -1.140 -3.371 -3.371 254 1HB GLU 33 HB2 GLU 33 1.082 -2.982 -2.982 255 2HB GLU 33 HB1 GLU 33 1.761 -2.870 -2.870 256 1HG GLU 33 HG2 GLU 33 0.665 -0.828 -0.828 257 2HG GLU 33 HG1 GLU 33 -0.501 -1.065 -1.065 258 H GLY 34 HN GLY 34 1.220 -2.460 -2.460 259 1HA GLY 34 HA2 GLY 34 -0.738 -2.627 -2.627 260 2HA GLY 34 HA1 GLY 34 -0.343 -0.986 -0.986 261 H GLY 35 HN GLY 35 2.450 -1.915 -1.915 262 1HA GLY 35 HA2 GLY 35 3.567 -2.626 -2.626 263 2HA GLY 35 HA1 GLY 35 3.985 -1.022 -1.022 264 H ARG 36 HN ARG 36 3.517 -3.498 -3.498 265 HA ARG 36 HA ARG 36 6.484 -3.673 -3.673 266 1HB ARG 36 HB2 ARG 36 4.486 -4.070 -4.070 267 2HB ARG 36 HB1 ARG 36 6.179 -3.590 -3.590 268 1HG ARG 36 HG2 ARG 36 5.509 -1.474 -1.474 269 2HG ARG 36 HG1 ARG 36 3.842 -1.934 -1.934 270 1HD ARG 36 HD2 ARG 36 3.954 -1.121 -1.121 271 2HD ARG 36 HD1 ARG 36 5.354 -2.123 -2.123 272 HE ARG 36 HE ARG 36 5.394 0.689 0.689 273 1HH1 ARG 36 HH21 ARG 36 6.991 -2.108 -2.108 274 2HH1 ARG 36 HH22 ARG 36 8.419 -1.240 -1.240 275 1HH2 ARG 36 HH11 ARG 36 7.245 1.820 1.820 276 2HH2 ARG 36 HH12 ARG 36 8.561 0.979 0.979 277 H LYS 37 HN LYS 37 6.468 -5.710 -5.710 278 HA LYS 37 HA LYS 37 5.190 -8.048 -8.048 279 1HB LYS 37 HB2 LYS 37 7.252 -9.267 -9.267 280 2HB LYS 37 HB1 LYS 37 7.635 -7.676 -7.676 281 1HG LYS 37 HG2 LYS 37 8.133 -8.643 -8.643 282 2HG LYS 37 HG1 LYS 37 9.350 -8.333 -8.333 283 1HD LYS 37 HD2 LYS 37 8.393 -5.926 -5.926 284 2HD LYS 37 HD1 LYS 37 7.608 -6.338 -6.338 285 1HE LYS 37 HE2 LYS 37 9.634 -6.594 -6.594 286 2HE LYS 37 HE1 LYS 37 10.555 -6.836 -6.836 287 1HZ LYS 37 HZ3 LYS 37 9.163 -4.294 -4.294 288 2HZ LYS 37 HZ2 LYS 37 10.494 -4.539 -4.539 289 3HZ LYS 37 HZ1 LYS 37 10.690 -4.631 -4.631 290 HA PRO 38 HA PRO 38 4.272 -9.277 -9.277 291 1HB PRO 38 HB2 PRO 38 4.783 -12.072 -12.072 292 2HB PRO 38 HB1 PRO 38 3.243 -11.247 -11.247 293 1HG PRO 38 HG2 PRO 38 4.954 -12.489 -12.489 294 2HG PRO 38 HG1 PRO 38 3.406 -11.674 -11.674 295 1HD PRO 38 HD2 PRO 38 6.087 -10.709 -10.709 296 2HD PRO 38 HD1 PRO 38 4.531 -9.970 -9.970 297 H LEU 39 HN LEU 39 7.166 -8.581 -8.581 298 HA LEU 39 HA LEU 39 8.345 -10.299 -10.299 299 1HB LEU 39 HB2 LEU 39 9.284 -10.534 -10.534 300 2HB LEU 39 HB1 LEU 39 9.917 -8.910 -8.910 301 HG LEU 39 HG LEU 39 11.590 -9.599 -9.599 302 1HD1 LEU 39 HD11 LEU 39 9.805 -11.833 -11.833 303 2HD1 LEU 39 HD13 LEU 39 11.430 -11.488 -11.488 304 3HD1 LEU 39 HD12 LEU 39 10.150 -10.314 -10.314 305 1HD2 LEU 39 HD22 LEU 39 11.575 -11.056 -11.056 306 2HD2 LEU 39 HD21 LEU 39 12.550 -11.637 -11.637 307 3HD2 LEU 39 HD23 LEU 39 10.966 -12.349 -12.349 308 H HIS 40 HN HIS 40 7.728 -7.074 -7.074 309 HA HIS 40 HA HIS 40 9.643 -5.732 -5.732 310 1HB HIS 40 HB2 HIS 40 8.732 -4.641 -4.641 311 2HB HIS 40 HB1 HIS 40 7.120 -4.666 -4.666 312 HD1 HIS 40 HD1 HIS 40 7.031 -3.414 -3.414 313 HD2 HIS 40 HD2 HIS 40 10.120 -2.331 -2.331 314 HE1 HIS 40 HE1 HIS 40 7.927 -1.201 -1.201 315 H TYR 41 HN TYR 41 6.123 -6.304 -6.304 316 HA TYR 41 HA TYR 41 5.865 -5.027 -5.027 317 1HB TYR 41 HB2 TYR 41 4.059 -7.232 -7.232 318 2HB TYR 41 HB1 TYR 41 3.642 -5.797 -5.797 319 HD1 TYR 41 HD1 TYR 41 4.694 -6.999 -6.999 320 HD2 TYR 41 HD2 TYR 41 3.219 -3.692 -3.692 321 HE1 TYR 41 HE1 TYR 41 4.275 -5.726 -5.726 322 HE2 TYR 41 HE2 TYR 41 2.804 -2.423 -2.423 323 HH TYR 41 HH TYR 41 2.805 -2.484 -2.484 324 H ALA 42 HN ALA 42 6.439 -8.339 -8.339 325 HA ALA 42 HA ALA 42 6.349 -9.536 -9.536 326 1HB ALA 42 HB1 ALA 42 7.168 -10.342 -10.342 327 2HB ALA 42 HB3 ALA 42 8.010 -11.170 -11.170 328 3HB ALA 42 HB2 ALA 42 6.253 -11.244 -11.244 329 H ALA 43 HN ALA 43 9.010 -8.517 -8.517 330 HA ALA 43 HA ALA 43 11.149 -9.043 -9.043 331 1HB ALA 43 HB2 ALA 43 10.780 -6.812 -6.812 332 2HB ALA 43 HB1 ALA 43 12.315 -7.182 -7.182 333 3HB ALA 43 HB3 ALA 43 11.559 -8.371 -8.371 334 H ASP 44 HN ASP 44 9.577 -5.871 -5.871 335 HA ASP 44 HA ASP 44 10.781 -4.560 -4.560 336 1HB ASP 44 HB2 ASP 44 8.271 -4.058 -4.058 337 2HB ASP 44 HB1 ASP 44 8.693 -3.031 -3.031 338 H CYS 45 HN CYS 45 7.908 -6.636 -6.636 339 HA CYS 45 HA CYS 45 7.965 -6.599 -6.599 340 1HB CYS 45 HB2 CYS 45 5.692 -5.355 -5.355 341 2HB CYS 45 HB1 CYS 45 5.479 -5.959 -5.959 342 HG CYS 45 HG CYS 45 7.687 -4.249 -4.249 343 H GLY 46 HN GLY 46 8.452 -8.786 -8.786 344 1HA GLY 46 HA2 GLY 46 5.859 -10.296 -10.296 345 2HA GLY 46 HA1 GLY 46 7.279 -10.719 -10.719 346 H GLN 47 HN GLN 47 7.362 -9.763 -9.763 347 HA GLN 47 HA GLN 47 8.293 -10.939 -10.939 348 1HB GLN 47 HB2 GLN 47 6.544 -12.971 -12.971 349 2HB GLN 47 HB1 GLN 47 7.483 -13.424 -13.424 350 1HG GLN 47 HG2 GLN 47 5.094 -12.603 -12.603 351 2HG GLN 47 HG1 GLN 47 6.361 -11.842 -11.842 352 1HE2 GLN 47 HE21 GLN 47 5.173 -11.281 -11.281 353 2HE2 GLN 47 HE22 GLN 47 4.925 -9.616 -9.616 354 H LEU 48 HN LEU 48 9.530 -10.881 -10.881 355 HA LEU 48 HA LEU 48 11.493 -11.589 -11.589 356 1HB LEU 48 HB2 LEU 48 11.966 -12.542 -12.542 357 2HB LEU 48 HB1 LEU 48 13.165 -12.696 -12.696 358 HG LEU 48 HG LEU 48 13.841 -10.606 -10.606 359 1HD1 LEU 48 HD13 LEU 48 11.050 -9.774 -9.774 360 2HD1 LEU 48 HD12 LEU 48 12.391 -8.663 -8.663 361 3HD1 LEU 48 HD11 LEU 48 12.480 -9.861 -9.861 362 1HD2 LEU 48 HD21 LEU 48 11.401 -10.519 -10.519 363 2HD2 LEU 48 HD23 LEU 48 13.084 -10.737 -10.737 364 3HD2 LEU 48 HD22 LEU 48 12.531 -9.171 -9.171 365 H GLU 49 HN GLU 49 9.175 -13.681 -13.681 366 HA GLU 49 HA GLU 49 10.657 -16.093 -16.093 367 1HB GLU 49 HB2 GLU 49 8.353 -17.192 -17.192 368 2HB GLU 49 HB1 GLU 49 9.363 -16.661 -16.661 369 1HG GLU 49 HG2 GLU 49 8.114 -14.605 -14.605 370 2HG GLU 49 HG1 GLU 49 7.198 -14.962 -14.962 371 H ILE 50 HN ILE 50 7.917 -14.042 -14.042 372 HA ILE 50 HA ILE 50 7.014 -15.587 -15.587 373 HB ILE 50 HB ILE 50 6.863 -12.583 -12.583 374 1HG1 ILE 50 HG12 ILE 50 5.741 -14.654 -14.654 375 2HG1 ILE 50 HG11 ILE 50 5.789 -12.915 -12.915 376 1HG2 ILE 50 HG22 ILE 50 5.115 -14.692 -14.692 377 2HG2 ILE 50 HG21 ILE 50 4.734 -12.972 -12.972 378 3HG2 ILE 50 HG23 ILE 50 6.145 -13.531 -13.531 379 1HD1 ILE 50 HD11 ILE 50 3.828 -14.144 -14.144 380 2HD1 ILE 50 HD13 ILE 50 3.475 -14.089 -14.089 381 3HD1 ILE 50 HD12 ILE 50 3.745 -12.590 -12.590 382 H LEU 51 HN LEU 51 9.507 -13.080 -13.080 383 HA LEU 51 HA LEU 51 9.741 -12.811 -12.811 384 1HB LEU 51 HB2 LEU 51 12.276 -12.201 -12.201 385 2HB LEU 51 HB1 LEU 51 10.942 -11.063 -11.063 386 HG LEU 51 HG LEU 51 12.226 -10.961 -10.961 387 1HD1 LEU 51 HD11 LEU 51 9.430 -11.284 -11.284 388 2HD1 LEU 51 HD13 LEU 51 9.951 -12.188 -12.188 389 3HD1 LEU 51 HD12 LEU 51 10.365 -10.483 -10.483 390 1HD2 LEU 51 HD21 LEU 51 12.883 -13.440 -13.440 391 2HD2 LEU 51 HD23 LEU 51 12.624 -12.751 -12.751 392 3HD2 LEU 51 HD22 LEU 51 11.366 -13.753 -13.753 393 H GLU 52 HN GLU 52 11.978 -14.692 -14.692 394 HA GLU 52 HA GLU 52 13.242 -15.933 -15.933 395 1HB GLU 52 HB2 GLU 52 14.018 -17.669 -17.669 396 2HB GLU 52 HB1 GLU 52 14.362 -16.017 -16.017 397 1HG GLU 52 HG2 GLU 52 13.526 -17.125 -17.125 398 2HG GLU 52 HG1 GLU 52 12.207 -16.108 -16.108 399 H PHE 53 HN PHE 53 10.178 -16.547 -16.547 400 HA PHE 53 HA PHE 53 9.854 -19.287 -19.287 401 1HB PHE 53 HB2 PHE 53 8.243 -18.321 -18.321 402 2HB PHE 53 HB1 PHE 53 7.851 -17.051 -17.051 403 HD1 PHE 53 HD1 PHE 53 8.143 -20.801 -20.801 404 HD2 PHE 53 HD2 PHE 53 5.788 -17.330 -17.330 405 HE1 PHE 53 HE1 PHE 53 6.420 -22.248 -22.248 406 HE2 PHE 53 HE2 PHE 53 4.061 -18.781 -18.781 407 HZ PHE 53 HZ PHE 53 4.381 -21.243 -21.243 408 H LEU 54 HN LEU 54 7.990 -16.772 -16.772 409 HA LEU 54 HA LEU 54 7.608 -18.359 -18.359 410 1HB LEU 54 HB2 LEU 54 7.359 -15.818 -15.818 411 2HB LEU 54 HB1 LEU 54 6.086 -16.682 -16.682 412 HG LEU 54 HG LEU 54 6.798 -15.658 -15.658 413 1HD1 LEU 54 HD12 LEU 54 8.842 -14.380 -14.380 414 2HD1 LEU 54 HD11 LEU 54 8.364 -13.635 -13.635 415 3HD1 LEU 54 HD13 LEU 54 9.104 -15.232 -15.232 416 1HD2 LEU 54 HD23 LEU 54 5.074 -14.602 -14.602 417 2HD2 LEU 54 HD22 LEU 54 5.960 -13.426 -13.426 418 3HD2 LEU 54 HD21 LEU 54 6.341 -13.626 -13.626 419 H LEU 55 HN LEU 55 10.304 -16.453 -16.453 420 HA LEU 55 HA LEU 55 11.468 -16.039 -16.039 421 1HB LEU 55 HB2 LEU 55 12.083 -14.950 -14.950 422 2HB LEU 55 HB1 LEU 55 13.079 -16.378 -16.378 423 HG LEU 55 HG LEU 55 13.280 -14.545 -14.545 424 1HD1 LEU 55 HD12 LEU 55 14.708 -14.610 -14.610 425 2HD1 LEU 55 HD11 LEU 55 15.520 -13.988 -13.988 426 3HD1 LEU 55 HD13 LEU 55 14.040 -13.220 -13.220 427 1HD2 LEU 55 HD21 LEU 55 14.648 -17.051 -17.051 428 2HD2 LEU 55 HD23 LEU 55 14.299 -16.483 -16.483 429 3HD2 LEU 55 HD22 LEU 55 15.655 -15.805 -15.805 430 H LEU 56 HN LEU 56 11.652 -18.654 -18.654 431 HA LEU 56 HA LEU 56 13.712 -20.119 -20.119 432 1HB LEU 56 HB2 LEU 56 13.396 -21.752 -21.752 433 2HB LEU 56 HB1 LEU 56 12.591 -20.417 -20.417 434 HG LEU 56 HG LEU 56 10.466 -21.349 -21.349 435 1HD1 LEU 56 HD13 LEU 56 12.392 -23.683 -23.683 436 2HD1 LEU 56 HD12 LEU 56 10.647 -23.913 -23.913 437 3HD1 LEU 56 HD11 LEU 56 11.499 -23.136 -23.136 438 1HD2 LEU 56 HD21 LEU 56 11.700 -22.502 -22.502 439 2HD2 LEU 56 HD23 LEU 56 10.547 -21.173 -21.173 440 3HD2 LEU 56 HD22 LEU 56 10.037 -22.815 -22.815 441 H LYS 57 HN LYS 57 10.226 -20.043 -20.043 442 HA LYS 57 HA LYS 57 10.202 -22.236 -22.236 443 1HB LYS 57 HB2 LYS 57 8.301 -20.155 -20.155 444 2HB LYS 57 HB1 LYS 57 8.126 -20.581 -20.581 445 1HG LYS 57 HG2 LYS 57 6.696 -22.052 -22.052 446 2HG LYS 57 HG1 LYS 57 8.071 -23.005 -23.005 447 1HD LYS 57 HD2 LYS 57 9.134 -22.859 -22.859 448 2HD LYS 57 HD1 LYS 57 7.923 -21.713 -21.713 449 1HE LYS 57 HE2 LYS 57 6.226 -23.355 -23.355 450 2HE LYS 57 HE1 LYS 57 7.125 -24.453 -24.453 451 1HZ LYS 57 HZ3 LYS 57 8.849 -24.368 -24.368 452 2HZ LYS 57 HZ2 LYS 57 7.532 -23.855 -23.855 453 3HZ LYS 57 HZ1 LYS 57 7.483 -25.360 -25.360 454 H GLY 58 HN GLY 58 9.100 -19.170 -19.170 455 1HA GLY 58 HA2 GLY 58 10.920 -19.381 -19.381 456 2HA GLY 58 HA1 GLY 58 9.749 -18.083 -18.083 457 H ALA 59 HN ALA 59 11.006 -16.175 -16.175 458 HA ALA 59 HA ALA 59 12.570 -15.585 -15.585 459 1HB ALA 59 HB3 ALA 59 14.180 -16.633 -16.633 460 2HB ALA 59 HB2 ALA 59 14.873 -15.526 -15.526 461 3HB ALA 59 HB1 ALA 59 14.271 -17.097 -17.097 462 H ASP 60 HN ASP 60 11.200 -13.718 -13.718 463 HA ASP 60 HA ASP 60 11.822 -12.001 -12.001 464 1HB ASP 60 HB2 ASP 60 9.593 -12.086 -12.086 465 2HB ASP 60 HB1 ASP 60 10.431 -11.170 -11.170 466 H ILE 61 HN ILE 61 13.509 -12.978 -12.978 467 HA ILE 61 HA ILE 61 14.543 -10.810 -10.810 468 HB ILE 61 HB ILE 61 15.035 -13.283 -13.283 469 1HG1 ILE 61 HG12 ILE 61 17.252 -11.228 -11.228 470 2HG1 ILE 61 HG11 ILE 61 16.258 -11.749 -11.749 471 1HG2 ILE 61 HG23 ILE 61 15.714 -13.397 -13.397 472 2HG2 ILE 61 HG22 ILE 61 17.276 -12.797 -12.797 473 3HG2 ILE 61 HG21 ILE 61 16.652 -14.331 -14.331 474 1HD1 ILE 61 HD12 ILE 61 17.315 -14.138 -14.138 475 2HD1 ILE 61 HD11 ILE 61 18.636 -13.050 -13.050 476 3HD1 ILE 61 HD13 ILE 61 18.033 -13.104 -13.104 477 H ASN 62 HN ASN 62 15.151 -11.737 -11.737 478 HA ASN 62 HA ASN 62 16.944 -9.374 -9.374 479 1HB ASN 62 HB2 ASN 62 18.367 -10.694 -10.694 480 2HB ASN 62 HB1 ASN 62 18.389 -11.331 -11.331 481 1HD2 ASN 62 HD21 ASN 62 15.550 -12.434 -12.434 482 2HD2 ASN 62 HD22 ASN 62 15.784 -13.833 -13.833 483 H ALA 63 HN ALA 63 14.829 -11.657 -11.657 484 HA ALA 63 HA ALA 63 14.553 -11.126 -11.126 485 1HB ALA 63 HB3 ALA 63 12.834 -12.102 -12.102 486 2HB ALA 63 HB2 ALA 63 12.040 -10.546 -10.546 487 3HB ALA 63 HB1 ALA 63 12.313 -11.605 -11.605 488 HA PRO 64 HA PRO 64 12.151 -6.685 -6.685 489 1HB PRO 64 HB2 PRO 64 14.768 -6.029 -6.029 490 2HB PRO 64 HB1 PRO 64 13.150 -5.390 -5.390 491 1HG PRO 64 HG2 PRO 64 14.410 -7.522 -7.522 492 2HG PRO 64 HG1 PRO 64 12.690 -7.102 -7.102 493 1HD PRO 64 HD2 PRO 64 13.735 -9.501 -9.501 494 2HD PRO 64 HD1 PRO 64 12.094 -8.890 -8.890 495 H ASP 65 HN ASP 65 12.223 -5.469 -5.469 496 HA ASP 65 HA ASP 65 14.762 -4.997 -4.997 497 1HB ASP 65 HB2 ASP 65 12.128 -6.056 -6.056 498 2HB ASP 65 HB1 ASP 65 13.248 -5.210 -5.210 499 H LYS 66 HN LYS 66 11.300 -4.136 -4.136 500 HA LYS 66 HA LYS 66 11.784 -1.424 -1.424 501 1HB LYS 66 HB2 LYS 66 9.719 -2.756 -2.756 502 2HB LYS 66 HB1 LYS 66 9.270 -2.621 -2.621 503 1HG LYS 66 HG2 LYS 66 8.162 -0.856 -0.856 504 2HG LYS 66 HG1 LYS 66 9.516 -0.107 -0.107 505 1HD LYS 66 HD2 LYS 66 10.702 0.232 0.232 506 2HD LYS 66 HD1 LYS 66 9.807 -1.021 -1.021 507 1HE LYS 66 HE2 LYS 66 8.319 1.373 1.373 508 2HE LYS 66 HE1 LYS 66 9.277 1.528 1.528 509 1HZ LYS 66 HZ3 LYS 66 7.220 -0.563 -0.563 510 2HZ LYS 66 HZ2 LYS 66 6.956 0.874 0.874 511 3HZ LYS 66 HZ1 LYS 66 8.071 -0.272 -0.272 512 H HIS 67 HN HIS 67 11.416 -3.114 -3.114 513 HA HIS 67 HA HIS 67 10.975 -0.731 -0.731 514 1HB HIS 67 HB2 HIS 67 11.866 -3.509 -3.509 515 2HB HIS 67 HB1 HIS 67 11.165 -2.282 -2.282 516 HD1 HIS 67 HD1 HIS 67 9.753 -4.983 -4.983 517 HD2 HIS 67 HD2 HIS 67 8.870 -1.728 -1.728 518 HE1 HIS 67 HE1 HIS 67 7.418 -5.375 -5.375 519 H HIS 68 HN HIS 68 13.572 -2.033 -2.033 520 HA HIS 68 HA HIS 68 15.907 -1.894 -1.894 521 1HB HIS 68 HB2 HIS 68 15.135 0.431 0.431 522 2HB HIS 68 HB1 HIS 68 15.152 0.816 0.816 523 HD1 HIS 68 HD1 HIS 68 17.791 -1.536 -1.536 524 HD2 HIS 68 HD2 HIS 68 17.388 2.607 2.607 525 HE1 HIS 68 HE1 HIS 68 20.136 -0.582 -0.582 526 H ILE 69 HN ILE 69 14.376 -2.912 -2.912 527 HA ILE 69 HA ILE 69 16.677 -2.622 -2.622 528 HB ILE 69 HB ILE 69 14.500 -0.885 -0.885 529 1HG1 ILE 69 HG12 ILE 69 16.852 -0.485 -0.485 530 2HG1 ILE 69 HG11 ILE 69 15.781 -0.195 -0.195 531 1HG2 ILE 69 HG23 ILE 69 14.597 -3.017 -3.017 532 2HG2 ILE 69 HG22 ILE 69 13.676 -1.523 -1.523 533 3HG2 ILE 69 HG21 ILE 69 13.254 -2.747 -2.747 534 1HD1 ILE 69 HD11 ILE 69 16.300 -2.750 -2.750 535 2HD1 ILE 69 HD13 ILE 69 17.752 -2.408 -2.408 536 3HD1 ILE 69 HD12 ILE 69 17.398 -1.484 -1.484 537 H THR 70 HN THR 70 16.810 -4.075 -4.075 538 HA THR 70 HA THR 70 15.037 -6.435 -6.435 539 HB THR 70 HB THR 70 17.195 -7.196 -7.196 540 HG1 THR 70 HG1 THR 70 16.789 -8.483 -8.483 541 1HG2 THR 70 HG22 THR 70 18.082 -5.036 -5.036 542 2HG2 THR 70 HG21 THR 70 19.197 -6.242 -6.242 543 3HG2 THR 70 HG23 THR 70 18.369 -5.132 -5.132 544 HA PRO 71 HA PRO 71 13.425 -5.573 -5.573 545 1HB PRO 71 HB2 PRO 71 13.550 -8.310 -8.310 546 2HB PRO 71 HB1 PRO 71 12.151 -7.400 -7.400 547 1HG PRO 71 HG2 PRO 71 13.292 -9.533 -9.533 548 2HG PRO 71 HG1 PRO 71 12.312 -8.264 -8.264 549 1HD PRO 71 HD2 PRO 71 15.275 -8.610 -8.610 550 2HD PRO 71 HD1 PRO 71 14.215 -7.903 -7.903 551 H LEU 72 HN LEU 72 16.655 -7.093 -7.093 552 HA LEU 72 HA LEU 72 16.886 -7.166 -7.166 553 1HB LEU 72 HB2 LEU 72 19.326 -6.059 -6.059 554 2HB LEU 72 HB1 LEU 72 19.132 -7.464 -7.464 555 HG LEU 72 HG LEU 72 19.888 -8.362 -8.362 556 1HD1 LEU 72 HD12 LEU 72 16.951 -8.628 -8.628 557 2HD1 LEU 72 HD11 LEU 72 17.618 -9.169 -9.169 558 3HD1 LEU 72 HD13 LEU 72 18.209 -9.851 -9.851 559 1HD2 LEU 72 HD23 LEU 72 18.027 -6.471 -6.471 560 2HD2 LEU 72 HD22 LEU 72 19.783 -6.369 -6.369 561 3HD2 LEU 72 HD21 LEU 72 19.027 -7.707 -7.707 562 H LEU 73 HN LEU 73 17.204 -4.401 -4.401 563 HA LEU 73 HA LEU 73 17.946 -2.589 -2.589 564 1HB LEU 73 HB2 LEU 73 16.711 -1.922 -1.922 565 2HB LEU 73 HB1 LEU 73 17.488 -0.781 -0.781 566 HG LEU 73 HG LEU 73 19.521 -2.455 -2.455 567 1HD1 LEU 73 HD13 LEU 73 17.672 -3.520 -3.520 568 2HD1 LEU 73 HD12 LEU 73 19.169 -3.021 -3.021 569 3HD1 LEU 73 HD11 LEU 73 19.203 -4.181 -4.181 570 1HD2 LEU 73 HD23 LEU 73 18.635 -0.359 -0.359 571 2HD2 LEU 73 HD22 LEU 73 19.940 -0.300 -0.300 572 3HD2 LEU 73 HD21 LEU 73 20.127 -1.250 -1.250 573 H SER 74 HN SER 74 14.954 -3.905 -3.905 574 HA SER 74 HA SER 74 13.169 -1.905 -1.905 575 1HB SER 74 HB2 SER 74 12.486 -3.895 -3.895 576 2HB SER 74 HB1 SER 74 12.776 -4.911 -4.911 577 HG SER 74 HG SER 74 10.552 -3.900 -3.900 578 H ALA 75 HN ALA 75 14.578 -4.693 -4.693 579 HA ALA 75 HA ALA 75 13.374 -3.991 -3.991 580 1HB ALA 75 HB1 ALA 75 15.684 -5.815 -5.815 581 2HB ALA 75 HB3 ALA 75 15.014 -5.661 -5.661 582 3HB ALA 75 HB2 ALA 75 14.013 -6.285 -6.285 583 H VAL 76 HN VAL 76 16.444 -3.278 -3.278 584 HA VAL 76 HA VAL 76 18.045 -2.380 -2.380 585 HB VAL 76 HB VAL 76 17.545 -1.255 -1.255 586 1HG1 VAL 76 HG13 VAL 76 18.555 0.366 0.366 587 2HG1 VAL 76 HG12 VAL 76 20.023 -0.464 -0.464 588 3HG1 VAL 76 HG11 VAL 76 19.063 0.429 0.429 589 1HG2 VAL 76 HG21 VAL 76 18.598 -3.488 -3.488 590 2HG2 VAL 76 HG23 VAL 76 19.737 -2.318 -2.318 591 3HG2 VAL 76 HG22 VAL 76 19.847 -2.792 -2.792 592 H TYR 77 HN TYR 77 15.874 -0.055 -0.055 593 HA TYR 77 HA TYR 77 15.998 1.790 1.790 594 1HB TYR 77 HB2 TYR 77 13.829 2.071 2.071 595 2HB TYR 77 HB1 TYR 77 14.962 3.280 3.280 596 HD1 TYR 77 HD2 TYR 77 17.291 3.373 3.373 597 HD2 TYR 77 HD1 TYR 77 14.338 0.716 0.716 598 HE1 TYR 77 HE2 TYR 77 18.686 3.060 3.060 599 HE2 TYR 77 HE1 TYR 77 15.736 0.405 0.405 600 HH TYR 77 HH TYR 77 17.521 1.218 1.218 601 H GLU 78 HN GLU 78 15.118 -0.677 -0.677 602 HA GLU 78 HA GLU 78 12.253 -0.105 -0.105 603 1HB GLU 78 HB2 GLU 78 12.839 -2.167 -2.167 604 2HB GLU 78 HB1 GLU 78 13.370 -2.902 -2.902 605 1HG GLU 78 HG2 GLU 78 10.609 -2.169 -2.169 606 2HG GLU 78 HG1 GLU 78 11.165 -3.576 -3.576 607 H GLY 79 HN GLY 79 15.389 -1.327 -1.327 608 1HA GLY 79 HA2 GLY 79 16.252 -1.062 -1.062 609 2HA GLY 79 HA1 GLY 79 14.595 -0.831 -0.831 610 H HIS 80 HN HIS 80 14.208 -3.219 -3.219 611 HA HIS 80 HA HIS 80 14.161 -5.290 -5.290 612 1HB HIS 80 HB2 HIS 80 13.223 -4.972 -4.972 613 2HB HIS 80 HB1 HIS 80 13.583 -6.617 -6.617 614 HD1 HIS 80 HD1 HIS 80 11.194 -7.481 -7.481 615 HD2 HIS 80 HD2 HIS 80 11.879 -3.914 -3.914 616 HE1 HIS 80 HE1 HIS 80 9.161 -7.092 -7.092 617 H VAL 81 HN VAL 81 15.625 -5.089 -5.089 618 HA VAL 81 HA VAL 81 17.403 -6.352 -6.352 619 HB VAL 81 HB VAL 81 19.538 -5.689 -5.689 620 1HG1 VAL 81 HG12 VAL 81 18.697 -4.780 -4.780 621 2HG1 VAL 81 HG11 VAL 81 17.814 -3.561 -3.561 622 3HG1 VAL 81 HG13 VAL 81 19.577 -3.613 -3.613 623 1HG2 VAL 81 HG23 VAL 81 18.197 -5.015 -5.015 624 2HG2 VAL 81 HG22 VAL 81 19.144 -3.679 -3.679 625 3HG2 VAL 81 HG21 VAL 81 17.415 -3.768 -3.768 626 H SER 82 HN SER 82 15.827 -7.655 -7.655 627 HA SER 82 HA SER 82 17.821 -9.550 -9.550 628 1HB SER 82 HB2 SER 82 16.045 -9.410 -9.410 629 2HB SER 82 HB1 SER 82 14.854 -9.118 -9.118 630 HG SER 82 HG SER 82 14.981 -11.289 -11.289 631 H CYS 83 HN CYS 83 15.894 -8.906 -8.906 632 HA CYS 83 HA CYS 83 15.809 -11.626 -11.626 633 1HB CYS 83 HB2 CYS 83 15.087 -9.955 -9.955 634 2HB CYS 83 HB1 CYS 83 13.961 -10.582 -10.582 635 HG CYS 83 HG CYS 83 13.742 -8.314 -8.314 636 H VAL 84 HN VAL 84 17.207 -8.491 -8.491 637 HA VAL 84 HA VAL 84 18.769 -9.255 -9.255 638 HB VAL 84 HB VAL 84 20.542 -7.706 -7.706 639 1HG1 VAL 84 HG13 VAL 84 18.329 -6.892 -6.892 640 2HG1 VAL 84 HG12 VAL 84 17.822 -6.578 -6.578 641 3HG1 VAL 84 HG11 VAL 84 19.207 -5.721 -5.721 642 1HG2 VAL 84 HG22 VAL 84 19.030 -7.951 -7.951 643 2HG2 VAL 84 HG21 VAL 84 20.755 -8.156 -8.156 644 3HG2 VAL 84 HG23 VAL 84 20.041 -6.548 -6.548 645 H LYS 85 HN LYS 85 19.408 -9.949 -9.949 646 HA LYS 85 HA LYS 85 21.917 -11.232 -11.232 647 1HB LYS 85 HB2 LYS 85 19.712 -11.473 -11.473 648 2HB LYS 85 HB1 LYS 85 21.204 -12.377 -12.377 649 1HG LYS 85 HG2 LYS 85 22.209 -9.888 -9.888 650 2HG LYS 85 HG1 LYS 85 20.726 -9.474 -9.474 651 1HD LYS 85 HD2 LYS 85 22.224 -9.726 -9.726 652 2HD LYS 85 HD1 LYS 85 21.511 -11.337 -11.337 653 1HE LYS 85 HE2 LYS 85 23.471 -11.840 -11.840 654 2HE LYS 85 HE1 LYS 85 24.223 -10.422 -10.422 655 1HZ LYS 85 HZ1 LYS 85 23.107 -12.178 -12.178 656 2HZ LYS 85 HZ3 LYS 85 24.263 -12.965 -12.965 657 3HZ LYS 85 HZ2 LYS 85 24.682 -11.551 -11.551 658 H LEU 86 HN LEU 86 18.795 -12.867 -12.867 659 HA LEU 86 HA LEU 86 19.667 -15.418 -15.418 660 1HB LEU 86 HB2 LEU 86 17.832 -15.906 -15.906 661 2HB LEU 86 HB1 LEU 86 17.344 -14.221 -14.221 662 HG LEU 86 HG LEU 86 15.590 -15.585 -15.585 663 1HD1 LEU 86 HD13 LEU 86 16.607 -13.325 -13.325 664 2HD1 LEU 86 HD12 LEU 86 16.362 -14.458 -14.458 665 3HD1 LEU 86 HD11 LEU 86 15.021 -14.038 -14.038 666 1HD2 LEU 86 HD21 LEU 86 17.750 -16.985 -16.985 667 2HD2 LEU 86 HD23 LEU 86 16.047 -17.432 -17.432 668 3HD2 LEU 86 HD22 LEU 86 16.622 -16.431 -16.431 669 H LEU 87 HN LEU 87 19.040 -12.568 -12.568 670 HA LEU 87 HA LEU 87 17.808 -13.735 -13.735 671 1HB LEU 87 HB2 LEU 87 18.119 -11.159 -11.159 672 2HB LEU 87 HB1 LEU 87 19.098 -11.158 -11.158 673 HG LEU 87 HG LEU 87 16.222 -12.093 -12.093 674 1HD1 LEU 87 HD13 LEU 87 17.474 -9.484 -9.484 675 2HD1 LEU 87 HD12 LEU 87 15.868 -9.987 -9.987 676 3HD1 LEU 87 HD11 LEU 87 16.192 -9.725 -9.725 677 1HD2 LEU 87 HD23 LEU 87 18.310 -11.998 -11.998 678 2HD2 LEU 87 HD22 LEU 87 17.057 -13.205 -13.205 679 3HD2 LEU 87 HD21 LEU 87 16.641 -11.665 -11.665 680 H LEU 88 HN LEU 88 21.048 -12.108 -12.108 681 HA LEU 88 HA LEU 88 21.922 -13.035 -13.035 682 1HB LEU 88 HB2 LEU 88 24.090 -12.331 -12.331 683 2HB LEU 88 HB1 LEU 88 23.092 -11.245 -11.245 684 HG LEU 88 HG LEU 88 24.879 -11.880 -11.880 685 1HD1 LEU 88 HD11 LEU 88 22.412 -12.202 -12.202 686 2HD1 LEU 88 HD13 LEU 88 22.859 -13.905 -13.905 687 3HD1 LEU 88 HD12 LEU 88 23.756 -12.729 -12.729 688 1HD2 LEU 88 HD22 LEU 88 25.131 -14.113 -14.113 689 2HD2 LEU 88 HD21 LEU 88 25.989 -13.862 -13.862 690 3HD2 LEU 88 HD23 LEU 88 24.504 -14.810 -14.810 691 H SER 89 HN SER 89 21.318 -14.812 -14.812 692 HA SER 89 HA SER 89 23.238 -16.902 -16.902 693 1HB SER 89 HB2 SER 89 21.797 -18.100 -18.100 694 2HB SER 89 HB1 SER 89 21.113 -16.493 -16.493 695 HG SER 89 HG SER 89 19.415 -17.059 -17.059 696 H LYS 90 HN LYS 90 20.767 -15.838 -15.838 697 HA LYS 90 HA LYS 90 20.835 -18.324 -18.324 698 1HB LYS 90 HB2 LYS 90 18.958 -15.967 -15.967 699 2HB LYS 90 HB1 LYS 90 18.955 -16.992 -16.992 700 1HG LYS 90 HG2 LYS 90 18.373 -18.914 -18.914 701 2HG LYS 90 HG1 LYS 90 18.722 -18.126 -18.126 702 1HD LYS 90 HD2 LYS 90 16.688 -16.767 -16.767 703 2HD LYS 90 HD1 LYS 90 16.205 -18.339 -18.339 704 1HE LYS 90 HE2 LYS 90 17.251 -16.007 -16.007 705 2HE LYS 90 HE1 LYS 90 15.579 -16.563 -16.563 706 1HZ LYS 90 HZ3 LYS 90 16.912 -18.820 -18.820 707 2HZ LYS 90 HZ2 LYS 90 17.838 -17.654 -17.654 708 3HZ LYS 90 HZ1 LYS 90 16.176 -17.801 -17.801 709 H GLY 91 HN GLY 91 22.084 -15.180 -15.180 710 1HA GLY 91 HA2 GLY 91 24.001 -14.744 -14.744 711 2HA GLY 91 HA1 GLY 91 22.865 -15.158 -15.158 712 H ALA 92 HN ALA 92 21.263 -13.655 -13.655 713 HA ALA 92 HA ALA 92 20.453 -11.478 -11.478 714 1HB ALA 92 HB1 ALA 92 20.096 -12.214 -12.214 715 2HB ALA 92 HB3 ALA 92 20.567 -10.518 -10.518 716 3HB ALA 92 HB2 ALA 92 19.157 -11.043 -11.043 717 H ASP 93 HN ASP 93 23.603 -11.915 -11.915 718 HA ASP 93 HA ASP 93 25.412 -10.412 -10.412 719 1HB ASP 93 HB2 ASP 93 24.361 -10.181 -10.181 720 2HB ASP 93 HB1 ASP 93 24.112 -8.531 -8.531 721 H LYS 94 HN LYS 94 24.516 -7.381 -7.381 722 HA LYS 94 HA LYS 94 22.833 -6.751 -6.751 723 1HB LYS 94 HB2 LYS 94 24.350 -5.605 -5.605 724 2HB LYS 94 HB1 LYS 94 25.160 -7.110 -7.110 725 1HG LYS 94 HG2 LYS 94 25.660 -4.672 -4.672 726 2HG LYS 94 HG1 LYS 94 26.468 -4.835 -4.835 727 1HD LYS 94 HD2 LYS 94 28.024 -6.081 -6.081 728 2HD LYS 94 HD1 LYS 94 26.809 -7.354 -7.354 729 1HE LYS 94 HE2 LYS 94 26.166 -6.814 -6.814 730 2HE LYS 94 HE1 LYS 94 26.838 -5.189 -5.189 731 1HZ LYS 94 HZ3 LYS 94 29.052 -6.206 -6.206 732 2HZ LYS 94 HZ2 LYS 94 28.349 -7.736 -7.736 733 3HZ LYS 94 HZ1 LYS 94 28.250 -6.559 -6.559 734 H THR 95 HN THR 95 24.883 -5.707 -5.707 735 HA THR 95 HA THR 95 23.048 -3.378 -3.378 736 HB THR 95 HB THR 95 25.908 -3.372 -3.372 737 HG1 THR 95 HG1 THR 95 26.626 -2.738 -2.738 738 1HG2 THR 95 HG21 THR 95 24.194 -1.713 -1.713 739 2HG2 THR 95 HG23 THR 95 24.076 -1.119 -1.119 740 3HG2 THR 95 HG22 THR 95 25.598 -0.983 -0.983 741 H VAL 96 HN VAL 96 22.601 -5.957 -5.957 742 HA VAL 96 HA VAL 96 23.743 -6.307 -6.307 743 HB VAL 96 HB VAL 96 22.236 -7.851 -7.851 744 1HG1 VAL 96 HG13 VAL 96 20.262 -7.364 -7.364 745 2HG1 VAL 96 HG12 VAL 96 21.132 -7.955 -7.955 746 3HG1 VAL 96 HG11 VAL 96 20.728 -9.060 -9.060 747 1HG2 VAL 96 HG22 VAL 96 24.377 -8.445 -8.445 748 2HG2 VAL 96 HG21 VAL 96 23.158 -9.711 -9.711 749 3HG2 VAL 96 HG23 VAL 96 23.489 -8.647 -8.647 750 H LYS 97 HN LYS 97 21.287 -4.262 -4.262 751 HA LYS 97 HA LYS 97 20.539 -3.690 -3.690 752 1HB LYS 97 HB2 LYS 97 19.022 -5.635 -5.635 753 2HB LYS 97 HB1 LYS 97 18.111 -4.213 -4.213 754 1HG LYS 97 HG2 LYS 97 17.164 -4.609 -4.609 755 2HG LYS 97 HG1 LYS 97 18.447 -3.480 -3.480 756 1HD LYS 97 HD2 LYS 97 19.931 -5.444 -5.444 757 2HD LYS 97 HD1 LYS 97 18.549 -6.503 -6.503 758 1HE LYS 97 HE2 LYS 97 17.369 -5.634 -5.634 759 2HE LYS 97 HE1 LYS 97 18.424 -4.225 -4.225 760 1HZ LYS 97 HZ3 LYS 97 19.644 -6.872 -6.872 761 2HZ LYS 97 HZ2 LYS 97 18.720 -6.300 -6.300 762 3HZ LYS 97 HZ1 LYS 97 20.058 -5.410 -5.410 763 H GLY 98 HN GLY 98 21.124 -2.592 -2.592 764 1HA GLY 98 HA2 GLY 98 19.157 -0.461 -0.461 765 2HA GLY 98 HA1 GLY 98 20.664 -0.555 -0.555 766 HA PRO 99 HA PRO 99 20.829 2.743 2.743 767 1HB PRO 99 HB2 PRO 99 21.957 4.488 4.488 768 2HB PRO 99 HB1 PRO 99 20.413 4.669 4.669 769 1HG PRO 99 HG2 PRO 99 20.899 3.794 3.794 770 2HG PRO 99 HG1 PRO 99 19.358 4.200 4.200 771 1HD PRO 99 HD2 PRO 99 20.217 1.605 1.605 772 2HD PRO 99 HD1 PRO 99 18.861 1.982 1.982 773 H ASP 100 HN ASP 100 23.126 3.245 3.245 774 HA ASP 100 HA ASP 100 25.220 1.873 1.873 775 1HB ASP 100 HB2 ASP 100 25.207 4.422 4.422 776 2HB ASP 100 HB1 ASP 100 25.693 4.528 4.528 777 H GLY 101 HN GLY 101 27.024 3.179 3.179 778 1HA GLY 101 HA2 GLY 101 27.237 0.943 0.943 779 2HA GLY 101 HA1 GLY 101 27.932 2.527 2.527 780 H LEU 102 HN LEU 102 24.662 3.011 3.011 781 HA LEU 102 HA LEU 102 24.083 3.812 3.812 782 1HB LEU 102 HB2 LEU 102 22.585 4.149 4.149 783 2HB LEU 102 HB1 LEU 102 22.070 2.475 2.475 784 HG LEU 102 HG LEU 102 21.703 4.686 4.686 785 1HD1 LEU 102 HD11 LEU 102 19.795 3.150 3.150 786 2HD1 LEU 102 HD13 LEU 102 19.288 4.159 4.159 787 3HD1 LEU 102 HD12 LEU 102 20.116 4.886 4.886 788 1HD2 LEU 102 HD23 LEU 102 21.198 1.711 1.711 789 2HD2 LEU 102 HD22 LEU 102 21.974 2.751 2.751 790 3HD2 LEU 102 HD21 LEU 102 20.236 2.829 2.829 791 H THR 103 HN THR 103 22.800 0.769 0.769 792 HA THR 103 HA THR 103 21.934 -0.948 -0.948 793 HB THR 103 HB THR 103 23.802 -2.048 -2.048 794 HG1 THR 103 HG1 THR 103 23.534 -3.207 -3.207 795 1HG2 THR 103 HG21 THR 103 25.425 -0.069 -0.069 796 2HG2 THR 103 HG23 THR 103 26.142 -1.509 -1.509 797 3HG2 THR 103 HG22 THR 103 25.394 -0.285 -0.285 798 H ALA 104 HN ALA 104 24.560 -1.066 -1.066 799 HA ALA 104 HA ALA 104 22.867 -0.061 -0.061 800 1HB ALA 104 HB2 ALA 104 25.428 -1.650 -1.650 801 2HB ALA 104 HB1 ALA 104 24.823 -0.967 -0.967 802 3HB ALA 104 HB3 ALA 104 23.855 -2.147 -2.147 803 H LEU 105 HN LEU 105 25.751 0.899 0.899 804 HA LEU 105 HA LEU 105 26.982 2.601 2.601 805 1HB LEU 105 HB2 LEU 105 26.765 3.222 3.222 806 2HB LEU 105 HB1 LEU 105 28.072 3.620 3.620 807 HG LEU 105 HG LEU 105 27.296 0.869 0.869 808 1HD1 LEU 105 HD12 LEU 105 28.658 2.435 2.435 809 2HD1 LEU 105 HD11 LEU 105 29.916 2.367 2.367 810 3HD1 LEU 105 HD13 LEU 105 29.435 0.899 0.899 811 1HD2 LEU 105 HD22 LEU 105 29.211 1.755 1.755 812 2HD2 LEU 105 HD21 LEU 105 27.933 0.544 0.544 813 3HD2 LEU 105 HD23 LEU 105 29.389 0.209 0.209 814 H GLU 106 HN GLU 106 25.132 4.006 4.006 815 HA GLU 106 HA GLU 106 24.750 6.434 6.434 816 1HB GLU 106 HB2 GLU 106 23.324 5.684 5.684 817 2HB GLU 106 HB1 GLU 106 23.725 7.286 7.286 818 1HG GLU 106 HG2 GLU 106 25.840 5.227 5.227 819 2HG GLU 106 HG1 GLU 106 25.219 6.351 6.351 820 H ALA 107 HN ALA 107 23.321 3.581 3.581 821 HA ALA 107 HA ALA 107 20.524 4.389 4.389 822 1HB ALA 107 HB3 ALA 107 22.027 1.980 1.980 823 2HB ALA 107 HB2 ALA 107 20.353 2.230 2.230 824 3HB ALA 107 HB1 ALA 107 20.756 2.082 2.082 825 H THR 108 HN THR 108 22.917 3.807 3.807 826 HA THR 108 HA THR 108 21.422 5.785 5.785 827 HB THR 108 HB THR 108 20.210 3.648 3.648 828 HG1 THR 108 HG1 THR 108 20.263 3.709 3.709 829 1HG2 THR 108 HG23 THR 108 22.476 2.380 2.380 830 2HG2 THR 108 HG22 THR 108 22.648 2.573 2.573 831 3HG2 THR 108 HG21 THR 108 21.266 1.697 1.697 832 H ASP 109 HN ASP 109 22.390 4.613 4.613 833 HA ASP 109 HA ASP 109 25.319 4.775 4.775 834 1HB ASP 109 HB2 ASP 109 24.427 7.112 7.112 835 2HB ASP 109 HB1 ASP 109 23.765 6.522 6.522 836 H ASN 110 HN ASN 110 22.528 3.351 3.351 837 HA ASN 110 HA ASN 110 23.668 2.601 2.601 838 1HB ASN 110 HB2 ASN 110 21.771 1.078 1.078 839 2HB ASN 110 HB1 ASN 110 21.185 2.633 2.633 840 1HD2 ASN 110 HD21 ASN 110 22.655 1.559 1.559 841 2HD2 ASN 110 HD22 ASN 110 21.408 0.673 0.673 842 H GLN 111 HN GLN 111 24.860 0.764 0.764 843 HA GLN 111 HA GLN 111 26.283 -0.311 -0.311 844 1HB GLN 111 HB2 GLN 111 27.465 0.050 0.050 845 2HB GLN 111 HB1 GLN 111 26.328 -0.903 -0.903 846 1HG GLN 111 HG2 GLN 111 27.143 -2.939 -2.939 847 2HG GLN 111 HG1 GLN 111 27.855 -2.174 -2.174 848 1HE2 GLN 111 HE21 GLN 111 28.201 -2.294 -2.294 849 2HE2 GLN 111 HE22 GLN 111 29.869 -1.983 -1.983 850 H ALA 112 HN ALA 112 23.229 -1.252 -1.252 851 HA ALA 112 HA ALA 112 23.703 -4.156 -4.156 852 1HB ALA 112 HB1 ALA 112 21.124 -2.568 -2.568 853 2HB ALA 112 HB3 ALA 112 21.228 -4.329 -4.329 854 3HB ALA 112 HB2 ALA 112 21.775 -3.367 -3.367 855 H ILE 113 HN ILE 113 22.474 -1.546 -1.546 856 HA ILE 113 HA ILE 113 21.941 -3.023 -3.023 857 HB ILE 113 HB ILE 113 22.350 -0.158 -0.158 858 1HG1 ILE 113 HG12 ILE 113 20.137 -0.018 -0.018 859 2HG1 ILE 113 HG11 ILE 113 20.132 -1.774 -1.774 860 1HG2 ILE 113 HG22 ILE 113 22.531 -1.224 -1.224 861 2HG2 ILE 113 HG21 ILE 113 21.912 0.398 0.398 862 3HG2 ILE 113 HG23 ILE 113 23.545 -0.023 -0.023 863 1HD1 ILE 113 HD13 ILE 113 20.715 -1.082 -1.082 864 2HD1 ILE 113 HD12 ILE 113 19.615 0.204 0.204 865 3HD1 ILE 113 HD11 ILE 113 19.107 -1.479 -1.479 866 H LYS 114 HN LYS 114 24.528 -0.899 -0.899 867 HA LYS 114 HA LYS 114 26.251 -1.217 -1.217 868 1HB LYS 114 HB2 LYS 114 27.122 -0.918 -0.918 869 2HB LYS 114 HB1 LYS 114 27.982 -0.361 -0.361 870 1HG LYS 114 HG2 LYS 114 25.213 0.634 0.634 871 2HG LYS 114 HG1 LYS 114 26.686 1.452 1.452 872 1HD LYS 114 HD2 LYS 114 27.334 1.530 1.530 873 2HD LYS 114 HD1 LYS 114 25.695 0.989 0.989 874 1HE LYS 114 HE2 LYS 114 25.537 3.333 3.333 875 2HE LYS 114 HE1 LYS 114 24.933 2.969 2.969 876 1HZ LYS 114 HZ1 LYS 114 27.254 3.347 3.347 877 2HZ LYS 114 HZ3 LYS 114 27.637 3.935 3.935 878 3HZ LYS 114 HZ2 LYS 114 26.475 4.733 4.733 879 H ALA 115 HN ALA 115 25.174 -3.480 -3.480 880 HA ALA 115 HA ALA 115 27.461 -5.198 -5.198 881 1HB ALA 115 HB3 ALA 115 25.254 -5.299 -5.299 882 2HB ALA 115 HB2 ALA 115 24.635 -6.242 -6.242 883 3HB ALA 115 HB1 ALA 115 26.035 -6.813 -6.813 884 H LEU 116 HN LEU 116 24.778 -4.863 -4.863 885 HA LEU 116 HA LEU 116 25.609 -7.186 -7.186 886 1HB LEU 116 HB2 LEU 116 23.579 -5.059 -5.059 887 2HB LEU 116 HB1 LEU 116 24.240 -5.592 -5.592 888 HG LEU 116 HG LEU 116 22.838 -7.271 -7.271 889 1HD1 LEU 116 HD12 LEU 116 22.310 -6.574 -6.574 890 2HD1 LEU 116 HD11 LEU 116 21.441 -7.844 -7.844 891 3HD1 LEU 116 HD13 LEU 116 21.314 -6.167 -6.167 892 1HD2 LEU 116 HD23 LEU 116 24.739 -8.079 -8.079 893 2HD2 LEU 116 HD22 LEU 116 24.351 -8.895 -8.895 894 3HD2 LEU 116 HD21 LEU 116 23.262 -9.027 -9.027 895 H LEU 117 HN LEU 117 26.747 -3.928 -3.928 896 HA LEU 117 HA LEU 117 27.991 -3.943 -3.943 897 1HB LEU 117 HB2 LEU 117 28.349 -1.738 -1.738 898 2HB LEU 117 HB1 LEU 117 27.311 -1.933 -1.933 899 HG LEU 117 HG LEU 117 29.503 -2.560 -2.560 900 1HD1 LEU 117 HD11 LEU 117 30.556 -2.051 -2.051 901 2HD1 LEU 117 HD13 LEU 117 31.105 -0.751 -0.751 902 3HD1 LEU 117 HD12 LEU 117 31.457 -2.424 -2.424 903 1HD2 LEU 117 HD21 LEU 117 28.074 -0.340 -0.340 904 2HD2 LEU 117 HD23 LEU 117 29.675 -0.341 -0.341 905 3HD2 LEU 117 HD22 LEU 117 29.448 0.305 0.305 906 H GLN 118 HN GLN 118 28.476 -5.702 -5.702 907 HA GLN 118 HA GLN 118 31.310 -5.564 -5.564 908 1HB GLN 118 HB2 GLN 118 31.020 -7.610 -7.610 909 2HB GLN 118 HB1 GLN 118 29.561 -6.661 -6.661 910 1HG GLN 118 HG2 GLN 118 28.618 -8.717 -8.717 911 2HG GLN 118 HG1 GLN 118 28.701 -7.960 -7.960 912 1HE2 GLN 118 HE21 GLN 118 30.803 -9.958 -9.958 913 2HE2 GLN 118 HE22 GLN 118 31.468 -10.879 -10.879 Start of MODEL 23 1 1H MET 1 HT1 MET 1 -10.704 -7.314 -7.314 2 2H MET 1 HT3 MET 1 -12.266 -6.852 -6.852 3 3H MET 1 HT2 MET 1 -10.954 -6.591 -6.591 4 HA MET 1 HA MET 1 -11.625 -8.483 -8.483 5 1HB MET 1 HB2 MET 1 -12.927 -10.220 -10.220 6 2HB MET 1 HB1 MET 1 -13.716 -8.652 -8.652 7 1HG MET 1 HG2 MET 1 -13.051 -7.966 -7.966 8 2HG MET 1 HG1 MET 1 -12.024 -9.387 -9.387 9 1HE MET 1 HE1 MET 1 -13.191 -9.225 -9.225 10 2HE MET 1 HE3 MET 1 -13.085 -10.977 -10.977 11 3HE MET 1 HE2 MET 1 -14.569 -10.248 -10.248 12 H CYS 2 HN CYS 2 -10.635 -10.577 -10.577 13 HA CYS 2 HA CYS 2 -8.996 -12.199 -12.199 14 1HB CYS 2 HB2 CYS 2 -8.716 -11.267 -11.267 15 2HB CYS 2 HB1 CYS 2 -8.612 -12.899 -12.899 16 HG CYS 2 HG CYS 2 -11.260 -12.741 -12.741 17 H ASP 3 HN ASP 3 -8.142 -9.326 -9.326 18 HA ASP 3 HA ASP 3 -5.379 -9.425 -9.425 19 1HB ASP 3 HB2 ASP 3 -6.943 -6.847 -6.847 20 2HB ASP 3 HB1 ASP 3 -5.311 -7.063 -7.063 21 H LYS 4 HN LYS 4 -7.663 -7.868 -7.868 22 HA LYS 4 HA LYS 4 -5.837 -6.922 -6.922 23 1HB LYS 4 HB2 LYS 4 -8.529 -8.168 -8.168 24 2HB LYS 4 HB1 LYS 4 -7.660 -6.992 -6.992 25 1HG LYS 4 HG2 LYS 4 -7.780 -5.375 -5.375 26 2HG LYS 4 HG1 LYS 4 -8.777 -6.539 -6.539 27 1HD LYS 4 HD2 LYS 4 -10.342 -6.517 -6.517 28 2HD LYS 4 HD1 LYS 4 -9.434 -5.120 -5.120 29 1HE LYS 4 HE2 LYS 4 -11.308 -4.262 -4.262 30 2HE LYS 4 HE1 LYS 4 -9.884 -4.036 -4.036 31 1HZ LYS 4 HZ2 LYS 4 -10.541 -6.381 -6.381 32 2HZ LYS 4 HZ1 LYS 4 -12.080 -5.962 -5.962 33 3HZ LYS 4 HZ3 LYS 4 -11.332 -5.001 -5.001 34 H GLU 5 HN GLU 5 -7.654 -9.995 -9.995 35 HA GLU 5 HA GLU 5 -6.281 -11.119 -11.119 36 1HB GLU 5 HB2 GLU 5 -7.484 -12.312 -12.312 37 2HB GLU 5 HB1 GLU 5 -6.617 -13.365 -13.365 38 1HG GLU 5 HG2 GLU 5 -8.105 -12.879 -12.879 39 2HG GLU 5 HG1 GLU 5 -8.793 -11.492 -11.492 40 H PHE 6 HN PHE 6 -5.169 -10.831 -10.831 41 HA PHE 6 HA PHE 6 -2.882 -12.533 -12.533 42 1HB PHE 6 HB2 PHE 6 -3.990 -11.425 -11.425 43 2HB PHE 6 HB1 PHE 6 -2.908 -10.087 -10.087 44 HD1 PHE 6 HD2 PHE 6 -0.677 -12.181 -12.181 45 HD2 PHE 6 HD1 PHE 6 -2.894 -11.771 -11.771 46 HE1 PHE 6 HE2 PHE 6 1.118 -13.346 -13.346 47 HE2 PHE 6 HE1 PHE 6 -1.083 -12.945 -12.945 48 HZ PHE 6 HZ PHE 6 0.924 -13.731 -13.731 49 H MET 7 HN MET 7 -2.592 -8.983 -8.983 50 HA MET 7 HA MET 7 -0.115 -8.744 -8.744 51 1HB MET 7 HB2 MET 7 -0.451 -6.420 -6.420 52 2HB MET 7 HB1 MET 7 -1.413 -6.957 -6.957 53 1HG MET 7 HG2 MET 7 -3.375 -7.110 -7.110 54 2HG MET 7 HG1 MET 7 -2.353 -6.139 -6.139 55 1HE MET 7 HE2 MET 7 -3.623 -6.764 -6.764 56 2HE MET 7 HE1 MET 7 -4.860 -5.516 -5.516 57 3HE MET 7 HE3 MET 7 -3.350 -5.302 -5.302 58 H TRP 8 HN TRP 8 -3.339 -8.537 -8.537 59 HA TRP 8 HA TRP 8 -2.703 -7.741 -7.741 60 1HB TRP 8 HB2 TRP 8 -4.993 -8.408 -8.408 61 2HB TRP 8 HB1 TRP 8 -4.598 -10.044 -10.044 62 HD1 TRP 8 HD1 TRP 8 -4.559 -10.537 -10.537 63 HE1 TRP 8 HE1 TRP 8 -5.445 -9.227 -9.227 64 HE3 TRP 8 HE3 TRP 8 -5.355 -5.978 -5.978 65 HZ2 TRP 8 HZ2 TRP 8 -6.374 -6.600 -6.600 66 HZ3 TRP 8 HZ3 TRP 8 -6.241 -4.092 -4.092 67 HH2 TRP 8 HH2 TRP 8 -6.752 -4.397 -4.397 68 H ALA 9 HN ALA 9 -1.817 -10.819 -10.819 69 HA ALA 9 HA ALA 9 -1.189 -11.978 -11.978 70 1HB ALA 9 HB2 ALA 9 -0.767 -12.999 -12.999 71 2HB ALA 9 HB1 ALA 9 -0.428 -13.925 -13.925 72 3HB ALA 9 HB3 ALA 9 -2.082 -13.440 -13.440 73 H LEU 10 HN LEU 10 0.674 -10.930 -10.930 74 HA LEU 10 HA LEU 10 3.220 -11.549 -11.549 75 1HB LEU 10 HB2 LEU 10 2.528 -9.215 -9.215 76 2HB LEU 10 HB1 LEU 10 4.138 -9.877 -9.877 77 HG LEU 10 HG LEU 10 2.725 -12.130 -12.130 78 1HD1 LEU 10 HD12 LEU 10 0.761 -10.771 -10.771 79 2HD1 LEU 10 HD11 LEU 10 1.765 -9.822 -9.822 80 3HD1 LEU 10 HD13 LEU 10 1.472 -11.528 -11.528 81 1HD2 LEU 10 HD21 LEU 10 4.368 -10.159 -10.159 82 2HD2 LEU 10 HD23 LEU 10 4.859 -11.723 -11.723 83 3HD2 LEU 10 HD22 LEU 10 3.758 -11.646 -11.646 84 H LYS 11 HN LYS 11 0.943 -9.413 -9.413 85 HA LYS 11 HA LYS 11 2.732 -7.354 -7.354 86 1HB LYS 11 HB2 LYS 11 0.650 -6.656 -6.656 87 2HB LYS 11 HB1 LYS 11 -0.200 -7.943 -7.943 88 1HG LYS 11 HG2 LYS 11 0.041 -6.833 -6.833 89 2HG LYS 11 HG1 LYS 11 1.271 -5.737 -5.737 90 1HD LYS 11 HD2 LYS 11 -0.327 -4.539 -4.539 91 2HD LYS 11 HD1 LYS 11 -1.552 -5.788 -5.788 92 1HE LYS 11 HE2 LYS 11 -1.794 -3.675 -3.675 93 2HE LYS 11 HE1 LYS 11 -1.870 -5.220 -5.220 94 1HZ LYS 11 HZ1 LYS 11 0.793 -4.153 -4.153 95 2HZ LYS 11 HZ3 LYS 11 -0.232 -3.191 -3.191 96 3HZ LYS 11 HZ2 LYS 11 0.033 -4.819 -4.819 97 H ASN 12 HN ASN 12 0.099 -9.137 -9.137 98 HA ASN 12 HA ASN 12 1.347 -8.789 -8.789 99 1HB ASN 12 HB2 ASN 12 -1.180 -9.989 -9.989 100 2HB ASN 12 HB1 ASN 12 -0.688 -10.409 -10.409 101 1HD2 ASN 12 HD21 ASN 12 -2.545 -8.200 -8.200 102 2HD2 ASN 12 HD22 ASN 12 -2.493 -6.909 -6.909 103 H GLY 13 HN GLY 13 2.478 -10.674 -10.674 104 1HA GLY 13 HA2 GLY 13 3.812 -12.583 -12.583 105 2HA GLY 13 HA1 GLY 13 3.572 -12.552 -12.552 106 H ASP 14 HN ASP 14 0.740 -12.597 -12.597 107 HA ASP 14 HA ASP 14 -0.097 -15.096 -15.096 108 1HB ASP 14 HB2 ASP 14 -1.356 -14.043 -14.043 109 2HB ASP 14 HB1 ASP 14 -2.092 -14.806 -14.806 110 H LEU 15 HN LEU 15 2.210 -15.582 -15.582 111 HA LEU 15 HA LEU 15 2.821 -16.241 -16.241 112 1HB LEU 15 HB2 LEU 15 4.388 -16.262 -16.262 113 2HB LEU 15 HB1 LEU 15 3.559 -17.606 -17.606 114 HG LEU 15 HG LEU 15 5.690 -18.144 -18.144 115 1HD1 LEU 15 HD13 LEU 15 3.359 -19.640 -19.640 116 2HD1 LEU 15 HD12 LEU 15 3.753 -19.802 -19.802 117 3HD1 LEU 15 HD11 LEU 15 4.937 -20.242 -20.242 118 1HD2 LEU 15 HD23 LEU 15 4.995 -16.548 -16.548 119 2HD2 LEU 15 HD22 LEU 15 5.739 -18.077 -18.077 120 3HD2 LEU 15 HD21 LEU 15 3.995 -17.885 -17.885 121 H ASP 16 HN ASP 16 0.673 -17.871 -17.871 122 HA ASP 16 HA ASP 16 0.476 -20.380 -20.380 123 1HB ASP 16 HB2 ASP 16 -1.467 -18.823 -18.823 124 2HB ASP 16 HB1 ASP 16 -1.759 -20.467 -20.467 125 H GLU 17 HN GLU 17 -1.000 -17.233 -17.233 126 HA GLU 17 HA GLU 17 -3.008 -18.228 -18.228 127 1HB GLU 17 HB2 GLU 17 -2.094 -15.573 -15.573 128 2HB GLU 17 HB1 GLU 17 -2.895 -15.577 -15.577 129 1HG GLU 17 HG2 GLU 17 -4.108 -17.001 -17.001 130 2HG GLU 17 HG1 GLU 17 -4.369 -15.276 -15.276 131 H VAL 18 HN VAL 18 0.076 -16.460 -16.460 132 HA VAL 18 HA VAL 18 -0.002 -16.496 -16.496 133 HB VAL 18 HB VAL 18 2.718 -16.520 -16.520 134 1HG1 VAL 18 HG12 VAL 18 1.232 -14.689 -14.689 135 2HG1 VAL 18 HG11 VAL 18 1.226 -13.951 -13.951 136 3HG1 VAL 18 HG13 VAL 18 2.750 -14.247 -14.247 137 1HG2 VAL 18 HG22 VAL 18 1.788 -16.710 -16.710 138 2HG2 VAL 18 HG21 VAL 18 3.153 -15.688 -15.688 139 3HG2 VAL 18 HG23 VAL 18 1.557 -14.972 -14.972 140 H LYS 19 HN LYS 19 0.969 -18.774 -18.774 141 HA LYS 19 HA LYS 19 2.479 -20.583 -20.583 142 1HB LYS 19 HB2 LYS 19 2.341 -20.667 -20.667 143 2HB LYS 19 HB1 LYS 19 0.636 -21.029 -21.029 144 1HG LYS 19 HG2 LYS 19 1.686 -23.111 -23.111 145 2HG LYS 19 HG1 LYS 19 1.302 -23.149 -23.149 146 1HD LYS 19 HD2 LYS 19 3.562 -23.964 -23.964 147 2HD LYS 19 HD1 LYS 19 3.623 -22.437 -22.437 148 1HE LYS 19 HE2 LYS 19 5.242 -22.912 -22.912 149 2HE LYS 19 HE1 LYS 19 4.548 -21.310 -21.310 150 1HZ LYS 19 HZ3 LYS 19 3.254 -23.409 -23.409 151 2HZ LYS 19 HZ2 LYS 19 4.379 -22.307 -22.307 152 3HZ LYS 19 HZ1 LYS 19 2.919 -21.746 -21.746 153 H ASP 20 HN ASP 20 -0.979 -20.137 -20.137 154 HA ASP 20 HA ASP 20 -1.711 -22.564 -22.564 155 1HB ASP 20 HB2 ASP 20 -3.168 -21.000 -21.000 156 2HB ASP 20 HB1 ASP 20 -3.448 -20.097 -20.097 157 H TYR 21 HN TYR 21 -1.009 -19.269 -19.269 158 HA TYR 21 HA TYR 21 -2.013 -19.496 -19.496 159 1HB TYR 21 HB2 TYR 21 -0.032 -17.717 -17.717 160 2HB TYR 21 HB1 TYR 21 -0.091 -17.673 -17.673 161 HD1 TYR 21 HD1 TYR 21 -2.082 -17.170 -17.170 162 HD2 TYR 21 HD2 TYR 21 -1.937 -16.692 -16.692 163 HE1 TYR 21 HE1 TYR 21 -4.104 -15.736 -15.736 164 HE2 TYR 21 HE2 TYR 21 -3.958 -15.257 -15.257 165 HH TYR 21 HH TYR 21 -5.613 -14.604 -14.604 166 H VAL 22 HN VAL 22 1.496 -19.625 -19.625 167 HA VAL 22 HA VAL 22 2.119 -20.750 -20.750 168 HB VAL 22 HB VAL 22 3.650 -19.548 -19.548 169 1HG1 VAL 22 HG12 VAL 22 3.468 -21.676 -21.676 170 2HG1 VAL 22 HG11 VAL 22 4.546 -22.414 -22.414 171 3HG1 VAL 22 HG13 VAL 22 5.079 -21.003 -21.003 172 1HG2 VAL 22 HG22 VAL 22 4.236 -20.004 -20.004 173 2HG2 VAL 22 HG21 VAL 22 5.601 -20.282 -20.282 174 3HG2 VAL 22 HG23 VAL 22 4.684 -21.647 -21.647 175 H ALA 23 HN ALA 23 0.931 -22.197 -22.197 176 HA ALA 23 HA ALA 23 1.967 -24.811 -24.811 177 1HB ALA 23 HB3 ALA 23 -0.752 -23.777 -23.777 178 2HB ALA 23 HB2 ALA 23 -0.351 -25.491 -25.491 179 3HB ALA 23 HB1 ALA 23 0.553 -24.335 -24.335 180 H LYS 24 HN LYS 24 -0.303 -23.051 -23.051 181 HA LYS 24 HA LYS 24 -1.516 -25.177 -25.177 182 1HB LYS 24 HB2 LYS 24 -0.961 -22.282 -22.282 183 2HB LYS 24 HB1 LYS 24 -1.725 -23.346 -23.346 184 1HG LYS 24 HG2 LYS 24 -2.836 -23.241 -23.241 185 2HG LYS 24 HG1 LYS 24 -3.215 -21.933 -21.933 186 1HD LYS 24 HD2 LYS 24 -4.337 -23.359 -23.359 187 2HD LYS 24 HD1 LYS 24 -3.568 -24.806 -24.806 188 1HE LYS 24 HE2 LYS 24 -4.899 -24.744 -24.744 189 2HE LYS 24 HE1 LYS 24 -5.438 -23.097 -23.097 190 1HZ LYS 24 HZ3 LYS 24 -6.016 -25.311 -25.311 191 2HZ LYS 24 HZ2 LYS 24 -7.026 -24.985 -24.985 192 3HZ LYS 24 HZ1 LYS 24 -6.789 -23.806 -23.806 193 H GLY 25 HN GLY 25 0.621 -22.979 -22.979 194 1HA GLY 25 HA2 GLY 25 2.592 -25.032 -25.032 195 2HA GLY 25 HA1 GLY 25 1.533 -24.702 -24.702 196 H GLU 26 HN GLU 26 4.044 -23.426 -23.426 197 HA GLU 26 HA GLU 26 5.240 -21.385 -21.385 198 1HB GLU 26 HB2 GLU 26 6.372 -21.309 -21.309 199 2HB GLU 26 HB1 GLU 26 6.718 -22.638 -22.638 200 1HG GLU 26 HG2 GLU 26 5.027 -24.029 -24.029 201 2HG GLU 26 HG1 GLU 26 4.629 -22.689 -22.689 202 H ASP 27 HN ASP 27 4.117 -19.553 -19.553 203 HA ASP 27 HA ASP 27 3.409 -18.095 -18.095 204 1HB ASP 27 HB2 ASP 27 1.459 -18.535 -18.535 205 2HB ASP 27 HB1 ASP 27 1.195 -17.436 -17.436 206 H VAL 28 HN VAL 28 5.613 -17.689 -17.689 207 HA VAL 28 HA VAL 28 4.979 -15.570 -15.570 208 HB VAL 28 HB VAL 28 7.394 -15.789 -15.789 209 1HG1 VAL 28 HG11 VAL 28 5.746 -18.317 -18.317 210 2HG1 VAL 28 HG13 VAL 28 7.092 -18.040 -18.040 211 3HG1 VAL 28 HG12 VAL 28 5.618 -17.083 -17.083 212 1HG2 VAL 28 HG23 VAL 28 7.882 -16.766 -16.766 213 2HG2 VAL 28 HG22 VAL 28 8.778 -17.368 -17.368 214 3HG2 VAL 28 HG21 VAL 28 7.429 -18.300 -18.300 215 H ASN 29 HN ASN 29 4.301 -14.221 -14.221 216 HA ASN 29 HA ASN 29 6.223 -12.195 -12.195 217 1HB ASN 29 HB2 ASN 29 6.199 -12.602 -12.602 218 2HB ASN 29 HB1 ASN 29 7.276 -13.608 -13.608 219 1HD2 ASN 29 HD21 ASN 29 6.300 -15.805 -15.805 220 2HD2 ASN 29 HD22 ASN 29 5.239 -16.550 -16.550 221 H ARG 30 HN ARG 30 3.503 -12.542 -12.542 222 HA ARG 30 HA ARG 30 1.920 -11.224 -11.224 223 1HB ARG 30 HB2 ARG 30 0.947 -12.588 -12.588 224 2HB ARG 30 HB1 ARG 30 -0.065 -11.926 -11.926 225 1HG ARG 30 HG2 ARG 30 1.305 -13.524 -13.524 226 2HG ARG 30 HG1 ARG 30 1.716 -14.359 -14.359 227 1HD ARG 30 HD2 ARG 30 -0.659 -14.698 -14.698 228 2HD ARG 30 HD1 ARG 30 -1.116 -13.760 -13.760 229 HE ARG 30 HE ARG 30 0.567 -15.847 -15.847 230 1HH1 ARG 30 HH21 ARG 30 -2.486 -15.420 -15.420 231 2HH1 ARG 30 HH22 ARG 30 -3.121 -16.937 -16.937 232 1HH2 ARG 30 HH11 ARG 30 -0.253 -17.820 -17.820 233 2HH2 ARG 30 HH12 ARG 30 -1.863 -18.286 -18.286 234 H THR 31 HN THR 31 2.137 -9.019 -9.019 235 HA THR 31 HA THR 31 2.735 -7.698 -7.698 236 HB THR 31 HB THR 31 2.339 -5.704 -5.704 237 HG1 THR 31 HG1 THR 31 0.085 -7.040 -7.040 238 1HG2 THR 31 HG21 THR 31 3.695 -7.454 -7.454 239 2HG2 THR 31 HG23 THR 31 2.273 -7.440 -7.440 240 3HG2 THR 31 HG22 THR 31 3.174 -5.951 -5.951 241 H LEU 32 HN LEU 32 1.464 -8.012 -8.012 242 HA LEU 32 HA LEU 32 -1.337 -8.583 -8.583 243 1HB LEU 32 HB2 LEU 32 -1.502 -8.054 -8.054 244 2HB LEU 32 HB1 LEU 32 -0.407 -9.347 -9.347 245 HG LEU 32 HG LEU 32 0.522 -7.935 -7.935 246 1HD1 LEU 32 HD11 LEU 32 1.941 -8.890 -8.890 247 2HD1 LEU 32 HD13 LEU 32 2.285 -7.172 -7.172 248 3HD1 LEU 32 HD12 LEU 32 2.668 -7.950 -7.950 249 1HD2 LEU 32 HD22 LEU 32 -0.682 -5.805 -5.805 250 2HD2 LEU 32 HD21 LEU 32 0.669 -5.670 -5.670 251 3HD2 LEU 32 HD23 LEU 32 0.957 -5.573 -5.573 252 H GLU 33 HN GLU 33 0.517 -5.651 -5.651 253 HA GLU 33 HA GLU 33 -1.874 -3.959 -3.959 254 1HB GLU 33 HB2 GLU 33 0.390 -3.382 -3.382 255 2HB GLU 33 HB1 GLU 33 0.955 -3.086 -3.086 256 1HG GLU 33 HG2 GLU 33 0.253 -0.966 -0.966 257 2HG GLU 33 HG1 GLU 33 -1.005 -1.481 -1.481 258 H GLY 34 HN GLY 34 0.769 -3.860 -3.860 259 1HA GLY 34 HA2 GLY 34 -0.812 -4.412 -4.412 260 2HA GLY 34 HA1 GLY 34 -0.888 -2.673 -2.673 261 H GLY 35 HN GLY 35 1.778 -2.441 -2.441 262 1HA GLY 35 HA2 GLY 35 3.468 -3.186 -3.186 263 2HA GLY 35 HA1 GLY 35 3.476 -1.537 -1.537 264 H ARG 36 HN ARG 36 3.069 -4.110 -4.110 265 HA ARG 36 HA ARG 36 5.905 -3.806 -3.806 266 1HB ARG 36 HB2 ARG 36 3.555 -4.477 -4.477 267 2HB ARG 36 HB1 ARG 36 5.134 -3.841 -3.841 268 1HG ARG 36 HG2 ARG 36 3.204 -2.247 -2.247 269 2HG ARG 36 HG1 ARG 36 3.175 -2.170 -2.170 270 1HD ARG 36 HD2 ARG 36 5.564 -1.494 -1.494 271 2HD ARG 36 HD1 ARG 36 5.538 -1.495 -1.495 272 HE ARG 36 HE ARG 36 3.443 0.165 0.165 273 1HH1 ARG 36 HH21 ARG 36 6.741 -0.044 -0.044 274 2HH1 ARG 36 HH22 ARG 36 6.922 1.665 1.665 275 1HH2 ARG 36 HH11 ARG 36 3.653 2.375 2.375 276 2HH2 ARG 36 HH12 ARG 36 5.164 3.045 3.045 277 H LYS 37 HN LYS 37 6.078 -5.862 -5.862 278 HA LYS 37 HA LYS 37 5.054 -8.306 -8.306 279 1HB LYS 37 HB2 LYS 37 7.657 -9.029 -9.029 280 2HB LYS 37 HB1 LYS 37 7.141 -8.755 -8.755 281 1HG LYS 37 HG2 LYS 37 9.072 -7.386 -7.386 282 2HG LYS 37 HG1 LYS 37 7.683 -6.306 -6.306 283 1HD LYS 37 HD2 LYS 37 7.546 -6.629 -6.629 284 2HD LYS 37 HD1 LYS 37 9.176 -7.280 -7.280 285 1HE LYS 37 HE2 LYS 37 8.222 -4.474 -4.474 286 2HE LYS 37 HE1 LYS 37 9.748 -5.059 -5.059 287 1HZ LYS 37 HZ2 LYS 37 9.014 -5.105 -5.105 288 2HZ LYS 37 HZ1 LYS 37 10.028 -3.957 -3.957 289 3HZ LYS 37 HZ3 LYS 37 10.501 -5.585 -5.585 290 HA PRO 38 HA PRO 38 4.288 -9.618 -9.618 291 1HB PRO 38 HB2 PRO 38 4.938 -12.347 -12.347 292 2HB PRO 38 HB1 PRO 38 3.421 -11.641 -11.641 293 1HG PRO 38 HG2 PRO 38 5.723 -12.665 -12.665 294 2HG PRO 38 HG1 PRO 38 4.039 -12.446 -12.446 295 1HD PRO 38 HD2 PRO 38 6.208 -10.760 -10.760 296 2HD PRO 38 HD1 PRO 38 4.485 -10.398 -10.398 297 H LEU 39 HN LEU 39 7.275 -8.865 -8.865 298 HA LEU 39 HA LEU 39 8.512 -10.357 -10.357 299 1HB LEU 39 HB2 LEU 39 9.481 -10.489 -10.489 300 2HB LEU 39 HB1 LEU 39 9.947 -8.827 -8.827 301 HG LEU 39 HG LEU 39 11.664 -9.347 -9.347 302 1HD1 LEU 39 HD12 LEU 39 10.197 -11.800 -11.800 303 2HD1 LEU 39 HD11 LEU 39 11.814 -11.340 -11.340 304 3HD1 LEU 39 HD13 LEU 39 10.451 -10.300 -10.300 305 1HD2 LEU 39 HD23 LEU 39 11.730 -10.769 -10.769 306 2HD2 LEU 39 HD22 LEU 39 12.899 -11.097 -11.097 307 3HD2 LEU 39 HD21 LEU 39 11.481 -12.129 -12.129 308 H HIS 40 HN HIS 40 7.812 -7.175 -7.175 309 HA HIS 40 HA HIS 40 9.490 -5.687 -5.687 310 1HB HIS 40 HB2 HIS 40 8.581 -4.669 -4.669 311 2HB HIS 40 HB1 HIS 40 6.947 -4.853 -4.853 312 HD1 HIS 40 HD1 HIS 40 7.141 -3.839 -3.839 313 HD2 HIS 40 HD2 HIS 40 9.129 -1.979 -1.979 314 HE1 HIS 40 HE1 HIS 40 7.584 -1.455 -1.455 315 H TYR 41 HN TYR 41 6.168 -6.838 -6.838 316 HA TYR 41 HA TYR 41 5.527 -5.553 -5.553 317 1HB TYR 41 HB2 TYR 41 4.196 -7.963 -7.963 318 2HB TYR 41 HB1 TYR 41 3.482 -6.815 -6.815 319 HD1 TYR 41 HD1 TYR 41 4.876 -7.212 -7.212 320 HD2 TYR 41 HD2 TYR 41 2.585 -4.732 -4.732 321 HE1 TYR 41 HE1 TYR 41 4.200 -5.781 -5.781 322 HE2 TYR 41 HE2 TYR 41 1.921 -3.299 -3.299 323 HH TYR 41 HH TYR 41 2.861 -2.737 -2.737 324 H ALA 42 HN ALA 42 6.691 -8.719 -8.719 325 HA ALA 42 HA ALA 42 6.643 -9.929 -9.929 326 1HB ALA 42 HB1 ALA 42 6.883 -11.050 -11.050 327 2HB ALA 42 HB3 ALA 42 8.592 -10.668 -10.668 328 3HB ALA 42 HB2 ALA 42 7.811 -11.727 -11.727 329 H ALA 43 HN ALA 43 9.343 -8.824 -8.824 330 HA ALA 43 HA ALA 43 11.391 -8.754 -8.754 331 1HB ALA 43 HB3 ALA 43 10.736 -6.755 -6.755 332 2HB ALA 43 HB2 ALA 43 12.306 -6.891 -6.891 333 3HB ALA 43 HB1 ALA 43 11.693 -8.223 -8.223 334 H ASP 44 HN ASP 44 9.416 -5.916 -5.916 335 HA ASP 44 HA ASP 44 10.276 -4.245 -4.245 336 1HB ASP 44 HB2 ASP 44 8.984 -3.578 -3.578 337 2HB ASP 44 HB1 ASP 44 7.532 -4.179 -4.179 338 H CYS 45 HN CYS 45 7.692 -6.678 -6.678 339 HA CYS 45 HA CYS 45 7.605 -6.436 -6.436 340 1HB CYS 45 HB2 CYS 45 5.301 -5.589 -5.589 341 2HB CYS 45 HB1 CYS 45 5.052 -6.103 -6.103 342 HG CYS 45 HG CYS 45 6.316 -4.051 -4.051 343 H GLY 46 HN GLY 46 8.418 -8.624 -8.624 344 1HA GLY 46 HA2 GLY 46 6.055 -10.468 -10.468 345 2HA GLY 46 HA1 GLY 46 7.629 -10.718 -10.718 346 H GLN 47 HN GLN 47 7.527 -9.617 -9.617 347 HA GLN 47 HA GLN 47 8.408 -10.697 -10.697 348 1HB GLN 47 HB2 GLN 47 6.675 -12.819 -12.819 349 2HB GLN 47 HB1 GLN 47 7.551 -13.129 -13.129 350 1HG GLN 47 HG2 GLN 47 5.169 -12.303 -12.303 351 2HG GLN 47 HG1 GLN 47 6.388 -11.391 -11.391 352 1HE2 GLN 47 HE21 GLN 47 5.066 -11.320 -11.320 353 2HE2 GLN 47 HE22 GLN 47 4.848 -9.637 -9.637 354 H LEU 48 HN LEU 48 9.595 -10.930 -10.930 355 HA LEU 48 HA LEU 48 11.500 -11.750 -11.750 356 1HB LEU 48 HB2 LEU 48 12.068 -12.233 -12.233 357 2HB LEU 48 HB1 LEU 48 13.229 -12.632 -12.632 358 HG LEU 48 HG LEU 48 13.921 -10.483 -10.483 359 1HD1 LEU 48 HD11 LEU 48 11.039 -9.651 -9.651 360 2HD1 LEU 48 HD13 LEU 48 12.382 -8.531 -8.531 361 3HD1 LEU 48 HD12 LEU 48 12.298 -9.777 -9.777 362 1HD2 LEU 48 HD23 LEU 48 13.411 -10.555 -10.555 363 2HD2 LEU 48 HD22 LEU 48 13.296 -8.926 -8.926 364 3HD2 LEU 48 HD21 LEU 48 11.830 -9.851 -9.851 365 H GLU 49 HN GLU 49 9.229 -13.696 -13.696 366 HA GLU 49 HA GLU 49 10.665 -16.218 -16.218 367 1HB GLU 49 HB2 GLU 49 8.277 -17.149 -17.149 368 2HB GLU 49 HB1 GLU 49 9.359 -16.668 -16.668 369 1HG GLU 49 HG2 GLU 49 8.291 -14.483 -14.483 370 2HG GLU 49 HG1 GLU 49 7.255 -14.879 -14.879 371 H ILE 50 HN ILE 50 8.050 -14.080 -14.080 372 HA ILE 50 HA ILE 50 7.038 -15.595 -15.595 373 HB ILE 50 HB ILE 50 6.998 -12.618 -12.618 374 1HG1 ILE 50 HG12 ILE 50 5.784 -14.748 -14.748 375 2HG1 ILE 50 HG11 ILE 50 5.848 -13.037 -13.037 376 1HG2 ILE 50 HG23 ILE 50 6.343 -13.585 -13.585 377 2HG2 ILE 50 HG22 ILE 50 4.997 -14.345 -14.345 378 3HG2 ILE 50 HG21 ILE 50 5.135 -12.596 -12.596 379 1HD1 ILE 50 HD12 ILE 50 3.775 -14.126 -14.126 380 2HD1 ILE 50 HD11 ILE 50 3.529 -14.243 -14.243 381 3HD1 ILE 50 HD13 ILE 50 3.725 -12.670 -12.670 382 H LEU 51 HN LEU 51 9.653 -13.177 -13.177 383 HA LEU 51 HA LEU 51 9.773 -12.964 -12.964 384 1HB LEU 51 HB2 LEU 51 12.444 -12.666 -12.666 385 2HB LEU 51 HB1 LEU 51 11.272 -11.374 -11.374 386 HG LEU 51 HG LEU 51 12.491 -11.207 -11.207 387 1HD1 LEU 51 HD11 LEU 51 9.704 -11.226 -11.226 388 2HD1 LEU 51 HD13 LEU 51 10.049 -12.080 -12.080 389 3HD1 LEU 51 HD12 LEU 51 10.679 -10.457 -10.457 390 1HD2 LEU 51 HD21 LEU 51 12.809 -13.827 -13.827 391 2HD2 LEU 51 HD23 LEU 51 12.815 -12.912 -12.912 392 3HD2 LEU 51 HD22 LEU 51 11.361 -13.766 -13.766 393 H GLU 52 HN GLU 52 11.752 -15.157 -15.157 394 HA GLU 52 HA GLU 52 13.026 -16.503 -16.503 395 1HB GLU 52 HB2 GLU 52 11.856 -17.994 -17.994 396 2HB GLU 52 HB1 GLU 52 13.261 -18.415 -18.415 397 1HG GLU 52 HG2 GLU 52 14.361 -17.462 -17.462 398 2HG GLU 52 HG1 GLU 52 14.053 -15.983 -15.983 399 H PHE 53 HN PHE 53 9.717 -16.908 -16.908 400 HA PHE 53 HA PHE 53 9.064 -19.299 -19.299 401 1HB PHE 53 HB2 PHE 53 7.525 -18.475 -18.475 402 2HB PHE 53 HB1 PHE 53 7.411 -16.916 -16.916 403 HD1 PHE 53 HD1 PHE 53 6.632 -20.512 -20.512 404 HD2 PHE 53 HD2 PHE 53 5.801 -16.483 -16.483 405 HE1 PHE 53 HE1 PHE 53 4.687 -21.292 -21.292 406 HE2 PHE 53 HE2 PHE 53 3.856 -17.285 -17.285 407 HZ PHE 53 HZ PHE 53 3.287 -19.660 -19.660 408 H LEU 54 HN LEU 54 7.534 -16.387 -16.387 409 HA LEU 54 HA LEU 54 7.250 -17.533 -17.533 410 1HB LEU 54 HB2 LEU 54 6.561 -15.401 -15.401 411 2HB LEU 54 HB1 LEU 54 5.978 -15.553 -15.553 412 HG LEU 54 HG LEU 54 6.803 -13.353 -13.353 413 1HD1 LEU 54 HD13 LEU 54 7.534 -14.698 -14.698 414 2HD1 LEU 54 HD12 LEU 54 9.100 -14.861 -14.861 415 3HD1 LEU 54 HD11 LEU 54 8.494 -13.276 -13.276 416 1HD2 LEU 54 HD21 LEU 54 8.329 -14.106 -14.106 417 2HD2 LEU 54 HD23 LEU 54 8.569 -12.606 -12.606 418 3HD2 LEU 54 HD22 LEU 54 9.574 -14.006 -14.006 419 H LEU 55 HN LEU 55 10.099 -16.313 -16.313 420 HA LEU 55 HA LEU 55 11.439 -15.767 -15.767 421 1HB LEU 55 HB2 LEU 55 11.769 -14.613 -14.613 422 2HB LEU 55 HB1 LEU 55 12.834 -15.986 -15.986 423 HG LEU 55 HG LEU 55 13.073 -14.040 -14.040 424 1HD1 LEU 55 HD11 LEU 55 14.593 -14.398 -14.398 425 2HD1 LEU 55 HD13 LEU 55 15.247 -13.502 -13.502 426 3HD1 LEU 55 HD12 LEU 55 13.771 -12.947 -12.947 427 1HD2 LEU 55 HD21 LEU 55 14.497 -16.596 -16.596 428 2HD2 LEU 55 HD23 LEU 55 14.011 -15.994 -15.994 429 3HD2 LEU 55 HD22 LEU 55 15.410 -15.303 -15.303 430 H LEU 56 HN LEU 56 11.316 -18.278 -18.278 431 HA LEU 56 HA LEU 56 13.498 -19.827 -19.827 432 1HB LEU 56 HB2 LEU 56 12.450 -20.194 -20.194 433 2HB LEU 56 HB1 LEU 56 10.923 -20.612 -20.612 434 HG LEU 56 HG LEU 56 11.866 -22.646 -22.646 435 1HD1 LEU 56 HD11 LEU 56 14.466 -21.445 -21.445 436 2HD1 LEU 56 HD13 LEU 56 14.303 -23.179 -23.179 437 3HD1 LEU 56 HD12 LEU 56 14.083 -22.053 -22.053 438 1HD2 LEU 56 HD23 LEU 56 11.156 -22.503 -22.503 439 2HD2 LEU 56 HD22 LEU 56 12.328 -23.779 -23.779 440 3HD2 LEU 56 HD21 LEU 56 12.853 -22.271 -22.271 441 H LYS 57 HN LYS 57 10.156 -19.738 -19.738 442 HA LYS 57 HA LYS 57 10.469 -21.998 -21.998 443 1HB LYS 57 HB2 LYS 57 8.341 -20.000 -20.000 444 2HB LYS 57 HB1 LYS 57 8.346 -20.584 -20.584 445 1HG LYS 57 HG2 LYS 57 6.954 -22.158 -22.158 446 2HG LYS 57 HG1 LYS 57 8.487 -22.979 -22.979 447 1HD LYS 57 HD2 LYS 57 7.468 -21.168 -21.168 448 2HD LYS 57 HD1 LYS 57 6.851 -22.807 -22.807 449 1HE LYS 57 HE2 LYS 57 9.284 -23.594 -23.594 450 2HE LYS 57 HE1 LYS 57 9.705 -21.961 -21.961 451 1HZ LYS 57 HZ2 LYS 57 7.903 -22.341 -22.341 452 2HZ LYS 57 HZ1 LYS 57 8.131 -23.989 -23.989 453 3HZ LYS 57 HZ3 LYS 57 9.430 -23.056 -23.056 454 H GLY 58 HN GLY 58 9.283 -19.087 -19.087 455 1HA GLY 58 HA2 GLY 58 11.397 -19.226 -19.226 456 2HA GLY 58 HA1 GLY 58 10.124 -17.999 -17.999 457 H ALA 59 HN ALA 59 11.258 -16.047 -16.047 458 HA ALA 59 HA ALA 59 12.435 -15.345 -15.345 459 1HB ALA 59 HB3 ALA 59 14.457 -15.921 -15.921 460 2HB ALA 59 HB2 ALA 59 14.779 -15.107 -15.107 461 3HB ALA 59 HB1 ALA 59 14.288 -16.785 -16.785 462 H ASP 60 HN ASP 60 11.142 -13.609 -13.609 463 HA ASP 60 HA ASP 60 11.537 -11.791 -11.791 464 1HB ASP 60 HB2 ASP 60 9.355 -11.820 -11.820 465 2HB ASP 60 HB1 ASP 60 10.092 -11.499 -11.499 466 H ILE 61 HN ILE 61 13.410 -12.734 -12.734 467 HA ILE 61 HA ILE 61 14.406 -10.604 -10.604 468 HB ILE 61 HB ILE 61 15.019 -13.082 -13.082 469 1HG1 ILE 61 HG12 ILE 61 17.118 -10.905 -10.905 470 2HG1 ILE 61 HG11 ILE 61 16.217 -11.610 -11.610 471 1HG2 ILE 61 HG23 ILE 61 15.594 -13.037 -13.037 472 2HG2 ILE 61 HG22 ILE 61 17.114 -12.285 -12.285 473 3HG2 ILE 61 HG21 ILE 61 16.714 -13.901 -13.901 474 1HD1 ILE 61 HD12 ILE 61 17.404 -13.859 -13.859 475 2HD1 ILE 61 HD11 ILE 61 18.628 -12.638 -12.638 476 3HD1 ILE 61 HD13 ILE 61 18.062 -12.905 -12.905 477 H ASN 62 HN ASN 62 14.867 -11.332 -11.332 478 HA ASN 62 HA ASN 62 16.614 -8.935 -8.935 479 1HB ASN 62 HB2 ASN 62 17.752 -10.270 -10.270 480 2HB ASN 62 HB1 ASN 62 18.099 -10.775 -10.775 481 1HD2 ASN 62 HD21 ASN 62 14.951 -11.738 -11.738 482 2HD2 ASN 62 HD22 ASN 62 15.244 -13.324 -13.324 483 H ALA 63 HN ALA 63 14.455 -11.168 -11.168 484 HA ALA 63 HA ALA 63 13.915 -10.366 -10.366 485 1HB ALA 63 HB3 ALA 63 12.298 -11.540 -11.540 486 2HB ALA 63 HB2 ALA 63 11.439 -10.015 -10.015 487 3HB ALA 63 HB1 ALA 63 11.730 -11.003 -11.003 488 HA PRO 64 HA PRO 64 11.487 -6.089 -6.089 489 1HB PRO 64 HB2 PRO 64 14.134 -5.478 -5.478 490 2HB PRO 64 HB1 PRO 64 12.505 -4.951 -4.951 491 1HG PRO 64 HG2 PRO 64 13.911 -7.219 -7.219 492 2HG PRO 64 HG1 PRO 64 12.214 -6.788 -6.788 493 1HD PRO 64 HD2 PRO 64 12.991 -9.088 -9.088 494 2HD PRO 64 HD1 PRO 64 11.412 -8.335 -8.335 495 H ASP 65 HN ASP 65 11.412 -4.742 -4.742 496 HA ASP 65 HA ASP 65 13.891 -4.100 -4.100 497 1HB ASP 65 HB2 ASP 65 11.279 -5.198 -5.198 498 2HB ASP 65 HB1 ASP 65 12.348 -4.236 -4.236 499 H LYS 66 HN LYS 66 10.410 -3.362 -3.362 500 HA LYS 66 HA LYS 66 10.841 -0.583 -0.583 501 1HB LYS 66 HB2 LYS 66 8.791 -2.098 -2.098 502 2HB LYS 66 HB1 LYS 66 8.329 -1.743 -1.743 503 1HG LYS 66 HG2 LYS 66 7.266 -0.037 -0.037 504 2HG LYS 66 HG1 LYS 66 8.770 0.758 0.758 505 1HD LYS 66 HD2 LYS 66 9.650 0.219 0.219 506 2HD LYS 66 HD1 LYS 66 8.136 -0.586 -0.586 507 1HE LYS 66 HE2 LYS 66 8.291 1.777 1.777 508 2HE LYS 66 HE1 LYS 66 6.908 1.491 1.491 509 1HZ LYS 66 HZ3 LYS 66 9.483 2.488 2.488 510 2HZ LYS 66 HZ2 LYS 66 8.305 3.547 3.547 511 3HZ LYS 66 HZ1 LYS 66 7.950 2.562 2.562 512 H HIS 67 HN HIS 67 10.832 -2.472 -2.472 513 HA HIS 67 HA HIS 67 10.227 -0.299 -0.299 514 1HB HIS 67 HB2 HIS 67 11.651 -2.855 -2.855 515 2HB HIS 67 HB1 HIS 67 10.503 -1.939 -1.939 516 HD1 HIS 67 HD1 HIS 67 10.493 -5.063 -5.063 517 HD2 HIS 67 HD2 HIS 67 7.966 -1.824 -1.824 518 HE1 HIS 67 HE1 HIS 67 8.340 -6.023 -6.023 519 H HIS 68 HN HIS 68 12.771 -1.110 -1.110 520 HA HIS 68 HA HIS 68 15.068 -0.637 -0.637 521 1HB HIS 68 HB2 HIS 68 13.788 1.772 1.772 522 2HB HIS 68 HB1 HIS 68 15.506 1.720 1.720 523 HD1 HIS 68 HD1 HIS 68 12.407 0.609 0.609 524 HD2 HIS 68 HD2 HIS 68 15.791 2.996 2.996 525 HE1 HIS 68 HE1 HIS 68 12.350 1.461 1.461 526 H ILE 69 HN ILE 69 13.838 -1.984 -1.984 527 HA ILE 69 HA ILE 69 16.329 -1.964 -1.964 528 HB ILE 69 HB ILE 69 14.335 -0.108 -0.108 529 1HG1 ILE 69 HG12 ILE 69 16.775 0.049 0.049 530 2HG1 ILE 69 HG11 ILE 69 15.909 0.329 0.329 531 1HG2 ILE 69 HG22 ILE 69 14.519 -2.364 -2.364 532 2HG2 ILE 69 HG21 ILE 69 13.790 -0.797 -0.797 533 3HG2 ILE 69 HG23 ILE 69 13.062 -1.912 -1.912 534 1HD1 ILE 69 HD13 ILE 69 16.281 -2.304 -2.304 535 2HD1 ILE 69 HD12 ILE 69 17.683 -1.921 -1.921 536 3HD1 ILE 69 HD11 ILE 69 17.423 -1.124 -1.124 537 H THR 70 HN THR 70 16.439 -3.434 -3.434 538 HA THR 70 HA THR 70 14.609 -5.716 -5.716 539 HB THR 70 HB THR 70 16.686 -6.572 -6.572 540 HG1 THR 70 HG1 THR 70 16.286 -7.864 -7.864 541 1HG2 THR 70 HG21 THR 70 17.774 -4.504 -4.504 542 2HG2 THR 70 HG23 THR 70 18.804 -5.670 -5.670 543 3HG2 THR 70 HG22 THR 70 17.896 -4.491 -4.491 544 HA PRO 71 HA PRO 71 13.401 -5.023 -5.023 545 1HB PRO 71 HB2 PRO 71 13.347 -7.914 -7.914 546 2HB PRO 71 HB1 PRO 71 11.984 -6.789 -6.789 547 1HG PRO 71 HG2 PRO 71 12.468 -8.648 -8.648 548 2HG PRO 71 HG1 PRO 71 11.936 -7.010 -7.010 549 1HD PRO 71 HD2 PRO 71 14.703 -8.121 -8.121 550 2HD PRO 71 HD1 PRO 71 13.819 -7.210 -7.210 551 H LEU 72 HN LEU 72 16.482 -6.646 -6.646 552 HA LEU 72 HA LEU 72 16.774 -7.067 -7.067 553 1HB LEU 72 HB2 LEU 72 19.265 -6.093 -6.093 554 2HB LEU 72 HB1 LEU 72 18.958 -7.579 -7.579 555 HG LEU 72 HG LEU 72 19.437 -8.355 -8.355 556 1HD1 LEU 72 HD13 LEU 72 16.797 -8.700 -8.700 557 2HD1 LEU 72 HD12 LEU 72 16.648 -8.217 -8.217 558 3HD1 LEU 72 HD11 LEU 72 17.612 -9.593 -9.593 559 1HD2 LEU 72 HD23 LEU 72 19.583 -6.169 -6.169 560 2HD2 LEU 72 HD22 LEU 72 18.712 -7.297 -7.297 561 3HD2 LEU 72 HD21 LEU 72 17.829 -6.069 -6.069 562 H LEU 73 HN LEU 73 17.156 -4.160 -4.160 563 HA LEU 73 HA LEU 73 18.096 -2.587 -2.587 564 1HB LEU 73 HB2 LEU 73 16.767 -1.570 -1.570 565 2HB LEU 73 HB1 LEU 73 17.764 -0.678 -0.678 566 HG LEU 73 HG LEU 73 19.549 -2.534 -2.534 567 1HD1 LEU 73 HD13 LEU 73 17.468 -3.242 -3.242 568 2HD1 LEU 73 HD12 LEU 73 18.942 -2.815 -2.815 569 3HD1 LEU 73 HD11 LEU 73 18.963 -4.061 -4.061 570 1HD2 LEU 73 HD23 LEU 73 18.861 -0.154 -0.154 571 2HD2 LEU 73 HD22 LEU 73 20.096 -0.339 -0.339 572 3HD2 LEU 73 HD21 LEU 73 20.283 -1.132 -1.132 573 H SER 74 HN SER 74 15.030 -3.672 -3.672 574 HA SER 74 HA SER 74 13.408 -1.685 -1.685 575 1HB SER 74 HB2 SER 74 12.478 -3.421 -3.421 576 2HB SER 74 HB1 SER 74 12.833 -4.642 -4.642 577 HG SER 74 HG SER 74 10.700 -3.083 -3.083 578 H ALA 75 HN ALA 75 14.703 -4.708 -4.708 579 HA ALA 75 HA ALA 75 13.664 -4.128 -4.128 580 1HB ALA 75 HB1 ALA 75 15.819 -6.038 -6.038 581 2HB ALA 75 HB3 ALA 75 15.211 -5.939 -5.939 582 3HB ALA 75 HB2 ALA 75 14.132 -6.419 -6.419 583 H VAL 76 HN VAL 76 16.689 -3.357 -3.357 584 HA VAL 76 HA VAL 76 18.411 -2.733 -2.733 585 HB VAL 76 HB VAL 76 17.873 -1.349 -1.349 586 1HG1 VAL 76 HG13 VAL 76 19.107 0.156 0.156 587 2HG1 VAL 76 HG12 VAL 76 20.469 -0.880 -0.880 588 3HG1 VAL 76 HG11 VAL 76 19.678 0.072 0.072 589 1HG2 VAL 76 HG23 VAL 76 18.737 -3.621 -3.621 590 2HG2 VAL 76 HG22 VAL 76 19.928 -2.487 -2.487 591 3HG2 VAL 76 HG21 VAL 76 20.079 -3.116 -3.116 592 H TYR 77 HN TYR 77 16.296 -0.276 -0.276 593 HA TYR 77 HA TYR 77 16.559 1.421 1.421 594 1HB TYR 77 HB2 TYR 77 14.288 1.921 1.921 595 2HB TYR 77 HB1 TYR 77 15.487 3.045 3.045 596 HD1 TYR 77 HD2 TYR 77 17.704 3.251 3.251 597 HD2 TYR 77 HD1 TYR 77 14.690 0.598 0.598 598 HE1 TYR 77 HE2 TYR 77 18.953 3.043 3.043 599 HE2 TYR 77 HE1 TYR 77 15.943 0.402 0.402 600 HH TYR 77 HH TYR 77 19.158 1.468 1.468 601 H GLU 78 HN GLU 78 15.672 -1.014 -1.014 602 HA GLU 78 HA GLU 78 12.835 -0.396 -0.396 603 1HB GLU 78 HB2 GLU 78 13.296 -2.367 -2.367 604 2HB GLU 78 HB1 GLU 78 13.840 -3.225 -3.225 605 1HG GLU 78 HG2 GLU 78 11.582 -2.426 -2.426 606 2HG GLU 78 HG1 GLU 78 11.080 -2.180 -2.180 607 H GLY 79 HN GLY 79 15.958 -1.780 -1.780 608 1HA GLY 79 HA2 GLY 79 16.940 -1.724 -1.724 609 2HA GLY 79 HA1 GLY 79 15.326 -1.505 -1.505 610 H HIS 80 HN HIS 80 14.798 -3.673 -3.673 611 HA HIS 80 HA HIS 80 14.734 -5.915 -5.915 612 1HB HIS 80 HB2 HIS 80 13.874 -5.433 -5.433 613 2HB HIS 80 HB1 HIS 80 14.046 -7.094 -7.094 614 HD1 HIS 80 HD1 HIS 80 11.957 -7.994 -7.994 615 HD2 HIS 80 HD2 HIS 80 12.218 -3.913 -3.913 616 HE1 HIS 80 HE1 HIS 80 9.926 -7.407 -7.407 617 H VAL 81 HN VAL 81 16.305 -5.360 -5.360 618 HA VAL 81 HA VAL 81 18.031 -6.668 -6.668 619 HB VAL 81 HB VAL 81 20.139 -6.041 -6.041 620 1HG1 VAL 81 HG12 VAL 81 19.264 -4.880 -4.880 621 2HG1 VAL 81 HG11 VAL 81 18.380 -3.802 -3.802 622 3HG1 VAL 81 HG13 VAL 81 20.139 -3.863 -3.863 623 1HG2 VAL 81 HG23 VAL 81 18.684 -5.604 -5.604 624 2HG2 VAL 81 HG22 VAL 81 19.681 -4.232 -4.232 625 3HG2 VAL 81 HG21 VAL 81 17.970 -4.251 -4.251 626 H SER 82 HN SER 82 16.433 -8.218 -8.218 627 HA SER 82 HA SER 82 18.441 -10.155 -10.155 628 1HB SER 82 HB2 SER 82 16.624 -9.929 -9.929 629 2HB SER 82 HB1 SER 82 15.446 -9.787 -9.787 630 HG SER 82 HG SER 82 15.736 -11.966 -11.966 631 H CYS 83 HN CYS 83 16.205 -9.357 -9.357 632 HA CYS 83 HA CYS 83 16.210 -11.996 -11.996 633 1HB CYS 83 HB2 CYS 83 14.726 -11.117 -11.117 634 2HB CYS 83 HB1 CYS 83 14.375 -10.146 -10.146 635 HG CYS 83 HG CYS 83 15.956 -9.114 -9.114 636 H VAL 84 HN VAL 84 17.703 -8.746 -8.746 637 HA VAL 84 HA VAL 84 19.062 -9.235 -9.235 638 HB VAL 84 HB VAL 84 20.923 -7.846 -7.846 639 1HG1 VAL 84 HG12 VAL 84 18.860 -6.853 -6.853 640 2HG1 VAL 84 HG11 VAL 84 18.187 -6.780 -6.780 641 3HG1 VAL 84 HG13 VAL 84 19.611 -5.825 -5.825 642 1HG2 VAL 84 HG21 VAL 84 19.557 -8.395 -8.395 643 2HG2 VAL 84 HG23 VAL 84 21.272 -8.355 -8.355 644 3HG2 VAL 84 HG22 VAL 84 20.367 -6.860 -6.860 645 H LYS 85 HN LYS 85 20.269 -10.030 -10.030 646 HA LYS 85 HA LYS 85 22.571 -11.434 -11.434 647 1HB LYS 85 HB2 LYS 85 20.977 -11.114 -11.114 648 2HB LYS 85 HB1 LYS 85 21.750 -12.688 -12.688 649 1HG LYS 85 HG2 LYS 85 23.928 -11.747 -11.747 650 2HG LYS 85 HG1 LYS 85 23.309 -10.163 -10.163 651 1HD LYS 85 HD2 LYS 85 22.222 -10.081 -10.081 652 2HD LYS 85 HD1 LYS 85 23.215 -11.485 -11.485 653 1HE LYS 85 HE2 LYS 85 25.207 -10.078 -10.078 654 2HE LYS 85 HE1 LYS 85 24.114 -8.701 -8.701 655 1HZ LYS 85 HZ3 LYS 85 24.412 -10.537 -10.537 656 2HZ LYS 85 HZ2 LYS 85 25.615 -9.373 -9.373 657 3HZ LYS 85 HZ1 LYS 85 24.011 -8.890 -8.890 658 H LEU 86 HN LEU 86 19.286 -12.625 -12.625 659 HA LEU 86 HA LEU 86 19.761 -15.368 -15.368 660 1HB LEU 86 HB2 LEU 86 17.744 -13.902 -13.902 661 2HB LEU 86 HB1 LEU 86 17.110 -14.069 -14.069 662 HG LEU 86 HG LEU 86 18.019 -16.403 -16.403 663 1HD1 LEU 86 HD12 LEU 86 15.311 -15.126 -15.126 664 2HD1 LEU 86 HD11 LEU 86 15.539 -16.711 -16.711 665 3HD1 LEU 86 HD13 LEU 86 16.178 -15.270 -15.270 666 1HD2 LEU 86 HD23 LEU 86 16.398 -16.177 -16.177 667 2HD2 LEU 86 HD22 LEU 86 17.984 -16.928 -16.928 668 3HD2 LEU 86 HD21 LEU 86 16.581 -17.664 -17.664 669 H LEU 87 HN LEU 87 19.250 -12.473 -12.473 670 HA LEU 87 HA LEU 87 18.290 -13.712 -13.712 671 1HB LEU 87 HB2 LEU 87 18.850 -11.085 -11.085 672 2HB LEU 87 HB1 LEU 87 19.393 -11.204 -11.204 673 HG LEU 87 HG LEU 87 16.653 -12.095 -12.095 674 1HD1 LEU 87 HD12 LEU 87 17.644 -9.393 -9.393 675 2HD1 LEU 87 HD11 LEU 87 15.956 -9.877 -9.877 676 3HD1 LEU 87 HD13 LEU 87 16.672 -9.779 -9.779 677 1HD2 LEU 87 HD21 LEU 87 17.854 -11.361 -11.361 678 2HD2 LEU 87 HD23 LEU 87 17.450 -12.990 -12.990 679 3HD2 LEU 87 HD22 LEU 87 16.174 -11.809 -11.809 680 H LEU 88 HN LEU 88 21.458 -11.982 -11.982 681 HA LEU 88 HA LEU 88 22.290 -12.993 -12.993 682 1HB LEU 88 HB2 LEU 88 24.552 -12.454 -12.454 683 2HB LEU 88 HB1 LEU 88 23.526 -11.237 -11.237 684 HG LEU 88 HG LEU 88 25.208 -11.800 -11.800 685 1HD1 LEU 88 HD11 LEU 88 22.864 -11.602 -11.602 686 2HD1 LEU 88 HD13 LEU 88 22.758 -13.357 -13.357 687 3HD1 LEU 88 HD12 LEU 88 23.899 -12.554 -12.554 688 1HD2 LEU 88 HD22 LEU 88 25.413 -14.252 -14.252 689 2HD2 LEU 88 HD21 LEU 88 26.087 -13.866 -13.866 690 3HD2 LEU 88 HD23 LEU 88 24.536 -14.688 -14.688 691 H SER 89 HN SER 89 21.734 -14.705 -14.705 692 HA SER 89 HA SER 89 23.573 -16.869 -16.869 693 1HB SER 89 HB2 SER 89 21.850 -16.418 -16.418 694 2HB SER 89 HB1 SER 89 20.698 -17.246 -17.246 695 HG SER 89 HG SER 89 21.667 -19.079 -19.079 696 H LYS 90 HN LYS 90 21.036 -15.671 -15.671 697 HA LYS 90 HA LYS 90 20.761 -18.172 -18.172 698 1HB LYS 90 HB2 LYS 90 18.984 -15.801 -15.801 699 2HB LYS 90 HB1 LYS 90 18.742 -16.745 -16.745 700 1HG LYS 90 HG2 LYS 90 18.439 -18.754 -18.754 701 2HG LYS 90 HG1 LYS 90 18.876 -17.951 -17.951 702 1HD LYS 90 HD2 LYS 90 16.563 -16.875 -16.875 703 2HD LYS 90 HD1 LYS 90 16.321 -18.332 -18.332 704 1HE LYS 90 HE2 LYS 90 17.479 -15.771 -15.771 705 2HE LYS 90 HE1 LYS 90 15.768 -16.188 -16.188 706 1HZ LYS 90 HZ3 LYS 90 17.092 -18.427 -18.427 707 2HZ LYS 90 HZ2 LYS 90 17.929 -17.139 -17.139 708 3HZ LYS 90 HZ1 LYS 90 16.255 -17.313 -17.313 709 H GLY 91 HN GLY 91 21.968 -14.933 -14.933 710 1HA GLY 91 HA2 GLY 91 23.713 -14.778 -14.778 711 2HA GLY 91 HA1 GLY 91 22.285 -14.957 -14.957 712 H ALA 92 HN ALA 92 21.006 -13.201 -13.201 713 HA ALA 92 HA ALA 92 20.602 -10.885 -10.885 714 1HB ALA 92 HB2 ALA 92 20.022 -11.877 -11.877 715 2HB ALA 92 HB1 ALA 92 20.590 -10.237 -10.237 716 3HB ALA 92 HB3 ALA 92 19.227 -10.574 -10.574 717 H ASP 93 HN ASP 93 23.605 -11.692 -11.692 718 HA ASP 93 HA ASP 93 25.537 -10.614 -10.614 719 1HB ASP 93 HB2 ASP 93 26.280 -8.909 -8.909 720 2HB ASP 93 HB1 ASP 93 25.439 -10.177 -10.177 721 H LYS 94 HN LYS 94 24.402 -7.417 -7.417 722 HA LYS 94 HA LYS 94 23.248 -6.894 -6.894 723 1HB LYS 94 HB2 LYS 94 24.956 -5.450 -5.450 724 2HB LYS 94 HB1 LYS 94 25.652 -7.039 -7.039 725 1HG LYS 94 HG2 LYS 94 25.925 -4.808 -4.808 726 2HG LYS 94 HG1 LYS 94 27.025 -4.974 -4.974 727 1HD LYS 94 HD2 LYS 94 28.209 -6.567 -6.567 728 2HD LYS 94 HD1 LYS 94 26.774 -7.574 -7.574 729 1HE LYS 94 HE2 LYS 94 26.158 -6.589 -6.589 730 2HE LYS 94 HE1 LYS 94 27.293 -5.257 -5.257 731 1HZ LYS 94 HZ2 LYS 94 28.690 -7.681 -7.681 732 2HZ LYS 94 HZ1 LYS 94 27.752 -7.715 -7.715 733 3HZ LYS 94 HZ3 LYS 94 28.858 -6.454 -6.454 734 H THR 95 HN THR 95 24.656 -5.805 -5.805 735 HA THR 95 HA THR 95 22.714 -3.544 -3.544 736 HB THR 95 HB THR 95 25.447 -3.554 -3.554 737 HG1 THR 95 HG1 THR 95 26.226 -3.183 -3.183 738 1HG2 THR 95 HG21 THR 95 23.423 -2.055 -2.055 739 2HG2 THR 95 HG23 THR 95 23.789 -1.166 -1.166 740 3HG2 THR 95 HG22 THR 95 25.006 -1.306 -1.306 741 H VAL 96 HN VAL 96 22.040 -6.020 -6.020 742 HA VAL 96 HA VAL 96 22.825 -6.700 -6.700 743 HB VAL 96 HB VAL 96 21.117 -7.733 -7.733 744 1HG1 VAL 96 HG12 VAL 96 19.202 -6.962 -6.962 745 2HG1 VAL 96 HG11 VAL 96 19.792 -7.841 -7.841 746 3HG1 VAL 96 HG13 VAL 96 19.279 -8.721 -8.721 747 1HG2 VAL 96 HG23 VAL 96 22.971 -8.822 -8.822 748 2HG2 VAL 96 HG22 VAL 96 22.014 -9.732 -9.732 749 3HG2 VAL 96 HG21 VAL 96 21.456 -9.552 -9.552 750 H LYS 97 HN LYS 97 20.935 -4.106 -4.106 751 HA LYS 97 HA LYS 97 20.309 -3.436 -3.436 752 1HB LYS 97 HB2 LYS 97 18.456 -5.163 -5.163 753 2HB LYS 97 HB1 LYS 97 17.683 -3.595 -3.595 754 1HG LYS 97 HG2 LYS 97 18.799 -4.651 -4.651 755 2HG LYS 97 HG1 LYS 97 17.107 -4.757 -4.757 756 1HD LYS 97 HD2 LYS 97 17.197 -2.213 -2.213 757 2HD LYS 97 HD1 LYS 97 18.729 -2.265 -2.265 758 1HE LYS 97 HE2 LYS 97 16.009 -3.140 -3.140 759 2HE LYS 97 HE1 LYS 97 16.998 -1.816 -1.816 760 1HZ LYS 97 HZ1 LYS 97 18.676 -3.442 -3.442 761 2HZ LYS 97 HZ3 LYS 97 17.689 -4.703 -4.703 762 3HZ LYS 97 HZ2 LYS 97 17.184 -3.752 -3.752 763 H GLY 98 HN GLY 98 20.860 -2.465 -2.465 764 1HA GLY 98 HA2 GLY 98 19.166 -0.097 -0.097 765 2HA GLY 98 HA1 GLY 98 20.523 -0.421 -0.421 766 HA PRO 99 HA PRO 99 21.389 3.106 3.106 767 1HB PRO 99 HB2 PRO 99 22.710 4.025 4.025 768 2HB PRO 99 HB1 PRO 99 21.750 4.959 4.959 769 1HG PRO 99 HG2 PRO 99 20.805 4.091 4.091 770 2HG PRO 99 HG1 PRO 99 19.756 4.450 4.450 771 1HD PRO 99 HD2 PRO 99 20.371 1.835 1.835 772 2HD PRO 99 HD1 PRO 99 19.128 2.238 2.238 773 H ASP 100 HN ASP 100 23.688 2.497 2.497 774 HA ASP 100 HA ASP 100 25.412 0.843 0.843 775 1HB ASP 100 HB2 ASP 100 25.819 3.162 3.162 776 2HB ASP 100 HB1 ASP 100 26.377 3.635 3.635 777 H GLY 101 HN GLY 101 27.331 2.738 2.738 778 1HA GLY 101 HA2 GLY 101 27.757 0.689 0.689 779 2HA GLY 101 HA1 GLY 101 28.316 2.353 2.353 780 H LEU 102 HN LEU 102 25.026 2.649 2.649 781 HA LEU 102 HA LEU 102 24.555 3.460 3.460 782 1HB LEU 102 HB2 LEU 102 22.986 3.937 3.937 783 2HB LEU 102 HB1 LEU 102 22.376 2.294 2.294 784 HG LEU 102 HG LEU 102 22.497 4.283 4.283 785 1HD1 LEU 102 HD11 LEU 102 21.071 5.167 5.167 786 2HD1 LEU 102 HD13 LEU 102 20.082 3.709 3.709 787 3HD1 LEU 102 HD12 LEU 102 20.183 4.830 4.830 788 1HD2 LEU 102 HD21 LEU 102 21.418 1.548 1.548 789 2HD2 LEU 102 HD23 LEU 102 22.139 2.377 2.377 790 3HD2 LEU 102 HD22 LEU 102 20.465 2.672 2.672 791 H THR 103 HN THR 103 22.956 0.643 0.643 792 HA THR 103 HA THR 103 22.105 -1.084 -1.084 793 HB THR 103 HB THR 103 23.897 -2.267 -2.267 794 HG1 THR 103 HG1 THR 103 23.410 -2.965 -2.965 795 1HG2 THR 103 HG21 THR 103 25.721 -0.365 -0.365 796 2HG2 THR 103 HG23 THR 103 26.269 -1.712 -1.712 797 3HG2 THR 103 HG22 THR 103 25.410 -0.376 -0.376 798 H ALA 104 HN ALA 104 24.720 -1.191 -1.191 799 HA ALA 104 HA ALA 104 23.105 -0.204 -0.204 800 1HB ALA 104 HB1 ALA 104 25.618 -1.750 -1.750 801 2HB ALA 104 HB3 ALA 104 25.122 -1.177 -1.177 802 3HB ALA 104 HB2 ALA 104 24.090 -2.286 -2.286 803 H LEU 105 HN LEU 105 26.000 0.756 0.756 804 HA LEU 105 HA LEU 105 27.220 2.387 2.387 805 1HB LEU 105 HB2 LEU 105 27.068 3.105 3.105 806 2HB LEU 105 HB1 LEU 105 28.343 3.460 3.460 807 HG LEU 105 HG LEU 105 27.567 0.742 0.742 808 1HD1 LEU 105 HD13 LEU 105 30.019 2.508 2.508 809 2HD1 LEU 105 HD12 LEU 105 29.869 0.870 0.870 810 3HD1 LEU 105 HD11 LEU 105 28.832 2.155 2.155 811 1HD2 LEU 105 HD22 LEU 105 29.411 1.671 1.671 812 2HD2 LEU 105 HD21 LEU 105 28.257 0.335 0.335 813 3HD2 LEU 105 HD23 LEU 105 29.764 0.194 0.194 814 H GLU 106 HN GLU 106 25.208 3.762 3.762 815 HA GLU 106 HA GLU 106 25.075 6.229 6.229 816 1HB GLU 106 HB2 GLU 106 25.004 6.955 6.955 817 2HB GLU 106 HB1 GLU 106 24.496 5.413 5.413 818 1HG GLU 106 HG2 GLU 106 22.785 6.894 6.894 819 2HG GLU 106 HG1 GLU 106 22.118 6.070 6.070 820 H ALA 107 HN ALA 107 23.476 3.409 3.409 821 HA ALA 107 HA ALA 107 20.779 4.381 4.381 822 1HB ALA 107 HB3 ALA 107 22.194 1.859 1.859 823 2HB ALA 107 HB2 ALA 107 20.499 2.150 2.150 824 3HB ALA 107 HB1 ALA 107 21.029 2.079 2.079 825 H THR 108 HN THR 108 23.351 3.645 3.645 826 HA THR 108 HA THR 108 21.918 5.445 5.445 827 HB THR 108 HB THR 108 20.797 3.235 3.235 828 HG1 THR 108 HG1 THR 108 21.533 2.942 2.942 829 1HG2 THR 108 HG22 THR 108 23.108 2.092 2.092 830 2HG2 THR 108 HG21 THR 108 23.336 2.145 2.145 831 3HG2 THR 108 HG23 THR 108 21.966 1.292 1.292 832 H ASP 109 HN ASP 109 23.008 4.119 4.119 833 HA ASP 109 HA ASP 109 25.926 4.240 4.240 834 1HB ASP 109 HB2 ASP 109 25.044 6.598 6.598 835 2HB ASP 109 HB1 ASP 109 24.509 5.938 5.938 836 H ASN 110 HN ASN 110 23.159 2.787 2.787 837 HA ASN 110 HA ASN 110 24.346 1.943 1.943 838 1HB ASN 110 HB2 ASN 110 22.433 0.491 0.491 839 2HB ASN 110 HB1 ASN 110 21.842 2.036 2.036 840 1HD2 ASN 110 HD21 ASN 110 23.107 1.236 1.236 841 2HD2 ASN 110 HD22 ASN 110 21.951 0.213 0.213 842 H GLN 111 HN GLN 111 25.558 0.114 0.114 843 HA GLN 111 HA GLN 111 26.878 -0.858 -0.858 844 1HB GLN 111 HB2 GLN 111 28.151 -0.544 -0.544 845 2HB GLN 111 HB1 GLN 111 27.022 -1.437 -1.437 846 1HG GLN 111 HG2 GLN 111 27.755 -3.537 -3.537 847 2HG GLN 111 HG1 GLN 111 28.506 -2.811 -2.811 848 1HE2 GLN 111 HE21 GLN 111 30.316 -1.108 -1.108 849 2HE2 GLN 111 HE22 GLN 111 31.369 -1.606 -1.606 850 H ALA 112 HN ALA 112 23.858 -1.868 -1.868 851 HA ALA 112 HA ALA 112 24.349 -4.759 -4.759 852 1HB ALA 112 HB2 ALA 112 22.470 -3.994 -3.994 853 2HB ALA 112 HB1 ALA 112 21.746 -3.226 -3.226 854 3HB ALA 112 HB3 ALA 112 21.907 -4.980 -4.980 855 H ILE 113 HN ILE 113 22.952 -2.110 -2.110 856 HA ILE 113 HA ILE 113 22.360 -3.427 -3.427 857 HB ILE 113 HB ILE 113 22.862 -0.650 -0.650 858 1HG1 ILE 113 HG12 ILE 113 20.600 -0.311 -0.311 859 2HG1 ILE 113 HG11 ILE 113 20.524 -2.060 -2.060 860 1HG2 ILE 113 HG22 ILE 113 22.940 -1.436 -1.436 861 2HG2 ILE 113 HG21 ILE 113 22.348 0.154 0.154 862 3HG2 ILE 113 HG23 ILE 113 23.988 -0.325 -0.325 863 1HD1 ILE 113 HD13 ILE 113 21.150 -1.676 -1.676 864 2HD1 ILE 113 HD12 ILE 113 20.263 -0.191 -0.191 865 3HD1 ILE 113 HD11 ILE 113 19.495 -1.749 -1.749 866 H LYS 114 HN LYS 114 24.996 -1.493 -1.493 867 HA LYS 114 HA LYS 114 26.618 -1.659 -1.659 868 1HB LYS 114 HB2 LYS 114 27.565 -1.531 -1.531 869 2HB LYS 114 HB1 LYS 114 28.411 -0.934 -0.934 870 1HG LYS 114 HG2 LYS 114 25.678 0.116 0.116 871 2HG LYS 114 HG1 LYS 114 27.154 0.860 0.860 872 1HD LYS 114 HD2 LYS 114 27.810 1.008 1.008 873 2HD LYS 114 HD1 LYS 114 26.125 0.630 0.630 874 1HE LYS 114 HE2 LYS 114 25.395 2.595 2.595 875 2HE LYS 114 HE1 LYS 114 27.052 2.924 2.924 876 1HZ LYS 114 HZ2 LYS 114 26.260 2.786 2.786 877 2HZ LYS 114 HZ1 LYS 114 26.183 4.230 4.230 878 3HZ LYS 114 HZ3 LYS 114 27.673 3.452 3.452 879 H ALA 115 HN ALA 115 25.569 -4.115 -4.115 880 HA ALA 115 HA ALA 115 27.878 -5.814 -5.814 881 1HB ALA 115 HB3 ALA 115 25.792 -6.131 -6.131 882 2HB ALA 115 HB2 ALA 115 25.032 -6.820 -6.820 883 3HB ALA 115 HB1 ALA 115 26.473 -7.573 -7.573 884 H LEU 116 HN LEU 116 25.164 -5.105 -5.105 885 HA LEU 116 HA LEU 116 25.884 -7.268 -7.268 886 1HB LEU 116 HB2 LEU 116 23.873 -5.108 -5.108 887 2HB LEU 116 HB1 LEU 116 24.475 -5.544 -5.544 888 HG LEU 116 HG LEU 116 23.204 -7.411 -7.411 889 1HD1 LEU 116 HD13 LEU 116 22.351 -6.335 -6.335 890 2HD1 LEU 116 HD12 LEU 116 21.571 -7.721 -7.721 891 3HD1 LEU 116 HD11 LEU 116 21.519 -6.140 -6.140 892 1HD2 LEU 116 HD22 LEU 116 24.948 -7.937 -7.937 893 2HD2 LEU 116 HD21 LEU 116 24.552 -8.983 -8.983 894 3HD2 LEU 116 HD23 LEU 116 23.446 -8.852 -8.852 895 H LEU 117 HN LEU 117 27.177 -4.076 -4.076 896 HA LEU 117 HA LEU 117 28.342 -4.112 -4.112 897 1HB LEU 117 HB2 LEU 117 29.153 -2.001 -2.001 898 2HB LEU 117 HB1 LEU 117 27.833 -2.080 -2.080 899 HG LEU 117 HG LEU 117 29.608 -3.054 -3.054 900 1HD1 LEU 117 HD11 LEU 117 31.332 -2.415 -2.415 901 2HD1 LEU 117 HD13 LEU 117 31.833 -1.561 -1.561 902 3HD1 LEU 117 HD12 LEU 117 31.684 -3.310 -3.310 903 1HD2 LEU 117 HD23 LEU 117 28.471 -0.783 -0.783 904 2HD2 LEU 117 HD22 LEU 117 30.041 -0.869 -0.869 905 3HD2 LEU 117 HD21 LEU 117 29.892 -0.139 -0.139 906 H GLN 118 HN GLN 118 28.798 -5.801 -5.801 907 HA GLN 118 HA GLN 118 31.667 -5.970 -5.970 908 1HB GLN 118 HB2 GLN 118 31.285 -7.254 -7.254 909 2HB GLN 118 HB1 GLN 118 29.693 -6.503 -6.503 910 1HG GLN 118 HG2 GLN 118 29.071 -8.555 -8.555 911 2HG GLN 118 HG1 GLN 118 30.514 -9.284 -9.284 912 1HE2 GLN 118 HE21 GLN 118 27.519 -9.840 -9.840 913 2HE2 GLN 118 HE22 GLN 118 27.365 -9.774 -9.774 Start of MODEL 24 1 1H MET 1 HT1 MET 1 -12.600 -9.690 -9.690 2 2H MET 1 HT3 MET 1 -13.491 -8.251 -8.251 3 3H MET 1 HT2 MET 1 -12.540 -8.549 -8.549 4 HA MET 1 HA MET 1 -10.614 -7.975 -7.975 5 1HB MET 1 HB2 MET 1 -12.715 -6.621 -6.621 6 2HB MET 1 HB1 MET 1 -11.025 -6.123 -6.123 7 1HG MET 1 HG2 MET 1 -12.183 -4.722 -4.722 8 2HG MET 1 HG1 MET 1 -11.386 -5.943 -5.943 9 1HE MET 1 HE2 MET 1 -12.953 -5.063 -5.063 10 2HE MET 1 HE1 MET 1 -14.703 -5.257 -5.257 11 3HE MET 1 HE3 MET 1 -13.973 -4.057 -4.057 12 H CYS 2 HN CYS 2 -9.151 -8.959 -8.959 13 HA CYS 2 HA CYS 2 -9.898 -9.652 -9.652 14 1HB CYS 2 HB2 CYS 2 -9.052 -11.784 -11.784 15 2HB CYS 2 HB1 CYS 2 -9.295 -12.030 -12.030 16 HG CYS 2 HG CYS 2 -11.628 -11.226 -11.226 17 H ASP 3 HN ASP 3 -7.820 -8.039 -8.039 18 HA ASP 3 HA ASP 3 -5.281 -9.336 -9.336 19 1HB ASP 3 HB2 ASP 3 -5.960 -6.391 -6.391 20 2HB ASP 3 HB1 ASP 3 -4.327 -7.054 -7.054 21 H LYS 4 HN LYS 4 -7.408 -7.547 -7.547 22 HA LYS 4 HA LYS 4 -5.527 -6.753 -6.753 23 1HB LYS 4 HB2 LYS 4 -8.492 -7.309 -7.309 24 2HB LYS 4 HB1 LYS 4 -7.615 -6.847 -6.847 25 1HG LYS 4 HG2 LYS 4 -6.911 -4.766 -4.766 26 2HG LYS 4 HG1 LYS 4 -7.497 -5.253 -5.253 27 1HD LYS 4 HD2 LYS 4 -9.052 -3.672 -3.672 28 2HD LYS 4 HD1 LYS 4 -9.807 -5.228 -5.228 29 1HE LYS 4 HE2 LYS 4 -10.146 -4.235 -4.235 30 2HE LYS 4 HE1 LYS 4 -9.662 -5.927 -5.927 31 1HZ LYS 4 HZ1 LYS 4 -7.776 -3.664 -3.664 32 2HZ LYS 4 HZ3 LYS 4 -8.366 -4.635 -4.635 33 3HZ LYS 4 HZ2 LYS 4 -7.400 -5.320 -5.320 34 H GLU 5 HN GLU 5 -7.680 -9.644 -9.644 35 HA GLU 5 HA GLU 5 -6.654 -10.848 -10.848 36 1HB GLU 5 HB2 GLU 5 -8.572 -11.583 -11.583 37 2HB GLU 5 HB1 GLU 5 -7.291 -12.572 -12.572 38 1HG GLU 5 HG2 GLU 5 -8.382 -12.660 -12.660 39 2HG GLU 5 HG1 GLU 5 -8.366 -13.953 -13.953 40 H PHE 6 HN PHE 6 -5.453 -11.061 -11.061 41 HA PHE 6 HA PHE 6 -3.248 -12.845 -12.845 42 1HB PHE 6 HB2 PHE 6 -4.375 -12.103 -12.103 43 2HB PHE 6 HB1 PHE 6 -3.200 -10.798 -10.798 44 HD1 PHE 6 HD2 PHE 6 -0.766 -12.001 -12.001 45 HD2 PHE 6 HD1 PHE 6 -3.701 -13.677 -13.677 46 HE1 PHE 6 HE2 PHE 6 0.952 -13.515 -13.515 47 HE2 PHE 6 HE1 PHE 6 -1.984 -15.185 -15.185 48 HZ PHE 6 HZ PHE 6 0.343 -15.107 -15.107 49 H MET 7 HN MET 7 -3.368 -9.365 -9.365 50 HA MET 7 HA MET 7 -0.708 -8.679 -8.679 51 1HB MET 7 HB2 MET 7 -2.357 -7.259 -7.259 52 2HB MET 7 HB1 MET 7 -3.217 -7.008 -7.008 53 1HG MET 7 HG2 MET 7 -0.856 -6.218 -6.218 54 2HG MET 7 HG1 MET 7 -0.544 -5.959 -5.959 55 1HE MET 7 HE3 MET 7 -2.692 -5.185 -5.185 56 2HE MET 7 HE2 MET 7 -4.088 -5.471 -5.471 57 3HE MET 7 HE1 MET 7 -3.732 -3.842 -3.842 58 H TRP 8 HN TRP 8 -3.654 -8.141 -8.141 59 HA TRP 8 HA TRP 8 -2.554 -7.147 -7.147 60 1HB TRP 8 HB2 TRP 8 -4.996 -7.512 -7.512 61 2HB TRP 8 HB1 TRP 8 -4.799 -9.165 -9.165 62 HD1 TRP 8 HD1 TRP 8 -5.019 -9.539 -9.539 63 HE1 TRP 8 HE1 TRP 8 -5.166 -8.015 -8.015 64 HE3 TRP 8 HE3 TRP 8 -4.070 -5.007 -5.007 65 HZ2 TRP 8 HZ2 TRP 8 -4.912 -5.243 -5.243 66 HZ3 TRP 8 HZ3 TRP 8 -4.029 -2.943 -2.943 67 HH2 TRP 8 HH2 TRP 8 -4.449 -3.056 -3.056 68 H ALA 9 HN ALA 9 -1.842 -10.232 -10.232 69 HA ALA 9 HA ALA 9 -1.334 -11.385 -11.385 70 1HB ALA 9 HB2 ALA 9 -2.182 -12.876 -12.876 71 2HB ALA 9 HB1 ALA 9 -0.764 -12.521 -12.521 72 3HB ALA 9 HB3 ALA 9 -0.583 -13.387 -13.387 73 H LEU 10 HN LEU 10 0.626 -10.541 -10.541 74 HA LEU 10 HA LEU 10 3.185 -11.034 -11.034 75 1HB LEU 10 HB2 LEU 10 2.459 -8.693 -8.693 76 2HB LEU 10 HB1 LEU 10 4.046 -9.427 -9.427 77 HG LEU 10 HG LEU 10 2.560 -11.607 -11.607 78 1HD1 LEU 10 HD12 LEU 10 0.564 -10.092 -10.092 79 2HD1 LEU 10 HD11 LEU 10 1.478 -9.280 -9.280 80 3HD1 LEU 10 HD13 LEU 10 1.045 -10.979 -10.979 81 1HD2 LEU 10 HD23 LEU 10 3.980 -9.566 -9.566 82 2HD2 LEU 10 HD22 LEU 10 4.655 -11.048 -11.048 83 3HD2 LEU 10 HD21 LEU 10 3.447 -11.133 -11.133 84 H LYS 11 HN LYS 11 0.804 -8.976 -8.976 85 HA LYS 11 HA LYS 11 2.436 -6.777 -6.777 86 1HB LYS 11 HB2 LYS 11 0.138 -6.417 -6.417 87 2HB LYS 11 HB1 LYS 11 -0.450 -7.563 -7.563 88 1HG LYS 11 HG2 LYS 11 0.870 -5.895 -5.895 89 2HG LYS 11 HG1 LYS 11 0.497 -4.760 -4.760 90 1HD LYS 11 HD2 LYS 11 -1.869 -5.337 -5.337 91 2HD LYS 11 HD1 LYS 11 -1.542 -6.563 -6.563 92 1HE LYS 11 HE2 LYS 11 -1.371 -3.570 -3.570 93 2HE LYS 11 HE1 LYS 11 -2.294 -4.715 -4.715 94 1HZ LYS 11 HZ1 LYS 11 0.062 -5.669 -5.669 95 2HZ LYS 11 HZ3 LYS 11 0.569 -4.104 -4.104 96 3HZ LYS 11 HZ2 LYS 11 -0.524 -4.330 -4.330 97 H ASN 12 HN ASN 12 0.035 -8.442 -8.442 98 HA ASN 12 HA ASN 12 1.702 -8.187 -8.187 99 1HB ASN 12 HB2 ASN 12 -0.924 -8.164 -8.164 100 2HB ASN 12 HB1 ASN 12 -0.757 -9.892 -9.892 101 1HD2 ASN 12 HD21 ASN 12 -0.952 -6.834 -6.834 102 2HD2 ASN 12 HD22 ASN 12 -0.502 -7.335 -7.335 103 H GLY 13 HN GLY 13 2.550 -10.123 -10.123 104 1HA GLY 13 HA2 GLY 13 3.769 -12.119 -12.119 105 2HA GLY 13 HA1 GLY 13 3.619 -12.100 -12.100 106 H ASP 14 HN ASP 14 0.694 -12.013 -12.013 107 HA ASP 14 HA ASP 14 -0.205 -14.491 -14.491 108 1HB ASP 14 HB2 ASP 14 -1.479 -13.403 -13.403 109 2HB ASP 14 HB1 ASP 14 -2.210 -14.107 -14.107 110 H LEU 15 HN LEU 15 2.070 -15.092 -15.092 111 HA LEU 15 HA LEU 15 2.608 -15.808 -15.808 112 1HB LEU 15 HB2 LEU 15 4.171 -15.936 -15.936 113 2HB LEU 15 HB1 LEU 15 3.295 -17.321 -17.321 114 HG LEU 15 HG LEU 15 5.440 -17.768 -17.768 115 1HD1 LEU 15 HD12 LEU 15 3.078 -19.215 -19.215 116 2HD1 LEU 15 HD11 LEU 15 3.439 -19.334 -19.334 117 3HD1 LEU 15 HD13 LEU 15 4.630 -19.850 -19.850 118 1HD2 LEU 15 HD23 LEU 15 4.684 -16.105 -16.105 119 2HD2 LEU 15 HD22 LEU 15 5.405 -17.623 -17.623 120 3HD2 LEU 15 HD21 LEU 15 3.657 -17.412 -17.412 121 H ASP 16 HN ASP 16 0.378 -17.359 -17.359 122 HA ASP 16 HA ASP 16 0.123 -19.842 -19.842 123 1HB ASP 16 HB2 ASP 16 -1.858 -18.339 -18.339 124 2HB ASP 16 HB1 ASP 16 -2.022 -20.017 -20.017 125 H GLU 17 HN GLU 17 -1.284 -16.654 -16.654 126 HA GLU 17 HA GLU 17 -3.369 -17.530 -17.530 127 1HB GLU 17 HB2 GLU 17 -2.284 -14.895 -14.895 128 2HB GLU 17 HB1 GLU 17 -3.296 -14.938 -14.938 129 1HG GLU 17 HG2 GLU 17 -4.559 -14.551 -14.551 130 2HG GLU 17 HG1 GLU 17 -5.127 -15.923 -15.923 131 H VAL 18 HN VAL 18 -0.198 -15.915 -15.915 132 HA VAL 18 HA VAL 18 -0.405 -15.781 -15.781 133 HB VAL 18 HB VAL 18 2.315 -16.111 -16.111 134 1HG1 VAL 18 HG12 VAL 18 1.021 -14.212 -14.212 135 2HG1 VAL 18 HG11 VAL 18 0.922 -13.467 -13.467 136 3HG1 VAL 18 HG13 VAL 18 2.492 -13.778 -13.778 137 1HG2 VAL 18 HG21 VAL 18 1.523 -16.278 -16.278 138 2HG2 VAL 18 HG23 VAL 18 2.867 -15.209 -15.209 139 3HG2 VAL 18 HG22 VAL 18 1.261 -14.541 -14.541 140 H LYS 19 HN LYS 19 0.785 -18.213 -18.213 141 HA LYS 19 HA LYS 19 1.972 -19.994 -19.994 142 1HB LYS 19 HB2 LYS 19 2.140 -20.053 -20.053 143 2HB LYS 19 HB1 LYS 19 0.540 -20.786 -20.786 144 1HG LYS 19 HG2 LYS 19 1.283 -22.759 -22.759 145 2HG LYS 19 HG1 LYS 19 2.683 -21.987 -21.987 146 1HD LYS 19 HD2 LYS 19 2.463 -22.120 -22.120 147 2HD LYS 19 HD1 LYS 19 3.039 -23.520 -23.520 148 1HE LYS 19 HE2 LYS 19 4.270 -20.931 -20.931 149 2HE LYS 19 HE1 LYS 19 4.668 -21.516 -21.516 150 1HZ LYS 19 HZ1 LYS 19 4.858 -23.209 -23.209 151 2HZ LYS 19 HZ3 LYS 19 6.161 -22.305 -22.305 152 3HZ LYS 19 HZ2 LYS 19 5.474 -23.539 -23.539 153 H ASP 20 HN ASP 20 -1.368 -19.438 -19.438 154 HA ASP 20 HA ASP 20 -2.415 -21.900 -21.900 155 1HB ASP 20 HB2 ASP 20 -3.712 -20.394 -20.394 156 2HB ASP 20 HB1 ASP 20 -3.764 -19.191 -19.191 157 H TYR 21 HN TYR 21 -2.377 -18.630 -18.630 158 HA TYR 21 HA TYR 21 -3.303 -19.479 -19.479 159 1HB TYR 21 HB2 TYR 21 -1.614 -17.114 -17.114 160 2HB TYR 21 HB1 TYR 21 -2.194 -17.333 -17.333 161 HD1 TYR 21 HD1 TYR 21 -3.206 -16.753 -16.753 162 HD2 TYR 21 HD2 TYR 21 -4.533 -17.068 -17.068 163 HE1 TYR 21 HE1 TYR 21 -5.402 -15.799 -15.799 164 HE2 TYR 21 HE2 TYR 21 -6.731 -16.114 -16.114 165 HH TYR 21 HH TYR 21 -7.270 -14.572 -14.572 166 H VAL 22 HN VAL 22 0.043 -18.944 -18.944 167 HA VAL 22 HA VAL 22 1.250 -19.786 -19.786 168 HB VAL 22 HB VAL 22 2.273 -19.389 -19.389 169 1HG1 VAL 22 HG12 VAL 22 3.816 -20.274 -20.274 170 2HG1 VAL 22 HG11 VAL 22 4.565 -19.644 -19.644 171 3HG1 VAL 22 HG13 VAL 22 3.665 -21.162 -21.162 172 1HG2 VAL 22 HG23 VAL 22 1.605 -17.478 -17.478 173 2HG2 VAL 22 HG22 VAL 22 3.254 -17.416 -17.416 174 3HG2 VAL 22 HG21 VAL 22 2.951 -17.979 -17.979 175 H ALA 23 HN ALA 23 -0.011 -21.539 -21.539 176 HA ALA 23 HA ALA 23 1.514 -23.939 -23.939 177 1HB ALA 23 HB1 ALA 23 -1.213 -23.324 -23.324 178 2HB ALA 23 HB3 ALA 23 -0.662 -24.992 -24.992 179 3HB ALA 23 HB2 ALA 23 0.236 -23.846 -23.846 180 H LYS 24 HN LYS 24 -0.935 -22.484 -22.484 181 HA LYS 24 HA LYS 24 -2.094 -24.759 -24.759 182 1HB LYS 24 HB2 LYS 24 -1.706 -21.911 -21.911 183 2HB LYS 24 HB1 LYS 24 -2.306 -23.070 -23.070 184 1HG LYS 24 HG2 LYS 24 -4.262 -23.483 -23.483 185 2HG LYS 24 HG1 LYS 24 -3.564 -22.979 -22.979 186 1HD LYS 24 HD2 LYS 24 -5.150 -21.287 -21.287 187 2HD LYS 24 HD1 LYS 24 -3.516 -20.628 -20.628 188 1HE LYS 24 HE2 LYS 24 -3.372 -20.887 -20.887 189 2HE LYS 24 HE1 LYS 24 -4.805 -21.915 -21.915 190 1HZ LYS 24 HZ3 LYS 24 -5.708 -19.658 -19.658 191 2HZ LYS 24 HZ2 LYS 24 -4.605 -19.049 -19.049 192 3HZ LYS 24 HZ1 LYS 24 -5.890 -20.041 -20.041 193 H GLY 25 HN GLY 25 0.224 -22.647 -22.647 194 1HA GLY 25 HA2 GLY 25 1.939 -24.921 -24.921 195 2HA GLY 25 HA1 GLY 25 0.998 -24.362 -24.362 196 H GLU 26 HN GLU 26 3.418 -23.412 -23.412 197 HA GLU 26 HA GLU 26 4.831 -21.501 -21.501 198 1HB GLU 26 HB2 GLU 26 6.294 -21.636 -21.636 199 2HB GLU 26 HB1 GLU 26 6.263 -23.018 -23.018 200 1HG GLU 26 HG2 GLU 26 4.633 -24.155 -24.155 201 2HG GLU 26 HG1 GLU 26 4.506 -22.744 -22.744 202 H ASP 27 HN ASP 27 3.351 -19.734 -19.734 203 HA ASP 27 HA ASP 27 3.262 -18.331 -18.331 204 1HB ASP 27 HB2 ASP 27 1.168 -18.101 -18.101 205 2HB ASP 27 HB1 ASP 27 1.098 -17.412 -17.412 206 H VAL 28 HN VAL 28 5.398 -18.073 -18.073 207 HA VAL 28 HA VAL 28 4.921 -15.631 -15.631 208 HB VAL 28 HB VAL 28 7.058 -16.201 -16.201 209 1HG1 VAL 28 HG11 VAL 28 5.073 -18.465 -18.465 210 2HG1 VAL 28 HG13 VAL 28 6.345 -18.472 -18.472 211 3HG1 VAL 28 HG12 VAL 28 5.088 -17.242 -17.242 212 1HG2 VAL 28 HG21 VAL 28 7.574 -17.553 -17.553 213 2HG2 VAL 28 HG23 VAL 28 8.569 -17.603 -17.603 214 3HG2 VAL 28 HG22 VAL 28 7.344 -18.842 -18.842 215 H ASN 29 HN ASN 29 4.812 -14.757 -14.757 216 HA ASN 29 HA ASN 29 7.063 -13.057 -13.057 217 1HB ASN 29 HB2 ASN 29 7.621 -14.018 -14.018 218 2HB ASN 29 HB1 ASN 29 8.293 -14.846 -14.846 219 1HD2 ASN 29 HD21 ASN 29 7.198 -16.873 -16.873 220 2HD2 ASN 29 HD22 ASN 29 6.245 -17.738 -17.738 221 H ARG 30 HN ARG 30 4.203 -12.931 -12.931 222 HA ARG 30 HA ARG 30 3.424 -12.024 -12.024 223 1HB ARG 30 HB2 ARG 30 1.616 -12.521 -12.521 224 2HB ARG 30 HB1 ARG 30 1.137 -12.312 -12.312 225 1HG ARG 30 HG2 ARG 30 2.823 -14.390 -14.390 226 2HG ARG 30 HG1 ARG 30 2.318 -14.693 -14.693 227 1HD ARG 30 HD2 ARG 30 0.683 -14.687 -14.687 228 2HD ARG 30 HD1 ARG 30 0.683 -15.852 -15.852 229 HE ARG 30 HE ARG 30 -1.081 -13.626 -13.626 230 1HH1 ARG 30 HH21 ARG 30 0.965 -15.130 -15.130 231 2HH1 ARG 30 HH22 ARG 30 0.200 -14.365 -14.365 232 1HH2 ARG 30 HH11 ARG 30 -2.081 -12.619 -12.619 233 2HH2 ARG 30 HH12 ARG 30 -1.522 -12.940 -12.940 234 H THR 31 HN THR 31 2.539 -9.878 -9.878 235 HA THR 31 HA THR 31 3.643 -7.903 -7.903 236 HB THR 31 HB THR 31 1.125 -7.382 -7.382 237 HG1 THR 31 HG1 THR 31 2.612 -8.629 -8.629 238 1HG2 THR 31 HG23 THR 31 3.643 -5.822 -5.822 239 2HG2 THR 31 HG22 THR 31 2.356 -5.238 -5.238 240 3HG2 THR 31 HG21 THR 31 2.029 -5.536 -5.536 241 H LEU 32 HN LEU 32 2.965 -7.235 -7.235 242 HA LEU 32 HA LEU 32 0.716 -8.545 -8.545 243 1HB LEU 32 HB2 LEU 32 2.850 -7.841 -7.841 244 2HB LEU 32 HB1 LEU 32 2.318 -6.173 -6.173 245 HG LEU 32 HG LEU 32 0.512 -8.224 -8.224 246 1HD1 LEU 32 HD12 LEU 32 3.063 -7.140 -7.140 247 2HD1 LEU 32 HD11 LEU 32 1.689 -6.992 -6.992 248 3HD1 LEU 32 HD13 LEU 32 2.163 -8.574 -8.574 249 1HD2 LEU 32 HD22 LEU 32 0.833 -5.225 -5.225 250 2HD2 LEU 32 HD21 LEU 32 -0.618 -6.183 -6.183 251 3HD2 LEU 32 HD23 LEU 32 0.024 -6.024 -6.024 252 H GLU 33 HN GLU 33 1.181 -5.093 -5.093 253 HA GLU 33 HA GLU 33 -1.669 -4.613 -4.613 254 1HB GLU 33 HB2 GLU 33 -0.584 -3.223 -3.223 255 2HB GLU 33 HB1 GLU 33 0.782 -2.937 -2.937 256 1HG GLU 33 HG2 GLU 33 -0.770 -0.971 -0.971 257 2HG GLU 33 HG1 GLU 33 -0.536 -1.484 -1.484 258 H GLY 34 HN GLY 34 0.971 -3.025 -3.025 259 1HA GLY 34 HA2 GLY 34 -0.546 -3.533 -3.533 260 2HA GLY 34 HA1 GLY 34 -0.328 -1.840 -1.840 261 H GLY 35 HN GLY 35 2.321 -2.838 -2.838 262 1HA GLY 35 HA2 GLY 35 3.933 -3.486 -3.486 263 2HA GLY 35 HA1 GLY 35 4.202 -1.872 -1.872 264 H ARG 36 HN ARG 36 3.303 -3.894 -3.894 265 HA ARG 36 HA ARG 36 6.165 -4.242 -4.242 266 1HB ARG 36 HB2 ARG 36 3.920 -4.514 -4.514 267 2HB ARG 36 HB1 ARG 36 5.556 -3.898 -3.898 268 1HG ARG 36 HG2 ARG 36 4.832 -1.968 -1.968 269 2HG ARG 36 HG1 ARG 36 3.187 -2.501 -2.501 270 1HD ARG 36 HD2 ARG 36 4.300 -2.411 -2.411 271 2HD ARG 36 HD1 ARG 36 5.086 -1.052 -1.052 272 HE ARG 36 HE ARG 36 2.439 -1.018 -1.018 273 1HH1 ARG 36 HH21 ARG 36 4.123 -0.424 -0.424 274 2HH1 ARG 36 HH22 ARG 36 2.860 0.547 0.547 275 1HH2 ARG 36 HH11 ARG 36 0.777 0.242 0.242 276 2HH2 ARG 36 HH12 ARG 36 0.967 0.923 0.923 277 H LYS 37 HN LYS 37 6.340 -6.182 -6.182 278 HA LYS 37 HA LYS 37 4.891 -8.555 -8.555 279 1HB LYS 37 HB2 LYS 37 6.896 -9.733 -9.733 280 2HB LYS 37 HB1 LYS 37 7.386 -8.107 -8.107 281 1HG LYS 37 HG2 LYS 37 7.772 -9.403 -9.403 282 2HG LYS 37 HG1 LYS 37 9.027 -9.083 -9.083 283 1HD LYS 37 HD2 LYS 37 7.353 -6.969 -6.969 284 2HD LYS 37 HD1 LYS 37 9.024 -7.359 -7.359 285 1HE LYS 37 HE2 LYS 37 7.904 -6.003 -6.003 286 2HE LYS 37 HE1 LYS 37 9.240 -5.504 -5.504 287 1HZ LYS 37 HZ3 LYS 37 9.316 -7.939 -7.939 288 2HZ LYS 37 HZ2 LYS 37 9.886 -6.425 -6.425 289 3HZ LYS 37 HZ1 LYS 37 10.609 -7.196 -7.196 290 HA PRO 38 HA PRO 38 4.306 -9.580 -9.580 291 1HB PRO 38 HB2 PRO 38 4.705 -12.317 -12.317 292 2HB PRO 38 HB1 PRO 38 3.282 -11.536 -11.536 293 1HG PRO 38 HG2 PRO 38 5.469 -12.949 -12.949 294 2HG PRO 38 HG1 PRO 38 3.886 -12.470 -12.470 295 1HD PRO 38 HD2 PRO 38 6.445 -11.169 -11.169 296 2HD PRO 38 HD1 PRO 38 4.866 -10.728 -10.728 297 H LEU 39 HN LEU 39 7.224 -8.954 -8.954 298 HA LEU 39 HA LEU 39 8.455 -10.465 -10.465 299 1HB LEU 39 HB2 LEU 39 9.397 -10.974 -10.974 300 2HB LEU 39 HB1 LEU 39 9.906 -9.300 -9.300 301 HG LEU 39 HG LEU 39 11.640 -9.597 -9.597 302 1HD1 LEU 39 HD11 LEU 39 10.106 -11.906 -11.906 303 2HD1 LEU 39 HD13 LEU 39 11.730 -11.432 -11.432 304 3HD1 LEU 39 HD12 LEU 39 10.382 -10.328 -10.328 305 1HD2 LEU 39 HD22 LEU 39 11.681 -11.279 -11.279 306 2HD2 LEU 39 HD21 LEU 39 12.851 -11.491 -11.491 307 3HD2 LEU 39 HD23 LEU 39 11.405 -12.500 -12.500 308 H HIS 40 HN HIS 40 7.677 -7.426 -7.426 309 HA HIS 40 HA HIS 40 9.593 -5.844 -5.844 310 1HB HIS 40 HB2 HIS 40 8.740 -4.872 -4.872 311 2HB HIS 40 HB1 HIS 40 7.072 -5.161 -5.161 312 HD1 HIS 40 HD1 HIS 40 6.275 -3.764 -3.764 313 HD2 HIS 40 HD2 HIS 40 9.726 -2.405 -2.405 314 HE1 HIS 40 HE1 HIS 40 6.646 -1.391 -1.391 315 H TYR 41 HN TYR 41 6.114 -6.619 -6.619 316 HA TYR 41 HA TYR 41 5.804 -5.211 -5.211 317 1HB TYR 41 HB2 TYR 41 4.189 -7.534 -7.534 318 2HB TYR 41 HB1 TYR 41 3.683 -6.420 -6.420 319 HD1 TYR 41 HD1 TYR 41 4.712 -6.592 -6.592 320 HD2 TYR 41 HD2 TYR 41 2.705 -4.335 -4.335 321 HE1 TYR 41 HE1 TYR 41 3.918 -4.988 -4.988 322 HE2 TYR 41 HE2 TYR 41 1.902 -2.737 -2.737 323 HH TYR 41 HH TYR 41 2.937 -2.073 -2.073 324 H ALA 42 HN ALA 42 6.652 -8.494 -8.494 325 HA ALA 42 HA ALA 42 6.637 -9.590 -9.590 326 1HB ALA 42 HB1 ALA 42 6.696 -10.846 -10.846 327 2HB ALA 42 HB3 ALA 42 8.427 -10.524 -10.524 328 3HB ALA 42 HB2 ALA 42 7.694 -11.491 -11.491 329 H ALA 43 HN ALA 43 9.292 -8.626 -8.626 330 HA ALA 43 HA ALA 43 11.416 -8.705 -8.705 331 1HB ALA 43 HB2 ALA 43 10.845 -6.698 -6.698 332 2HB ALA 43 HB1 ALA 43 12.413 -6.890 -6.890 333 3HB ALA 43 HB3 ALA 43 11.736 -8.210 -8.210 334 H ASP 44 HN ASP 44 9.640 -5.728 -5.728 335 HA ASP 44 HA ASP 44 10.622 -4.161 -4.161 336 1HB ASP 44 HB2 ASP 44 8.089 -3.908 -3.908 337 2HB ASP 44 HB1 ASP 44 8.670 -2.668 -2.668 338 H CYS 45 HN CYS 45 8.008 -6.499 -6.499 339 HA CYS 45 HA CYS 45 7.818 -6.216 -6.216 340 1HB CYS 45 HB2 CYS 45 5.156 -5.869 -5.869 341 2HB CYS 45 HB1 CYS 45 6.260 -4.545 -4.545 342 HG CYS 45 HG CYS 45 6.328 -4.947 -4.947 343 H GLY 46 HN GLY 46 8.545 -8.436 -8.436 344 1HA GLY 46 HA2 GLY 46 6.111 -10.151 -10.151 345 2HA GLY 46 HA1 GLY 46 7.703 -10.535 -10.535 346 H GLN 47 HN GLN 47 7.585 -9.202 -9.202 347 HA GLN 47 HA GLN 47 8.306 -10.171 -10.171 348 1HB GLN 47 HB2 GLN 47 6.454 -12.250 -12.250 349 2HB GLN 47 HB1 GLN 47 7.313 -12.570 -12.570 350 1HG GLN 47 HG2 GLN 47 5.029 -11.545 -11.545 351 2HG GLN 47 HG1 GLN 47 6.335 -10.630 -10.630 352 1HE2 GLN 47 HE21 GLN 47 5.155 -10.769 -10.769 353 2HE2 GLN 47 HE22 GLN 47 4.918 -9.094 -9.094 354 H LEU 48 HN LEU 48 9.549 -10.574 -10.574 355 HA LEU 48 HA LEU 48 11.480 -11.458 -11.458 356 1HB LEU 48 HB2 LEU 48 11.907 -12.004 -12.004 357 2HB LEU 48 HB1 LEU 48 13.102 -12.427 -12.427 358 HG LEU 48 HG LEU 48 13.881 -10.328 -10.328 359 1HD1 LEU 48 HD13 LEU 48 11.082 -9.491 -9.491 360 2HD1 LEU 48 HD12 LEU 48 12.448 -8.392 -8.392 361 3HD1 LEU 48 HD11 LEU 48 12.457 -9.718 -9.718 362 1HD2 LEU 48 HD22 LEU 48 11.592 -9.847 -9.847 363 2HD2 LEU 48 HD21 LEU 48 13.285 -10.137 -10.137 364 3HD2 LEU 48 HD23 LEU 48 12.803 -8.620 -8.620 365 H GLU 49 HN GLU 49 9.082 -13.336 -13.336 366 HA GLU 49 HA GLU 49 10.450 -15.908 -15.908 367 1HB GLU 49 HB2 GLU 49 7.997 -16.753 -16.753 368 2HB GLU 49 HB1 GLU 49 9.127 -16.356 -16.356 369 1HG GLU 49 HG2 GLU 49 8.173 -14.157 -14.157 370 2HG GLU 49 HG1 GLU 49 7.169 -14.374 -14.374 371 H ILE 50 HN ILE 50 7.832 -13.786 -13.786 372 HA ILE 50 HA ILE 50 6.810 -15.384 -15.384 373 HB ILE 50 HB ILE 50 6.802 -12.373 -12.373 374 1HG1 ILE 50 HG12 ILE 50 5.574 -14.395 -14.395 375 2HG1 ILE 50 HG11 ILE 50 5.700 -12.663 -12.663 376 1HG2 ILE 50 HG22 ILE 50 4.974 -14.369 -14.369 377 2HG2 ILE 50 HG21 ILE 50 4.702 -12.629 -12.629 378 3HG2 ILE 50 HG23 ILE 50 6.105 -13.282 -13.282 379 1HD1 ILE 50 HD13 ILE 50 3.681 -13.751 -13.751 380 2HD1 ILE 50 HD12 ILE 50 3.348 -13.777 -13.777 381 3HD1 ILE 50 HD11 ILE 50 3.654 -12.247 -12.247 382 H LEU 51 HN LEU 51 9.349 -12.850 -12.850 383 HA LEU 51 HA LEU 51 9.617 -12.893 -12.893 384 1HB LEU 51 HB2 LEU 51 12.237 -12.567 -12.567 385 2HB LEU 51 HB1 LEU 51 11.081 -11.263 -11.263 386 HG LEU 51 HG LEU 51 12.325 -11.056 -11.056 387 1HD1 LEU 51 HD11 LEU 51 9.525 -11.100 -11.100 388 2HD1 LEU 51 HD13 LEU 51 9.935 -11.876 -11.876 389 3HD1 LEU 51 HD12 LEU 51 10.522 -10.258 -10.258 390 1HD2 LEU 51 HD23 LEU 51 12.672 -13.632 -13.632 391 2HD2 LEU 51 HD22 LEU 51 12.579 -12.724 -12.724 392 3HD2 LEU 51 HD21 LEU 51 11.177 -13.630 -13.630 393 H GLU 52 HN GLU 52 11.499 -14.820 -14.820 394 HA GLU 52 HA GLU 52 12.907 -16.399 -16.399 395 1HB GLU 52 HB2 GLU 52 12.095 -16.611 -16.611 396 2HB GLU 52 HB1 GLU 52 12.227 -18.189 -18.189 397 1HG GLU 52 HG2 GLU 52 14.411 -16.138 -16.138 398 2HG GLU 52 HG1 GLU 52 14.369 -17.151 -17.151 399 H PHE 53 HN PHE 53 9.493 -16.621 -16.621 400 HA PHE 53 HA PHE 53 9.029 -19.237 -19.237 401 1HB PHE 53 HB2 PHE 53 7.389 -18.316 -18.316 402 2HB PHE 53 HB1 PHE 53 7.155 -16.915 -16.915 403 HD1 PHE 53 HD1 PHE 53 7.135 -20.663 -20.663 404 HD2 PHE 53 HD2 PHE 53 5.276 -16.937 -16.937 405 HE1 PHE 53 HE1 PHE 53 5.409 -21.891 -21.891 406 HE2 PHE 53 HE2 PHE 53 3.554 -18.164 -18.164 407 HZ PHE 53 HZ PHE 53 3.623 -20.644 -20.644 408 H LEU 54 HN LEU 54 7.340 -16.514 -16.514 409 HA LEU 54 HA LEU 54 7.157 -17.756 -17.756 410 1HB LEU 54 HB2 LEU 54 6.313 -15.710 -15.710 411 2HB LEU 54 HB1 LEU 54 5.855 -15.760 -15.760 412 HG LEU 54 HG LEU 54 6.612 -13.543 -13.543 413 1HD1 LEU 54 HD11 LEU 54 7.517 -14.745 -14.745 414 2HD1 LEU 54 HD13 LEU 54 9.034 -14.910 -14.910 415 3HD1 LEU 54 HD12 LEU 54 8.401 -13.314 -13.314 416 1HD2 LEU 54 HD21 LEU 54 8.113 -14.625 -14.625 417 2HD2 LEU 54 HD23 LEU 54 8.191 -12.954 -12.954 418 3HD2 LEU 54 HD22 LEU 54 9.348 -14.136 -14.136 419 H LEU 55 HN LEU 55 9.961 -16.531 -16.531 420 HA LEU 55 HA LEU 55 11.231 -15.950 -15.950 421 1HB LEU 55 HB2 LEU 55 11.623 -14.684 -14.684 422 2HB LEU 55 HB1 LEU 55 12.672 -16.043 -16.043 423 HG LEU 55 HG LEU 55 12.927 -14.238 -14.238 424 1HD1 LEU 55 HD11 LEU 55 13.544 -13.322 -13.322 425 2HD1 LEU 55 HD13 LEU 55 14.803 -14.557 -14.557 426 3HD1 LEU 55 HD12 LEU 55 14.840 -13.308 -13.308 427 1HD2 LEU 55 HD21 LEU 55 14.356 -16.734 -16.734 428 2HD2 LEU 55 HD23 LEU 55 13.817 -16.286 -16.286 429 3HD2 LEU 55 HD22 LEU 55 15.231 -15.508 -15.508 430 H LEU 56 HN LEU 56 11.451 -18.338 -18.338 431 HA LEU 56 HA LEU 56 13.570 -19.846 -19.846 432 1HB LEU 56 HB2 LEU 56 13.193 -21.517 -21.517 433 2HB LEU 56 HB1 LEU 56 12.632 -20.059 -20.059 434 HG LEU 56 HG LEU 56 10.301 -20.787 -20.787 435 1HD1 LEU 56 HD12 LEU 56 11.787 -22.873 -22.873 436 2HD1 LEU 56 HD11 LEU 56 11.286 -23.517 -23.517 437 3HD1 LEU 56 HD13 LEU 56 10.074 -23.018 -23.018 438 1HD2 LEU 56 HD21 LEU 56 10.918 -20.527 -20.527 439 2HD2 LEU 56 HD23 LEU 56 9.715 -21.775 -21.775 440 3HD2 LEU 56 HD22 LEU 56 11.391 -22.222 -22.222 441 H LYS 57 HN LYS 57 10.101 -19.855 -19.855 442 HA LYS 57 HA LYS 57 10.050 -22.239 -22.239 443 1HB LYS 57 HB2 LYS 57 8.013 -21.046 -21.046 444 2HB LYS 57 HB1 LYS 57 8.181 -19.856 -19.856 445 1HG LYS 57 HG2 LYS 57 7.157 -21.213 -21.213 446 2HG LYS 57 HG1 LYS 57 8.266 -22.534 -22.534 447 1HD LYS 57 HD2 LYS 57 5.965 -21.844 -21.844 448 2HD LYS 57 HD1 LYS 57 5.768 -22.946 -22.946 449 1HE LYS 57 HE2 LYS 57 8.014 -23.371 -23.371 450 2HE LYS 57 HE1 LYS 57 6.385 -23.923 -23.923 451 1HZ LYS 57 HZ2 LYS 57 6.792 -24.729 -24.729 452 2HZ LYS 57 HZ1 LYS 57 8.280 -25.030 -25.030 453 3HZ LYS 57 HZ3 LYS 57 6.857 -25.713 -25.713 454 H GLY 58 HN GLY 58 9.002 -19.331 -19.331 455 1HA GLY 58 HA2 GLY 58 10.851 -19.841 -19.841 456 2HA GLY 58 HA1 GLY 58 9.687 -18.514 -18.514 457 H ALA 59 HN ALA 59 10.892 -16.586 -16.586 458 HA ALA 59 HA ALA 59 12.438 -15.774 -15.774 459 1HB ALA 59 HB2 ALA 59 14.002 -17.296 -17.296 460 2HB ALA 59 HB1 ALA 59 14.755 -15.870 -15.870 461 3HB ALA 59 HB3 ALA 59 14.224 -17.191 -17.191 462 H ASP 60 HN ASP 60 11.069 -13.981 -13.981 463 HA ASP 60 HA ASP 60 11.782 -12.502 -12.502 464 1HB ASP 60 HB2 ASP 60 9.483 -12.494 -12.494 465 2HB ASP 60 HB1 ASP 60 10.175 -11.587 -11.587 466 H ILE 61 HN ILE 61 13.435 -13.246 -13.246 467 HA ILE 61 HA ILE 61 14.359 -10.996 -10.996 468 HB ILE 61 HB ILE 61 14.892 -13.404 -13.404 469 1HG1 ILE 61 HG12 ILE 61 17.232 -11.492 -11.492 470 2HG1 ILE 61 HG11 ILE 61 16.265 -11.733 -11.733 471 1HG2 ILE 61 HG22 ILE 61 15.396 -13.719 -13.719 472 2HG2 ILE 61 HG21 ILE 61 17.006 -13.123 -13.123 473 3HG2 ILE 61 HG23 ILE 61 16.399 -14.596 -14.596 474 1HD1 ILE 61 HD11 ILE 61 17.117 -14.306 -14.306 475 2HD1 ILE 61 HD13 ILE 61 18.507 -13.313 -13.313 476 3HD1 ILE 61 HD12 ILE 61 17.845 -13.252 -13.252 477 H ASN 62 HN ASN 62 15.029 -12.020 -12.020 478 HA ASN 62 HA ASN 62 16.891 -9.719 -9.719 479 1HB ASN 62 HB2 ASN 62 18.095 -11.225 -11.225 480 2HB ASN 62 HB1 ASN 62 18.318 -11.617 -11.617 481 1HD2 ASN 62 HD21 ASN 62 15.161 -12.471 -12.471 482 2HD2 ASN 62 HD22 ASN 62 15.400 -14.104 -14.104 483 H ALA 63 HN ALA 63 14.736 -11.944 -11.944 484 HA ALA 63 HA ALA 63 14.442 -11.281 -11.281 485 1HB ALA 63 HB1 ALA 63 12.744 -12.348 -12.348 486 2HB ALA 63 HB3 ALA 63 11.925 -10.807 -10.807 487 3HB ALA 63 HB2 ALA 63 12.237 -11.842 -11.842 488 HA PRO 64 HA PRO 64 11.923 -6.952 -6.952 489 1HB PRO 64 HB2 PRO 64 14.560 -6.262 -6.262 490 2HB PRO 64 HB1 PRO 64 12.929 -5.715 -5.715 491 1HG PRO 64 HG2 PRO 64 14.356 -7.906 -7.906 492 2HG PRO 64 HG1 PRO 64 12.655 -7.493 -7.493 493 1HD PRO 64 HD2 PRO 64 13.517 -9.840 -9.840 494 2HD PRO 64 HD1 PRO 64 11.902 -9.141 -9.141 495 H ASP 65 HN ASP 65 11.868 -5.670 -5.670 496 HA ASP 65 HA ASP 65 14.265 -4.991 -4.991 497 1HB ASP 65 HB2 ASP 65 11.659 -6.216 -6.216 498 2HB ASP 65 HB1 ASP 65 12.691 -5.290 -5.290 499 H LYS 66 HN LYS 66 10.844 -4.482 -4.482 500 HA LYS 66 HA LYS 66 10.812 -1.792 -1.792 501 1HB LYS 66 HB2 LYS 66 8.860 -3.372 -3.372 502 2HB LYS 66 HB1 LYS 66 8.769 -3.195 -3.195 503 1HG LYS 66 HG2 LYS 66 7.233 -1.651 -1.651 504 2HG LYS 66 HG1 LYS 66 8.584 -0.710 -0.710 505 1HD LYS 66 HD2 LYS 66 9.397 -0.264 -0.264 506 2HD LYS 66 HD1 LYS 66 8.561 -1.647 -1.647 507 1HE LYS 66 HE2 LYS 66 7.546 0.629 0.629 508 2HE LYS 66 HE1 LYS 66 6.435 -0.557 -0.557 509 1HZ LYS 66 HZ3 LYS 66 7.862 1.074 1.074 510 2HZ LYS 66 HZ2 LYS 66 6.744 1.909 1.909 511 3HZ LYS 66 HZ1 LYS 66 6.236 0.592 0.592 512 H HIS 67 HN HIS 67 11.201 -3.352 -3.352 513 HA HIS 67 HA HIS 67 10.952 -0.853 -0.853 514 1HB HIS 67 HB2 HIS 67 11.419 -3.729 -3.729 515 2HB HIS 67 HB1 HIS 67 12.176 -2.596 -2.596 516 HD1 HIS 67 HD1 HIS 67 8.905 -1.938 -1.938 517 HD2 HIS 67 HD2 HIS 67 10.271 -2.874 -2.874 518 HE1 HIS 67 HE1 HIS 67 6.933 -1.636 -1.636 519 H HIS 68 HN HIS 68 13.290 -2.292 -2.292 520 HA HIS 68 HA HIS 68 15.626 -1.991 -1.991 521 1HB HIS 68 HB2 HIS 68 14.589 0.352 0.352 522 2HB HIS 68 HB1 HIS 68 15.079 0.697 0.697 523 HD1 HIS 68 HD1 HIS 68 17.249 1.905 1.905 524 HD2 HIS 68 HD2 HIS 68 17.114 -0.880 -0.880 525 HE1 HIS 68 HE1 HIS 68 19.478 2.052 2.052 526 H ILE 69 HN ILE 69 14.338 -2.913 -2.913 527 HA ILE 69 HA ILE 69 16.837 -2.806 -2.806 528 HB ILE 69 HB ILE 69 14.879 -0.889 -0.889 529 1HG1 ILE 69 HG12 ILE 69 17.290 -0.783 -0.783 530 2HG1 ILE 69 HG11 ILE 69 16.343 -0.372 -0.372 531 1HG2 ILE 69 HG22 ILE 69 13.495 -2.616 -2.616 532 2HG2 ILE 69 HG21 ILE 69 14.844 -3.009 -3.009 533 3HG2 ILE 69 HG23 ILE 69 14.093 -1.418 -1.418 534 1HD1 ILE 69 HD11 ILE 69 16.567 -2.945 -2.945 535 2HD1 ILE 69 HD13 ILE 69 17.941 -2.857 -2.857 536 3HD1 ILE 69 HD12 ILE 69 17.894 -1.859 -1.859 537 H THR 70 HN THR 70 16.877 -4.232 -4.232 538 HA THR 70 HA THR 70 14.981 -6.496 -6.496 539 HB THR 70 HB THR 70 17.066 -7.403 -7.403 540 HG1 THR 70 HG1 THR 70 16.802 -8.651 -8.651 541 1HG2 THR 70 HG23 THR 70 18.150 -5.256 -5.256 542 2HG2 THR 70 HG22 THR 70 19.156 -6.533 -6.533 543 3HG2 THR 70 HG21 THR 70 18.346 -5.395 -5.395 544 HA PRO 71 HA PRO 71 13.497 -5.537 -5.537 545 1HB PRO 71 HB2 PRO 71 13.522 -8.308 -8.308 546 2HB PRO 71 HB1 PRO 71 12.142 -7.291 -7.291 547 1HG PRO 71 HG2 PRO 71 12.978 -9.430 -9.430 548 2HG PRO 71 HG1 PRO 71 12.182 -8.006 -8.006 549 1HD PRO 71 HD2 PRO 71 15.110 -8.687 -8.687 550 2HD PRO 71 HD1 PRO 71 14.166 -7.920 -7.920 551 H LEU 72 HN LEU 72 16.642 -7.195 -7.195 552 HA LEU 72 HA LEU 72 16.869 -7.287 -7.287 553 1HB LEU 72 HB2 LEU 72 19.344 -6.291 -6.291 554 2HB LEU 72 HB1 LEU 72 19.090 -7.672 -7.672 555 HG LEU 72 HG LEU 72 19.827 -8.616 -8.616 556 1HD1 LEU 72 HD11 LEU 72 16.858 -8.752 -8.752 557 2HD1 LEU 72 HD13 LEU 72 17.610 -9.445 -9.445 558 3HD1 LEU 72 HD12 LEU 72 18.066 -10.007 -10.007 559 1HD2 LEU 72 HD22 LEU 72 18.055 -6.641 -6.641 560 2HD2 LEU 72 HD21 LEU 72 19.811 -6.669 -6.669 561 3HD2 LEU 72 HD23 LEU 72 18.931 -7.952 -7.952 562 H LEU 73 HN LEU 73 17.343 -4.556 -4.556 563 HA LEU 73 HA LEU 73 18.141 -2.749 -2.749 564 1HB LEU 73 HB2 LEU 73 16.960 -2.070 -2.070 565 2HB LEU 73 HB1 LEU 73 17.813 -0.968 -0.968 566 HG LEU 73 HG LEU 73 19.727 -2.745 -2.745 567 1HD1 LEU 73 HD11 LEU 73 17.825 -3.749 -3.749 568 2HD1 LEU 73 HD13 LEU 73 19.410 -3.442 -3.442 569 3HD1 LEU 73 HD12 LEU 73 19.249 -4.521 -4.521 570 1HD2 LEU 73 HD22 LEU 73 18.959 -0.706 -0.706 571 2HD2 LEU 73 HD21 LEU 73 20.229 -0.635 -0.635 572 3HD2 LEU 73 HD23 LEU 73 20.435 -1.652 -1.652 573 H SER 74 HN SER 74 15.095 -3.957 -3.957 574 HA SER 74 HA SER 74 13.447 -1.837 -1.837 575 1HB SER 74 HB2 SER 74 12.630 -3.753 -3.753 576 2HB SER 74 HB1 SER 74 12.837 -4.802 -4.802 577 HG SER 74 HG SER 74 11.140 -3.920 -3.920 578 H ALA 75 HN ALA 75 14.722 -4.688 -4.688 579 HA ALA 75 HA ALA 75 13.536 -3.918 -3.918 580 1HB ALA 75 HB3 ALA 75 15.732 -5.861 -5.861 581 2HB ALA 75 HB2 ALA 75 15.199 -5.602 -5.602 582 3HB ALA 75 HB1 ALA 75 14.070 -6.229 -6.229 583 H VAL 76 HN VAL 76 16.624 -3.291 -3.291 584 HA VAL 76 HA VAL 76 18.242 -2.426 -2.426 585 HB VAL 76 HB VAL 76 17.824 -1.323 -1.323 586 1HG1 VAL 76 HG13 VAL 76 18.949 0.269 0.269 587 2HG1 VAL 76 HG12 VAL 76 20.351 -0.707 -0.707 588 3HG1 VAL 76 HG11 VAL 76 19.510 0.218 0.218 589 1HG2 VAL 76 HG21 VAL 76 18.698 -3.619 -3.619 590 2HG2 VAL 76 HG23 VAL 76 19.927 -2.553 -2.553 591 3HG2 VAL 76 HG22 VAL 76 19.991 -3.009 -3.009 592 H TYR 77 HN TYR 77 16.220 -0.058 -0.058 593 HA TYR 77 HA TYR 77 16.352 1.820 1.820 594 1HB TYR 77 HB2 TYR 77 14.198 2.095 2.095 595 2HB TYR 77 HB1 TYR 77 15.356 3.293 3.293 596 HD1 TYR 77 HD2 TYR 77 17.725 3.257 3.257 597 HD2 TYR 77 HD1 TYR 77 14.669 0.732 0.732 598 HE1 TYR 77 HE2 TYR 77 19.143 2.843 2.843 599 HE2 TYR 77 HE1 TYR 77 16.090 0.324 0.324 600 HH TYR 77 HH TYR 77 18.532 2.116 2.116 601 H GLU 78 HN GLU 78 15.436 -0.598 -0.598 602 HA GLU 78 HA GLU 78 12.574 0.038 0.038 603 1HB GLU 78 HB2 GLU 78 13.096 -2.073 -2.073 604 2HB GLU 78 HB1 GLU 78 13.648 -2.774 -2.774 605 1HG GLU 78 HG2 GLU 78 11.376 -3.387 -3.387 606 2HG GLU 78 HG1 GLU 78 11.393 -1.988 -1.988 607 H GLY 79 HN GLY 79 15.684 -1.222 -1.222 608 1HA GLY 79 HA2 GLY 79 16.519 -0.961 -0.961 609 2HA GLY 79 HA1 GLY 79 14.863 -0.667 -0.667 610 H HIS 80 HN HIS 80 14.484 -3.067 -3.067 611 HA HIS 80 HA HIS 80 14.265 -5.113 -5.113 612 1HB HIS 80 HB2 HIS 80 13.507 -4.833 -4.833 613 2HB HIS 80 HB1 HIS 80 13.695 -6.466 -6.466 614 HD1 HIS 80 HD1 HIS 80 11.504 -7.349 -7.349 615 HD2 HIS 80 HD2 HIS 80 11.838 -3.258 -3.258 616 HE1 HIS 80 HE1 HIS 80 9.387 -6.663 -6.663 617 H VAL 81 HN VAL 81 15.840 -5.024 -5.024 618 HA VAL 81 HA VAL 81 17.592 -6.382 -6.382 619 HB VAL 81 HB VAL 81 19.721 -5.668 -5.668 620 1HG1 VAL 81 HG13 VAL 81 18.741 -4.823 -4.823 621 2HG1 VAL 81 HG12 VAL 81 18.114 -3.481 -3.481 622 3HG1 VAL 81 HG11 VAL 81 19.850 -3.768 -3.768 623 1HG2 VAL 81 HG21 VAL 81 18.308 -4.913 -4.913 624 2HG2 VAL 81 HG23 VAL 81 19.286 -3.608 -3.608 625 3HG2 VAL 81 HG22 VAL 81 17.572 -3.704 -3.704 626 H SER 82 HN SER 82 15.974 -7.623 -7.623 627 HA SER 82 HA SER 82 17.981 -9.469 -9.469 628 1HB SER 82 HB2 SER 82 15.111 -8.884 -8.884 629 2HB SER 82 HB1 SER 82 15.476 -10.607 -10.607 630 HG SER 82 HG SER 82 17.366 -9.330 -9.330 631 H CYS 83 HN CYS 83 16.004 -8.893 -8.893 632 HA CYS 83 HA CYS 83 15.902 -11.633 -11.633 633 1HB CYS 83 HB2 CYS 83 15.139 -10.115 -10.115 634 2HB CYS 83 HB1 CYS 83 14.046 -10.470 -10.470 635 HG CYS 83 HG CYS 83 15.666 -7.794 -7.794 636 H VAL 84 HN VAL 84 17.358 -8.532 -8.532 637 HA VAL 84 HA VAL 84 18.887 -9.367 -9.367 638 HB VAL 84 HB VAL 84 20.691 -7.828 -7.828 639 1HG1 VAL 84 HG12 VAL 84 18.558 -6.986 -6.986 640 2HG1 VAL 84 HG11 VAL 84 17.953 -6.691 -6.691 641 3HG1 VAL 84 HG13 VAL 84 19.359 -5.810 -5.810 642 1HG2 VAL 84 HG23 VAL 84 19.187 -8.014 -8.014 643 2HG2 VAL 84 HG22 VAL 84 20.920 -8.121 -8.121 644 3HG2 VAL 84 HG21 VAL 84 20.101 -6.566 -6.566 645 H LYS 85 HN LYS 85 19.757 -9.851 -9.851 646 HA LYS 85 HA LYS 85 22.199 -11.172 -11.172 647 1HB LYS 85 HB2 LYS 85 20.193 -10.901 -10.901 648 2HB LYS 85 HB1 LYS 85 20.796 -12.552 -12.552 649 1HG LYS 85 HG2 LYS 85 22.273 -11.392 -11.392 650 2HG LYS 85 HG1 LYS 85 23.161 -11.515 -11.515 651 1HD LYS 85 HD2 LYS 85 22.353 -9.223 -9.223 652 2HD LYS 85 HD1 LYS 85 21.603 -9.106 -9.106 653 1HE LYS 85 HE2 LYS 85 24.534 -9.234 -9.234 654 2HE LYS 85 HE1 LYS 85 23.691 -8.058 -8.058 655 1HZ LYS 85 HZ1 LYS 85 23.225 -9.929 -9.929 656 2HZ LYS 85 HZ3 LYS 85 24.280 -10.891 -10.891 657 3HZ LYS 85 HZ2 LYS 85 24.866 -9.505 -9.505 658 H LEU 86 HN LEU 86 19.130 -12.941 -12.941 659 HA LEU 86 HA LEU 86 20.132 -15.392 -15.392 660 1HB LEU 86 HB2 LEU 86 18.427 -16.076 -16.076 661 2HB LEU 86 HB1 LEU 86 17.836 -14.435 -14.435 662 HG LEU 86 HG LEU 86 16.087 -15.847 -15.847 663 1HD1 LEU 86 HD13 LEU 86 16.887 -13.519 -13.519 664 2HD1 LEU 86 HD12 LEU 86 16.533 -14.631 -14.631 665 3HD1 LEU 86 HD11 LEU 86 15.306 -14.290 -14.290 666 1HD2 LEU 86 HD22 LEU 86 18.208 -17.049 -17.049 667 2HD2 LEU 86 HD21 LEU 86 16.593 -17.658 -17.658 668 3HD2 LEU 86 HD23 LEU 86 16.856 -16.611 -16.611 669 H LEU 87 HN LEU 87 19.186 -12.574 -12.574 670 HA LEU 87 HA LEU 87 17.859 -13.786 -13.786 671 1HB LEU 87 HB2 LEU 87 18.132 -11.206 -11.206 672 2HB LEU 87 HB1 LEU 87 19.069 -11.173 -11.173 673 HG LEU 87 HG LEU 87 16.208 -12.159 -12.159 674 1HD1 LEU 87 HD13 LEU 87 17.433 -9.573 -9.573 675 2HD1 LEU 87 HD12 LEU 87 15.867 -10.106 -10.106 676 3HD1 LEU 87 HD11 LEU 87 16.088 -9.815 -9.815 677 1HD2 LEU 87 HD23 LEU 87 18.214 -12.097 -12.097 678 2HD2 LEU 87 HD22 LEU 87 17.041 -13.348 -13.348 679 3HD2 LEU 87 HD21 LEU 87 16.512 -11.865 -11.865 680 H LEU 88 HN LEU 88 21.037 -11.962 -11.962 681 HA LEU 88 HA LEU 88 21.755 -13.212 -13.212 682 1HB LEU 88 HB2 LEU 88 23.902 -12.256 -12.256 683 2HB LEU 88 HB1 LEU 88 22.814 -11.085 -11.085 684 HG LEU 88 HG LEU 88 24.734 -11.184 -11.184 685 1HD1 LEU 88 HD11 LEU 88 22.585 -11.176 -11.176 686 2HD1 LEU 88 HD13 LEU 88 22.623 -12.933 -12.933 687 3HD1 LEU 88 HD12 LEU 88 23.843 -11.985 -11.985 688 1HD2 LEU 88 HD21 LEU 88 25.144 -13.719 -13.719 689 2HD2 LEU 88 HD23 LEU 88 25.992 -13.027 -13.027 690 3HD2 LEU 88 HD22 LEU 88 24.592 -14.060 -14.060 691 H SER 89 HN SER 89 21.679 -14.485 -14.485 692 HA SER 89 HA SER 89 23.848 -16.310 -16.310 693 1HB SER 89 HB2 SER 89 22.549 -16.217 -16.217 694 2HB SER 89 HB1 SER 89 21.040 -16.428 -16.428 695 HG SER 89 HG SER 89 22.708 -18.479 -18.479 696 H LYS 90 HN LYS 90 21.289 -15.947 -15.947 697 HA LYS 90 HA LYS 90 21.511 -18.748 -18.748 698 1HB LYS 90 HB2 LYS 90 19.248 -18.439 -18.439 699 2HB LYS 90 HB1 LYS 90 19.289 -16.727 -16.727 700 1HG LYS 90 HG2 LYS 90 18.870 -17.092 -17.092 701 2HG LYS 90 HG1 LYS 90 19.810 -18.579 -18.579 702 1HD LYS 90 HD2 LYS 90 17.323 -18.909 -18.909 703 2HD LYS 90 HD1 LYS 90 18.038 -19.847 -19.847 704 1HE LYS 90 HE2 LYS 90 16.985 -17.144 -17.144 705 2HE LYS 90 HE1 LYS 90 15.801 -18.393 -18.393 706 1HZ LYS 90 HZ3 LYS 90 17.713 -19.571 -19.571 707 2HZ LYS 90 HZ2 LYS 90 17.340 -18.076 -18.076 708 3HZ LYS 90 HZ1 LYS 90 16.106 -19.200 -19.200 709 H GLY 91 HN GLY 91 21.905 -15.380 -15.380 710 1HA GLY 91 HA2 GLY 91 23.711 -15.378 -15.378 711 2HA GLY 91 HA1 GLY 91 22.226 -15.704 -15.704 712 H ALA 92 HN ALA 92 20.860 -14.033 -14.033 713 HA ALA 92 HA ALA 92 20.295 -11.782 -11.782 714 1HB ALA 92 HB1 ALA 92 19.986 -12.512 -12.512 715 2HB ALA 92 HB3 ALA 92 20.522 -10.834 -10.834 716 3HB ALA 92 HB2 ALA 92 19.069 -11.317 -11.317 717 H ASP 93 HN ASP 93 23.443 -12.406 -12.406 718 HA ASP 93 HA ASP 93 25.317 -10.970 -10.970 719 1HB ASP 93 HB2 ASP 93 23.630 -9.802 -9.802 720 2HB ASP 93 HB1 ASP 93 25.213 -9.168 -9.168 721 H LYS 94 HN LYS 94 24.370 -7.945 -7.945 722 HA LYS 94 HA LYS 94 22.818 -7.164 -7.164 723 1HB LYS 94 HB2 LYS 94 24.465 -5.919 -5.919 724 2HB LYS 94 HB1 LYS 94 25.025 -7.578 -7.578 725 1HG LYS 94 HG2 LYS 94 25.899 -5.460 -5.460 726 2HG LYS 94 HG1 LYS 94 26.720 -5.660 -5.660 727 1HD LYS 94 HD2 LYS 94 27.897 -7.379 -7.379 728 2HD LYS 94 HD1 LYS 94 26.406 -8.260 -8.260 729 1HE LYS 94 HE2 LYS 94 26.177 -7.162 -7.162 730 2HE LYS 94 HE1 LYS 94 27.604 -6.181 -6.181 731 1HZ LYS 94 HZ2 LYS 94 28.905 -8.229 -8.229 732 2HZ LYS 94 HZ1 LYS 94 27.525 -9.139 -9.139 733 3HZ LYS 94 HZ3 LYS 94 28.175 -8.056 -8.056 734 H THR 95 HN THR 95 24.762 -6.324 -6.324 735 HA THR 95 HA THR 95 23.099 -3.870 -3.870 736 HB THR 95 HB THR 95 26.008 -3.957 -3.957 737 HG1 THR 95 HG1 THR 95 26.589 -3.228 -3.228 738 1HG2 THR 95 HG22 THR 95 24.102 -2.204 -2.204 739 2HG2 THR 95 HG21 THR 95 24.546 -1.515 -1.515 740 3HG2 THR 95 HG23 THR 95 25.763 -1.697 -1.697 741 H VAL 96 HN VAL 96 22.742 -6.485 -6.485 742 HA VAL 96 HA VAL 96 23.914 -6.626 -6.626 743 HB VAL 96 HB VAL 96 22.026 -8.183 -8.183 744 1HG1 VAL 96 HG13 VAL 96 21.852 -8.288 -8.288 745 2HG1 VAL 96 HG12 VAL 96 21.155 -9.478 -9.478 746 3HG1 VAL 96 HG11 VAL 96 20.557 -7.820 -7.820 747 1HG2 VAL 96 HG22 VAL 96 24.444 -8.722 -8.722 748 2HG2 VAL 96 HG21 VAL 96 23.342 -10.035 -10.035 749 3HG2 VAL 96 HG23 VAL 96 24.029 -9.024 -9.024 750 H LYS 97 HN LYS 97 21.667 -4.476 -4.476 751 HA LYS 97 HA LYS 97 20.877 -3.754 -3.754 752 1HB LYS 97 HB2 LYS 97 19.311 -5.666 -5.666 753 2HB LYS 97 HB1 LYS 97 18.517 -4.316 -4.316 754 1HG LYS 97 HG2 LYS 97 17.368 -4.354 -4.354 755 2HG LYS 97 HG1 LYS 97 18.646 -3.194 -3.194 756 1HD LYS 97 HD2 LYS 97 19.985 -4.949 -4.949 757 2HD LYS 97 HD1 LYS 97 18.780 -6.160 -6.160 758 1HE LYS 97 HE2 LYS 97 17.126 -5.122 -5.122 759 2HE LYS 97 HE1 LYS 97 18.189 -3.750 -3.750 760 1HZ LYS 97 HZ1 LYS 97 19.795 -5.432 -5.432 761 2HZ LYS 97 HZ3 LYS 97 18.523 -6.555 -6.555 762 3HZ LYS 97 HZ2 LYS 97 18.390 -5.160 -5.160 763 H GLY 98 HN GLY 98 21.361 -2.859 -2.859 764 1HA GLY 98 HA2 GLY 98 19.557 -0.586 -0.586 765 2HA GLY 98 HA1 GLY 98 20.956 -0.827 -0.827 766 HA PRO 99 HA PRO 99 21.401 2.819 2.819 767 1HB PRO 99 HB2 PRO 99 22.642 3.761 3.761 768 2HB PRO 99 HB1 PRO 99 21.633 4.661 4.661 769 1HG PRO 99 HG2 PRO 99 20.697 3.675 3.675 770 2HG PRO 99 HG1 PRO 99 19.658 3.944 3.944 771 1HD PRO 99 HD2 PRO 99 20.490 1.393 1.393 772 2HD PRO 99 HD1 PRO 99 19.242 1.695 1.695 773 H ASP 100 HN ASP 100 23.771 2.341 2.341 774 HA ASP 100 HA ASP 100 25.648 1.027 1.027 775 1HB ASP 100 HB2 ASP 100 25.802 3.553 3.553 776 2HB ASP 100 HB1 ASP 100 26.442 3.705 3.705 777 H GLY 101 HN GLY 101 27.637 2.443 2.443 778 1HA GLY 101 HA2 GLY 101 27.837 0.245 0.245 779 2HA GLY 101 HA1 GLY 101 28.596 1.817 1.817 780 H LEU 102 HN LEU 102 25.363 2.422 2.422 781 HA LEU 102 HA LEU 102 24.885 3.334 3.334 782 1HB LEU 102 HB2 LEU 102 23.333 3.828 3.828 783 2HB LEU 102 HB1 LEU 102 22.687 2.199 2.199 784 HG LEU 102 HG LEU 102 22.834 4.116 4.116 785 1HD1 LEU 102 HD12 LEU 102 21.462 4.981 4.981 786 2HD1 LEU 102 HD11 LEU 102 20.324 3.710 3.710 787 3HD1 LEU 102 HD13 LEU 102 20.707 4.993 4.993 788 1HD2 LEU 102 HD23 LEU 102 21.586 1.470 1.470 789 2HD2 LEU 102 HD22 LEU 102 22.275 2.111 2.111 790 3HD2 LEU 102 HD21 LEU 102 20.662 2.596 2.596 791 H THR 103 HN THR 103 23.172 0.515 0.515 792 HA THR 103 HA THR 103 22.176 -1.160 -1.160 793 HB THR 103 HB THR 103 23.926 -2.475 -2.475 794 HG1 THR 103 HG1 THR 103 24.613 -3.573 -3.573 795 1HG2 THR 103 HG21 THR 103 25.811 -0.608 -0.608 796 2HG2 THR 103 HG23 THR 103 26.312 -2.028 -2.028 797 3HG2 THR 103 HG22 THR 103 25.554 -0.669 -0.669 798 H ALA 104 HN ALA 104 24.828 -1.262 -1.262 799 HA ALA 104 HA ALA 104 23.106 -0.288 -0.288 800 1HB ALA 104 HB2 ALA 104 25.610 -1.959 -1.959 801 2HB ALA 104 HB1 ALA 104 25.056 -1.295 -1.295 802 3HB ALA 104 HB3 ALA 104 24.032 -2.410 -2.410 803 H LEU 105 HN LEU 105 26.056 0.586 0.586 804 HA LEU 105 HA LEU 105 27.308 2.215 2.215 805 1HB LEU 105 HB2 LEU 105 27.204 2.834 2.834 806 2HB LEU 105 HB1 LEU 105 28.480 3.207 3.207 807 HG LEU 105 HG LEU 105 27.662 0.446 0.446 808 1HD1 LEU 105 HD12 LEU 105 29.055 1.964 1.964 809 2HD1 LEU 105 HD11 LEU 105 30.307 1.895 1.895 810 3HD1 LEU 105 HD13 LEU 105 29.801 0.421 0.421 811 1HD2 LEU 105 HD23 LEU 105 29.597 1.370 1.370 812 2HD2 LEU 105 HD22 LEU 105 28.295 0.190 0.190 813 3HD2 LEU 105 HD21 LEU 105 29.741 -0.207 -0.207 814 H GLU 106 HN GLU 106 25.443 3.639 3.639 815 HA GLU 106 HA GLU 106 25.241 6.129 6.129 816 1HB GLU 106 HB2 GLU 106 25.294 6.780 6.780 817 2HB GLU 106 HB1 GLU 106 24.778 5.211 5.211 818 1HG GLU 106 HG2 GLU 106 23.018 6.555 6.555 819 2HG GLU 106 HG1 GLU 106 22.400 5.987 5.987 820 H ALA 107 HN ALA 107 23.672 3.326 3.326 821 HA ALA 107 HA ALA 107 20.920 4.212 4.212 822 1HB ALA 107 HB1 ALA 107 22.388 1.795 1.795 823 2HB ALA 107 HB3 ALA 107 20.686 2.062 2.062 824 3HB ALA 107 HB2 ALA 107 21.216 1.887 1.887 825 H THR 108 HN THR 108 23.389 3.634 3.634 826 HA THR 108 HA THR 108 21.892 5.598 5.598 827 HB THR 108 HB THR 108 20.630 3.466 3.466 828 HG1 THR 108 HG1 THR 108 21.547 3.478 3.478 829 1HG2 THR 108 HG21 THR 108 22.966 2.222 2.222 830 2HG2 THR 108 HG23 THR 108 22.922 2.348 2.348 831 3HG2 THR 108 HG22 THR 108 21.632 1.508 1.508 832 H ASP 109 HN ASP 109 22.685 4.415 4.415 833 HA ASP 109 HA ASP 109 25.620 4.498 4.498 834 1HB ASP 109 HB2 ASP 109 24.840 6.852 6.852 835 2HB ASP 109 HB1 ASP 109 23.921 6.299 6.299 836 H ASN 110 HN ASN 110 22.735 3.102 3.102 837 HA ASN 110 HA ASN 110 23.584 2.310 2.310 838 1HB ASN 110 HB2 ASN 110 21.647 0.663 0.663 839 2HB ASN 110 HB1 ASN 110 21.197 2.354 2.354 840 1HD2 ASN 110 HD21 ASN 110 22.831 0.505 0.505 841 2HD2 ASN 110 HD22 ASN 110 21.553 0.542 0.542 842 H GLN 111 HN GLN 111 24.681 0.480 0.480 843 HA GLN 111 HA GLN 111 26.370 -0.603 -0.603 844 1HB GLN 111 HB2 GLN 111 27.302 -0.355 -0.355 845 2HB GLN 111 HB1 GLN 111 25.931 -1.101 -1.101 846 1HG GLN 111 HG2 GLN 111 26.588 -3.275 -3.275 847 2HG GLN 111 HG1 GLN 111 27.715 -2.654 -2.654 848 1HE2 GLN 111 HE21 GLN 111 28.627 -4.410 -4.410 849 2HE2 GLN 111 HE22 GLN 111 29.647 -3.535 -3.535 850 H ALA 112 HN ALA 112 23.200 -1.635 -1.635 851 HA ALA 112 HA ALA 112 23.796 -4.494 -4.494 852 1HB ALA 112 HB1 ALA 112 21.226 -2.921 -2.921 853 2HB ALA 112 HB3 ALA 112 21.266 -4.644 -4.644 854 3HB ALA 112 HB2 ALA 112 21.803 -4.064 -4.064 855 H ILE 113 HN ILE 113 22.623 -1.857 -1.857 856 HA ILE 113 HA ILE 113 22.117 -3.270 -3.270 857 HB ILE 113 HB ILE 113 22.624 -0.449 -0.449 858 1HG1 ILE 113 HG12 ILE 113 20.456 -0.173 -0.173 859 2HG1 ILE 113 HG11 ILE 113 20.383 -1.931 -1.931 860 1HG2 ILE 113 HG21 ILE 113 22.799 -1.448 -1.448 861 2HG2 ILE 113 HG23 ILE 113 22.284 0.202 0.202 862 3HG2 ILE 113 HG22 ILE 113 23.881 -0.347 -0.347 863 1HD1 ILE 113 HD12 ILE 113 20.908 -1.358 -1.358 864 2HD1 ILE 113 HD11 ILE 113 19.874 -0.014 -0.014 865 3HD1 ILE 113 HD13 ILE 113 19.309 -1.669 -1.669 866 H LYS 114 HN LYS 114 24.767 -1.216 -1.216 867 HA LYS 114 HA LYS 114 26.479 -1.613 -1.613 868 1HB LYS 114 HB2 LYS 114 27.651 -1.328 -1.328 869 2HB LYS 114 HB1 LYS 114 28.017 -0.426 -0.426 870 1HG LYS 114 HG2 LYS 114 25.402 0.277 0.277 871 2HG LYS 114 HG1 LYS 114 25.913 0.068 0.068 872 1HD LYS 114 HD2 LYS 114 26.323 2.357 2.357 873 2HD LYS 114 HD1 LYS 114 27.902 1.585 1.585 874 1HE LYS 114 HE2 LYS 114 26.489 1.489 1.489 875 2HE LYS 114 HE1 LYS 114 26.759 3.136 3.136 876 1HZ LYS 114 HZ3 LYS 114 29.105 1.914 1.914 877 2HZ LYS 114 HZ2 LYS 114 28.651 1.182 1.182 878 3HZ LYS 114 HZ1 LYS 114 28.793 2.872 2.872 879 H ALA 115 HN ALA 115 25.384 -3.834 -3.834 880 HA ALA 115 HA ALA 115 27.652 -5.583 -5.583 881 1HB ALA 115 HB1 ALA 115 25.448 -5.650 -5.650 882 2HB ALA 115 HB3 ALA 115 24.808 -6.577 -6.577 883 3HB ALA 115 HB2 ALA 115 26.199 -7.179 -7.179 884 H LEU 116 HN LEU 116 24.970 -5.163 -5.163 885 HA LEU 116 HA LEU 116 25.689 -7.515 -7.515 886 1HB LEU 116 HB2 LEU 116 23.764 -5.305 -5.305 887 2HB LEU 116 HB1 LEU 116 24.402 -5.882 -5.882 888 HG LEU 116 HG LEU 116 22.987 -7.525 -7.525 889 1HD1 LEU 116 HD12 LEU 116 22.358 -6.778 -6.778 890 2HD1 LEU 116 HD11 LEU 116 21.464 -7.992 -7.992 891 3HD1 LEU 116 HD13 LEU 116 21.465 -6.312 -6.312 892 1HD2 LEU 116 HD23 LEU 116 24.809 -8.345 -8.345 893 2HD2 LEU 116 HD22 LEU 116 24.366 -9.203 -9.203 894 3HD2 LEU 116 HD21 LEU 116 23.279 -9.225 -9.225 895 H LEU 117 HN LEU 117 26.962 -4.274 -4.274 896 HA LEU 117 HA LEU 117 28.163 -4.414 -4.414 897 1HB LEU 117 HB2 LEU 117 28.805 -2.252 -2.252 898 2HB LEU 117 HB1 LEU 117 27.639 -2.333 -2.333 899 HG LEU 117 HG LEU 117 29.686 -3.173 -3.173 900 1HD1 LEU 117 HD13 LEU 117 30.941 -2.609 -2.609 901 2HD1 LEU 117 HD12 LEU 117 31.502 -1.426 -1.426 902 3HD1 LEU 117 HD11 LEU 117 31.692 -3.145 -3.145 903 1HD2 LEU 117 HD22 LEU 117 28.370 -0.856 -0.856 904 2HD2 LEU 117 HD21 LEU 117 29.840 -1.022 -1.022 905 3HD2 LEU 117 HD23 LEU 117 29.907 -0.291 -0.291 906 H GLN 118 HN GLN 118 28.605 -6.174 -6.174 907 HA GLN 118 HA GLN 118 31.448 -6.232 -6.232 908 1HB GLN 118 HB2 GLN 118 31.077 -8.261 -8.261 909 2HB GLN 118 HB1 GLN 118 29.664 -7.260 -7.260 910 1HG GLN 118 HG2 GLN 118 28.680 -9.317 -9.317 911 2HG GLN 118 HG1 GLN 118 28.659 -8.502 -8.502 912 1HE2 GLN 118 HE21 GLN 118 29.109 -10.127 -10.127 913 2HE2 GLN 118 HE22 GLN 118 30.403 -11.220 -11.220 Start of MODEL 25 1 1H MET 1 HT3 MET 1 -8.514 -11.311 -11.311 2 2H MET 1 HT2 MET 1 -8.288 -12.705 -12.705 3 3H MET 1 HT1 MET 1 -9.134 -12.800 -12.800 4 HA MET 1 HA MET 1 -10.928 -11.492 -11.492 5 1HB MET 1 HB2 MET 1 -9.999 -13.795 -13.795 6 2HB MET 1 HB1 MET 1 -11.565 -13.016 -13.016 7 1HG MET 1 HG2 MET 1 -12.359 -13.699 -13.699 8 2HG MET 1 HG1 MET 1 -10.735 -13.981 -13.981 9 1HE MET 1 HE2 MET 1 -9.093 -15.626 -15.626 10 2HE MET 1 HE1 MET 1 -9.624 -17.305 -17.305 11 3HE MET 1 HE3 MET 1 -9.798 -16.272 -16.272 12 H CYS 2 HN CYS 2 -10.076 -12.396 -12.396 13 HA CYS 2 HA CYS 2 -10.250 -9.626 -9.626 14 1HB CYS 2 HB2 CYS 2 -11.043 -11.724 -11.724 15 2HB CYS 2 HB1 CYS 2 -9.346 -11.959 -11.959 16 HG CYS 2 HG CYS 2 -10.040 -9.140 -9.140 17 H ASP 3 HN ASP 3 -8.299 -9.055 -9.055 18 HA ASP 3 HA ASP 3 -5.672 -9.883 -9.883 19 1HB ASP 3 HB2 ASP 3 -6.666 -7.062 -7.062 20 2HB ASP 3 HB1 ASP 3 -4.992 -7.584 -7.584 21 H LYS 4 HN LYS 4 -7.691 -7.855 -7.855 22 HA LYS 4 HA LYS 4 -5.757 -6.697 -6.697 23 1HB LYS 4 HB2 LYS 4 -8.562 -7.668 -7.668 24 2HB LYS 4 HB1 LYS 4 -7.603 -6.659 -6.659 25 1HG LYS 4 HG2 LYS 4 -7.442 -4.922 -4.922 26 2HG LYS 4 HG1 LYS 4 -8.373 -5.932 -5.932 27 1HD LYS 4 HD2 LYS 4 -10.249 -5.914 -5.914 28 2HD LYS 4 HD1 LYS 4 -9.328 -4.730 -4.730 29 1HE LYS 4 HE2 LYS 4 -9.396 -3.141 -3.141 30 2HE LYS 4 HE1 LYS 4 -10.069 -4.342 -4.342 31 1HZ LYS 4 HZ1 LYS 4 -11.925 -4.476 -4.476 32 2HZ LYS 4 HZ3 LYS 4 -11.366 -2.941 -2.941 33 3HZ LYS 4 HZ2 LYS 4 -11.931 -3.204 -3.204 34 H GLU 5 HN GLU 5 -7.680 -9.623 -9.623 35 HA GLU 5 HA GLU 5 -6.289 -10.462 -10.462 36 1HB GLU 5 HB2 GLU 5 -8.307 -11.565 -11.565 37 2HB GLU 5 HB1 GLU 5 -7.118 -12.434 -12.434 38 1HG GLU 5 HG2 GLU 5 -6.084 -13.347 -13.347 39 2HG GLU 5 HG1 GLU 5 -7.200 -12.426 -12.426 40 H PHE 6 HN PHE 6 -5.210 -10.656 -10.656 41 HA PHE 6 HA PHE 6 -3.034 -12.488 -12.488 42 1HB PHE 6 HB2 PHE 6 -3.991 -12.015 -12.015 43 2HB PHE 6 HB1 PHE 6 -3.206 -10.436 -10.436 44 HD1 PHE 6 HD2 PHE 6 -2.340 -14.034 -14.034 45 HD2 PHE 6 HD1 PHE 6 -1.101 -10.271 -10.271 46 HE1 PHE 6 HE2 PHE 6 -0.212 -15.062 -15.062 47 HE2 PHE 6 HE1 PHE 6 1.027 -11.302 -11.302 48 HZ PHE 6 HZ PHE 6 1.473 -13.698 -13.698 49 H MET 7 HN MET 7 -2.742 -9.025 -9.025 50 HA MET 7 HA MET 7 -0.107 -8.758 -8.758 51 1HB MET 7 HB2 MET 7 -0.335 -6.455 -6.455 52 2HB MET 7 HB1 MET 7 -1.549 -7.113 -7.113 53 1HG MET 7 HG2 MET 7 -3.226 -6.834 -6.834 54 2HG MET 7 HG1 MET 7 -1.984 -5.898 -5.898 55 1HE MET 7 HE2 MET 7 -3.932 -6.573 -6.573 56 2HE MET 7 HE1 MET 7 -4.405 -5.022 -5.022 57 3HE MET 7 HE3 MET 7 -2.843 -5.743 -5.743 58 H TRP 8 HN TRP 8 -3.228 -8.254 -8.254 59 HA TRP 8 HA TRP 8 -2.387 -7.165 -7.165 60 1HB TRP 8 HB2 TRP 8 -4.763 -7.808 -7.808 61 2HB TRP 8 HB1 TRP 8 -4.403 -9.407 -9.407 62 HD1 TRP 8 HD1 TRP 8 -4.191 -9.667 -9.667 63 HE1 TRP 8 HE1 TRP 8 -4.844 -8.132 -8.132 64 HE3 TRP 8 HE3 TRP 8 -4.945 -5.286 -5.286 65 HZ2 TRP 8 HZ2 TRP 8 -5.587 -5.409 -5.409 66 HZ3 TRP 8 HZ3 TRP 8 -5.624 -3.239 -3.239 67 HH2 TRP 8 HH2 TRP 8 -5.945 -3.294 -3.294 68 H ALA 9 HN ALA 9 -1.780 -10.315 -10.315 69 HA ALA 9 HA ALA 9 -0.987 -11.426 -11.426 70 1HB ALA 9 HB2 ALA 9 -2.059 -12.879 -12.879 71 2HB ALA 9 HB1 ALA 9 -0.714 -12.590 -12.590 72 3HB ALA 9 HB3 ALA 9 -0.443 -13.453 -13.453 73 H LEU 10 HN LEU 10 0.714 -10.723 -10.723 74 HA LEU 10 HA LEU 10 3.329 -11.253 -11.253 75 1HB LEU 10 HB2 LEU 10 2.301 -9.075 -9.075 76 2HB LEU 10 HB1 LEU 10 4.012 -9.396 -9.396 77 HG LEU 10 HG LEU 10 3.050 -11.916 -11.916 78 1HD1 LEU 10 HD13 LEU 10 0.836 -10.866 -10.866 79 2HD1 LEU 10 HD12 LEU 10 1.650 -9.948 -9.948 80 3HD1 LEU 10 HD11 LEU 10 1.579 -11.709 -11.709 81 1HD2 LEU 10 HD23 LEU 10 4.273 -9.726 -9.726 82 2HD2 LEU 10 HD22 LEU 10 5.046 -11.163 -11.163 83 3HD2 LEU 10 HD21 LEU 10 3.934 -11.313 -11.313 84 H LYS 11 HN LYS 11 1.112 -8.869 -8.869 85 HA LYS 11 HA LYS 11 3.102 -6.981 -6.981 86 1HB LYS 11 HB2 LYS 11 1.134 -6.064 -6.064 87 2HB LYS 11 HB1 LYS 11 0.085 -7.035 -7.035 88 1HG LYS 11 HG2 LYS 11 0.640 -5.790 -5.790 89 2HG LYS 11 HG1 LYS 11 2.052 -5.069 -5.069 90 1HD LYS 11 HD2 LYS 11 0.425 -3.350 -3.350 91 2HD LYS 11 HD1 LYS 11 0.385 -4.047 -4.047 92 1HE LYS 11 HE2 LYS 11 -1.899 -3.812 -3.812 93 2HE LYS 11 HE1 LYS 11 -1.508 -5.529 -5.529 94 1HZ LYS 11 HZ1 LYS 11 -0.774 -4.796 -4.796 95 2HZ LYS 11 HZ3 LYS 11 -2.045 -3.703 -3.703 96 3HZ LYS 11 HZ2 LYS 11 -2.326 -5.375 -5.375 97 H ASN 12 HN ASN 12 0.219 -8.402 -8.402 98 HA ASN 12 HA ASN 12 1.382 -7.992 -7.992 99 1HB ASN 12 HB2 ASN 12 -1.028 -7.834 -7.834 100 2HB ASN 12 HB1 ASN 12 -1.078 -9.530 -9.530 101 1HD2 ASN 12 HD21 ASN 12 -0.541 -7.356 -7.356 102 2HD2 ASN 12 HD22 ASN 12 -0.764 -8.548 -8.548 103 H GLY 13 HN GLY 13 2.531 -10.025 -10.025 104 1HA GLY 13 HA2 GLY 13 3.735 -12.004 -12.004 105 2HA GLY 13 HA1 GLY 13 3.530 -11.838 -11.838 106 H ASP 14 HN ASP 14 0.606 -11.944 -11.944 107 HA ASP 14 HA ASP 14 -0.194 -14.374 -14.374 108 1HB ASP 14 HB2 ASP 14 -1.518 -13.466 -13.466 109 2HB ASP 14 HB1 ASP 14 -2.215 -14.182 -14.182 110 H LEU 15 HN LEU 15 2.123 -14.913 -14.913 111 HA LEU 15 HA LEU 15 2.686 -15.799 -15.799 112 1HB LEU 15 HB2 LEU 15 4.250 -15.775 -15.775 113 2HB LEU 15 HB1 LEU 15 3.365 -17.102 -17.102 114 HG LEU 15 HG LEU 15 5.519 -17.674 -17.674 115 1HD1 LEU 15 HD11 LEU 15 3.109 -19.068 -19.068 116 2HD1 LEU 15 HD13 LEU 15 3.577 -19.399 -19.399 117 3HD1 LEU 15 HD12 LEU 15 4.692 -19.757 -19.757 118 1HD2 LEU 15 HD22 LEU 15 4.806 -16.209 -16.209 119 2HD2 LEU 15 HD21 LEU 15 5.477 -17.798 -17.798 120 3HD2 LEU 15 HD23 LEU 15 3.736 -17.543 -17.543 121 H ASP 16 HN ASP 16 0.495 -17.207 -17.207 122 HA ASP 16 HA ASP 16 0.276 -19.815 -19.815 123 1HB ASP 16 HB2 ASP 16 -1.618 -18.113 -18.113 124 2HB ASP 16 HB1 ASP 16 -1.961 -19.781 -19.781 125 H GLU 17 HN GLU 17 -1.206 -16.714 -16.714 126 HA GLU 17 HA GLU 17 -3.215 -17.836 -17.836 127 1HB GLU 17 HB2 GLU 17 -2.231 -15.042 -15.042 128 2HB GLU 17 HB1 GLU 17 -3.412 -15.371 -15.371 129 1HG GLU 17 HG2 GLU 17 -4.881 -16.467 -16.467 130 2HG GLU 17 HG1 GLU 17 -3.710 -16.087 -16.087 131 H VAL 18 HN VAL 18 -0.094 -16.137 -16.137 132 HA VAL 18 HA VAL 18 -0.283 -16.313 -16.313 133 HB VAL 18 HB VAL 18 2.430 -16.303 -16.303 134 1HG1 VAL 18 HG11 VAL 18 0.892 -14.606 -14.606 135 2HG1 VAL 18 HG13 VAL 18 0.792 -13.802 -13.802 136 3HG1 VAL 18 HG12 VAL 18 2.353 -13.988 -13.988 137 1HG2 VAL 18 HG23 VAL 18 1.754 -16.487 -16.487 138 2HG2 VAL 18 HG22 VAL 18 2.949 -15.269 -15.269 139 3HG2 VAL 18 HG21 VAL 18 1.277 -14.793 -14.793 140 H LYS 19 HN LYS 19 0.753 -18.439 -18.439 141 HA LYS 19 HA LYS 19 2.253 -20.350 -20.350 142 1HB LYS 19 HB2 LYS 19 1.978 -20.256 -20.256 143 2HB LYS 19 HB1 LYS 19 0.328 -20.850 -20.850 144 1HG LYS 19 HG2 LYS 19 1.013 -22.992 -22.992 145 2HG LYS 19 HG1 LYS 19 2.481 -22.449 -22.449 146 1HD LYS 19 HD2 LYS 19 2.233 -22.037 -22.037 147 2HD LYS 19 HD1 LYS 19 2.634 -23.642 -23.642 148 1HE LYS 19 HE2 LYS 19 4.198 -21.505 -21.505 149 2HE LYS 19 HE1 LYS 19 4.466 -21.618 -21.618 150 1HZ LYS 19 HZ3 LYS 19 4.676 -24.104 -24.104 151 2HZ LYS 19 HZ2 LYS 19 4.861 -23.692 -23.692 152 3HZ LYS 19 HZ1 LYS 19 5.965 -23.114 -23.114 153 H ASP 20 HN ASP 20 -1.231 -19.990 -19.990 154 HA ASP 20 HA ASP 20 -1.944 -22.445 -22.445 155 1HB ASP 20 HB2 ASP 20 -3.373 -20.748 -20.748 156 2HB ASP 20 HB1 ASP 20 -3.704 -20.014 -20.014 157 H TYR 21 HN TYR 21 -1.382 -19.154 -19.154 158 HA TYR 21 HA TYR 21 -2.357 -19.495 -19.495 159 1HB TYR 21 HB2 TYR 21 -0.370 -17.655 -17.655 160 2HB TYR 21 HB1 TYR 21 -0.493 -17.673 -17.673 161 HD1 TYR 21 HD1 TYR 21 -2.689 -17.526 -17.526 162 HD2 TYR 21 HD2 TYR 21 -2.101 -16.325 -16.325 163 HE1 TYR 21 HE1 TYR 21 -4.725 -16.112 -16.112 164 HE2 TYR 21 HE2 TYR 21 -4.135 -14.914 -14.914 165 HH TYR 21 HH TYR 21 -6.448 -15.205 -15.205 166 H VAL 22 HN VAL 22 1.160 -19.541 -19.541 167 HA VAL 22 HA VAL 22 1.810 -20.739 -20.739 168 HB VAL 22 HB VAL 22 3.336 -19.505 -19.505 169 1HG1 VAL 22 HG13 VAL 22 3.110 -21.674 -21.674 170 2HG1 VAL 22 HG12 VAL 22 4.212 -22.386 -22.386 171 3HG1 VAL 22 HG11 VAL 22 4.728 -21.002 -21.002 172 1HG2 VAL 22 HG23 VAL 22 3.903 -19.913 -19.913 173 2HG2 VAL 22 HG22 VAL 22 5.273 -20.272 -20.272 174 3HG2 VAL 22 HG21 VAL 22 4.303 -21.587 -21.587 175 H ALA 23 HN ALA 23 0.414 -22.090 -22.090 176 HA ALA 23 HA ALA 23 1.503 -24.711 -24.711 177 1HB ALA 23 HB1 ALA 23 -0.239 -23.822 -23.822 178 2HB ALA 23 HB3 ALA 23 -1.437 -24.037 -24.037 179 3HB ALA 23 HB2 ALA 23 -0.582 -25.435 -25.435 180 H LYS 24 HN LYS 24 -0.648 -23.044 -23.044 181 HA LYS 24 HA LYS 24 -1.755 -25.214 -25.214 182 1HB LYS 24 HB2 LYS 24 -1.115 -22.358 -22.358 183 2HB LYS 24 HB1 LYS 24 -1.517 -23.419 -23.419 184 1HG LYS 24 HG2 LYS 24 -3.563 -22.392 -22.392 185 2HG LYS 24 HG1 LYS 24 -3.600 -24.090 -24.090 186 1HD LYS 24 HD2 LYS 24 -2.771 -23.456 -23.456 187 2HD LYS 24 HD1 LYS 24 -2.816 -21.760 -21.760 188 1HE LYS 24 HE2 LYS 24 -5.266 -23.505 -23.505 189 2HE LYS 24 HE1 LYS 24 -4.857 -22.711 -22.711 190 1HZ LYS 24 HZ3 LYS 24 -4.654 -20.624 -20.624 191 2HZ LYS 24 HZ2 LYS 24 -5.571 -21.501 -21.501 192 3HZ LYS 24 HZ1 LYS 24 -6.203 -21.177 -21.177 193 H GLY 25 HN GLY 25 0.755 -23.213 -23.213 194 1HA GLY 25 HA2 GLY 25 2.687 -25.322 -25.322 195 2HA GLY 25 HA1 GLY 25 1.742 -25.213 -25.213 196 H GLU 26 HN GLU 26 4.094 -23.642 -23.642 197 HA GLU 26 HA GLU 26 5.284 -21.619 -21.619 198 1HB GLU 26 HB2 GLU 26 6.490 -21.743 -21.743 199 2HB GLU 26 HB1 GLU 26 6.798 -22.993 -22.993 200 1HG GLU 26 HG2 GLU 26 5.175 -24.474 -24.474 201 2HG GLU 26 HG1 GLU 26 4.797 -23.215 -23.215 202 H ASP 27 HN ASP 27 4.140 -19.778 -19.778 203 HA ASP 27 HA ASP 27 3.363 -18.706 -18.706 204 1HB ASP 27 HB2 ASP 27 1.516 -18.983 -18.983 205 2HB ASP 27 HB1 ASP 27 1.228 -17.808 -17.808 206 H VAL 28 HN VAL 28 5.551 -18.209 -18.209 207 HA VAL 28 HA VAL 28 4.851 -15.612 -15.612 208 HB VAL 28 HB VAL 28 7.213 -15.731 -15.731 209 1HG1 VAL 28 HG11 VAL 28 5.313 -18.041 -18.041 210 2HG1 VAL 28 HG13 VAL 28 6.730 -17.727 -17.727 211 3HG1 VAL 28 HG12 VAL 28 5.427 -16.541 -16.541 212 1HG2 VAL 28 HG21 VAL 28 7.766 -17.364 -17.364 213 2HG2 VAL 28 HG23 VAL 28 8.619 -17.513 -17.513 214 3HG2 VAL 28 HG22 VAL 28 7.281 -18.600 -18.600 215 H ASN 29 HN ASN 29 4.480 -14.700 -14.700 216 HA ASN 29 HA ASN 29 6.685 -13.079 -13.079 217 1HB ASN 29 HB2 ASN 29 6.642 -14.103 -14.103 218 2HB ASN 29 HB1 ASN 29 7.648 -14.857 -14.857 219 1HD2 ASN 29 HD21 ASN 29 6.609 -16.760 -16.760 220 2HD2 ASN 29 HD22 ASN 29 5.506 -17.722 -17.722 221 H ARG 30 HN ARG 30 3.740 -13.167 -13.167 222 HA ARG 30 HA ARG 30 2.622 -11.932 -11.932 223 1HB ARG 30 HB2 ARG 30 1.125 -12.673 -12.673 224 2HB ARG 30 HB1 ARG 30 0.447 -12.320 -12.320 225 1HG ARG 30 HG2 ARG 30 1.416 -14.345 -14.345 226 2HG ARG 30 HG1 ARG 30 2.270 -14.671 -14.671 227 1HD ARG 30 HD2 ARG 30 0.449 -15.644 -15.644 228 2HD ARG 30 HD1 ARG 30 -0.584 -14.286 -14.286 229 HE ARG 30 HE ARG 30 -0.520 -16.837 -16.837 230 1HH1 ARG 30 HH21 ARG 30 -0.421 -13.480 -13.480 231 2HH1 ARG 30 HH22 ARG 30 -1.002 -13.720 -13.720 232 1HH2 ARG 30 HH11 ARG 30 -1.281 -17.157 -17.157 233 2HH2 ARG 30 HH12 ARG 30 -1.494 -15.794 -15.794 234 H THR 31 HN THR 31 2.370 -9.712 -9.712 235 HA THR 31 HA THR 31 3.483 -8.093 -8.093 236 HB THR 31 HB THR 31 1.133 -7.337 -7.337 237 HG1 THR 31 HG1 THR 31 3.574 -6.447 -6.447 238 1HG2 THR 31 HG21 THR 31 3.106 -5.803 -5.803 239 2HG2 THR 31 HG23 THR 31 2.354 -5.056 -5.056 240 3HG2 THR 31 HG22 THR 31 1.351 -5.633 -5.633 241 H LEU 32 HN LEU 32 2.469 -6.823 -6.823 242 HA LEU 32 HA LEU 32 0.715 -8.312 -8.312 243 1HB LEU 32 HB2 LEU 32 2.367 -6.270 -6.270 244 2HB LEU 32 HB1 LEU 32 0.880 -5.337 -5.337 245 HG LEU 32 HG LEU 32 0.035 -7.376 -7.376 246 1HD1 LEU 32 HD12 LEU 32 2.526 -8.075 -8.075 247 2HD1 LEU 32 HD11 LEU 32 2.780 -6.649 -6.649 248 3HD1 LEU 32 HD13 LEU 32 1.709 -7.939 -7.939 249 1HD2 LEU 32 HD23 LEU 32 -0.264 -4.906 -4.906 250 2HD2 LEU 32 HD22 LEU 32 0.139 -5.728 -5.728 251 3HD2 LEU 32 HD21 LEU 32 1.377 -4.819 -4.819 252 H GLU 33 HN GLU 33 -0.826 -5.711 -5.711 253 HA GLU 33 HA GLU 33 -3.288 -6.454 -6.454 254 1HB GLU 33 HB2 GLU 33 -3.707 -5.306 -5.306 255 2HB GLU 33 HB1 GLU 33 -2.267 -4.310 -4.310 256 1HG GLU 33 HG2 GLU 33 -4.345 -2.975 -2.975 257 2HG GLU 33 HG1 GLU 33 -3.393 -2.903 -2.903 258 H GLY 34 HN GLY 34 -0.750 -4.212 -4.212 259 1HA GLY 34 HA2 GLY 34 -2.013 -4.025 -4.025 260 2HA GLY 34 HA1 GLY 34 -2.044 -2.504 -2.504 261 H GLY 35 HN GLY 35 0.248 -2.001 -2.001 262 1HA GLY 35 HA2 GLY 35 2.410 -2.819 -2.819 263 2HA GLY 35 HA1 GLY 35 2.064 -1.102 -1.102 264 H ARG 36 HN ARG 36 2.372 -3.824 -3.824 265 HA ARG 36 HA ARG 36 4.417 -2.146 -2.146 266 1HB ARG 36 HB2 ARG 36 2.637 -4.106 -4.106 267 2HB ARG 36 HB1 ARG 36 3.588 -2.788 -2.788 268 1HG ARG 36 HG2 ARG 36 1.228 -2.369 -2.369 269 2HG ARG 36 HG1 ARG 36 1.118 -2.321 -2.321 270 1HD ARG 36 HD2 ARG 36 2.848 -0.518 -0.518 271 2HD ARG 36 HD1 ARG 36 2.809 -0.511 -0.511 272 HE ARG 36 HE ARG 36 0.149 -0.193 -0.193 273 1HH1 ARG 36 HH21 ARG 36 3.168 1.369 1.369 274 2HH1 ARG 36 HH22 ARG 36 2.464 2.936 2.936 275 1HH2 ARG 36 HH11 ARG 36 -0.786 1.838 1.838 276 2HH2 ARG 36 HH12 ARG 36 0.225 3.200 3.200 277 H LYS 37 HN LYS 37 4.995 -4.194 -4.194 278 HA LYS 37 HA LYS 37 6.145 -6.398 -6.398 279 1HB LYS 37 HB2 LYS 37 7.869 -4.713 -4.713 280 2HB LYS 37 HB1 LYS 37 7.573 -4.475 -4.475 281 1HG LYS 37 HG2 LYS 37 9.640 -5.873 -5.873 282 2HG LYS 37 HG1 LYS 37 8.634 -6.470 -6.470 283 1HD LYS 37 HD2 LYS 37 9.225 -8.271 -8.271 284 2HD LYS 37 HD1 LYS 37 7.489 -7.989 -7.989 285 1HE LYS 37 HE2 LYS 37 8.044 -6.370 -6.370 286 2HE LYS 37 HE1 LYS 37 9.531 -7.311 -7.311 287 1HZ LYS 37 HZ3 LYS 37 7.372 -9.060 -9.060 288 2HZ LYS 37 HZ2 LYS 37 6.997 -7.990 -7.990 289 3HZ LYS 37 HZ1 LYS 37 8.420 -8.916 -8.916 290 HA PRO 38 HA PRO 38 4.287 -8.245 -8.245 291 1HB PRO 38 HB2 PRO 38 4.832 -10.866 -10.866 292 2HB PRO 38 HB1 PRO 38 3.267 -10.054 -10.054 293 1HG PRO 38 HG2 PRO 38 4.791 -10.535 -10.535 294 2HG PRO 38 HG1 PRO 38 3.214 -9.751 -9.751 295 1HD PRO 38 HD2 PRO 38 5.744 -8.518 -8.518 296 2HD PRO 38 HD1 PRO 38 4.171 -7.716 -7.716 297 H LEU 39 HN LEU 39 7.226 -7.531 -7.531 298 HA LEU 39 HA LEU 39 8.316 -9.605 -9.605 299 1HB LEU 39 HB2 LEU 39 9.250 -9.609 -9.609 300 2HB LEU 39 HB1 LEU 39 10.044 -8.105 -8.105 301 HG LEU 39 HG LEU 39 11.641 -9.177 -9.177 302 1HD1 LEU 39 HD13 LEU 39 9.600 -11.223 -11.223 303 2HD1 LEU 39 HD12 LEU 39 11.275 -11.146 -11.146 304 3HD1 LEU 39 HD11 LEU 39 10.173 -9.834 -9.834 305 1HD2 LEU 39 HD23 LEU 39 11.425 -10.428 -10.428 306 2HD2 LEU 39 HD22 LEU 39 12.277 -11.288 -11.288 307 3HD2 LEU 39 HD21 LEU 39 10.603 -11.697 -11.697 308 H HIS 40 HN HIS 40 7.871 -6.305 -6.305 309 HA HIS 40 HA HIS 40 9.770 -5.142 -5.142 310 1HB HIS 40 HB2 HIS 40 8.930 -3.827 -3.827 311 2HB HIS 40 HB1 HIS 40 7.273 -4.025 -4.025 312 HD1 HIS 40 HD1 HIS 40 6.478 -2.537 -2.537 313 HD2 HIS 40 HD2 HIS 40 10.527 -2.046 -2.046 314 HE1 HIS 40 HE1 HIS 40 7.241 -0.495 -0.495 315 H TYR 41 HN TYR 41 6.307 -5.936 -5.936 316 HA TYR 41 HA TYR 41 5.797 -4.928 -4.928 317 1HB TYR 41 HB2 TYR 41 4.406 -7.255 -7.255 318 2HB TYR 41 HB1 TYR 41 3.741 -6.167 -6.167 319 HD1 TYR 41 HD1 TYR 41 4.946 -6.376 -6.376 320 HD2 TYR 41 HD2 TYR 41 2.816 -4.066 -4.066 321 HE1 TYR 41 HE1 TYR 41 4.166 -4.834 -4.834 322 HE2 TYR 41 HE2 TYR 41 2.042 -2.528 -2.528 323 HH TYR 41 HH TYR 41 2.863 -1.833 -1.833 324 H ALA 42 HN ALA 42 6.638 -8.111 -8.111 325 HA ALA 42 HA ALA 42 6.707 -9.481 -9.481 326 1HB ALA 42 HB2 ALA 42 6.741 -10.440 -10.440 327 2HB ALA 42 HB1 ALA 42 8.484 -10.186 -10.186 328 3HB ALA 42 HB3 ALA 42 7.684 -11.269 -11.269 329 H ALA 43 HN ALA 43 9.325 -8.212 -8.212 330 HA ALA 43 HA ALA 43 11.407 -8.555 -8.555 331 1HB ALA 43 HB1 ALA 43 11.084 -6.413 -6.413 332 2HB ALA 43 HB3 ALA 43 12.599 -6.840 -6.840 333 3HB ALA 43 HB2 ALA 43 11.794 -8.007 -8.007 334 H ASP 44 HN ASP 44 9.665 -5.539 -5.539 335 HA ASP 44 HA ASP 44 10.665 -3.993 -3.993 336 1HB ASP 44 HB2 ASP 44 9.423 -3.193 -3.193 337 2HB ASP 44 HB1 ASP 44 7.934 -3.635 -3.635 338 H CYS 45 HN CYS 45 8.061 -6.368 -6.368 339 HA CYS 45 HA CYS 45 7.900 -6.106 -6.106 340 1HB CYS 45 HB2 CYS 45 5.709 -5.064 -5.064 341 2HB CYS 45 HB1 CYS 45 5.329 -5.691 -5.691 342 HG CYS 45 HG CYS 45 7.035 -3.866 -3.866 343 H GLY 46 HN GLY 46 8.614 -8.349 -8.349 344 1HA GLY 46 HA2 GLY 46 6.113 -10.015 -10.015 345 2HA GLY 46 HA1 GLY 46 7.591 -10.393 -10.393 346 H GLN 47 HN GLN 47 7.728 -9.306 -9.306 347 HA GLN 47 HA GLN 47 8.636 -10.447 -10.447 348 1HB GLN 47 HB2 GLN 47 6.848 -12.538 -12.538 349 2HB GLN 47 HB1 GLN 47 7.743 -12.873 -12.873 350 1HG GLN 47 HG2 GLN 47 5.369 -12.041 -12.041 351 2HG GLN 47 HG1 GLN 47 6.606 -11.122 -11.122 352 1HE2 GLN 47 HE21 GLN 47 5.357 -11.046 -11.046 353 2HE2 GLN 47 HE22 GLN 47 5.068 -9.373 -9.373 354 H LEU 48 HN LEU 48 9.622 -10.747 -10.747 355 HA LEU 48 HA LEU 48 11.523 -11.522 -11.522 356 1HB LEU 48 HB2 LEU 48 12.221 -12.288 -12.288 357 2HB LEU 48 HB1 LEU 48 13.305 -12.517 -12.517 358 HG LEU 48 HG LEU 48 14.018 -10.411 -10.411 359 1HD1 LEU 48 HD12 LEU 48 11.195 -9.583 -9.583 360 2HD1 LEU 48 HD11 LEU 48 12.597 -8.514 -8.514 361 3HD1 LEU 48 HD13 LEU 48 12.520 -9.842 -9.842 362 1HD2 LEU 48 HD21 LEU 48 11.636 -10.054 -10.054 363 2HD2 LEU 48 HD23 LEU 48 13.274 -10.488 -10.488 364 3HD2 LEU 48 HD22 LEU 48 12.943 -8.882 -8.882 365 H GLU 49 HN GLU 49 9.211 -13.454 -13.454 366 HA GLU 49 HA GLU 49 10.525 -15.995 -15.995 367 1HB GLU 49 HB2 GLU 49 7.667 -15.652 -15.652 368 2HB GLU 49 HB1 GLU 49 8.675 -17.083 -17.083 369 1HG GLU 49 HG2 GLU 49 10.132 -15.862 -15.862 370 2HG GLU 49 HG1 GLU 49 8.969 -14.536 -14.536 371 H ILE 50 HN ILE 50 7.984 -13.792 -13.792 372 HA ILE 50 HA ILE 50 6.852 -15.299 -15.299 373 HB ILE 50 HB ILE 50 7.050 -12.306 -12.306 374 1HG1 ILE 50 HG12 ILE 50 5.719 -14.321 -14.321 375 2HG1 ILE 50 HG11 ILE 50 5.766 -12.583 -12.583 376 1HG2 ILE 50 HG21 ILE 50 6.346 -13.190 -13.190 377 2HG2 ILE 50 HG23 ILE 50 4.957 -13.936 -13.936 378 3HG2 ILE 50 HG22 ILE 50 5.147 -12.185 -12.185 379 1HD1 ILE 50 HD11 ILE 50 3.885 -13.837 -13.837 380 2HD1 ILE 50 HD13 ILE 50 3.460 -13.700 -13.700 381 3HD1 ILE 50 HD12 ILE 50 3.790 -12.245 -12.245 382 H LEU 51 HN LEU 51 9.536 -12.965 -12.965 383 HA LEU 51 HA LEU 51 9.699 -12.923 -12.923 384 1HB LEU 51 HB2 LEU 51 12.329 -12.545 -12.545 385 2HB LEU 51 HB1 LEU 51 11.133 -11.269 -11.269 386 HG LEU 51 HG LEU 51 12.398 -11.060 -11.060 387 1HD1 LEU 51 HD11 LEU 51 9.598 -11.140 -11.140 388 2HD1 LEU 51 HD13 LEU 51 10.012 -11.984 -11.984 389 3HD1 LEU 51 HD12 LEU 51 10.590 -10.343 -10.343 390 1HD2 LEU 51 HD22 LEU 51 12.814 -13.617 -13.617 391 2HD2 LEU 51 HD21 LEU 51 12.698 -12.740 -12.740 392 3HD2 LEU 51 HD23 LEU 51 11.320 -13.676 -13.676 393 H GLU 52 HN GLU 52 11.618 -14.928 -14.928 394 HA GLU 52 HA GLU 52 12.975 -16.453 -16.453 395 1HB GLU 52 HB2 GLU 52 11.832 -17.741 -17.741 396 2HB GLU 52 HB1 GLU 52 13.347 -18.097 -18.097 397 1HG GLU 52 HG2 GLU 52 14.217 -15.875 -15.875 398 2HG GLU 52 HG1 GLU 52 12.715 -15.587 -15.587 399 H PHE 53 HN PHE 53 9.642 -16.712 -16.712 400 HA PHE 53 HA PHE 53 9.011 -19.271 -19.271 401 1HB PHE 53 HB2 PHE 53 7.436 -18.282 -18.282 402 2HB PHE 53 HB1 PHE 53 7.377 -16.797 -16.797 403 HD1 PHE 53 HD1 PHE 53 6.535 -20.445 -20.445 404 HD2 PHE 53 HD2 PHE 53 5.744 -16.494 -16.494 405 HE1 PHE 53 HE1 PHE 53 4.565 -21.294 -21.294 406 HE2 PHE 53 HE2 PHE 53 3.793 -17.343 -17.343 407 HZ PHE 53 HZ PHE 53 3.192 -19.731 -19.731 408 H LEU 54 HN LEU 54 7.548 -16.460 -16.460 409 HA LEU 54 HA LEU 54 7.373 -17.900 -17.900 410 1HB LEU 54 HB2 LEU 54 7.124 -15.501 -15.501 411 2HB LEU 54 HB1 LEU 54 5.875 -16.170 -16.170 412 HG LEU 54 HG LEU 54 6.439 -14.782 -14.782 413 1HD1 LEU 54 HD11 LEU 54 9.096 -14.460 -14.460 414 2HD1 LEU 54 HD13 LEU 54 8.558 -13.319 -13.319 415 3HD1 LEU 54 HD12 LEU 54 8.770 -15.021 -15.021 416 1HD2 LEU 54 HD22 LEU 54 5.418 -13.568 -13.568 417 2HD2 LEU 54 HD21 LEU 54 6.487 -12.521 -12.521 418 3HD2 LEU 54 HD23 LEU 54 7.027 -13.183 -13.183 419 H LEU 55 HN LEU 55 10.117 -16.336 -16.336 420 HA LEU 55 HA LEU 55 11.423 -15.900 -15.900 421 1HB LEU 55 HB2 LEU 55 11.887 -14.707 -14.707 422 2HB LEU 55 HB1 LEU 55 12.918 -16.100 -16.100 423 HG LEU 55 HG LEU 55 13.135 -14.273 -14.273 424 1HD1 LEU 55 HD11 LEU 55 14.633 -14.455 -14.455 425 2HD1 LEU 55 HD13 LEU 55 15.348 -13.706 -13.706 426 3HD1 LEU 55 HD12 LEU 55 13.877 -13.034 -13.034 427 1HD2 LEU 55 HD23 LEU 55 14.517 -16.792 -16.792 428 2HD2 LEU 55 HD22 LEU 55 14.106 -16.243 -16.243 429 3HD2 LEU 55 HD21 LEU 55 15.488 -15.545 -15.545 430 H LEU 56 HN LEU 56 11.576 -18.370 -18.370 431 HA LEU 56 HA LEU 56 13.700 -19.858 -19.858 432 1HB LEU 56 HB2 LEU 56 13.325 -21.541 -21.541 433 2HB LEU 56 HB1 LEU 56 12.728 -20.104 -20.104 434 HG LEU 56 HG LEU 56 10.438 -20.859 -20.859 435 1HD1 LEU 56 HD13 LEU 56 11.892 -22.894 -22.894 436 2HD1 LEU 56 HD12 LEU 56 11.598 -23.542 -23.542 437 3HD1 LEU 56 HD11 LEU 56 10.240 -23.166 -23.166 438 1HD2 LEU 56 HD21 LEU 56 10.903 -20.529 -20.529 439 2HD2 LEU 56 HD23 LEU 56 9.813 -21.874 -21.874 440 3HD2 LEU 56 HD22 LEU 56 11.505 -22.185 -22.185 441 H LYS 57 HN LYS 57 10.315 -19.631 -19.631 442 HA LYS 57 HA LYS 57 10.136 -22.009 -22.009 443 1HB LYS 57 HB2 LYS 57 8.451 -19.508 -19.508 444 2HB LYS 57 HB1 LYS 57 8.079 -20.735 -20.735 445 1HG LYS 57 HG2 LYS 57 8.542 -21.634 -21.634 446 2HG LYS 57 HG1 LYS 57 7.005 -20.860 -20.860 447 1HD LYS 57 HD2 LYS 57 6.378 -22.539 -22.539 448 2HD LYS 57 HD1 LYS 57 8.043 -23.040 -23.040 449 1HE LYS 57 HE2 LYS 57 6.535 -24.556 -24.556 450 2HE LYS 57 HE1 LYS 57 8.182 -24.221 -24.221 451 1HZ LYS 57 HZ1 LYS 57 7.262 -22.354 -22.354 452 2HZ LYS 57 HZ3 LYS 57 5.699 -22.881 -22.881 453 3HZ LYS 57 HZ2 LYS 57 6.726 -23.883 -23.883 454 H GLY 58 HN GLY 58 9.079 -19.255 -19.255 455 1HA GLY 58 HA2 GLY 58 11.060 -19.634 -19.634 456 2HA GLY 58 HA1 GLY 58 9.909 -18.290 -18.290 457 H ALA 59 HN ALA 59 10.969 -16.332 -16.332 458 HA ALA 59 HA ALA 59 12.554 -15.754 -15.754 459 1HB ALA 59 HB1 ALA 59 14.158 -16.740 -16.740 460 2HB ALA 59 HB3 ALA 59 14.832 -15.510 -15.510 461 3HB ALA 59 HB2 ALA 59 14.368 -17.085 -17.085 462 H ASP 60 HN ASP 60 11.076 -13.983 -13.983 463 HA ASP 60 HA ASP 60 11.454 -12.167 -12.167 464 1HB ASP 60 HB2 ASP 60 9.351 -12.501 -12.501 465 2HB ASP 60 HB1 ASP 60 10.187 -11.459 -11.459 466 H ILE 61 HN ILE 61 13.392 -13.078 -13.078 467 HA ILE 61 HA ILE 61 14.388 -10.890 -10.890 468 HB ILE 61 HB ILE 61 15.033 -13.340 -13.340 469 1HG1 ILE 61 HG12 ILE 61 17.188 -11.214 -11.214 470 2HG1 ILE 61 HG11 ILE 61 16.346 -11.792 -11.792 471 1HG2 ILE 61 HG23 ILE 61 15.450 -13.339 -13.339 472 2HG2 ILE 61 HG22 ILE 61 17.033 -12.683 -12.683 473 3HG2 ILE 61 HG21 ILE 61 16.551 -14.268 -14.268 474 1HD1 ILE 61 HD12 ILE 61 17.346 -14.141 -14.141 475 2HD1 ILE 61 HD11 ILE 61 18.587 -13.036 -13.036 476 3HD1 ILE 61 HD13 ILE 61 18.206 -13.101 -13.101 477 H ASN 62 HN ASN 62 14.698 -11.646 -11.646 478 HA ASN 62 HA ASN 62 16.411 -9.234 -9.234 479 1HB ASN 62 HB2 ASN 62 17.626 -10.435 -10.435 480 2HB ASN 62 HB1 ASN 62 17.848 -11.196 -11.196 481 1HD2 ASN 62 HD21 ASN 62 15.093 -12.388 -12.388 482 2HD2 ASN 62 HD22 ASN 62 15.150 -13.663 -13.663 483 H ALA 63 HN ALA 63 13.968 -11.343 -11.343 484 HA ALA 63 HA ALA 63 13.322 -10.792 -10.792 485 1HB ALA 63 HB2 ALA 63 11.450 -10.368 -10.368 486 2HB ALA 63 HB1 ALA 63 10.926 -10.447 -10.447 487 3HB ALA 63 HB3 ALA 63 11.712 -11.837 -11.837 488 HA PRO 64 HA PRO 64 11.495 -6.165 -6.165 489 1HB PRO 64 HB2 PRO 64 14.330 -5.738 -5.738 490 2HB PRO 64 HB1 PRO 64 12.847 -4.944 -4.944 491 1HG PRO 64 HG2 PRO 64 14.094 -7.162 -7.162 492 2HG PRO 64 HG1 PRO 64 12.447 -6.597 -6.597 493 1HD PRO 64 HD2 PRO 64 13.148 -9.083 -9.083 494 2HD PRO 64 HD1 PRO 64 11.528 -8.351 -8.351 495 H ASP 65 HN ASP 65 11.415 -4.932 -4.932 496 HA ASP 65 HA ASP 65 13.700 -4.663 -4.663 497 1HB ASP 65 HB2 ASP 65 10.864 -5.528 -5.528 498 2HB ASP 65 HB1 ASP 65 11.843 -4.748 -4.748 499 H LYS 66 HN LYS 66 10.407 -3.590 -3.590 500 HA LYS 66 HA LYS 66 10.912 -0.889 -0.889 501 1HB LYS 66 HB2 LYS 66 8.743 -1.914 -1.914 502 2HB LYS 66 HB1 LYS 66 8.507 -2.165 -2.165 503 1HG LYS 66 HG2 LYS 66 7.332 -0.176 -0.176 504 2HG LYS 66 HG1 LYS 66 8.459 0.218 0.218 505 1HD LYS 66 HD2 LYS 66 9.986 1.205 1.205 506 2HD LYS 66 HD1 LYS 66 9.337 0.346 0.346 507 1HE LYS 66 HE2 LYS 66 7.697 2.367 2.367 508 2HE LYS 66 HE1 LYS 66 8.744 2.840 2.840 509 1HZ LYS 66 HZ2 LYS 66 7.562 1.167 1.167 510 2HZ LYS 66 HZ1 LYS 66 6.471 0.937 0.937 511 3HZ LYS 66 HZ3 LYS 66 6.574 2.448 2.448 512 H HIS 67 HN HIS 67 10.837 -2.617 -2.617 513 HA HIS 67 HA HIS 67 10.633 -0.268 -0.268 514 1HB HIS 67 HB2 HIS 67 11.667 -2.986 -2.986 515 2HB HIS 67 HB1 HIS 67 10.786 -1.820 -1.820 516 HD1 HIS 67 HD1 HIS 67 10.135 -4.933 -4.933 517 HD2 HIS 67 HD2 HIS 67 8.123 -1.313 -1.313 518 HE1 HIS 67 HE1 HIS 67 7.773 -5.513 -5.513 519 H HIS 68 HN HIS 68 13.012 -1.334 -1.334 520 HA HIS 68 HA HIS 68 15.375 -1.215 -1.215 521 1HB HIS 68 HB2 HIS 68 14.459 1.391 1.391 522 2HB HIS 68 HB1 HIS 68 16.107 1.093 1.093 523 HD1 HIS 68 HD1 HIS 68 12.875 0.047 0.047 524 HD2 HIS 68 HD2 HIS 68 16.152 2.535 2.535 525 HE1 HIS 68 HE1 HIS 68 12.638 0.924 0.924 526 H ILE 69 HN ILE 69 14.146 -2.431 -2.431 527 HA ILE 69 HA ILE 69 16.640 -2.280 -2.280 528 HB ILE 69 HB ILE 69 14.615 -0.466 -0.466 529 1HG1 ILE 69 HG12 ILE 69 17.035 -0.234 -0.234 530 2HG1 ILE 69 HG11 ILE 69 16.111 0.043 0.043 531 1HG2 ILE 69 HG21 ILE 69 13.380 -2.335 -2.335 532 2HG2 ILE 69 HG23 ILE 69 14.796 -2.682 -2.682 533 3HG2 ILE 69 HG22 ILE 69 13.938 -1.158 -1.158 534 1HD1 ILE 69 HD12 ILE 69 16.521 -2.569 -2.569 535 2HD1 ILE 69 HD11 ILE 69 17.910 -2.246 -2.246 536 3HD1 ILE 69 HD13 ILE 69 17.724 -1.383 -1.383 537 H THR 70 HN THR 70 16.866 -3.817 -3.817 538 HA THR 70 HA THR 70 14.970 -6.082 -6.082 539 HB THR 70 HB THR 70 17.029 -6.955 -6.955 540 HG1 THR 70 HG1 THR 70 16.927 -8.298 -8.298 541 1HG2 THR 70 HG22 THR 70 18.217 -4.891 -4.891 542 2HG2 THR 70 HG21 THR 70 19.187 -6.125 -6.125 543 3HG2 THR 70 HG23 THR 70 18.299 -4.938 -4.938 544 HA PRO 71 HA PRO 71 13.743 -5.307 -5.307 545 1HB PRO 71 HB2 PRO 71 13.728 -8.082 -8.082 546 2HB PRO 71 HB1 PRO 71 12.361 -7.068 -7.068 547 1HG PRO 71 HG2 PRO 71 13.330 -9.223 -9.223 548 2HG PRO 71 HG1 PRO 71 12.373 -7.891 -7.891 549 1HD PRO 71 HD2 PRO 71 15.314 -8.368 -8.368 550 2HD PRO 71 HD1 PRO 71 14.224 -7.582 -7.582 551 H LEU 72 HN LEU 72 16.864 -7.013 -7.013 552 HA LEU 72 HA LEU 72 17.261 -7.249 -7.249 553 1HB LEU 72 HB2 LEU 72 19.677 -6.202 -6.202 554 2HB LEU 72 HB1 LEU 72 19.472 -7.656 -7.656 555 HG LEU 72 HG LEU 72 20.028 -8.482 -8.482 556 1HD1 LEU 72 HD13 LEU 72 17.159 -8.645 -8.645 557 2HD1 LEU 72 HD12 LEU 72 17.549 -8.966 -8.966 558 3HD1 LEU 72 HD11 LEU 72 18.310 -9.906 -9.906 559 1HD2 LEU 72 HD23 LEU 72 18.217 -6.382 -6.382 560 2HD2 LEU 72 HD22 LEU 72 19.978 -6.400 -6.400 561 3HD2 LEU 72 HD21 LEU 72 19.081 -7.627 -7.627 562 H LEU 73 HN LEU 73 17.485 -4.415 -4.415 563 HA LEU 73 HA LEU 73 18.450 -2.702 -2.702 564 1HB LEU 73 HB2 LEU 73 17.081 -1.919 -1.919 565 2HB LEU 73 HB1 LEU 73 17.964 -0.838 -0.838 566 HG LEU 73 HG LEU 73 19.917 -2.592 -2.592 567 1HD1 LEU 73 HD13 LEU 73 17.911 -3.499 -3.499 568 2HD1 LEU 73 HD12 LEU 73 19.375 -3.011 -3.011 569 3HD1 LEU 73 HD11 LEU 73 19.454 -4.234 -4.234 570 1HD2 LEU 73 HD23 LEU 73 19.015 -0.366 -0.366 571 2HD2 LEU 73 HD22 LEU 73 20.404 -0.446 -0.446 572 3HD2 LEU 73 HD21 LEU 73 20.437 -1.311 -1.311 573 H SER 74 HN SER 74 15.338 -3.859 -3.859 574 HA SER 74 HA SER 74 13.706 -1.829 -1.829 575 1HB SER 74 HB2 SER 74 12.711 -3.569 -3.569 576 2HB SER 74 HB1 SER 74 13.247 -4.811 -4.811 577 HG SER 74 HG SER 74 11.528 -4.429 -4.429 578 H ALA 75 HN ALA 75 15.082 -4.752 -4.752 579 HA ALA 75 HA ALA 75 14.023 -4.098 -4.098 580 1HB ALA 75 HB2 ALA 75 16.213 -5.998 -5.998 581 2HB ALA 75 HB1 ALA 75 15.642 -5.858 -5.858 582 3HB ALA 75 HB3 ALA 75 14.544 -6.403 -6.403 583 H VAL 76 HN VAL 76 16.929 -3.313 -3.313 584 HA VAL 76 HA VAL 76 18.719 -2.572 -2.572 585 HB VAL 76 HB VAL 76 18.056 -1.470 -1.470 586 1HG1 VAL 76 HG11 VAL 76 19.387 0.060 0.060 587 2HG1 VAL 76 HG13 VAL 76 20.488 -0.271 -0.271 588 3HG1 VAL 76 HG12 VAL 76 18.954 0.543 0.543 589 1HG2 VAL 76 HG22 VAL 76 20.519 -2.743 -2.743 590 2HG2 VAL 76 HG21 VAL 76 19.329 -3.565 -3.565 591 3HG2 VAL 76 HG23 VAL 76 20.348 -2.299 -2.299 592 H TYR 77 HN TYR 77 16.570 -0.122 -0.122 593 HA TYR 77 HA TYR 77 16.820 1.607 1.607 594 1HB TYR 77 HB2 TYR 77 14.554 2.067 2.067 595 2HB TYR 77 HB1 TYR 77 15.807 3.184 3.184 596 HD1 TYR 77 HD1 TYR 77 14.954 0.528 0.528 597 HD2 TYR 77 HD2 TYR 77 17.897 3.416 3.416 598 HE1 TYR 77 HE1 TYR 77 16.122 0.250 0.250 599 HE2 TYR 77 HE2 TYR 77 19.057 3.130 3.130 600 HH TYR 77 HH TYR 77 17.754 1.862 1.862 601 H GLU 78 HN GLU 78 15.962 -0.793 -0.793 602 HA GLU 78 HA GLU 78 13.116 -0.216 -0.216 603 1HB GLU 78 HB2 GLU 78 13.540 -2.249 -2.249 604 2HB GLU 78 HB1 GLU 78 14.177 -3.034 -3.034 605 1HG GLU 78 HG2 GLU 78 11.987 -2.300 -2.300 606 2HG GLU 78 HG1 GLU 78 11.385 -2.004 -2.004 607 H GLY 79 HN GLY 79 16.200 -1.683 -1.683 608 1HA GLY 79 HA2 GLY 79 17.097 -1.510 -1.510 609 2HA GLY 79 HA1 GLY 79 15.461 -1.170 -1.170 610 H HIS 80 HN HIS 80 14.992 -3.474 -3.474 611 HA HIS 80 HA HIS 80 14.706 -5.593 -5.593 612 1HB HIS 80 HB2 HIS 80 13.963 -5.182 -5.182 613 2HB HIS 80 HB1 HIS 80 14.115 -6.851 -6.851 614 HD1 HIS 80 HD1 HIS 80 11.806 -7.664 -7.664 615 HD2 HIS 80 HD2 HIS 80 12.403 -3.731 -3.731 616 HE1 HIS 80 HE1 HIS 80 9.705 -6.980 -6.980 617 H VAL 81 HN VAL 81 16.458 -5.208 -5.208 618 HA VAL 81 HA VAL 81 18.248 -6.493 -6.493 619 HB VAL 81 HB VAL 81 20.215 -6.147 -6.147 620 1HG1 VAL 81 HG12 VAL 81 18.720 -4.195 -4.195 621 2HG1 VAL 81 HG11 VAL 81 20.112 -3.641 -3.641 622 3HG1 VAL 81 HG13 VAL 81 20.307 -4.922 -4.922 623 1HG2 VAL 81 HG22 VAL 81 18.642 -5.554 -5.554 624 2HG2 VAL 81 HG21 VAL 81 19.708 -4.208 -4.208 625 3HG2 VAL 81 HG23 VAL 81 18.041 -4.204 -4.204 626 H SER 82 HN SER 82 16.345 -7.929 -7.929 627 HA SER 82 HA SER 82 18.113 -10.105 -10.105 628 1HB SER 82 HB2 SER 82 15.224 -9.370 -9.370 629 2HB SER 82 HB1 SER 82 15.605 -11.090 -11.090 630 HG SER 82 HG SER 82 16.806 -10.813 -10.813 631 H CYS 83 HN CYS 83 16.141 -9.070 -9.070 632 HA CYS 83 HA CYS 83 15.909 -11.676 -11.676 633 1HB CYS 83 HB2 CYS 83 15.285 -9.715 -9.715 634 2HB CYS 83 HB1 CYS 83 14.126 -10.497 -10.497 635 HG CYS 83 HG CYS 83 15.089 -7.614 -7.614 636 H VAL 84 HN VAL 84 17.618 -8.573 -8.573 637 HA VAL 84 HA VAL 84 19.076 -9.171 -9.171 638 HB VAL 84 HB VAL 84 20.890 -7.772 -7.772 639 1HG1 VAL 84 HG11 VAL 84 18.090 -6.884 -6.884 640 2HG1 VAL 84 HG13 VAL 84 19.492 -5.812 -5.812 641 3HG1 VAL 84 HG12 VAL 84 18.998 -6.506 -6.506 642 1HG2 VAL 84 HG21 VAL 84 19.536 -8.433 -8.433 643 2HG2 VAL 84 HG23 VAL 84 21.250 -8.534 -8.534 644 3HG2 VAL 84 HG22 VAL 84 20.492 -6.962 -6.962 645 H LYS 85 HN LYS 85 19.690 -10.209 -10.209 646 HA LYS 85 HA LYS 85 22.147 -11.503 -11.503 647 1HB LYS 85 HB2 LYS 85 19.737 -12.128 -12.128 648 2HB LYS 85 HB1 LYS 85 21.273 -12.959 -12.959 649 1HG LYS 85 HG2 LYS 85 21.743 -10.107 -10.107 650 2HG LYS 85 HG1 LYS 85 20.537 -10.466 -10.466 651 1HD LYS 85 HD2 LYS 85 22.645 -10.632 -10.632 652 2HD LYS 85 HD1 LYS 85 22.121 -12.293 -12.293 653 1HE LYS 85 HE2 LYS 85 24.448 -12.137 -12.137 654 2HE LYS 85 HE1 LYS 85 23.491 -12.295 -12.295 655 1HZ LYS 85 HZ3 LYS 85 23.594 -9.601 -9.601 656 2HZ LYS 85 HZ2 LYS 85 25.169 -10.160 -10.160 657 3HZ LYS 85 HZ1 LYS 85 24.451 -10.434 -10.434 658 H LEU 86 HN LEU 86 19.172 -13.426 -13.426 659 HA LEU 86 HA LEU 86 20.296 -15.689 -15.689 660 1HB LEU 86 HB2 LEU 86 18.469 -16.734 -16.734 661 2HB LEU 86 HB1 LEU 86 18.080 -15.204 -15.204 662 HG LEU 86 HG LEU 86 16.123 -15.885 -15.885 663 1HD1 LEU 86 HD11 LEU 86 17.290 -13.501 -13.501 664 2HD1 LEU 86 HD13 LEU 86 16.907 -14.164 -14.164 665 3HD1 LEU 86 HD12 LEU 86 15.634 -13.957 -13.957 666 1HD2 LEU 86 HD23 LEU 86 17.879 -17.206 -17.206 667 2HD2 LEU 86 HD22 LEU 86 16.120 -17.284 -17.284 668 3HD2 LEU 86 HD21 LEU 86 16.926 -16.091 -16.091 669 H LEU 87 HN LEU 87 19.523 -12.812 -12.812 670 HA LEU 87 HA LEU 87 18.255 -13.755 -13.755 671 1HB LEU 87 HB2 LEU 87 18.917 -11.243 -11.243 672 2HB LEU 87 HB1 LEU 87 19.628 -11.274 -11.274 673 HG LEU 87 HG LEU 87 16.750 -11.967 -11.967 674 1HD1 LEU 87 HD11 LEU 87 18.036 -9.450 -9.450 675 2HD1 LEU 87 HD13 LEU 87 16.309 -9.789 -9.789 676 3HD1 LEU 87 HD12 LEU 87 17.061 -9.606 -9.606 677 1HD2 LEU 87 HD21 LEU 87 18.455 -11.995 -11.995 678 2HD2 LEU 87 HD23 LEU 87 17.112 -13.050 -13.050 679 3HD2 LEU 87 HD22 LEU 87 16.792 -11.433 -11.433 680 H LEU 88 HN LEU 88 21.349 -11.939 -11.939 681 HA LEU 88 HA LEU 88 22.227 -13.119 -13.119 682 1HB LEU 88 HB2 LEU 88 24.471 -12.421 -12.421 683 2HB LEU 88 HB1 LEU 88 23.393 -11.183 -11.183 684 HG LEU 88 HG LEU 88 25.068 -11.512 -11.512 685 1HD1 LEU 88 HD11 LEU 88 22.636 -11.497 -11.497 686 2HD1 LEU 88 HD13 LEU 88 22.794 -13.238 -13.238 687 3HD1 LEU 88 HD12 LEU 88 23.800 -12.138 -12.138 688 1HD2 LEU 88 HD23 LEU 88 25.412 -14.014 -14.014 689 2HD2 LEU 88 HD22 LEU 88 26.099 -13.481 -13.481 690 3HD2 LEU 88 HD21 LEU 88 24.596 -14.399 -14.399 691 H SER 89 HN SER 89 21.899 -14.625 -14.625 692 HA SER 89 HA SER 89 23.871 -16.673 -16.673 693 1HB SER 89 HB2 SER 89 22.682 -17.717 -17.717 694 2HB SER 89 HB1 SER 89 21.977 -16.108 -16.108 695 HG SER 89 HG SER 89 20.190 -16.796 -16.796 696 H LYS 90 HN LYS 90 21.232 -15.854 -15.854 697 HA LYS 90 HA LYS 90 21.069 -18.561 -18.561 698 1HB LYS 90 HB2 LYS 90 19.275 -16.183 -16.183 699 2HB LYS 90 HB1 LYS 90 18.959 -17.877 -17.877 700 1HG LYS 90 HG2 LYS 90 19.468 -17.743 -17.743 701 2HG LYS 90 HG1 LYS 90 18.387 -16.404 -16.404 702 1HD LYS 90 HD2 LYS 90 17.904 -19.264 -19.264 703 2HD LYS 90 HD1 LYS 90 17.183 -18.527 -18.527 704 1HE LYS 90 HE2 LYS 90 16.604 -16.659 -16.659 705 2HE LYS 90 HE1 LYS 90 16.476 -18.176 -18.176 706 1HZ LYS 90 HZ2 LYS 90 15.267 -18.171 -18.171 707 2HZ LYS 90 HZ1 LYS 90 14.520 -17.154 -17.154 708 3HZ LYS 90 HZ3 LYS 90 14.689 -18.810 -18.810 709 H GLY 91 HN GLY 91 21.989 -15.266 -15.266 710 1HA GLY 91 HA2 GLY 91 23.822 -15.279 -15.279 711 2HA GLY 91 HA1 GLY 91 22.401 -15.600 -15.600 712 H ALA 92 HN ALA 92 20.872 -13.939 -13.939 713 HA ALA 92 HA ALA 92 20.413 -11.657 -11.657 714 1HB ALA 92 HB1 ALA 92 20.286 -12.235 -12.235 715 2HB ALA 92 HB3 ALA 92 20.808 -10.566 -10.566 716 3HB ALA 92 HB2 ALA 92 19.291 -11.120 -11.120 717 H ASP 93 HN ASP 93 23.403 -12.550 -12.550 718 HA ASP 93 HA ASP 93 25.505 -11.469 -11.469 719 1HB ASP 93 HB2 ASP 93 24.608 -11.124 -11.124 720 2HB ASP 93 HB1 ASP 93 24.231 -9.478 -9.478 721 H LYS 94 HN LYS 94 24.344 -8.285 -8.285 722 HA LYS 94 HA LYS 94 23.782 -7.538 -7.538 723 1HB LYS 94 HB2 LYS 94 26.384 -7.920 -7.920 724 2HB LYS 94 HB1 LYS 94 26.340 -6.340 -6.340 725 1HG LYS 94 HG2 LYS 94 25.131 -6.909 -6.909 726 2HG LYS 94 HG1 LYS 94 26.749 -6.263 -6.263 727 1HD LYS 94 HD2 LYS 94 25.776 -4.228 -4.228 728 2HD LYS 94 HD1 LYS 94 25.237 -4.587 -4.587 729 1HE LYS 94 HE2 LYS 94 23.185 -4.111 -4.111 730 2HE LYS 94 HE1 LYS 94 23.264 -5.829 -5.829 731 1HZ LYS 94 HZ1 LYS 94 24.604 -4.690 -4.690 732 2HZ LYS 94 HZ3 LYS 94 23.373 -3.560 -3.560 733 3HZ LYS 94 HZ2 LYS 94 22.976 -5.177 -5.177 734 H THR 95 HN THR 95 25.070 -6.441 -6.441 735 HA THR 95 HA THR 95 23.172 -4.128 -4.128 736 HB THR 95 HB THR 95 24.895 -3.382 -3.382 737 HG1 THR 95 HG1 THR 95 26.053 -5.503 -5.503 738 1HG2 THR 95 HG23 THR 95 24.422 -2.140 -2.140 739 2HG2 THR 95 HG22 THR 95 25.545 -3.189 -3.189 740 3HG2 THR 95 HG21 THR 95 26.140 -2.114 -2.114 741 H VAL 96 HN VAL 96 22.099 -6.456 -6.456 742 HA VAL 96 HA VAL 96 22.416 -7.349 -7.349 743 HB VAL 96 HB VAL 96 19.959 -7.604 -7.604 744 1HG1 VAL 96 HG11 VAL 96 21.044 -9.130 -9.130 745 2HG1 VAL 96 HG13 VAL 96 19.799 -9.784 -9.784 746 3HG1 VAL 96 HG12 VAL 96 19.488 -8.312 -8.312 747 1HG2 VAL 96 HG21 VAL 96 22.272 -8.344 -8.344 748 2HG2 VAL 96 HG23 VAL 96 20.915 -9.465 -9.465 749 3HG2 VAL 96 HG22 VAL 96 22.151 -9.664 -9.664 750 H LYS 97 HN LYS 97 20.709 -4.601 -4.601 751 HA LYS 97 HA LYS 97 19.930 -3.870 -3.870 752 1HB LYS 97 HB2 LYS 97 18.199 -5.565 -5.565 753 2HB LYS 97 HB1 LYS 97 17.537 -4.039 -4.039 754 1HG LYS 97 HG2 LYS 97 16.429 -4.261 -4.261 755 2HG LYS 97 HG1 LYS 97 17.826 -3.297 -3.297 756 1HD LYS 97 HD2 LYS 97 19.005 -5.319 -5.319 757 2HD LYS 97 HD1 LYS 97 17.652 -6.319 -6.319 758 1HE LYS 97 HE2 LYS 97 16.295 -5.657 -5.657 759 2HE LYS 97 HE1 LYS 97 17.064 -4.077 -4.077 760 1HZ LYS 97 HZ3 LYS 97 18.425 -6.611 -6.611 761 2HZ LYS 97 HZ2 LYS 97 17.561 -5.668 -5.668 762 3HZ LYS 97 HZ1 LYS 97 18.931 -5.028 -5.028 763 H GLY 98 HN GLY 98 20.842 -2.873 -2.873 764 1HA GLY 98 HA2 GLY 98 19.202 -0.481 -0.481 765 2HA GLY 98 HA1 GLY 98 20.709 -0.791 -0.791 766 HA PRO 99 HA PRO 99 21.108 2.453 2.453 767 1HB PRO 99 HB2 PRO 99 22.523 3.958 3.958 768 2HB PRO 99 HB1 PRO 99 21.131 4.454 4.454 769 1HG PRO 99 HG2 PRO 99 21.144 3.647 3.647 770 2HG PRO 99 HG1 PRO 99 19.740 4.100 4.100 771 1HD PRO 99 HD2 PRO 99 20.392 1.486 1.486 772 2HD PRO 99 HD1 PRO 99 19.085 1.908 1.908 773 H ASP 100 HN ASP 100 23.456 2.307 2.307 774 HA ASP 100 HA ASP 100 25.280 0.633 0.633 775 1HB ASP 100 HB2 ASP 100 25.606 2.900 2.900 776 2HB ASP 100 HB1 ASP 100 26.090 3.502 3.502 777 H GLY 101 HN GLY 101 27.107 2.697 2.697 778 1HA GLY 101 HA2 GLY 101 27.630 0.748 0.748 779 2HA GLY 101 HA1 GLY 101 28.179 2.422 2.422 780 H LEU 102 HN LEU 102 24.875 2.602 2.602 781 HA LEU 102 HA LEU 102 24.385 3.646 3.646 782 1HB LEU 102 HB2 LEU 102 22.815 3.859 3.859 783 2HB LEU 102 HB1 LEU 102 22.336 2.186 2.186 784 HG LEU 102 HG LEU 102 21.976 4.490 4.490 785 1HD1 LEU 102 HD12 LEU 102 20.102 2.856 2.856 786 2HD1 LEU 102 HD11 LEU 102 19.549 3.802 3.802 787 3HD1 LEU 102 HD13 LEU 102 20.310 4.608 4.608 788 1HD2 LEU 102 HD22 LEU 102 21.569 1.516 1.516 789 2HD2 LEU 102 HD21 LEU 102 22.307 2.645 2.645 790 3HD2 LEU 102 HD23 LEU 102 20.563 2.646 2.646 791 H THR 103 HN THR 103 23.166 0.474 0.474 792 HA THR 103 HA THR 103 22.357 -1.157 -1.157 793 HB THR 103 HB THR 103 24.216 -2.290 -2.290 794 HG1 THR 103 HG1 THR 103 23.797 -2.343 -2.343 795 1HG2 THR 103 HG23 THR 103 25.844 -0.099 -0.099 796 2HG2 THR 103 HG22 THR 103 26.575 -1.581 -1.581 797 3HG2 THR 103 HG21 THR 103 25.732 -0.494 -0.494 798 H ALA 104 HN ALA 104 25.070 -0.988 -0.988 799 HA ALA 104 HA ALA 104 23.447 0.054 0.054 800 1HB ALA 104 HB1 ALA 104 25.948 -1.582 -1.582 801 2HB ALA 104 HB3 ALA 104 25.597 -0.739 -0.739 802 3HB ALA 104 HB2 ALA 104 24.462 -1.936 -1.936 803 H LEU 105 HN LEU 105 26.300 0.938 0.938 804 HA LEU 105 HA LEU 105 27.573 2.705 2.705 805 1HB LEU 105 HB2 LEU 105 27.185 3.297 3.297 806 2HB LEU 105 HB1 LEU 105 28.559 3.698 3.698 807 HG LEU 105 HG LEU 105 27.723 0.937 0.937 808 1HD1 LEU 105 HD11 LEU 105 28.919 2.297 2.297 809 2HD1 LEU 105 HD13 LEU 105 30.206 2.600 2.600 810 3HD1 LEU 105 HD12 LEU 105 29.928 0.965 0.965 811 1HD2 LEU 105 HD23 LEU 105 29.779 1.858 1.858 812 2HD2 LEU 105 HD22 LEU 105 28.525 0.634 0.634 813 3HD2 LEU 105 HD21 LEU 105 29.920 0.307 0.307 814 H GLU 106 HN GLU 106 25.394 3.906 3.906 815 HA GLU 106 HA GLU 106 25.103 6.413 6.413 816 1HB GLU 106 HB2 GLU 106 23.575 5.455 5.455 817 2HB GLU 106 HB1 GLU 106 23.841 7.121 7.121 818 1HG GLU 106 HG2 GLU 106 26.088 5.228 5.228 819 2HG GLU 106 HG1 GLU 106 25.334 6.320 6.320 820 H ALA 107 HN ALA 107 23.636 3.467 3.467 821 HA ALA 107 HA ALA 107 20.891 4.374 4.374 822 1HB ALA 107 HB2 ALA 107 22.335 1.872 1.872 823 2HB ALA 107 HB1 ALA 107 20.652 2.144 2.144 824 3HB ALA 107 HB3 ALA 107 21.105 2.074 2.074 825 H THR 108 HN THR 108 23.382 3.580 3.580 826 HA THR 108 HA THR 108 21.909 5.420 5.420 827 HB THR 108 HB THR 108 20.803 3.206 3.206 828 HG1 THR 108 HG1 THR 108 21.933 3.099 3.099 829 1HG2 THR 108 HG21 THR 108 23.182 2.115 2.115 830 2HG2 THR 108 HG23 THR 108 23.292 2.130 2.130 831 3HG2 THR 108 HG22 THR 108 21.980 1.262 1.262 832 H ASP 109 HN ASP 109 22.923 4.412 4.412 833 HA ASP 109 HA ASP 109 25.855 4.459 4.459 834 1HB ASP 109 HB2 ASP 109 25.372 6.812 6.812 835 2HB ASP 109 HB1 ASP 109 24.193 6.459 6.459 836 H ASN 110 HN ASN 110 23.104 3.025 3.025 837 HA ASN 110 HA ASN 110 23.950 2.393 2.393 838 1HB ASN 110 HB2 ASN 110 22.146 0.593 0.593 839 2HB ASN 110 HB1 ASN 110 21.578 2.241 2.241 840 1HD2 ASN 110 HD21 ASN 110 23.362 0.357 0.357 841 2HD2 ASN 110 HD22 ASN 110 22.108 0.303 0.303 842 H GLN 111 HN GLN 111 25.230 0.671 0.671 843 HA GLN 111 HA GLN 111 26.857 -0.437 -0.437 844 1HB GLN 111 HB2 GLN 111 27.874 0.101 0.101 845 2HB GLN 111 HB1 GLN 111 26.740 -0.896 -0.896 846 1HG GLN 111 HG2 GLN 111 27.731 -2.900 -2.900 847 2HG GLN 111 HG1 GLN 111 28.513 -2.117 -2.117 848 1HE2 GLN 111 HE21 GLN 111 30.696 -1.635 -1.635 849 2HE2 GLN 111 HE22 GLN 111 31.430 -1.423 -1.423 850 H ALA 112 HN ALA 112 23.808 -1.434 -1.434 851 HA ALA 112 HA ALA 112 24.321 -4.320 -4.320 852 1HB ALA 112 HB2 ALA 112 22.289 -3.186 -3.186 853 2HB ALA 112 HB1 ALA 112 21.695 -2.962 -2.962 854 3HB ALA 112 HB3 ALA 112 21.948 -4.588 -4.588 855 H ILE 113 HN ILE 113 22.853 -2.064 -2.064 856 HA ILE 113 HA ILE 113 22.638 -3.834 -3.834 857 HB ILE 113 HB ILE 113 22.802 -0.846 -0.846 858 1HG1 ILE 113 HG12 ILE 113 20.564 -1.319 -1.319 859 2HG1 ILE 113 HG11 ILE 113 20.698 -2.868 -2.868 860 1HG2 ILE 113 HG23 ILE 113 22.904 -2.384 -2.384 861 2HG2 ILE 113 HG22 ILE 113 22.298 -0.731 -0.731 862 3HG2 ILE 113 HG21 ILE 113 23.960 -1.075 -1.075 863 1HD1 ILE 113 HD11 ILE 113 21.063 -1.453 -1.453 864 2HD1 ILE 113 HD13 ILE 113 20.420 -0.114 -0.114 865 3HD1 ILE 113 HD12 ILE 113 19.427 -1.539 -1.539 866 H LYS 114 HN LYS 114 25.018 -1.396 -1.396 867 HA LYS 114 HA LYS 114 26.780 -1.645 -1.645 868 1HB LYS 114 HB2 LYS 114 27.562 -1.319 -1.319 869 2HB LYS 114 HB1 LYS 114 28.505 -0.800 -0.800 870 1HG LYS 114 HG2 LYS 114 25.694 0.200 0.200 871 2HG LYS 114 HG1 LYS 114 27.126 1.033 1.033 872 1HD LYS 114 HD2 LYS 114 27.953 0.997 0.997 873 2HD LYS 114 HD1 LYS 114 26.293 0.573 0.573 874 1HE LYS 114 HE2 LYS 114 25.466 2.597 2.597 875 2HE LYS 114 HE1 LYS 114 27.106 3.015 3.015 876 1HZ LYS 114 HZ1 LYS 114 27.171 2.552 2.552 877 2HZ LYS 114 HZ3 LYS 114 25.822 3.540 3.540 878 3HZ LYS 114 HZ2 LYS 114 27.362 4.033 4.033 879 H ALA 115 HN ALA 115 25.882 -3.994 -3.994 880 HA ALA 115 HA ALA 115 28.273 -5.590 -5.590 881 1HB ALA 115 HB1 ALA 115 26.270 -5.771 -5.771 882 2HB ALA 115 HB3 ALA 115 25.492 -6.703 -6.703 883 3HB ALA 115 HB2 ALA 115 26.997 -7.277 -7.277 884 H LEU 116 HN LEU 116 25.478 -5.319 -5.319 885 HA LEU 116 HA LEU 116 26.135 -7.728 -7.728 886 1HB LEU 116 HB2 LEU 116 24.307 -5.410 -5.410 887 2HB LEU 116 HB1 LEU 116 24.891 -6.134 -6.134 888 HG LEU 116 HG LEU 116 23.412 -7.554 -7.554 889 1HD1 LEU 116 HD11 LEU 116 22.717 -6.746 -6.746 890 2HD1 LEU 116 HD13 LEU 116 21.800 -7.963 -7.963 891 3HD1 LEU 116 HD12 LEU 116 21.873 -6.307 -6.307 892 1HD2 LEU 116 HD21 LEU 116 25.041 -8.565 -8.565 893 2HD2 LEU 116 HD23 LEU 116 24.637 -9.350 -9.350 894 3HD2 LEU 116 HD22 LEU 116 23.466 -9.330 -9.330 895 H LEU 117 HN LEU 117 27.205 -4.390 -4.390 896 HA LEU 117 HA LEU 117 28.705 -4.781 -4.781 897 1HB LEU 117 HB2 LEU 117 28.950 -2.520 -2.520 898 2HB LEU 117 HB1 LEU 117 27.751 -2.566 -2.566 899 HG LEU 117 HG LEU 117 29.853 -2.908 -2.908 900 1HD1 LEU 117 HD11 LEU 117 31.123 -2.620 -2.620 901 2HD1 LEU 117 HD13 LEU 117 31.376 -1.092 -1.092 902 3HD1 LEU 117 HD12 LEU 117 31.896 -2.599 -2.599 903 1HD2 LEU 117 HD23 LEU 117 28.220 -0.816 -0.816 904 2HD2 LEU 117 HD22 LEU 117 29.609 -0.697 -0.697 905 3HD2 LEU 117 HD21 LEU 117 29.741 -0.144 -0.144 906 H GLN 118 HN GLN 118 28.964 -6.108 -6.108 907 HA GLN 118 HA GLN 118 31.719 -5.742 -5.742 908 1HB GLN 118 HB2 GLN 118 29.937 -6.581 -6.581 909 2HB GLN 118 HB1 GLN 118 29.867 -8.048 -8.048 910 1HG GLN 118 HG2 GLN 118 32.072 -8.646 -8.646 911 2HG GLN 118 HG1 GLN 118 32.406 -7.068 -7.068 912 1HE2 GLN 118 HE21 GLN 118 29.388 -8.877 -8.877 913 2HE2 GLN 118 HE22 GLN 118 29.636 -9.176 -9.176 Start of MODEL 26 1 1H MET 1 HT1 MET 1 -9.631 -12.410 -12.410 2 2H MET 1 HT3 MET 1 -11.259 -11.978 -11.978 3 3H MET 1 HT2 MET 1 -10.541 -13.082 -13.082 4 HA MET 1 HA MET 1 -10.537 -14.797 -14.797 5 1HB MET 1 HB2 MET 1 -12.834 -14.326 -14.326 6 2HB MET 1 HB1 MET 1 -12.943 -13.047 -13.047 7 1HG MET 1 HG2 MET 1 -12.960 -14.560 -14.560 8 2HG MET 1 HG1 MET 1 -12.243 -15.855 -15.855 9 1HE MET 1 HE3 MET 1 -13.208 -16.846 -16.846 10 2HE MET 1 HE2 MET 1 -14.881 -17.394 -17.394 11 3HE MET 1 HE1 MET 1 -13.849 -17.903 -17.903 12 H CYS 2 HN CYS 2 -9.689 -11.864 -11.864 13 HA CYS 2 HA CYS 2 -9.270 -13.065 -13.065 14 1HB CYS 2 HB2 CYS 2 -11.334 -11.499 -11.499 15 2HB CYS 2 HB1 CYS 2 -10.159 -10.194 -10.194 16 HG CYS 2 HG CYS 2 -9.249 -11.687 -11.687 17 H ASP 3 HN ASP 3 -8.305 -10.382 -10.382 18 HA ASP 3 HA ASP 3 -5.557 -10.615 -10.615 19 1HB ASP 3 HB2 ASP 3 -6.951 -7.944 -7.944 20 2HB ASP 3 HB1 ASP 3 -5.329 -8.373 -8.373 21 H LYS 4 HN LYS 4 -7.960 -8.948 -8.948 22 HA LYS 4 HA LYS 4 -6.374 -7.464 -7.464 23 1HB LYS 4 HB2 LYS 4 -8.848 -9.110 -9.110 24 2HB LYS 4 HB1 LYS 4 -8.160 -7.949 -7.949 25 1HG LYS 4 HG2 LYS 4 -8.686 -7.041 -7.041 26 2HG LYS 4 HG1 LYS 4 -10.060 -7.211 -7.211 27 1HD LYS 4 HD2 LYS 4 -8.894 -5.758 -5.758 28 2HD LYS 4 HD1 LYS 4 -7.584 -5.530 -5.530 29 1HE LYS 4 HE2 LYS 4 -10.486 -4.810 -4.810 30 2HE LYS 4 HE1 LYS 4 -9.211 -3.665 -3.665 31 1HZ LYS 4 HZ3 LYS 4 -8.126 -4.975 -4.975 32 2HZ LYS 4 HZ2 LYS 4 -9.768 -4.979 -4.979 33 3HZ LYS 4 HZ1 LYS 4 -8.971 -3.511 -3.511 34 H GLU 5 HN GLU 5 -7.544 -10.730 -10.730 35 HA GLU 5 HA GLU 5 -5.913 -11.198 -11.198 36 1HB GLU 5 HB2 GLU 5 -6.899 -13.069 -13.069 37 2HB GLU 5 HB1 GLU 5 -5.939 -13.662 -13.662 38 1HG GLU 5 HG2 GLU 5 -7.572 -12.706 -12.706 39 2HG GLU 5 HG1 GLU 5 -8.533 -12.106 -12.106 40 H PHE 6 HN PHE 6 -4.849 -10.833 -10.833 41 HA PHE 6 HA PHE 6 -2.397 -12.375 -12.375 42 1HB PHE 6 HB2 PHE 6 -3.639 -11.721 -11.721 43 2HB PHE 6 HB1 PHE 6 -2.774 -10.193 -10.193 44 HD1 PHE 6 HD2 PHE 6 -2.033 -13.864 -13.864 45 HD2 PHE 6 HD1 PHE 6 -0.739 -10.045 -10.045 46 HE1 PHE 6 HE2 PHE 6 0.004 -14.916 -14.916 47 HE2 PHE 6 HE1 PHE 6 1.295 -11.103 -11.103 48 HZ PHE 6 HZ PHE 6 1.664 -13.538 -13.538 49 H MET 7 HN MET 7 -2.640 -8.829 -8.829 50 HA MET 7 HA MET 7 -0.031 -8.340 -8.340 51 1HB MET 7 HB2 MET 7 -0.436 -6.055 -6.055 52 2HB MET 7 HB1 MET 7 -1.453 -6.830 -6.830 53 1HG MET 7 HG2 MET 7 -3.107 -6.707 -6.707 54 2HG MET 7 HG1 MET 7 -2.236 -5.177 -5.177 55 1HE MET 7 HE3 MET 7 -4.131 -7.694 -7.694 56 2HE MET 7 HE2 MET 7 -5.076 -6.899 -6.899 57 3HE MET 7 HE1 MET 7 -3.391 -7.304 -7.304 58 H TRP 8 HN TRP 8 -3.124 -8.659 -8.659 59 HA TRP 8 HA TRP 8 -2.322 -7.360 -7.360 60 1HB TRP 8 HB2 TRP 8 -4.634 -7.325 -7.325 61 2HB TRP 8 HB1 TRP 8 -4.677 -8.947 -8.947 62 HD1 TRP 8 HD1 TRP 8 -4.980 -7.065 -7.065 63 HE1 TRP 8 HE1 TRP 8 -5.454 -8.727 -8.727 64 HE3 TRP 8 HE3 TRP 8 -4.073 -11.465 -11.465 65 HZ2 TRP 8 HZ2 TRP 8 -5.452 -11.558 -11.558 66 HZ3 TRP 8 HZ3 TRP 8 -4.311 -13.629 -13.629 67 HH2 TRP 8 HH2 TRP 8 -5.002 -13.682 -13.682 68 H ALA 9 HN ALA 9 -1.948 -10.472 -10.472 69 HA ALA 9 HA ALA 9 -1.239 -11.787 -11.787 70 1HB ALA 9 HB2 ALA 9 -1.206 -12.793 -12.793 71 2HB ALA 9 HB1 ALA 9 -0.743 -13.765 -13.765 72 3HB ALA 9 HB3 ALA 9 -2.399 -13.187 -13.187 73 H LEU 10 HN LEU 10 0.318 -11.004 -11.004 74 HA LEU 10 HA LEU 10 2.978 -11.651 -11.651 75 1HB LEU 10 HB2 LEU 10 1.831 -9.193 -9.193 76 2HB LEU 10 HB1 LEU 10 3.547 -9.573 -9.573 77 HG LEU 10 HG LEU 10 1.764 -11.772 -11.772 78 1HD1 LEU 10 HD13 LEU 10 1.879 -9.099 -9.099 79 2HD1 LEU 10 HD12 LEU 10 1.915 -10.542 -10.542 80 3HD1 LEU 10 HD11 LEU 10 0.555 -10.264 -10.264 81 1HD2 LEU 10 HD23 LEU 10 4.335 -11.684 -11.684 82 2HD2 LEU 10 HD22 LEU 10 3.583 -12.200 -12.200 83 3HD2 LEU 10 HD21 LEU 10 4.196 -10.555 -10.555 84 H LYS 11 HN LYS 11 0.960 -9.161 -9.161 85 HA LYS 11 HA LYS 11 3.135 -7.666 -7.666 86 1HB LYS 11 HB2 LYS 11 1.451 -6.355 -6.355 87 2HB LYS 11 HB1 LYS 11 0.159 -7.314 -7.314 88 1HG LYS 11 HG2 LYS 11 0.583 -6.452 -6.452 89 2HG LYS 11 HG1 LYS 11 2.118 -5.734 -5.734 90 1HD LYS 11 HD2 LYS 11 1.066 -4.048 -4.048 91 2HD LYS 11 HD1 LYS 11 -0.456 -4.936 -4.936 92 1HE LYS 11 HE2 LYS 11 -0.755 -3.153 -3.153 93 2HE LYS 11 HE1 LYS 11 -0.675 -4.664 -4.664 94 1HZ LYS 11 HZ3 LYS 11 1.796 -4.168 -4.168 95 2HZ LYS 11 HZ2 LYS 11 1.403 -2.588 -2.588 96 3HZ LYS 11 HZ1 LYS 11 0.746 -3.228 -3.228 97 H ASN 12 HN ASN 12 0.009 -8.950 -8.950 98 HA ASN 12 HA ASN 12 0.902 -8.704 -8.704 99 1HB ASN 12 HB2 ASN 12 -1.479 -9.851 -9.851 100 2HB ASN 12 HB1 ASN 12 -1.222 -10.221 -10.221 101 1HD2 ASN 12 HD21 ASN 12 -3.116 -8.277 -8.277 102 2HD2 ASN 12 HD22 ASN 12 -3.018 -6.839 -6.839 103 H GLY 13 HN GLY 13 2.590 -10.456 -10.456 104 1HA GLY 13 HA2 GLY 13 3.700 -12.502 -12.502 105 2HA GLY 13 HA1 GLY 13 3.281 -12.381 -12.381 106 H ASP 14 HN ASP 14 0.505 -12.460 -12.460 107 HA ASP 14 HA ASP 14 -0.260 -15.026 -15.026 108 1HB ASP 14 HB2 ASP 14 -1.577 -13.943 -13.943 109 2HB ASP 14 HB1 ASP 14 -2.268 -14.723 -14.723 110 H LEU 15 HN LEU 15 2.080 -15.451 -15.451 111 HA LEU 15 HA LEU 15 2.712 -16.108 -16.108 112 1HB LEU 15 HB2 LEU 15 4.218 -16.257 -16.257 113 2HB LEU 15 HB1 LEU 15 3.336 -17.659 -17.659 114 HG LEU 15 HG LEU 15 5.539 -18.051 -18.051 115 1HD1 LEU 15 HD11 LEU 15 3.380 -19.619 -19.619 116 2HD1 LEU 15 HD13 LEU 15 3.401 -19.608 -19.608 117 3HD1 LEU 15 HD12 LEU 15 4.810 -20.169 -20.169 118 1HD2 LEU 15 HD23 LEU 15 4.791 -16.440 -16.440 119 2HD2 LEU 15 HD22 LEU 15 5.531 -17.963 -17.963 120 3HD2 LEU 15 HD21 LEU 15 3.783 -17.772 -17.772 121 H ASP 16 HN ASP 16 0.487 -17.785 -17.785 122 HA ASP 16 HA ASP 16 0.336 -20.248 -20.248 123 1HB ASP 16 HB2 ASP 16 -1.959 -19.018 -19.018 124 2HB ASP 16 HB1 ASP 16 -1.533 -20.718 -20.718 125 H GLU 17 HN GLU 17 -1.308 -17.142 -17.142 126 HA GLU 17 HA GLU 17 -3.195 -18.208 -18.208 127 1HB GLU 17 HB2 GLU 17 -2.603 -15.535 -15.535 128 2HB GLU 17 HB1 GLU 17 -3.403 -15.568 -15.568 129 1HG GLU 17 HG2 GLU 17 -5.138 -15.576 -15.576 130 2HG GLU 17 HG1 GLU 17 -5.078 -17.189 -17.189 131 H VAL 18 HN VAL 18 -0.118 -16.399 -16.399 132 HA VAL 18 HA VAL 18 -0.328 -16.102 -16.102 133 HB VAL 18 HB VAL 18 2.394 -16.208 -16.208 134 1HG1 VAL 18 HG13 VAL 18 1.095 -14.426 -14.426 135 2HG1 VAL 18 HG12 VAL 18 0.650 -13.782 -13.782 136 3HG1 VAL 18 HG11 VAL 18 2.344 -13.817 -13.817 137 1HG2 VAL 18 HG21 VAL 18 1.676 -16.587 -16.587 138 2HG2 VAL 18 HG23 VAL 18 2.869 -15.333 -15.333 139 3HG2 VAL 18 HG22 VAL 18 1.185 -14.895 -14.895 140 H LYS 19 HN LYS 19 0.883 -18.517 -18.517 141 HA LYS 19 HA LYS 19 2.320 -20.181 -20.181 142 1HB LYS 19 HB2 LYS 19 2.146 -20.348 -20.348 143 2HB LYS 19 HB1 LYS 19 0.577 -21.110 -21.110 144 1HG LYS 19 HG2 LYS 19 1.520 -23.016 -23.016 145 2HG LYS 19 HG1 LYS 19 3.028 -22.182 -22.182 146 1HD LYS 19 HD2 LYS 19 2.241 -22.442 -22.442 147 2HD LYS 19 HD1 LYS 19 2.860 -23.874 -23.874 148 1HE LYS 19 HE2 LYS 19 4.918 -22.778 -22.778 149 2HE LYS 19 HE1 LYS 19 4.295 -21.206 -21.206 150 1HZ LYS 19 HZ2 LYS 19 4.106 -22.073 -22.073 151 2HZ LYS 19 HZ1 LYS 19 4.800 -23.539 -23.539 152 3HZ LYS 19 HZ3 LYS 19 5.707 -22.107 -22.107 153 H ASP 20 HN ASP 20 -1.115 -19.771 -19.771 154 HA ASP 20 HA ASP 20 -1.900 -22.161 -22.161 155 1HB ASP 20 HB2 ASP 20 -3.356 -20.816 -20.816 156 2HB ASP 20 HB1 ASP 20 -3.518 -19.624 -19.624 157 H TYR 21 HN TYR 21 -1.495 -18.766 -18.766 158 HA TYR 21 HA TYR 21 -2.505 -18.958 -18.958 159 1HB TYR 21 HB2 TYR 21 -0.489 -17.192 -17.192 160 2HB TYR 21 HB1 TYR 21 -0.706 -17.078 -17.078 161 HD1 TYR 21 HD1 TYR 21 -2.483 -16.889 -16.889 162 HD2 TYR 21 HD2 TYR 21 -2.619 -16.028 -16.028 163 HE1 TYR 21 HE1 TYR 21 -4.536 -15.541 -15.541 164 HE2 TYR 21 HE2 TYR 21 -4.669 -14.676 -14.676 165 HH TYR 21 HH TYR 21 -6.067 -14.257 -14.257 166 H VAL 22 HN VAL 22 1.008 -19.097 -19.097 167 HA VAL 22 HA VAL 22 1.698 -19.969 -19.969 168 HB VAL 22 HB VAL 22 3.281 -18.955 -18.955 169 1HG1 VAL 22 HG11 VAL 22 2.634 -20.507 -20.507 170 2HG1 VAL 22 HG13 VAL 22 3.413 -21.822 -21.822 171 3HG1 VAL 22 HG12 VAL 22 4.373 -20.466 -20.466 172 1HG2 VAL 22 HG21 VAL 22 4.042 -21.510 -21.510 173 2HG2 VAL 22 HG23 VAL 22 4.110 -19.873 -19.873 174 3HG2 VAL 22 HG22 VAL 22 5.204 -20.356 -20.356 175 H ALA 23 HN ALA 23 0.210 -21.650 -21.650 176 HA ALA 23 HA ALA 23 1.211 -24.288 -24.288 177 1HB ALA 23 HB3 ALA 23 -0.485 -23.392 -23.392 178 2HB ALA 23 HB2 ALA 23 -1.702 -23.735 -23.735 179 3HB ALA 23 HB1 ALA 23 -0.692 -25.038 -25.038 180 H LYS 24 HN LYS 24 -0.873 -22.222 -22.222 181 HA LYS 24 HA LYS 24 -2.218 -24.085 -24.085 182 1HB LYS 24 HB2 LYS 24 -1.271 -21.253 -21.253 183 2HB LYS 24 HB1 LYS 24 -2.265 -22.139 -22.139 184 1HG LYS 24 HG2 LYS 24 -3.937 -22.525 -22.525 185 2HG LYS 24 HG1 LYS 24 -2.982 -21.437 -21.437 186 1HD LYS 24 HD2 LYS 24 -3.324 -19.608 -19.608 187 2HD LYS 24 HD1 LYS 24 -4.092 -20.667 -20.667 188 1HE LYS 24 HE2 LYS 24 -5.925 -21.119 -21.119 189 2HE LYS 24 HE1 LYS 24 -5.157 -20.060 -20.060 190 1HZ LYS 24 HZ1 LYS 24 -5.512 -18.833 -18.833 191 2HZ LYS 24 HZ3 LYS 24 -6.976 -19.285 -19.285 192 3HZ LYS 24 HZ2 LYS 24 -5.907 -18.249 -18.249 193 H GLY 25 HN GLY 25 0.303 -22.007 -22.007 194 1HA GLY 25 HA2 GLY 25 2.020 -24.223 -24.223 195 2HA GLY 25 HA1 GLY 25 1.084 -23.642 -23.642 196 H GLU 26 HN GLU 26 3.641 -22.940 -22.940 197 HA GLU 26 HA GLU 26 5.014 -21.017 -21.017 198 1HB GLU 26 HB2 GLU 26 6.273 -20.822 -20.822 199 2HB GLU 26 HB1 GLU 26 6.391 -22.307 -22.307 200 1HG GLU 26 HG2 GLU 26 4.284 -21.930 -21.930 201 2HG GLU 26 HG1 GLU 26 5.876 -22.555 -22.555 202 H ASP 27 HN ASP 27 4.080 -19.088 -19.088 203 HA ASP 27 HA ASP 27 3.645 -17.363 -17.363 204 1HB ASP 27 HB2 ASP 27 1.552 -17.795 -17.795 205 2HB ASP 27 HB1 ASP 27 1.498 -16.502 -16.502 206 H VAL 28 HN VAL 28 5.677 -17.611 -17.611 207 HA VAL 28 HA VAL 28 5.230 -15.552 -15.552 208 HB VAL 28 HB VAL 28 7.623 -15.992 -15.992 209 1HG1 VAL 28 HG13 VAL 28 5.696 -17.395 -17.395 210 2HG1 VAL 28 HG12 VAL 28 6.034 -18.536 -18.536 211 3HG1 VAL 28 HG11 VAL 28 7.240 -18.244 -18.244 212 1HG2 VAL 28 HG23 VAL 28 8.056 -16.571 -16.571 213 2HG2 VAL 28 HG22 VAL 28 8.966 -17.405 -17.405 214 3HG2 VAL 28 HG21 VAL 28 7.584 -18.194 -18.194 215 H ASN 29 HN ASN 29 4.657 -14.159 -14.159 216 HA ASN 29 HA ASN 29 6.548 -12.048 -12.048 217 1HB ASN 29 HB2 ASN 29 6.967 -12.369 -12.369 218 2HB ASN 29 HB1 ASN 29 7.942 -13.318 -13.318 219 1HD2 ASN 29 HD21 ASN 29 7.271 -15.615 -15.615 220 2HD2 ASN 29 HD22 ASN 29 6.369 -16.406 -16.406 221 H ARG 30 HN ARG 30 3.843 -12.170 -12.170 222 HA ARG 30 HA ARG 30 2.484 -11.211 -11.211 223 1HB ARG 30 HB2 ARG 30 1.371 -12.027 -12.027 224 2HB ARG 30 HB1 ARG 30 0.404 -11.470 -11.470 225 1HG ARG 30 HG2 ARG 30 1.876 -13.426 -13.426 226 2HG ARG 30 HG1 ARG 30 1.747 -14.092 -14.092 227 1HD ARG 30 HD2 ARG 30 -0.398 -13.548 -13.548 228 2HD ARG 30 HD1 ARG 30 -0.204 -14.933 -14.933 229 HE ARG 30 HE ARG 30 -1.855 -12.701 -12.701 230 1HH1 ARG 30 HH21 ARG 30 0.708 -14.430 -14.430 231 2HH1 ARG 30 HH22 ARG 30 0.263 -13.905 -13.905 232 1HH2 ARG 30 HH11 ARG 30 -2.448 -12.036 -12.036 233 2HH2 ARG 30 HH12 ARG 30 -1.530 -12.553 -12.553 234 H THR 31 HN THR 31 2.692 -9.042 -9.042 235 HA THR 31 HA THR 31 3.250 -7.183 -7.183 236 HB THR 31 HB THR 31 1.872 -6.742 -6.742 237 HG1 THR 31 HG1 THR 31 4.542 -6.871 -6.871 238 1HG2 THR 31 HG22 THR 31 2.769 -4.906 -4.906 239 2HG2 THR 31 HG21 THR 31 3.149 -4.426 -4.426 240 3HG2 THR 31 HG23 THR 31 1.474 -4.707 -4.707 241 H LEU 32 HN LEU 32 1.716 -7.674 -7.674 242 HA LEU 32 HA LEU 32 -1.134 -7.549 -7.549 243 1HB LEU 32 HB2 LEU 32 -1.495 -7.878 -7.878 244 2HB LEU 32 HB1 LEU 32 -0.217 -8.958 -8.958 245 HG LEU 32 HG LEU 32 0.478 -8.041 -8.041 246 1HD1 LEU 32 HD11 LEU 32 2.200 -8.092 -8.092 247 2HD1 LEU 32 HD13 LEU 32 1.904 -6.367 -6.367 248 3HD1 LEU 32 HD12 LEU 32 2.537 -6.952 -6.952 249 1HD2 LEU 32 HD21 LEU 32 -1.138 -5.958 -5.958 250 2HD2 LEU 32 HD23 LEU 32 0.204 -5.869 -5.869 251 3HD2 LEU 32 HD22 LEU 32 0.382 -5.200 -5.200 252 H GLU 33 HN GLU 33 1.271 -5.201 -5.201 253 HA GLU 33 HA GLU 33 -0.660 -3.186 -3.186 254 1HB GLU 33 HB2 GLU 33 1.734 -3.225 -3.225 255 2HB GLU 33 HB1 GLU 33 2.217 -2.796 -2.796 256 1HG GLU 33 HG2 GLU 33 2.081 -0.746 -0.746 257 2HG GLU 33 HG1 GLU 33 0.702 -0.780 -0.780 258 H GLY 34 HN GLY 34 1.723 -2.967 -2.967 259 1HA GLY 34 HA2 GLY 34 -0.034 -2.779 -2.779 260 2HA GLY 34 HA1 GLY 34 0.204 -1.138 -1.138 261 H GLY 35 HN GLY 35 2.900 -2.220 -2.220 262 1HA GLY 35 HA2 GLY 35 4.461 -2.725 -2.725 263 2HA GLY 35 HA1 GLY 35 4.673 -1.089 -1.089 264 H ARG 36 HN ARG 36 3.929 -3.637 -3.637 265 HA ARG 36 HA ARG 36 6.765 -3.624 -3.624 266 1HB ARG 36 HB2 ARG 36 4.372 -4.070 -4.070 267 2HB ARG 36 HB1 ARG 36 6.008 -3.606 -3.606 268 1HG ARG 36 HG2 ARG 36 4.254 -1.818 -1.818 269 2HG ARG 36 HG1 ARG 36 4.226 -1.752 -1.752 270 1HD ARG 36 HD2 ARG 36 6.696 -1.381 -1.381 271 2HD ARG 36 HD1 ARG 36 5.781 -0.072 -0.072 272 HE ARG 36 HE ARG 36 7.806 -1.662 -1.662 273 1HH1 ARG 36 HH21 ARG 36 4.636 -0.419 -0.419 274 2HH1 ARG 36 HH22 ARG 36 4.774 -0.564 -0.564 275 1HH2 ARG 36 HH11 ARG 36 7.983 -1.849 -1.849 276 2HH2 ARG 36 HH12 ARG 36 6.653 -1.378 -1.378 277 H LYS 37 HN LYS 37 6.564 -5.659 -5.659 278 HA LYS 37 HA LYS 37 5.516 -8.029 -8.029 279 1HB LYS 37 HB2 LYS 37 7.583 -9.119 -9.119 280 2HB LYS 37 HB1 LYS 37 8.066 -7.456 -7.456 281 1HG LYS 37 HG2 LYS 37 8.153 -8.921 -8.921 282 2HG LYS 37 HG1 LYS 37 9.534 -8.484 -8.484 283 1HD LYS 37 HD2 LYS 37 7.609 -6.510 -6.510 284 2HD LYS 37 HD1 LYS 37 9.223 -6.878 -6.878 285 1HE LYS 37 HE2 LYS 37 8.407 -5.404 -5.404 286 2HE LYS 37 HE1 LYS 37 9.577 -4.938 -4.938 287 1HZ LYS 37 HZ2 LYS 37 10.914 -6.899 -6.899 288 2HZ LYS 37 HZ1 LYS 37 9.865 -7.030 -7.030 289 3HZ LYS 37 HZ3 LYS 37 10.802 -5.631 -5.631 290 HA PRO 38 HA PRO 38 4.457 -9.411 -9.411 291 1HB PRO 38 HB2 PRO 38 4.966 -12.145 -12.145 292 2HB PRO 38 HB1 PRO 38 3.554 -11.354 -11.354 293 1HG PRO 38 HG2 PRO 38 5.865 -12.542 -12.542 294 2HG PRO 38 HG1 PRO 38 4.332 -11.997 -11.997 295 1HD PRO 38 HD2 PRO 38 6.904 -10.651 -10.651 296 2HD PRO 38 HD1 PRO 38 5.395 -10.145 -10.145 297 H LEU 39 HN LEU 39 7.351 -8.602 -8.602 298 HA LEU 39 HA LEU 39 8.456 -10.297 -10.297 299 1HB LEU 39 HB2 LEU 39 9.518 -10.654 -10.654 300 2HB LEU 39 HB1 LEU 39 10.042 -8.983 -8.983 301 HG LEU 39 HG LEU 39 11.645 -9.381 -9.381 302 1HD1 LEU 39 HD11 LEU 39 10.005 -11.768 -11.768 303 2HD1 LEU 39 HD13 LEU 39 11.604 -11.390 -11.390 304 3HD1 LEU 39 HD12 LEU 39 10.277 -10.269 -10.269 305 1HD2 LEU 39 HD22 LEU 39 11.927 -10.828 -10.828 306 2HD2 LEU 39 HD21 LEU 39 12.923 -11.236 -11.236 307 3HD2 LEU 39 HD23 LEU 39 11.483 -12.188 -12.188 308 H HIS 40 HN HIS 40 7.798 -7.117 -7.117 309 HA HIS 40 HA HIS 40 9.640 -5.691 -5.691 310 1HB HIS 40 HB2 HIS 40 8.784 -4.575 -4.575 311 2HB HIS 40 HB1 HIS 40 7.119 -4.829 -4.829 312 HD1 HIS 40 HD1 HIS 40 9.979 -2.533 -2.533 313 HD2 HIS 40 HD2 HIS 40 6.400 -3.256 -3.256 314 HE1 HIS 40 HE1 HIS 40 9.582 -0.531 -0.531 315 H TYR 41 HN TYR 41 6.150 -6.436 -6.436 316 HA TYR 41 HA TYR 41 5.829 -5.226 -5.226 317 1HB TYR 41 HB2 TYR 41 4.134 -7.475 -7.475 318 2HB TYR 41 HB1 TYR 41 3.642 -6.126 -6.126 319 HD1 TYR 41 HD1 TYR 41 4.766 -7.060 -7.060 320 HD2 TYR 41 HD2 TYR 41 3.115 -3.980 -3.980 321 HE1 TYR 41 HE1 TYR 41 4.304 -5.678 -5.678 322 HE2 TYR 41 HE2 TYR 41 2.652 -2.601 -2.601 323 HH TYR 41 HH TYR 41 3.874 -2.615 -2.615 324 H ALA 42 HN ALA 42 6.595 -8.455 -8.455 325 HA ALA 42 HA ALA 42 6.535 -9.760 -9.760 326 1HB ALA 42 HB1 ALA 42 6.635 -10.884 -10.884 327 2HB ALA 42 HB3 ALA 42 8.341 -10.449 -10.449 328 3HB ALA 42 HB2 ALA 42 7.734 -11.542 -11.542 329 H ALA 43 HN ALA 43 9.215 -8.537 -8.537 330 HA ALA 43 HA ALA 43 11.258 -8.788 -8.788 331 1HB ALA 43 HB2 ALA 43 10.874 -6.735 -6.735 332 2HB ALA 43 HB1 ALA 43 12.374 -6.946 -6.946 333 3HB ALA 43 HB3 ALA 43 11.770 -8.249 -8.249 334 H ASP 44 HN ASP 44 9.469 -5.841 -5.841 335 HA ASP 44 HA ASP 44 10.330 -4.159 -4.159 336 1HB ASP 44 HB2 ASP 44 8.935 -3.509 -3.509 337 2HB ASP 44 HB1 ASP 44 7.535 -4.215 -4.215 338 H CYS 45 HN CYS 45 7.676 -6.554 -6.554 339 HA CYS 45 HA CYS 45 7.833 -6.454 -6.454 340 1HB CYS 45 HB2 CYS 45 5.420 -5.442 -5.442 341 2HB CYS 45 HB1 CYS 45 5.348 -5.926 -5.926 342 HG CYS 45 HG CYS 45 6.726 -3.911 -3.911 343 H GLY 46 HN GLY 46 8.388 -8.687 -8.687 344 1HA GLY 46 HA2 GLY 46 5.843 -10.269 -10.269 345 2HA GLY 46 HA1 GLY 46 7.302 -10.685 -10.685 346 H GLN 47 HN GLN 47 7.279 -9.620 -9.620 347 HA GLN 47 HA GLN 47 8.208 -10.727 -10.727 348 1HB GLN 47 HB2 GLN 47 6.520 -12.866 -12.866 349 2HB GLN 47 HB1 GLN 47 7.356 -13.149 -13.149 350 1HG GLN 47 HG2 GLN 47 4.948 -12.346 -12.346 351 2HG GLN 47 HG1 GLN 47 6.136 -11.410 -11.410 352 1HE2 GLN 47 HE21 GLN 47 4.991 -11.386 -11.386 353 2HE2 GLN 47 HE22 GLN 47 4.720 -9.711 -9.711 354 H LEU 48 HN LEU 48 9.406 -10.877 -10.877 355 HA LEU 48 HA LEU 48 11.365 -11.640 -11.640 356 1HB LEU 48 HB2 LEU 48 11.848 -12.329 -12.329 357 2HB LEU 48 HB1 LEU 48 13.032 -12.674 -12.674 358 HG LEU 48 HG LEU 48 13.762 -10.552 -10.552 359 1HD1 LEU 48 HD12 LEU 48 10.920 -9.740 -9.740 360 2HD1 LEU 48 HD11 LEU 48 12.290 -8.642 -8.642 361 3HD1 LEU 48 HD13 LEU 48 12.241 -9.961 -9.961 362 1HD2 LEU 48 HD21 LEU 48 11.465 -10.183 -10.183 363 2HD2 LEU 48 HD23 LEU 48 13.153 -10.505 -10.505 364 3HD2 LEU 48 HD22 LEU 48 12.690 -8.949 -8.949 365 H GLU 49 HN GLU 49 9.043 -13.653 -13.653 366 HA GLU 49 HA GLU 49 10.477 -16.140 -16.140 367 1HB GLU 49 HB2 GLU 49 8.030 -17.077 -17.077 368 2HB GLU 49 HB1 GLU 49 9.101 -16.674 -16.674 369 1HG GLU 49 HG2 GLU 49 8.076 -14.498 -14.498 370 2HG GLU 49 HG1 GLU 49 7.107 -14.745 -14.745 371 H ILE 50 HN ILE 50 7.875 -14.027 -14.027 372 HA ILE 50 HA ILE 50 6.897 -15.579 -15.579 373 HB ILE 50 HB ILE 50 6.976 -12.574 -12.574 374 1HG1 ILE 50 HG12 ILE 50 5.688 -14.598 -14.598 375 2HG1 ILE 50 HG11 ILE 50 5.695 -12.851 -12.851 376 1HG2 ILE 50 HG22 ILE 50 5.098 -14.445 -14.445 377 2HG2 ILE 50 HG21 ILE 50 4.921 -12.693 -12.693 378 3HG2 ILE 50 HG23 ILE 50 6.298 -13.390 -13.390 379 1HD1 ILE 50 HD11 ILE 50 3.879 -14.230 -14.230 380 2HD1 ILE 50 HD13 ILE 50 3.402 -13.933 -13.933 381 3HD1 ILE 50 HD12 ILE 50 3.772 -12.578 -12.578 382 H LEU 51 HN LEU 51 9.285 -12.923 -12.923 383 HA LEU 51 HA LEU 51 9.689 -12.867 -12.867 384 1HB LEU 51 HB2 LEU 51 12.276 -12.551 -12.551 385 2HB LEU 51 HB1 LEU 51 11.097 -11.265 -11.265 386 HG LEU 51 HG LEU 51 12.269 -11.166 -11.166 387 1HD1 LEU 51 HD12 LEU 51 9.476 -11.225 -11.225 388 2HD1 LEU 51 HD11 LEU 51 9.837 -12.149 -12.149 389 3HD1 LEU 51 HD13 LEU 51 10.423 -10.498 -10.498 390 1HD2 LEU 51 HD23 LEU 51 12.646 -13.742 -13.742 391 2HD2 LEU 51 HD22 LEU 51 12.538 -12.913 -12.913 392 3HD2 LEU 51 HD21 LEU 51 11.142 -13.801 -13.801 393 H GLU 52 HN GLU 52 11.455 -15.001 -15.001 394 HA GLU 52 HA GLU 52 13.008 -16.365 -16.365 395 1HB GLU 52 HB2 GLU 52 11.712 -17.853 -17.853 396 2HB GLU 52 HB1 GLU 52 13.320 -18.069 -18.069 397 1HG GLU 52 HG2 GLU 52 13.963 -15.833 -15.833 398 2HG GLU 52 HG1 GLU 52 12.366 -15.718 -15.718 399 H PHE 53 HN PHE 53 9.630 -16.899 -16.899 400 HA PHE 53 HA PHE 53 9.250 -19.411 -19.411 401 1HB PHE 53 HB2 PHE 53 7.614 -18.378 -18.378 402 2HB PHE 53 HB1 PHE 53 7.270 -17.148 -17.148 403 HD1 PHE 53 HD1 PHE 53 7.532 -20.891 -20.891 404 HD2 PHE 53 HD2 PHE 53 5.427 -17.498 -17.498 405 HE1 PHE 53 HE1 PHE 53 5.905 -22.412 -22.412 406 HE2 PHE 53 HE2 PHE 53 3.801 -19.015 -19.015 407 HZ PHE 53 HZ PHE 53 4.038 -21.471 -21.471 408 H LEU 54 HN LEU 54 7.533 -16.696 -16.696 409 HA LEU 54 HA LEU 54 7.379 -17.889 -17.889 410 1HB LEU 54 HB2 LEU 54 6.753 -15.756 -15.756 411 2HB LEU 54 HB1 LEU 54 6.059 -15.912 -15.912 412 HG LEU 54 HG LEU 54 6.863 -13.734 -13.734 413 1HD1 LEU 54 HD13 LEU 54 7.827 -15.003 -15.003 414 2HD1 LEU 54 HD12 LEU 54 9.283 -15.283 -15.283 415 3HD1 LEU 54 HD11 LEU 54 8.841 -13.654 -13.654 416 1HD2 LEU 54 HD21 LEU 54 8.061 -14.134 -14.134 417 2HD2 LEU 54 HD23 LEU 54 8.685 -12.880 -12.880 418 3HD2 LEU 54 HD22 LEU 54 9.491 -14.443 -14.443 419 H LEU 55 HN LEU 55 10.214 -16.977 -16.977 420 HA LEU 55 HA LEU 55 11.557 -16.229 -16.229 421 1HB LEU 55 HB2 LEU 55 12.004 -15.252 -15.252 422 2HB LEU 55 HB1 LEU 55 12.999 -16.688 -16.688 423 HG LEU 55 HG LEU 55 13.278 -14.711 -14.711 424 1HD1 LEU 55 HD11 LEU 55 14.744 -15.008 -15.008 425 2HD1 LEU 55 HD13 LEU 55 15.408 -14.116 -14.116 426 3HD1 LEU 55 HD12 LEU 55 13.907 -13.580 -13.580 427 1HD2 LEU 55 HD22 LEU 55 14.680 -17.241 -17.241 428 2HD2 LEU 55 HD21 LEU 55 14.265 -16.669 -16.669 429 3HD2 LEU 55 HD23 LEU 55 15.625 -15.959 -15.959 430 H LEU 56 HN LEU 56 11.395 -18.960 -18.960 431 HA LEU 56 HA LEU 56 13.572 -20.390 -20.390 432 1HB LEU 56 HB2 LEU 56 12.057 -22.493 -22.493 433 2HB LEU 56 HB1 LEU 56 13.138 -21.581 -21.581 434 HG LEU 56 HG LEU 56 11.041 -20.059 -20.059 435 1HD1 LEU 56 HD13 LEU 56 9.816 -22.660 -22.660 436 2HD1 LEU 56 HD12 LEU 56 8.939 -21.404 -21.404 437 3HD1 LEU 56 HD11 LEU 56 9.591 -21.069 -21.069 438 1HD2 LEU 56 HD22 LEU 56 11.424 -22.857 -22.857 439 2HD2 LEU 56 HD21 LEU 56 12.066 -21.356 -21.356 440 3HD2 LEU 56 HD23 LEU 56 10.333 -21.675 -21.675 441 H LYS 57 HN LYS 57 10.222 -20.138 -20.138 442 HA LYS 57 HA LYS 57 10.453 -22.233 -22.233 443 1HB LYS 57 HB2 LYS 57 8.419 -20.221 -20.221 444 2HB LYS 57 HB1 LYS 57 8.444 -20.597 -20.597 445 1HG LYS 57 HG2 LYS 57 6.914 -22.134 -22.134 446 2HG LYS 57 HG1 LYS 57 8.360 -23.043 -23.043 447 1HD LYS 57 HD2 LYS 57 9.210 -22.755 -22.755 448 2HD LYS 57 HD1 LYS 57 7.717 -21.916 -21.916 449 1HE LYS 57 HE2 LYS 57 6.400 -23.901 -23.901 450 2HE LYS 57 HE1 LYS 57 7.833 -24.742 -24.742 451 1HZ LYS 57 HZ2 LYS 57 7.769 -23.656 -23.656 452 2HZ LYS 57 HZ1 LYS 57 7.039 -25.152 -25.152 453 3HZ LYS 57 HZ3 LYS 57 8.697 -24.936 -24.936 454 H GLY 58 HN GLY 58 9.398 -19.192 -19.192 455 1HA GLY 58 HA2 GLY 58 11.595 -19.208 -19.208 456 2HA GLY 58 HA1 GLY 58 10.308 -17.999 -17.999 457 H ALA 59 HN ALA 59 11.485 -16.054 -16.054 458 HA ALA 59 HA ALA 59 12.551 -15.407 -15.407 459 1HB ALA 59 HB3 ALA 59 14.363 -17.021 -17.021 460 2HB ALA 59 HB2 ALA 59 14.826 -15.625 -15.625 461 3HB ALA 59 HB1 ALA 59 14.873 -15.534 -15.534 462 H ASP 60 HN ASP 60 11.292 -13.553 -13.553 463 HA ASP 60 HA ASP 60 11.953 -11.781 -11.781 464 1HB ASP 60 HB2 ASP 60 9.691 -11.919 -11.919 465 2HB ASP 60 HB1 ASP 60 10.475 -11.038 -11.038 466 H ILE 61 HN ILE 61 13.579 -12.759 -12.759 467 HA ILE 61 HA ILE 61 14.567 -10.582 -10.582 468 HB ILE 61 HB ILE 61 15.052 -13.032 -13.032 469 1HG1 ILE 61 HG12 ILE 61 17.302 -11.016 -11.016 470 2HG1 ILE 61 HG11 ILE 61 16.397 -11.596 -11.596 471 1HG2 ILE 61 HG23 ILE 61 15.604 -13.358 -13.358 472 2HG2 ILE 61 HG22 ILE 61 17.174 -12.634 -12.634 473 3HG2 ILE 61 HG21 ILE 61 16.697 -14.137 -14.137 474 1HD1 ILE 61 HD12 ILE 61 17.431 -13.942 -13.942 475 2HD1 ILE 61 HD11 ILE 61 18.717 -12.816 -12.816 476 3HD1 ILE 61 HD13 ILE 61 18.195 -12.957 -12.957 477 H ASN 62 HN ASN 62 15.199 -11.523 -11.523 478 HA ASN 62 HA ASN 62 17.013 -9.184 -9.184 479 1HB ASN 62 HB2 ASN 62 18.428 -10.508 -10.508 480 2HB ASN 62 HB1 ASN 62 18.419 -11.184 -11.184 481 1HD2 ASN 62 HD21 ASN 62 15.739 -12.392 -12.392 482 2HD2 ASN 62 HD22 ASN 62 15.874 -13.693 -13.693 483 H ALA 63 HN ALA 63 15.033 -11.554 -11.554 484 HA ALA 63 HA ALA 63 14.757 -10.957 -10.957 485 1HB ALA 63 HB3 ALA 63 13.060 -12.080 -12.080 486 2HB ALA 63 HB2 ALA 63 12.146 -10.614 -10.614 487 3HB ALA 63 HB1 ALA 63 12.602 -11.698 -11.698 488 HA PRO 64 HA PRO 64 12.004 -6.771 -6.771 489 1HB PRO 64 HB2 PRO 64 14.552 -5.970 -5.970 490 2HB PRO 64 HB1 PRO 64 12.886 -5.467 -5.467 491 1HG PRO 64 HG2 PRO 64 14.285 -7.539 -7.539 492 2HG PRO 64 HG1 PRO 64 12.531 -7.276 -7.276 493 1HD PRO 64 HD2 PRO 64 13.823 -9.522 -9.522 494 2HD PRO 64 HD1 PRO 64 12.134 -9.074 -9.074 495 H ASP 65 HN ASP 65 12.007 -5.517 -5.517 496 HA ASP 65 HA ASP 65 14.536 -4.862 -4.862 497 1HB ASP 65 HB2 ASP 65 11.943 -5.967 -5.967 498 2HB ASP 65 HB1 ASP 65 13.090 -5.104 -5.104 499 H LYS 66 HN LYS 66 11.033 -4.130 -4.130 500 HA LYS 66 HA LYS 66 11.473 -1.375 -1.375 501 1HB LYS 66 HB2 LYS 66 9.446 -2.867 -2.867 502 2HB LYS 66 HB1 LYS 66 8.907 -2.501 -2.501 503 1HG LYS 66 HG2 LYS 66 7.918 -0.781 -0.781 504 2HG LYS 66 HG1 LYS 66 9.426 -0.020 -0.020 505 1HD LYS 66 HD2 LYS 66 10.394 -0.563 -0.563 506 2HD LYS 66 HD1 LYS 66 8.909 -1.386 -1.386 507 1HE LYS 66 HE2 LYS 66 9.222 1.563 1.563 508 2HE LYS 66 HE1 LYS 66 8.882 0.847 0.847 509 1HZ LYS 66 HZ1 LYS 66 6.951 -0.190 -0.190 510 2HZ LYS 66 HZ3 LYS 66 7.100 1.393 1.393 511 3HZ LYS 66 HZ2 LYS 66 6.755 1.129 1.129 512 H HIS 67 HN HIS 67 11.231 -3.144 -3.144 513 HA HIS 67 HA HIS 67 10.559 -0.870 -0.870 514 1HB HIS 67 HB2 HIS 67 11.815 -3.452 -3.452 515 2HB HIS 67 HB1 HIS 67 10.643 -2.450 -2.450 516 HD1 HIS 67 HD1 HIS 67 10.486 -5.601 -5.601 517 HD2 HIS 67 HD2 HIS 67 8.374 -2.312 -2.312 518 HE1 HIS 67 HE1 HIS 67 8.409 -6.520 -6.520 519 H HIS 68 HN HIS 68 13.178 -1.663 -1.663 520 HA HIS 68 HA HIS 68 15.506 -1.346 -1.346 521 1HB HIS 68 HB2 HIS 68 15.991 1.019 1.019 522 2HB HIS 68 HB1 HIS 68 14.725 0.876 0.876 523 HD1 HIS 68 HD1 HIS 68 12.382 1.660 1.660 524 HD2 HIS 68 HD2 HIS 68 15.000 1.682 1.682 525 HE1 HIS 68 HE1 HIS 68 11.173 2.836 2.836 526 H ILE 69 HN ILE 69 14.167 -2.620 -2.620 527 HA ILE 69 HA ILE 69 16.528 -2.325 -2.325 528 HB ILE 69 HB ILE 69 14.357 -0.606 -0.606 529 1HG1 ILE 69 HG12 ILE 69 16.748 -0.183 -0.183 530 2HG1 ILE 69 HG11 ILE 69 15.757 0.109 0.109 531 1HG2 ILE 69 HG21 ILE 69 14.629 -2.772 -2.772 532 2HG2 ILE 69 HG23 ILE 69 13.728 -1.276 -1.276 533 3HG2 ILE 69 HG22 ILE 69 13.199 -2.469 -2.469 534 1HD1 ILE 69 HD13 ILE 69 16.353 -2.488 -2.488 535 2HD1 ILE 69 HD12 ILE 69 17.777 -2.024 -2.024 536 3HD1 ILE 69 HD11 ILE 69 17.375 -1.182 -1.182 537 H THR 70 HN THR 70 16.738 -3.807 -3.807 538 HA THR 70 HA THR 70 14.911 -6.138 -6.138 539 HB THR 70 HB THR 70 17.055 -6.908 -6.908 540 HG1 THR 70 HG1 THR 70 16.574 -8.201 -8.201 541 1HG2 THR 70 HG21 THR 70 17.990 -4.784 -4.784 542 2HG2 THR 70 HG23 THR 70 19.090 -6.022 -6.022 543 3HG2 THR 70 HG22 THR 70 18.296 -4.908 -4.908 544 HA PRO 71 HA PRO 71 13.325 -4.967 -4.967 545 1HB PRO 71 HB2 PRO 71 13.066 -7.739 -7.739 546 2HB PRO 71 HB1 PRO 71 11.806 -6.579 -6.579 547 1HG PRO 71 HG2 PRO 71 12.474 -8.762 -8.762 548 2HG PRO 71 HG1 PRO 71 11.756 -7.278 -7.278 549 1HD PRO 71 HD2 PRO 71 14.594 -8.203 -8.203 550 2HD PRO 71 HD1 PRO 71 13.669 -7.229 -7.229 551 H LEU 72 HN LEU 72 16.375 -6.732 -6.732 552 HA LEU 72 HA LEU 72 16.539 -7.011 -7.011 553 1HB LEU 72 HB2 LEU 72 19.084 -6.097 -6.097 554 2HB LEU 72 HB1 LEU 72 18.745 -7.526 -7.526 555 HG LEU 72 HG LEU 72 19.335 -8.469 -8.469 556 1HD1 LEU 72 HD12 LEU 72 16.636 -8.644 -8.644 557 2HD1 LEU 72 HD11 LEU 72 16.627 -8.245 -8.245 558 3HD1 LEU 72 HD13 LEU 72 17.494 -9.657 -9.657 559 1HD2 LEU 72 HD23 LEU 72 19.600 -6.287 -6.287 560 2HD2 LEU 72 HD22 LEU 72 18.872 -7.503 -7.503 561 3HD2 LEU 72 HD21 LEU 72 17.865 -6.254 -6.254 562 H LEU 73 HN LEU 73 17.085 -4.237 -4.237 563 HA LEU 73 HA LEU 73 17.969 -2.510 -2.510 564 1HB LEU 73 HB2 LEU 73 16.696 -1.780 -1.780 565 2HB LEU 73 HB1 LEU 73 17.472 -0.643 -0.643 566 HG LEU 73 HG LEU 73 19.505 -2.347 -2.347 567 1HD1 LEU 73 HD13 LEU 73 17.652 -3.334 -3.334 568 2HD1 LEU 73 HD12 LEU 73 19.111 -2.762 -2.762 569 3HD1 LEU 73 HD11 LEU 73 19.216 -3.988 -3.988 570 1HD2 LEU 73 HD22 LEU 73 18.648 -0.160 -0.160 571 2HD2 LEU 73 HD21 LEU 73 19.942 -0.156 -0.156 572 3HD2 LEU 73 HD23 LEU 73 20.137 -1.047 -1.047 573 H SER 74 HN SER 74 14.882 -3.654 -3.654 574 HA SER 74 HA SER 74 13.223 -1.598 -1.598 575 1HB SER 74 HB2 SER 74 12.437 -3.532 -3.532 576 2HB SER 74 HB1 SER 74 12.648 -4.576 -4.576 577 HG SER 74 HG SER 74 10.805 -3.873 -3.873 578 H ALA 75 HN ALA 75 14.526 -4.508 -4.508 579 HA ALA 75 HA ALA 75 13.406 -3.860 -3.860 580 1HB ALA 75 HB3 ALA 75 15.598 -5.751 -5.751 581 2HB ALA 75 HB2 ALA 75 15.066 -5.603 -5.603 582 3HB ALA 75 HB1 ALA 75 13.938 -6.154 -6.154 583 H VAL 76 HN VAL 76 16.486 -3.220 -3.220 584 HA VAL 76 HA VAL 76 18.146 -2.457 -2.457 585 HB VAL 76 HB VAL 76 17.672 -1.166 -1.166 586 1HG1 VAL 76 HG12 VAL 76 18.738 0.354 0.354 587 2HG1 VAL 76 HG11 VAL 76 20.150 -0.663 -0.663 588 3HG1 VAL 76 HG13 VAL 76 19.474 0.272 0.272 589 1HG2 VAL 76 HG23 VAL 76 18.554 -3.492 -3.492 590 2HG2 VAL 76 HG22 VAL 76 19.746 -2.374 -2.374 591 3HG2 VAL 76 HG21 VAL 76 19.886 -2.932 -2.932 592 H TYR 77 HN TYR 77 15.937 -0.074 -0.074 593 HA TYR 77 HA TYR 77 16.196 1.757 1.757 594 1HB TYR 77 HB2 TYR 77 13.974 2.042 2.042 595 2HB TYR 77 HB1 TYR 77 15.061 3.271 3.271 596 HD1 TYR 77 HD2 TYR 77 17.448 3.373 3.373 597 HD2 TYR 77 HD1 TYR 77 14.470 0.871 0.871 598 HE1 TYR 77 HE2 TYR 77 18.859 3.157 3.157 599 HE2 TYR 77 HE1 TYR 77 15.885 0.651 0.651 600 HH TYR 77 HH TYR 77 18.289 2.616 2.616 601 H GLU 78 HN GLU 78 15.235 -0.808 -0.808 602 HA GLU 78 HA GLU 78 12.447 -0.096 -0.096 603 1HB GLU 78 HB2 GLU 78 12.762 -2.079 -2.079 604 2HB GLU 78 HB1 GLU 78 13.390 -2.947 -2.947 605 1HG GLU 78 HG2 GLU 78 11.025 -3.405 -3.405 606 2HG GLU 78 HG1 GLU 78 11.270 -2.288 -2.288 607 H GLY 79 HN GLY 79 15.583 -1.321 -1.321 608 1HA GLY 79 HA2 GLY 79 16.460 -1.285 -1.285 609 2HA GLY 79 HA1 GLY 79 14.822 -1.020 -1.020 610 H HIS 80 HN HIS 80 14.393 -3.322 -3.322 611 HA HIS 80 HA HIS 80 14.255 -5.467 -5.467 612 1HB HIS 80 HB2 HIS 80 13.447 -5.077 -5.077 613 2HB HIS 80 HB1 HIS 80 13.665 -6.728 -6.728 614 HD1 HIS 80 HD1 HIS 80 11.443 -7.646 -7.646 615 HD2 HIS 80 HD2 HIS 80 11.812 -3.634 -3.634 616 HE1 HIS 80 HE1 HIS 80 9.288 -7.019 -7.019 617 H VAL 81 HN VAL 81 15.773 -5.138 -5.138 618 HA VAL 81 HA VAL 81 17.551 -6.373 -6.373 619 HB VAL 81 HB VAL 81 19.660 -5.818 -5.818 620 1HG1 VAL 81 HG12 VAL 81 18.696 -4.752 -4.752 621 2HG1 VAL 81 HG11 VAL 81 18.115 -3.483 -3.483 622 3HG1 VAL 81 HG13 VAL 81 19.844 -3.818 -3.818 623 1HG2 VAL 81 HG22 VAL 81 18.291 -5.221 -5.221 624 2HG2 VAL 81 HG21 VAL 81 19.262 -3.867 -3.867 625 3HG2 VAL 81 HG23 VAL 81 17.538 -3.924 -3.924 626 H SER 82 HN SER 82 15.922 -7.776 -7.776 627 HA SER 82 HA SER 82 17.899 -9.739 -9.739 628 1HB SER 82 HB2 SER 82 15.018 -9.173 -9.173 629 2HB SER 82 HB1 SER 82 15.399 -10.890 -10.890 630 HG SER 82 HG SER 82 15.610 -10.123 -10.123 631 H CYS 83 HN CYS 83 15.938 -8.972 -8.972 632 HA CYS 83 HA CYS 83 15.843 -11.644 -11.644 633 1HB CYS 83 HB2 CYS 83 15.040 -10.030 -10.030 634 2HB CYS 83 HB1 CYS 83 13.960 -10.464 -10.464 635 HG CYS 83 HG CYS 83 13.946 -7.863 -7.863 636 H VAL 84 HN VAL 84 17.209 -8.466 -8.466 637 HA VAL 84 HA VAL 84 18.772 -9.129 -9.129 638 HB VAL 84 HB VAL 84 20.521 -7.582 -7.582 639 1HG1 VAL 84 HG13 VAL 84 18.330 -6.726 -6.726 640 2HG1 VAL 84 HG12 VAL 84 17.769 -6.569 -6.569 641 3HG1 VAL 84 HG11 VAL 84 19.145 -5.617 -5.617 642 1HG2 VAL 84 HG21 VAL 84 19.066 -8.039 -8.039 643 2HG2 VAL 84 HG23 VAL 84 20.793 -8.093 -8.093 644 3HG2 VAL 84 HG22 VAL 84 19.964 -6.544 -6.544 645 H LYS 85 HN LYS 85 19.446 -9.936 -9.936 646 HA LYS 85 HA LYS 85 21.965 -11.191 -11.191 647 1HB LYS 85 HB2 LYS 85 19.893 -11.374 -11.374 648 2HB LYS 85 HB1 LYS 85 21.357 -12.335 -12.335 649 1HG LYS 85 HG2 LYS 85 22.428 -9.893 -9.893 650 2HG LYS 85 HG1 LYS 85 21.011 -9.406 -9.406 651 1HD LYS 85 HD2 LYS 85 22.587 -9.699 -9.699 652 2HD LYS 85 HD1 LYS 85 21.803 -11.278 -11.278 653 1HE LYS 85 HE2 LYS 85 23.638 -11.921 -11.921 654 2HE LYS 85 HE1 LYS 85 24.487 -10.496 -10.496 655 1HZ LYS 85 HZ3 LYS 85 23.457 -12.040 -12.040 656 2HZ LYS 85 HZ2 LYS 85 24.440 -13.000 -13.000 657 3HZ LYS 85 HZ1 LYS 85 25.058 -11.575 -11.575 658 H LEU 86 HN LEU 86 18.857 -12.837 -12.837 659 HA LEU 86 HA LEU 86 19.767 -15.388 -15.388 660 1HB LEU 86 HB2 LEU 86 17.906 -15.938 -15.938 661 2HB LEU 86 HB1 LEU 86 17.439 -14.249 -14.249 662 HG LEU 86 HG LEU 86 15.647 -15.511 -15.511 663 1HD1 LEU 86 HD11 LEU 86 16.808 -13.310 -13.310 664 2HD1 LEU 86 HD13 LEU 86 16.420 -14.436 -14.436 665 3HD1 LEU 86 HD12 LEU 86 15.162 -13.894 -13.894 666 1HD2 LEU 86 HD21 LEU 86 17.775 -16.976 -16.976 667 2HD2 LEU 86 HD23 LEU 86 16.066 -17.389 -17.389 668 3HD2 LEU 86 HD22 LEU 86 16.646 -16.413 -16.413 669 H LEU 87 HN LEU 87 19.142 -12.599 -12.599 670 HA LEU 87 HA LEU 87 17.952 -13.848 -13.848 671 1HB LEU 87 HB2 LEU 87 18.324 -11.189 -11.189 672 2HB LEU 87 HB1 LEU 87 19.118 -11.297 -11.297 673 HG LEU 87 HG LEU 87 16.319 -12.328 -12.328 674 1HD1 LEU 87 HD13 LEU 87 17.279 -9.577 -9.577 675 2HD1 LEU 87 HD12 LEU 87 15.680 -10.168 -10.168 676 3HD1 LEU 87 HD11 LEU 87 16.111 -10.012 -10.012 677 1HD2 LEU 87 HD22 LEU 87 17.655 -13.132 -13.132 678 2HD2 LEU 87 HD21 LEU 87 16.160 -12.302 -12.302 679 3HD2 LEU 87 HD23 LEU 87 17.706 -11.463 -11.463 680 H LEU 88 HN LEU 88 21.112 -12.079 -12.079 681 HA LEU 88 HA LEU 88 22.055 -13.036 -13.036 682 1HB LEU 88 HB2 LEU 88 24.240 -12.377 -12.377 683 2HB LEU 88 HB1 LEU 88 23.200 -11.247 -11.247 684 HG LEU 88 HG LEU 88 24.888 -11.836 -11.836 685 1HD1 LEU 88 HD12 LEU 88 22.426 -12.057 -12.057 686 2HD1 LEU 88 HD11 LEU 88 22.736 -13.791 -13.791 687 3HD1 LEU 88 HD13 LEU 88 23.669 -12.720 -12.720 688 1HD2 LEU 88 HD22 LEU 88 25.239 -14.107 -14.107 689 2HD2 LEU 88 HD21 LEU 88 25.973 -13.835 -13.835 690 3HD2 LEU 88 HD23 LEU 88 24.484 -14.766 -14.766 691 H SER 89 HN SER 89 21.438 -14.836 -14.836 692 HA SER 89 HA SER 89 23.394 -16.900 -16.900 693 1HB SER 89 HB2 SER 89 20.570 -16.776 -16.776 694 2HB SER 89 HB1 SER 89 21.306 -18.357 -18.357 695 HG SER 89 HG SER 89 21.663 -17.488 -17.488 696 H LYS 90 HN LYS 90 20.880 -15.810 -15.810 697 HA LYS 90 HA LYS 90 20.887 -18.267 -18.267 698 1HB LYS 90 HB2 LYS 90 19.006 -15.931 -15.931 699 2HB LYS 90 HB1 LYS 90 18.981 -16.886 -16.886 700 1HG LYS 90 HG2 LYS 90 18.406 -18.855 -18.855 701 2HG LYS 90 HG1 LYS 90 18.859 -18.203 -18.203 702 1HD LYS 90 HD2 LYS 90 16.719 -16.749 -16.749 703 2HD LYS 90 HD1 LYS 90 16.290 -18.329 -18.329 704 1HE LYS 90 HE2 LYS 90 17.572 -16.111 -16.111 705 2HE LYS 90 HE1 LYS 90 15.843 -16.449 -16.449 706 1HZ LYS 90 HZ3 LYS 90 17.010 -18.874 -18.874 707 2HZ LYS 90 HZ2 LYS 90 17.938 -17.790 -17.790 708 3HZ LYS 90 HZ1 LYS 90 16.257 -17.881 -17.881 709 H GLY 91 HN GLY 91 22.136 -15.127 -15.127 710 1HA GLY 91 HA2 GLY 91 24.020 -14.687 -14.687 711 2HA GLY 91 HA1 GLY 91 22.831 -15.027 -15.027 712 H ALA 92 HN ALA 92 21.195 -13.465 -13.465 713 HA ALA 92 HA ALA 92 20.441 -11.255 -11.255 714 1HB ALA 92 HB1 ALA 92 20.201 -12.071 -12.071 715 2HB ALA 92 HB3 ALA 92 20.642 -10.367 -10.367 716 3HB ALA 92 HB2 ALA 92 19.209 -10.904 -10.904 717 H ASP 93 HN ASP 93 23.628 -11.740 -11.740 718 HA ASP 93 HA ASP 93 25.451 -10.235 -10.235 719 1HB ASP 93 HB2 ASP 93 25.545 -8.589 -8.589 720 2HB ASP 93 HB1 ASP 93 24.849 -10.081 -10.081 721 H LYS 94 HN LYS 94 24.475 -7.241 -7.241 722 HA LYS 94 HA LYS 94 22.932 -6.507 -6.507 723 1HB LYS 94 HB2 LYS 94 24.605 -5.241 -5.241 724 2HB LYS 94 HB1 LYS 94 25.196 -6.885 -6.885 725 1HG LYS 94 HG2 LYS 94 25.918 -4.707 -4.707 726 2HG LYS 94 HG1 LYS 94 26.835 -4.949 -4.949 727 1HD LYS 94 HD2 LYS 94 27.964 -6.656 -6.656 728 2HD LYS 94 HD1 LYS 94 26.454 -7.523 -7.523 729 1HE LYS 94 HE2 LYS 94 26.110 -6.468 -6.468 730 2HE LYS 94 HE1 LYS 94 27.437 -5.343 -5.343 731 1HZ LYS 94 HZ2 LYS 94 28.969 -7.211 -7.211 732 2HZ LYS 94 HZ1 LYS 94 27.685 -8.292 -8.292 733 3HZ LYS 94 HZ3 LYS 94 28.100 -7.153 -7.153 734 H THR 95 HN THR 95 24.680 -5.626 -5.626 735 HA THR 95 HA THR 95 22.957 -3.203 -3.203 736 HB THR 95 HB THR 95 25.815 -3.090 -3.090 737 HG1 THR 95 HG1 THR 95 26.512 -2.558 -2.558 738 1HG2 THR 95 HG22 THR 95 24.063 -1.367 -1.367 739 2HG2 THR 95 HG21 THR 95 23.996 -0.940 -0.940 740 3HG2 THR 95 HG23 THR 95 25.494 -0.721 -0.721 741 H VAL 96 HN VAL 96 22.586 -5.748 -5.748 742 HA VAL 96 HA VAL 96 23.719 -5.709 -5.709 743 HB VAL 96 HB VAL 96 21.910 -7.459 -7.459 744 1HG1 VAL 96 HG13 VAL 96 21.805 -7.339 -7.339 745 2HG1 VAL 96 HG12 VAL 96 21.183 -8.670 -8.670 746 3HG1 VAL 96 HG11 VAL 96 20.458 -7.073 -7.073 747 1HG2 VAL 96 HG21 VAL 96 24.425 -7.744 -7.744 748 2HG2 VAL 96 HG23 VAL 96 23.391 -9.153 -9.153 749 3HG2 VAL 96 HG22 VAL 96 23.904 -8.198 -8.198 750 H LYS 97 HN LYS 97 21.287 -3.873 -3.873 751 HA LYS 97 HA LYS 97 20.363 -3.047 -3.047 752 1HB LYS 97 HB2 LYS 97 18.821 -4.946 -4.946 753 2HB LYS 97 HB1 LYS 97 17.899 -3.468 -3.468 754 1HG LYS 97 HG2 LYS 97 19.389 -4.777 -4.777 755 2HG LYS 97 HG1 LYS 97 17.787 -5.340 -5.340 756 1HD LYS 97 HD2 LYS 97 16.803 -3.207 -3.207 757 2HD LYS 97 HD1 LYS 97 18.382 -2.429 -2.429 758 1HE LYS 97 HE2 LYS 97 18.831 -3.388 -3.388 759 2HE LYS 97 HE1 LYS 97 17.663 -4.686 -4.686 760 1HZ LYS 97 HZ2 LYS 97 16.782 -1.876 -1.876 761 2HZ LYS 97 HZ1 LYS 97 17.057 -2.756 -2.756 762 3HZ LYS 97 HZ3 LYS 97 15.894 -3.290 -3.290 763 H GLY 98 HN GLY 98 21.146 -2.200 -2.200 764 1HA GLY 98 HA2 GLY 98 19.173 -0.108 -0.108 765 2HA GLY 98 HA1 GLY 98 20.725 -0.260 -0.260 766 HA PRO 99 HA PRO 99 20.811 3.229 3.229 767 1HB PRO 99 HB2 PRO 99 21.931 4.934 4.934 768 2HB PRO 99 HB1 PRO 99 20.340 5.074 5.074 769 1HG PRO 99 HG2 PRO 99 21.004 4.128 4.128 770 2HG PRO 99 HG1 PRO 99 19.415 4.503 4.503 771 1HD PRO 99 HD2 PRO 99 20.429 1.909 1.909 772 2HD PRO 99 HD1 PRO 99 18.969 2.279 2.279 773 H ASP 100 HN ASP 100 23.162 3.760 3.760 774 HA ASP 100 HA ASP 100 25.247 2.488 2.488 775 1HB ASP 100 HB2 ASP 100 25.182 5.072 5.072 776 2HB ASP 100 HB1 ASP 100 25.728 4.995 4.995 777 H GLY 101 HN GLY 101 27.105 3.522 3.522 778 1HA GLY 101 HA2 GLY 101 27.278 1.158 1.158 779 2HA GLY 101 HA1 GLY 101 28.021 2.690 2.690 780 H LEU 102 HN LEU 102 24.747 3.249 3.249 781 HA LEU 102 HA LEU 102 24.221 3.910 3.910 782 1HB LEU 102 HB2 LEU 102 22.707 4.390 4.390 783 2HB LEU 102 HB1 LEU 102 22.152 2.721 2.721 784 HG LEU 102 HG LEU 102 21.910 4.795 4.795 785 1HD1 LEU 102 HD12 LEU 102 19.879 3.485 3.485 786 2HD1 LEU 102 HD11 LEU 102 19.473 4.459 4.459 787 3HD1 LEU 102 HD13 LEU 102 20.315 5.195 5.195 788 1HD2 LEU 102 HD22 LEU 102 21.280 1.851 1.851 789 2HD2 LEU 102 HD21 LEU 102 22.099 2.762 2.762 790 3HD2 LEU 102 HD23 LEU 102 20.362 2.921 2.921 791 H THR 103 HN THR 103 22.802 0.983 0.983 792 HA THR 103 HA THR 103 21.929 -0.783 -0.783 793 HB THR 103 HB THR 103 23.722 -1.926 -1.926 794 HG1 THR 103 HG1 THR 103 23.872 -3.235 -3.235 795 1HG2 THR 103 HG21 THR 103 25.493 -0.063 -0.063 796 2HG2 THR 103 HG23 THR 103 26.106 -1.470 -1.470 797 3HG2 THR 103 HG22 THR 103 25.324 -0.157 -0.157 798 H ALA 104 HN ALA 104 24.636 -1.006 -1.006 799 HA ALA 104 HA ALA 104 22.993 -0.129 -0.129 800 1HB ALA 104 HB1 ALA 104 25.543 -1.718 -1.718 801 2HB ALA 104 HB3 ALA 104 24.970 -1.123 -1.123 802 3HB ALA 104 HB2 ALA 104 23.981 -2.246 -2.246 803 H LEU 105 HN LEU 105 25.901 0.841 0.841 804 HA LEU 105 HA LEU 105 27.199 2.436 2.436 805 1HB LEU 105 HB2 LEU 105 26.921 3.203 3.203 806 2HB LEU 105 HB1 LEU 105 28.269 3.514 3.514 807 HG LEU 105 HG LEU 105 27.381 0.823 0.823 808 1HD1 LEU 105 HD11 LEU 105 28.646 2.260 2.260 809 2HD1 LEU 105 HD13 LEU 105 29.925 2.436 2.436 810 3HD1 LEU 105 HD12 LEU 105 29.593 0.856 0.856 811 1HD2 LEU 105 HD22 LEU 105 29.369 1.595 1.595 812 2HD2 LEU 105 HD21 LEU 105 28.141 0.330 0.330 813 3HD2 LEU 105 HD23 LEU 105 29.584 0.123 0.123 814 H GLU 106 HN GLU 106 25.329 4.006 4.006 815 HA GLU 106 HA GLU 106 24.986 6.373 6.373 816 1HB GLU 106 HB2 GLU 106 23.592 5.782 5.782 817 2HB GLU 106 HB1 GLU 106 24.033 7.339 7.339 818 1HG GLU 106 HG2 GLU 106 26.247 5.386 5.386 819 2HG GLU 106 HG1 GLU 106 25.521 6.116 6.116 820 H ALA 107 HN ALA 107 23.501 3.542 3.542 821 HA ALA 107 HA ALA 107 20.710 4.388 4.388 822 1HB ALA 107 HB2 ALA 107 22.164 1.902 1.902 823 2HB ALA 107 HB1 ALA 107 20.512 2.160 2.160 824 3HB ALA 107 HB3 ALA 107 20.856 2.096 2.096 825 H THR 108 HN THR 108 23.147 3.856 3.856 826 HA THR 108 HA THR 108 21.410 5.510 5.510 827 HB THR 108 HB THR 108 20.597 3.171 3.171 828 HG1 THR 108 HG1 THR 108 20.269 4.151 4.151 829 1HG2 THR 108 HG22 THR 108 23.160 2.461 2.461 830 2HG2 THR 108 HG21 THR 108 23.117 2.403 2.403 831 3HG2 THR 108 HG23 THR 108 22.012 1.408 1.408 832 H ASP 109 HN ASP 109 22.529 4.398 4.398 833 HA ASP 109 HA ASP 109 25.407 4.974 4.974 834 1HB ASP 109 HB2 ASP 109 24.238 7.142 7.142 835 2HB ASP 109 HB1 ASP 109 23.501 6.365 6.365 836 H ASN 110 HN ASN 110 22.660 3.296 3.296 837 HA ASN 110 HA ASN 110 23.840 2.341 2.341 838 1HB ASN 110 HB2 ASN 110 21.943 0.642 0.642 839 2HB ASN 110 HB1 ASN 110 21.430 2.324 2.324 840 1HD2 ASN 110 HD21 ASN 110 22.837 1.021 1.021 841 2HD2 ASN 110 HD22 ASN 110 21.400 0.936 0.936 842 H GLN 111 HN GLN 111 24.857 0.287 0.287 843 HA GLN 111 HA GLN 111 26.205 -0.578 -0.578 844 1HB GLN 111 HB2 GLN 111 27.579 -0.155 -0.155 845 2HB GLN 111 HB1 GLN 111 26.618 -1.203 -1.203 846 1HG GLN 111 HG2 GLN 111 27.473 -3.156 -3.156 847 2HG GLN 111 HG1 GLN 111 27.920 -2.336 -2.336 848 1HE2 GLN 111 HE21 GLN 111 28.823 -2.635 -2.635 849 2HE2 GLN 111 HE22 GLN 111 30.427 -2.122 -2.122 850 H ALA 112 HN ALA 112 23.282 -1.627 -1.627 851 HA ALA 112 HA ALA 112 23.866 -4.518 -4.518 852 1HB ALA 112 HB3 ALA 112 21.245 -2.984 -2.984 853 2HB ALA 112 HB2 ALA 112 21.349 -4.744 -4.744 854 3HB ALA 112 HB1 ALA 112 21.962 -3.885 -3.885 855 H ILE 113 HN ILE 113 22.730 -1.904 -1.904 856 HA ILE 113 HA ILE 113 22.018 -3.300 -3.300 857 HB ILE 113 HB ILE 113 22.662 -0.500 -0.500 858 1HG1 ILE 113 HG12 ILE 113 20.433 -0.141 -0.141 859 2HG1 ILE 113 HG11 ILE 113 20.304 -1.895 -1.895 860 1HG2 ILE 113 HG21 ILE 113 22.734 -1.510 -1.510 861 2HG2 ILE 113 HG23 ILE 113 22.174 0.126 0.126 862 3HG2 ILE 113 HG22 ILE 113 23.799 -0.357 -0.357 863 1HD1 ILE 113 HD11 ILE 113 21.034 -1.311 -1.311 864 2HD1 ILE 113 HD13 ILE 113 19.870 -0.059 -0.059 865 3HD1 ILE 113 HD12 ILE 113 19.427 -1.756 -1.756 866 H LYS 114 HN LYS 114 24.777 -1.294 -1.294 867 HA LYS 114 HA LYS 114 26.375 -1.762 -1.762 868 1HB LYS 114 HB2 LYS 114 27.198 -1.335 -1.335 869 2HB LYS 114 HB1 LYS 114 28.269 -1.151 -1.151 870 1HG LYS 114 HG2 LYS 114 27.067 0.679 0.679 871 2HG LYS 114 HG1 LYS 114 25.629 0.294 0.294 872 1HD LYS 114 HD2 LYS 114 26.427 1.306 1.306 873 2HD LYS 114 HD1 LYS 114 28.113 0.947 0.947 874 1HE LYS 114 HE2 LYS 114 26.691 2.790 2.790 875 2HE LYS 114 HE1 LYS 114 27.060 3.421 3.421 876 1HZ LYS 114 HZ1 LYS 114 29.336 2.131 2.131 877 2HZ LYS 114 HZ3 LYS 114 28.826 2.840 2.840 878 3HZ LYS 114 HZ2 LYS 114 29.079 3.807 3.807 879 H ALA 115 HN ALA 115 25.298 -4.003 -4.003 880 HA ALA 115 HA ALA 115 27.509 -5.818 -5.818 881 1HB ALA 115 HB1 ALA 115 25.418 -5.950 -5.950 882 2HB ALA 115 HB3 ALA 115 24.566 -6.572 -6.572 883 3HB ALA 115 HB2 ALA 115 25.912 -7.479 -7.479 884 H LEU 116 HN LEU 116 24.834 -5.243 -5.243 885 HA LEU 116 HA LEU 116 25.520 -7.503 -7.503 886 1HB LEU 116 HB2 LEU 116 23.522 -5.368 -5.368 887 2HB LEU 116 HB1 LEU 116 24.141 -5.661 -5.661 888 HG LEU 116 HG LEU 116 22.814 -7.636 -7.636 889 1HD1 LEU 116 HD12 LEU 116 21.360 -6.183 -6.183 890 2HD1 LEU 116 HD11 LEU 116 22.219 -6.752 -6.752 891 3HD1 LEU 116 HD13 LEU 116 21.256 -7.880 -7.880 892 1HD2 LEU 116 HD23 LEU 116 24.707 -8.100 -8.100 893 2HD2 LEU 116 HD22 LEU 116 24.284 -9.159 -9.159 894 3HD2 LEU 116 HD21 LEU 116 23.224 -9.045 -9.045 895 H LEU 117 HN LEU 117 26.769 -4.282 -4.282 896 HA LEU 117 HA LEU 117 27.844 -4.185 -4.185 897 1HB LEU 117 HB2 LEU 117 28.294 -2.031 -2.031 898 2HB LEU 117 HB1 LEU 117 27.396 -2.284 -2.284 899 HG LEU 117 HG LEU 117 29.697 -3.056 -3.056 900 1HD1 LEU 117 HD11 LEU 117 30.488 -2.429 -2.429 901 2HD1 LEU 117 HD13 LEU 117 31.115 -1.133 -1.133 902 3HD1 LEU 117 HD12 LEU 117 31.548 -2.804 -2.804 903 1HD2 LEU 117 HD21 LEU 117 28.303 -0.803 -0.803 904 2HD2 LEU 117 HD23 LEU 117 29.946 -0.912 -0.912 905 3HD2 LEU 117 HD22 LEU 117 29.637 -0.126 -0.126 906 H GLN 118 HN GLN 118 28.377 -6.217 -6.217 907 HA GLN 118 HA GLN 118 31.263 -6.271 -6.271 908 1HB GLN 118 HB2 GLN 118 30.950 -8.391 -8.391 909 2HB GLN 118 HB1 GLN 118 29.616 -7.364 -7.364 910 1HG GLN 118 HG2 GLN 118 28.447 -9.286 -9.286 911 2HG GLN 118 HG1 GLN 118 28.412 -8.416 -8.416 912 1HE2 GLN 118 HE21 GLN 118 31.154 -10.221 -10.221 913 2HE2 GLN 118 HE22 GLN 118 31.331 -11.311 -11.311 Start of MODEL 27 1 1H MET 1 HT2 MET 1 -9.481 -6.787 -6.787 2 2H MET 1 HT1 MET 1 -10.138 -6.728 -6.728 3 3H MET 1 HT3 MET 1 -10.837 -5.815 -5.815 4 HA MET 1 HA MET 1 -11.915 -7.567 -7.567 5 1HB MET 1 HB2 MET 1 -12.449 -7.318 -7.318 6 2HB MET 1 HB1 MET 1 -11.484 -8.777 -8.777 7 1HG MET 1 HG2 MET 1 -13.700 -9.577 -9.577 8 2HG MET 1 HG1 MET 1 -12.966 -9.815 -9.815 9 1HE MET 1 HE1 MET 1 -15.743 -10.072 -10.072 10 2HE MET 1 HE3 MET 1 -15.393 -9.799 -9.799 11 3HE MET 1 HE2 MET 1 -16.699 -8.917 -8.917 12 H CYS 2 HN CYS 2 -11.183 -9.034 -9.034 13 HA CYS 2 HA CYS 2 -10.151 -10.960 -10.960 14 1HB CYS 2 HB2 CYS 2 -10.858 -11.796 -11.796 15 2HB CYS 2 HB1 CYS 2 -9.123 -11.731 -11.731 16 HG CYS 2 HG CYS 2 -10.429 -13.507 -13.507 17 H ASP 3 HN ASP 3 -8.414 -8.901 -8.901 18 HA ASP 3 HA ASP 3 -5.758 -9.683 -9.683 19 1HB ASP 3 HB2 ASP 3 -6.727 -6.828 -6.828 20 2HB ASP 3 HB1 ASP 3 -5.122 -7.444 -7.444 21 H LYS 4 HN LYS 4 -8.030 -8.079 -8.079 22 HA LYS 4 HA LYS 4 -6.343 -6.773 -6.773 23 1HB LYS 4 HB2 LYS 4 -8.890 -8.251 -8.251 24 2HB LYS 4 HB1 LYS 4 -8.185 -6.896 -6.896 25 1HG LYS 4 HG2 LYS 4 -8.332 -5.618 -5.618 26 2HG LYS 4 HG1 LYS 4 -9.462 -6.893 -6.893 27 1HD LYS 4 HD2 LYS 4 -10.649 -6.349 -6.349 28 2HD LYS 4 HD1 LYS 4 -9.739 -4.841 -4.841 29 1HE LYS 4 HE2 LYS 4 -11.878 -5.850 -5.850 30 2HE LYS 4 HE1 LYS 4 -11.745 -4.277 -4.277 31 1HZ LYS 4 HZ1 LYS 4 -9.490 -4.747 -4.747 32 2HZ LYS 4 HZ3 LYS 4 -10.905 -4.965 -4.965 33 3HZ LYS 4 HZ2 LYS 4 -10.635 -3.498 -3.498 34 H GLU 5 HN GLU 5 -7.840 -9.952 -9.952 35 HA GLU 5 HA GLU 5 -6.151 -10.634 -10.634 36 1HB GLU 5 HB2 GLU 5 -7.684 -12.280 -12.280 37 2HB GLU 5 HB1 GLU 5 -6.673 -13.074 -13.074 38 1HG GLU 5 HG2 GLU 5 -7.903 -12.042 -12.042 39 2HG GLU 5 HG1 GLU 5 -8.813 -11.039 -11.039 40 H PHE 6 HN PHE 6 -5.433 -10.619 -10.619 41 HA PHE 6 HA PHE 6 -3.263 -12.496 -12.496 42 1HB PHE 6 HB2 PHE 6 -4.185 -12.143 -12.143 43 2HB PHE 6 HB1 PHE 6 -4.011 -10.401 -10.401 44 HD1 PHE 6 HD2 PHE 6 -1.413 -12.974 -12.974 45 HD2 PHE 6 HD1 PHE 6 -2.662 -9.928 -9.928 46 HE1 PHE 6 HE2 PHE 6 0.784 -13.090 -13.090 47 HE2 PHE 6 HE1 PHE 6 -0.460 -10.058 -10.058 48 HZ PHE 6 HZ PHE 6 1.265 -11.635 -11.635 49 H MET 7 HN MET 7 -2.991 -8.896 -8.896 50 HA MET 7 HA MET 7 -0.223 -9.012 -9.012 51 1HB MET 7 HB2 MET 7 -0.085 -6.726 -6.726 52 2HB MET 7 HB1 MET 7 -1.423 -7.178 -7.178 53 1HG MET 7 HG2 MET 7 -1.718 -5.998 -5.998 54 2HG MET 7 HG1 MET 7 -1.890 -5.115 -5.115 55 1HE MET 7 HE2 MET 7 -3.633 -5.063 -5.063 56 2HE MET 7 HE1 MET 7 -3.554 -6.732 -6.732 57 3HE MET 7 HE3 MET 7 -5.094 -6.037 -6.037 58 H TRP 8 HN TRP 8 -3.231 -8.385 -8.385 59 HA TRP 8 HA TRP 8 -2.245 -7.325 -7.325 60 1HB TRP 8 HB2 TRP 8 -4.678 -7.726 -7.726 61 2HB TRP 8 HB1 TRP 8 -4.436 -9.402 -9.402 62 HD1 TRP 8 HD1 TRP 8 -4.269 -9.936 -9.936 63 HE1 TRP 8 HE1 TRP 8 -4.673 -8.541 -8.541 64 HE3 TRP 8 HE3 TRP 8 -4.447 -5.256 -5.256 65 HZ2 TRP 8 HZ2 TRP 8 -5.027 -5.802 -5.802 66 HZ3 TRP 8 HZ3 TRP 8 -4.819 -3.273 -3.273 67 HH2 TRP 8 HH2 TRP 8 -5.110 -3.540 -3.540 68 H ALA 9 HN ALA 9 -1.569 -10.388 -10.388 69 HA ALA 9 HA ALA 9 -1.027 -11.669 -11.669 70 1HB ALA 9 HB2 ALA 9 -1.964 -12.954 -12.954 71 2HB ALA 9 HB1 ALA 9 -0.527 -12.595 -12.595 72 3HB ALA 9 HB3 ALA 9 -0.391 -13.590 -13.590 73 H LEU 10 HN LEU 10 0.830 -10.682 -10.682 74 HA LEU 10 HA LEU 10 3.388 -11.274 -11.274 75 1HB LEU 10 HB2 LEU 10 2.616 -9.072 -9.072 76 2HB LEU 10 HB1 LEU 10 4.261 -9.620 -9.620 77 HG LEU 10 HG LEU 10 3.136 -12.005 -12.005 78 1HD1 LEU 10 HD13 LEU 10 0.922 -10.835 -10.835 79 2HD1 LEU 10 HD12 LEU 10 1.698 -10.095 -10.095 80 3HD1 LEU 10 HD11 LEU 10 1.519 -11.844 -11.844 81 1HD2 LEU 10 HD23 LEU 10 4.481 -9.929 -9.929 82 2HD2 LEU 10 HD22 LEU 10 4.997 -11.565 -11.565 83 3HD2 LEU 10 HD21 LEU 10 3.777 -11.315 -11.315 84 H LYS 11 HN LYS 11 1.078 -9.159 -9.159 85 HA LYS 11 HA LYS 11 2.808 -7.052 -7.052 86 1HB LYS 11 HB2 LYS 11 0.748 -6.341 -6.341 87 2HB LYS 11 HB1 LYS 11 -0.115 -7.673 -7.673 88 1HG LYS 11 HG2 LYS 11 -0.079 -6.634 -6.634 89 2HG LYS 11 HG1 LYS 11 1.267 -5.581 -5.581 90 1HD LYS 11 HD2 LYS 11 -0.108 -4.163 -4.163 91 2HD LYS 11 HD1 LYS 11 -1.393 -5.365 -5.365 92 1HE LYS 11 HE2 LYS 11 -1.707 -3.383 -3.383 93 2HE LYS 11 HE1 LYS 11 -2.094 -5.010 -5.010 94 1HZ LYS 11 HZ2 LYS 11 0.342 -5.053 -5.053 95 2HZ LYS 11 HZ1 LYS 11 0.271 -3.361 -3.361 96 3HZ LYS 11 HZ3 LYS 11 -0.771 -4.168 -4.168 97 H ASN 12 HN ASN 12 0.152 -8.843 -8.843 98 HA ASN 12 HA ASN 12 1.445 -8.532 -8.532 99 1HB ASN 12 HB2 ASN 12 -1.035 -8.345 -8.345 100 2HB ASN 12 HB1 ASN 12 -1.061 -10.093 -10.093 101 1HD2 ASN 12 HD21 ASN 12 -0.623 -7.502 -7.502 102 2HD2 ASN 12 HD22 ASN 12 -0.655 -8.504 -8.504 103 H GLY 13 HN GLY 13 2.364 -10.533 -10.533 104 1HA GLY 13 HA2 GLY 13 3.624 -12.490 -12.490 105 2HA GLY 13 HA1 GLY 13 3.334 -12.466 -12.466 106 H ASP 14 HN ASP 14 0.545 -12.415 -12.415 107 HA ASP 14 HA ASP 14 -0.344 -14.921 -14.921 108 1HB ASP 14 HB2 ASP 14 -1.563 -13.810 -13.810 109 2HB ASP 14 HB1 ASP 14 -2.312 -14.635 -14.635 110 H LEU 15 HN LEU 15 1.992 -15.405 -15.405 111 HA LEU 15 HA LEU 15 2.641 -16.043 -16.043 112 1HB LEU 15 HB2 LEU 15 4.149 -16.157 -16.157 113 2HB LEU 15 HB1 LEU 15 3.274 -17.521 -17.521 114 HG LEU 15 HG LEU 15 5.429 -18.057 -18.057 115 1HD1 LEU 15 HD11 LEU 15 3.091 -19.516 -19.516 116 2HD1 LEU 15 HD13 LEU 15 3.487 -19.538 -19.538 117 3HD1 LEU 15 HD12 LEU 15 4.653 -20.112 -20.112 118 1HD2 LEU 15 HD22 LEU 15 4.866 -16.322 -16.322 119 2HD2 LEU 15 HD21 LEU 15 5.581 -17.843 -17.843 120 3HD2 LEU 15 HD23 LEU 15 3.853 -17.591 -17.591 121 H ASP 16 HN ASP 16 0.418 -17.669 -17.669 122 HA ASP 16 HA ASP 16 0.184 -20.153 -20.153 123 1HB ASP 16 HB2 ASP 16 -2.051 -18.681 -18.681 124 2HB ASP 16 HB1 ASP 16 -1.827 -20.419 -20.419 125 H GLU 17 HN GLU 17 -1.247 -16.973 -16.973 126 HA GLU 17 HA GLU 17 -3.190 -17.922 -17.922 127 1HB GLU 17 HB2 GLU 17 -3.408 -15.822 -15.822 128 2HB GLU 17 HB1 GLU 17 -2.017 -15.193 -15.193 129 1HG GLU 17 HG2 GLU 17 -3.806 -14.299 -14.299 130 2HG GLU 17 HG1 GLU 17 -3.400 -15.721 -15.721 131 H VAL 18 HN VAL 18 -0.075 -16.165 -16.165 132 HA VAL 18 HA VAL 18 -0.114 -16.091 -16.091 133 HB VAL 18 HB VAL 18 2.610 -16.181 -16.181 134 1HG1 VAL 18 HG11 VAL 18 1.006 -14.226 -14.226 135 2HG1 VAL 18 HG13 VAL 18 1.307 -13.576 -13.576 136 3HG1 VAL 18 HG12 VAL 18 2.652 -13.944 -13.944 137 1HG2 VAL 18 HG22 VAL 18 1.745 -16.548 -16.548 138 2HG2 VAL 18 HG21 VAL 18 3.030 -15.391 -15.391 139 3HG2 VAL 18 HG23 VAL 18 1.379 -14.829 -14.829 140 H LYS 19 HN LYS 19 0.722 -18.498 -18.498 141 HA LYS 19 HA LYS 19 2.236 -20.264 -20.264 142 1HB LYS 19 HB2 LYS 19 2.177 -20.382 -20.382 143 2HB LYS 19 HB1 LYS 19 0.471 -20.743 -20.743 144 1HG LYS 19 HG2 LYS 19 1.442 -22.850 -22.850 145 2HG LYS 19 HG1 LYS 19 1.177 -22.836 -22.836 146 1HD LYS 19 HD2 LYS 19 3.380 -23.569 -23.569 147 2HD LYS 19 HD1 LYS 19 3.600 -21.849 -21.849 148 1HE LYS 19 HE2 LYS 19 5.066 -22.509 -22.509 149 2HE LYS 19 HE1 LYS 19 3.722 -21.712 -21.712 150 1HZ LYS 19 HZ3 LYS 19 3.541 -24.598 -24.598 151 2HZ LYS 19 HZ2 LYS 19 4.579 -24.053 -24.053 152 3HZ LYS 19 HZ1 LYS 19 2.924 -23.668 -23.668 153 H ASP 20 HN ASP 20 -1.174 -19.735 -19.735 154 HA ASP 20 HA ASP 20 -2.091 -22.146 -22.146 155 1HB ASP 20 HB2 ASP 20 -3.460 -20.792 -20.792 156 2HB ASP 20 HB1 ASP 20 -3.501 -19.495 -19.495 157 H TYR 21 HN TYR 21 -1.971 -18.793 -18.793 158 HA TYR 21 HA TYR 21 -2.937 -19.712 -19.712 159 1HB TYR 21 HB2 TYR 21 -2.571 -17.569 -17.569 160 2HB TYR 21 HB1 TYR 21 -2.776 -17.303 -17.303 161 HD1 TYR 21 HD1 TYR 21 -0.707 -17.278 -17.278 162 HD2 TYR 21 HD2 TYR 21 -0.610 -16.802 -16.802 163 HE1 TYR 21 HE1 TYR 21 1.506 -16.176 -16.176 164 HE2 TYR 21 HE2 TYR 21 1.617 -15.714 -15.714 165 HH TYR 21 HH TYR 21 3.622 -15.936 -15.936 166 H VAL 22 HN VAL 22 0.515 -19.158 -19.158 167 HA VAL 22 HA VAL 22 1.399 -20.064 -20.064 168 HB VAL 22 HB VAL 22 2.836 -18.677 -18.677 169 1HG1 VAL 22 HG13 VAL 22 3.104 -21.243 -21.243 170 2HG1 VAL 22 HG12 VAL 22 4.100 -19.807 -19.807 171 3HG1 VAL 22 HG11 VAL 22 2.378 -19.737 -19.737 172 1HG2 VAL 22 HG22 VAL 22 3.927 -21.363 -21.363 173 2HG2 VAL 22 HG21 VAL 22 3.905 -19.868 -19.868 174 3HG2 VAL 22 HG23 VAL 22 4.933 -20.012 -20.012 175 H ALA 23 HN ALA 23 0.386 -21.755 -21.755 176 HA ALA 23 HA ALA 23 1.716 -24.217 -24.217 177 1HB ALA 23 HB3 ALA 23 -1.093 -23.578 -23.578 178 2HB ALA 23 HB2 ALA 23 -0.466 -25.217 -25.217 179 3HB ALA 23 HB1 ALA 23 0.292 -23.987 -23.987 180 H LYS 24 HN LYS 24 -0.727 -22.641 -22.641 181 HA LYS 24 HA LYS 24 -1.871 -24.717 -24.717 182 1HB LYS 24 HB2 LYS 24 -1.051 -21.912 -21.912 183 2HB LYS 24 HB1 LYS 24 -1.926 -22.977 -22.977 184 1HG LYS 24 HG2 LYS 24 -2.995 -22.522 -22.522 185 2HG LYS 24 HG1 LYS 24 -3.253 -21.292 -21.292 186 1HD LYS 24 HD2 LYS 24 -4.564 -22.696 -22.696 187 2HD LYS 24 HD1 LYS 24 -3.884 -24.165 -24.165 188 1HE LYS 24 HE2 LYS 24 -6.164 -23.850 -23.850 189 2HE LYS 24 HE1 LYS 24 -5.027 -23.635 -23.635 190 1HZ LYS 24 HZ1 LYS 24 -5.178 -21.153 -21.153 191 2HZ LYS 24 HZ3 LYS 24 -6.751 -21.698 -21.698 192 3HZ LYS 24 HZ2 LYS 24 -6.155 -21.735 -21.735 193 H GLY 25 HN GLY 25 0.517 -22.674 -22.674 194 1HA GLY 25 HA2 GLY 25 2.405 -24.824 -24.824 195 2HA GLY 25 HA1 GLY 25 1.450 -24.478 -24.478 196 H GLU 26 HN GLU 26 3.915 -23.308 -23.308 197 HA GLU 26 HA GLU 26 5.216 -21.328 -21.328 198 1HB GLU 26 HB2 GLU 26 6.450 -21.276 -21.276 199 2HB GLU 26 HB1 GLU 26 6.661 -22.658 -22.658 200 1HG GLU 26 HG2 GLU 26 4.958 -23.913 -23.913 201 2HG GLU 26 HG1 GLU 26 4.662 -22.516 -22.516 202 H ASP 27 HN ASP 27 4.246 -19.407 -19.407 203 HA ASP 27 HA ASP 27 3.636 -17.941 -17.941 204 1HB ASP 27 HB2 ASP 27 1.654 -18.459 -18.459 205 2HB ASP 27 HB1 ASP 27 1.509 -17.056 -17.056 206 H VAL 28 HN VAL 28 5.809 -17.776 -17.776 207 HA VAL 28 HA VAL 28 5.214 -15.406 -15.406 208 HB VAL 28 HB VAL 28 7.436 -15.870 -15.870 209 1HG1 VAL 28 HG11 VAL 28 5.310 -16.848 -16.848 210 2HG1 VAL 28 HG13 VAL 28 5.556 -18.228 -18.228 211 3HG1 VAL 28 HG12 VAL 28 6.678 -17.931 -17.931 212 1HG2 VAL 28 HG22 VAL 28 8.108 -17.139 -17.139 213 2HG2 VAL 28 HG21 VAL 28 8.821 -17.581 -17.581 214 3HG2 VAL 28 HG23 VAL 28 7.492 -18.530 -18.530 215 H ASN 29 HN ASN 29 4.999 -14.262 -14.262 216 HA ASN 29 HA ASN 29 7.157 -12.467 -12.467 217 1HB ASN 29 HB2 ASN 29 7.614 -13.176 -13.176 218 2HB ASN 29 HB1 ASN 29 8.366 -14.146 -14.146 219 1HD2 ASN 29 HD21 ASN 29 7.136 -16.192 -16.192 220 2HD2 ASN 29 HD22 ASN 29 6.219 -16.966 -16.966 221 H ARG 30 HN ARG 30 4.390 -12.293 -12.293 222 HA ARG 30 HA ARG 30 3.285 -11.364 -11.364 223 1HB ARG 30 HB2 ARG 30 1.896 -12.105 -12.105 224 2HB ARG 30 HB1 ARG 30 1.083 -11.499 -11.499 225 1HG ARG 30 HG2 ARG 30 2.047 -13.430 -13.430 226 2HG ARG 30 HG1 ARG 30 2.694 -14.059 -14.059 227 1HD ARG 30 HD2 ARG 30 0.583 -14.568 -14.568 228 2HD ARG 30 HD1 ARG 30 -0.248 -13.397 -13.397 229 HE ARG 30 HE ARG 30 0.227 -16.186 -16.186 230 1HH1 ARG 30 HH21 ARG 30 0.272 -13.079 -13.079 231 2HH1 ARG 30 HH22 ARG 30 0.156 -13.727 -13.727 232 1HH2 ARG 30 HH11 ARG 30 0.073 -17.028 -17.028 233 2HH2 ARG 30 HH12 ARG 30 0.045 -15.956 -15.956 234 H THR 31 HN THR 31 2.867 -9.210 -9.210 235 HA THR 31 HA THR 31 3.892 -7.307 -7.307 236 HB THR 31 HB THR 31 1.613 -6.643 -6.643 237 HG1 THR 31 HG1 THR 31 2.795 -7.173 -7.173 238 1HG2 THR 31 HG21 THR 31 2.739 -4.971 -4.971 239 2HG2 THR 31 HG23 THR 31 4.173 -5.140 -5.140 240 3HG2 THR 31 HG22 THR 31 2.672 -4.518 -4.518 241 H LEU 32 HN LEU 32 3.166 -7.258 -7.258 242 HA LEU 32 HA LEU 32 0.664 -8.081 -8.081 243 1HB LEU 32 HB2 LEU 32 3.043 -7.332 -7.332 244 2HB LEU 32 HB1 LEU 32 2.089 -5.936 -5.936 245 HG LEU 32 HG LEU 32 1.367 -8.822 -8.822 246 1HD1 LEU 32 HD12 LEU 32 3.320 -7.555 -7.555 247 2HD1 LEU 32 HD11 LEU 32 1.984 -6.786 -6.786 248 3HD1 LEU 32 HD13 LEU 32 2.167 -8.535 -8.535 249 1HD2 LEU 32 HD21 LEU 32 -0.560 -7.181 -7.181 250 2HD2 LEU 32 HD23 LEU 32 -0.469 -7.972 -7.972 251 3HD2 LEU 32 HD22 LEU 32 0.083 -6.308 -6.308 252 H GLU 33 HN GLU 33 0.692 -5.136 -5.136 253 HA GLU 33 HA GLU 33 -1.774 -4.229 -4.229 254 1HB GLU 33 HB2 GLU 33 -0.592 -3.021 -3.021 255 2HB GLU 33 HB1 GLU 33 0.785 -2.752 -2.752 256 1HG GLU 33 HG2 GLU 33 -0.692 -0.717 -0.717 257 2HG GLU 33 HG1 GLU 33 -0.412 -1.091 -1.091 258 H GLY 34 HN GLY 34 0.948 -2.635 -2.635 259 1HA GLY 34 HA2 GLY 34 -0.577 -2.944 -2.944 260 2HA GLY 34 HA1 GLY 34 -0.352 -1.298 -1.298 261 H GLY 35 HN GLY 35 2.309 -2.123 -2.123 262 1HA GLY 35 HA2 GLY 35 3.914 -2.727 -2.727 263 2HA GLY 35 HA1 GLY 35 4.115 -1.103 -1.103 264 H ARG 36 HN ARG 36 3.301 -3.632 -3.632 265 HA ARG 36 HA ARG 36 6.112 -3.675 -3.675 266 1HB ARG 36 HB2 ARG 36 3.612 -4.107 -4.107 267 2HB ARG 36 HB1 ARG 36 5.234 -3.693 -3.693 268 1HG ARG 36 HG2 ARG 36 3.440 -1.886 -1.886 269 2HG ARG 36 HG1 ARG 36 3.721 -1.719 -1.719 270 1HD ARG 36 HD2 ARG 36 6.305 -1.767 -1.767 271 2HD ARG 36 HD1 ARG 36 5.488 -0.971 -0.971 272 HE ARG 36 HE ARG 36 6.163 0.268 0.268 273 1HH1 ARG 36 HH21 ARG 36 3.380 -0.165 -0.165 274 2HH1 ARG 36 HH22 ARG 36 2.516 1.158 1.158 275 1HH2 ARG 36 HH11 ARG 36 5.047 1.990 1.990 276 2HH2 ARG 36 HH12 ARG 36 3.458 2.378 2.378 277 H LYS 37 HN LYS 37 6.520 -5.716 -5.716 278 HA LYS 37 HA LYS 37 5.188 -8.078 -8.078 279 1HB LYS 37 HB2 LYS 37 7.276 -9.079 -9.079 280 2HB LYS 37 HB1 LYS 37 7.674 -7.392 -7.392 281 1HG LYS 37 HG2 LYS 37 8.090 -8.977 -8.977 282 2HG LYS 37 HG1 LYS 37 9.330 -8.437 -8.437 283 1HD LYS 37 HD2 LYS 37 7.511 -6.586 -6.586 284 2HD LYS 37 HD1 LYS 37 9.162 -6.964 -6.964 285 1HE LYS 37 HE2 LYS 37 8.134 -5.386 -5.386 286 2HE LYS 37 HE1 LYS 37 9.367 -4.940 -4.940 287 1HZ LYS 37 HZ2 LYS 37 10.572 -7.008 -7.008 288 2HZ LYS 37 HZ1 LYS 37 9.581 -6.698 -6.698 289 3HZ LYS 37 HZ3 LYS 37 10.650 -5.505 -5.505 290 HA PRO 38 HA PRO 38 4.562 -9.495 -9.495 291 1HB PRO 38 HB2 PRO 38 5.035 -12.242 -12.242 292 2HB PRO 38 HB1 PRO 38 3.590 -11.435 -11.435 293 1HG PRO 38 HG2 PRO 38 5.784 -12.670 -12.670 294 2HG PRO 38 HG1 PRO 38 4.212 -12.107 -12.107 295 1HD PRO 38 HD2 PRO 38 6.804 -10.773 -10.773 296 2HD PRO 38 HD1 PRO 38 5.258 -10.288 -10.288 297 H LEU 39 HN LEU 39 7.504 -8.744 -8.744 298 HA LEU 39 HA LEU 39 8.704 -10.350 -10.350 299 1HB LEU 39 HB2 LEU 39 9.792 -10.672 -10.672 300 2HB LEU 39 HB1 LEU 39 10.125 -8.962 -8.962 301 HG LEU 39 HG LEU 39 11.706 -9.091 -9.091 302 1HD1 LEU 39 HD13 LEU 39 10.494 -11.753 -11.753 303 2HD1 LEU 39 HD12 LEU 39 12.058 -11.210 -11.210 304 3HD1 LEU 39 HD11 LEU 39 10.608 -10.292 -10.292 305 1HD2 LEU 39 HD21 LEU 39 12.282 -10.282 -10.282 306 2HD2 LEU 39 HD23 LEU 39 13.267 -10.707 -10.707 307 3HD2 LEU 39 HD22 LEU 39 11.978 -11.786 -11.786 308 H HIS 40 HN HIS 40 7.938 -7.263 -7.263 309 HA HIS 40 HA HIS 40 9.675 -5.688 -5.688 310 1HB HIS 40 HB2 HIS 40 8.635 -4.865 -4.865 311 2HB HIS 40 HB1 HIS 40 7.068 -4.873 -4.873 312 HD1 HIS 40 HD1 HIS 40 6.670 -3.106 -3.106 313 HD2 HIS 40 HD2 HIS 40 10.379 -2.770 -2.770 314 HE1 HIS 40 HE1 HIS 40 7.628 -0.872 -0.872 315 H TYR 41 HN TYR 41 6.205 -6.552 -6.552 316 HA TYR 41 HA TYR 41 5.757 -5.301 -5.301 317 1HB TYR 41 HB2 TYR 41 4.252 -7.641 -7.641 318 2HB TYR 41 HB1 TYR 41 3.645 -6.453 -6.453 319 HD1 TYR 41 HD1 TYR 41 4.948 -6.896 -6.896 320 HD2 TYR 41 HD2 TYR 41 2.769 -4.374 -4.374 321 HE1 TYR 41 HE1 TYR 41 4.305 -5.435 -5.435 322 HE2 TYR 41 HE2 TYR 41 2.122 -2.908 -2.908 323 HH TYR 41 HH TYR 41 2.030 -2.759 -2.759 324 H ALA 42 HN ALA 42 6.678 -8.587 -8.587 325 HA ALA 42 HA ALA 42 6.582 -9.748 -9.748 326 1HB ALA 42 HB3 ALA 42 6.769 -11.006 -11.006 327 2HB ALA 42 HB2 ALA 42 8.457 -10.520 -10.520 328 3HB ALA 42 HB1 ALA 42 7.878 -11.563 -11.563 329 H ALA 43 HN ALA 43 9.348 -8.712 -8.712 330 HA ALA 43 HA ALA 43 11.354 -8.639 -8.639 331 1HB ALA 43 HB2 ALA 43 10.823 -6.641 -6.641 332 2HB ALA 43 HB1 ALA 43 12.370 -6.892 -6.892 333 3HB ALA 43 HB3 ALA 43 11.680 -8.174 -8.174 334 H ASP 44 HN ASP 44 9.391 -5.781 -5.781 335 HA ASP 44 HA ASP 44 10.285 -4.080 -4.080 336 1HB ASP 44 HB2 ASP 44 7.681 -4.155 -4.155 337 2HB ASP 44 HB1 ASP 44 8.121 -2.848 -2.848 338 H CYS 45 HN CYS 45 7.625 -6.443 -6.443 339 HA CYS 45 HA CYS 45 7.617 -6.223 -6.223 340 1HB CYS 45 HB2 CYS 45 5.175 -5.509 -5.509 341 2HB CYS 45 HB1 CYS 45 5.169 -5.749 -5.749 342 HG CYS 45 HG CYS 45 5.463 -3.170 -3.170 343 H GLY 46 HN GLY 46 8.363 -8.432 -8.432 344 1HA GLY 46 HA2 GLY 46 5.940 -10.210 -10.210 345 2HA GLY 46 HA1 GLY 46 7.494 -10.537 -10.537 346 H GLN 47 HN GLN 47 7.592 -9.247 -9.247 347 HA GLN 47 HA GLN 47 8.434 -10.209 -10.209 348 1HB GLN 47 HB2 GLN 47 6.704 -12.506 -12.506 349 2HB GLN 47 HB1 GLN 47 7.313 -12.297 -12.297 350 1HG GLN 47 HG2 GLN 47 6.200 -10.018 -10.018 351 2HG GLN 47 HG1 GLN 47 5.433 -10.477 -10.477 352 1HE2 GLN 47 HE21 GLN 47 3.338 -10.423 -10.423 353 2HE2 GLN 47 HE22 GLN 47 2.805 -11.621 -11.621 354 H LEU 48 HN LEU 48 9.646 -10.609 -10.609 355 HA LEU 48 HA LEU 48 11.522 -11.554 -11.554 356 1HB LEU 48 HB2 LEU 48 11.949 -12.056 -12.056 357 2HB LEU 48 HB1 LEU 48 13.138 -12.514 -12.514 358 HG LEU 48 HG LEU 48 13.951 -10.408 -10.408 359 1HD1 LEU 48 HD11 LEU 48 11.148 -9.428 -9.428 360 2HD1 LEU 48 HD13 LEU 48 12.550 -8.385 -8.385 361 3HD1 LEU 48 HD12 LEU 48 12.473 -9.632 -9.632 362 1HD2 LEU 48 HD22 LEU 48 11.795 -9.857 -9.857 363 2HD2 LEU 48 HD21 LEU 48 13.474 -10.296 -10.296 364 3HD2 LEU 48 HD23 LEU 48 13.086 -8.720 -8.720 365 H GLU 49 HN GLU 49 9.123 -13.444 -13.444 366 HA GLU 49 HA GLU 49 10.523 -15.999 -15.999 367 1HB GLU 49 HB2 GLU 49 8.103 -16.873 -16.873 368 2HB GLU 49 HB1 GLU 49 9.184 -16.412 -16.412 369 1HG GLU 49 HG2 GLU 49 8.175 -14.240 -14.240 370 2HG GLU 49 HG1 GLU 49 7.202 -14.520 -14.520 371 H ILE 50 HN ILE 50 7.898 -13.893 -13.893 372 HA ILE 50 HA ILE 50 7.006 -15.494 -15.494 373 HB ILE 50 HB ILE 50 6.864 -12.496 -12.496 374 1HG1 ILE 50 HG12 ILE 50 5.628 -14.622 -14.622 375 2HG1 ILE 50 HG11 ILE 50 5.708 -12.907 -12.907 376 1HG2 ILE 50 HG22 ILE 50 5.281 -14.571 -14.571 377 2HG2 ILE 50 HG21 ILE 50 4.832 -12.879 -12.879 378 3HG2 ILE 50 HG23 ILE 50 6.332 -13.329 -13.329 379 1HD1 ILE 50 HD11 ILE 50 3.680 -13.942 -13.942 380 2HD1 ILE 50 HD13 ILE 50 3.377 -14.108 -14.108 381 3HD1 ILE 50 HD12 ILE 50 3.614 -12.519 -12.519 382 H LEU 51 HN LEU 51 9.436 -12.872 -12.872 383 HA LEU 51 HA LEU 51 9.773 -12.840 -12.840 384 1HB LEU 51 HB2 LEU 51 12.373 -12.441 -12.441 385 2HB LEU 51 HB1 LEU 51 11.173 -11.179 -11.179 386 HG LEU 51 HG LEU 51 12.417 -11.048 -11.048 387 1HD1 LEU 51 HD12 LEU 51 9.631 -11.089 -11.089 388 2HD1 LEU 51 HD11 LEU 51 10.002 -11.993 -11.993 389 3HD1 LEU 51 HD13 LEU 51 10.616 -10.356 -10.356 390 1HD2 LEU 51 HD21 LEU 51 12.840 -13.622 -13.622 391 2HD2 LEU 51 HD23 LEU 51 12.758 -12.780 -12.780 392 3HD2 LEU 51 HD22 LEU 51 11.365 -13.696 -13.696 393 H GLU 52 HN GLU 52 11.630 -14.830 -14.830 394 HA GLU 52 HA GLU 52 13.072 -16.320 -16.320 395 1HB GLU 52 HB2 GLU 52 12.237 -16.662 -16.662 396 2HB GLU 52 HB1 GLU 52 12.513 -18.193 -18.193 397 1HG GLU 52 HG2 GLU 52 14.549 -15.993 -15.993 398 2HG GLU 52 HG1 GLU 52 14.517 -16.973 -16.973 399 H PHE 53 HN PHE 53 9.687 -16.543 -16.543 400 HA PHE 53 HA PHE 53 9.263 -19.158 -19.158 401 1HB PHE 53 HB2 PHE 53 7.657 -18.192 -18.192 402 2HB PHE 53 HB1 PHE 53 7.319 -16.888 -16.888 403 HD1 PHE 53 HD1 PHE 53 7.532 -20.632 -20.632 404 HD2 PHE 53 HD2 PHE 53 5.412 -17.120 -17.120 405 HE1 PHE 53 HE1 PHE 53 5.917 -22.049 -22.049 406 HE2 PHE 53 HE2 PHE 53 3.777 -18.539 -18.539 407 HZ PHE 53 HZ PHE 53 4.043 -21.024 -21.024 408 H LEU 54 HN LEU 54 7.541 -16.506 -16.506 409 HA LEU 54 HA LEU 54 7.353 -17.782 -17.782 410 1HB LEU 54 HB2 LEU 54 6.600 -15.723 -15.723 411 2HB LEU 54 HB1 LEU 54 6.053 -15.797 -15.797 412 HG LEU 54 HG LEU 54 6.805 -13.592 -13.592 413 1HD1 LEU 54 HD13 LEU 54 7.745 -14.772 -14.772 414 2HD1 LEU 54 HD12 LEU 54 9.229 -15.024 -15.024 415 3HD1 LEU 54 HD11 LEU 54 8.697 -13.402 -13.402 416 1HD2 LEU 54 HD21 LEU 54 8.138 -14.255 -14.255 417 2HD2 LEU 54 HD23 LEU 54 8.515 -12.796 -12.796 418 3HD2 LEU 54 HD22 LEU 54 9.511 -14.233 -14.233 419 H LEU 55 HN LEU 55 10.197 -16.627 -16.627 420 HA LEU 55 HA LEU 55 11.497 -16.064 -16.064 421 1HB LEU 55 HB2 LEU 55 11.881 -14.839 -14.839 422 2HB LEU 55 HB1 LEU 55 12.886 -16.238 -16.238 423 HG LEU 55 HG LEU 55 13.222 -14.489 -14.489 424 1HD1 LEU 55 HD13 LEU 55 14.496 -14.448 -14.448 425 2HD1 LEU 55 HD12 LEU 55 15.416 -13.922 -13.922 426 3HD1 LEU 55 HD11 LEU 55 13.915 -13.101 -13.101 427 1HD2 LEU 55 HD22 LEU 55 14.546 -16.984 -16.984 428 2HD2 LEU 55 HD21 LEU 55 14.221 -16.475 -16.475 429 3HD2 LEU 55 HD23 LEU 55 15.573 -15.778 -15.778 430 H LEU 56 HN LEU 56 11.564 -18.486 -18.486 431 HA LEU 56 HA LEU 56 13.622 -20.037 -20.037 432 1HB LEU 56 HB2 LEU 56 13.202 -21.743 -21.743 433 2HB LEU 56 HB1 LEU 56 12.779 -20.264 -20.264 434 HG LEU 56 HG LEU 56 10.349 -20.859 -20.859 435 1HD1 LEU 56 HD12 LEU 56 11.513 -23.023 -23.023 436 2HD1 LEU 56 HD11 LEU 56 11.362 -23.609 -23.609 437 3HD1 LEU 56 HD13 LEU 56 9.921 -23.161 -23.161 438 1HD2 LEU 56 HD22 LEU 56 11.055 -20.549 -20.549 439 2HD2 LEU 56 HD21 LEU 56 9.691 -21.619 -21.619 440 3HD2 LEU 56 HD23 LEU 56 11.284 -22.292 -22.292 441 H LYS 57 HN LYS 57 10.170 -19.855 -19.855 442 HA LYS 57 HA LYS 57 9.974 -22.215 -22.215 443 1HB LYS 57 HB2 LYS 57 8.367 -19.631 -19.631 444 2HB LYS 57 HB1 LYS 57 7.962 -20.988 -20.988 445 1HG LYS 57 HG2 LYS 57 8.326 -21.484 -21.484 446 2HG LYS 57 HG1 LYS 57 6.827 -20.750 -20.750 447 1HD LYS 57 HD2 LYS 57 6.419 -22.628 -22.628 448 2HD LYS 57 HD1 LYS 57 7.963 -23.354 -23.354 449 1HE LYS 57 HE2 LYS 57 6.133 -24.415 -24.415 450 2HE LYS 57 HE1 LYS 57 7.196 -23.531 -23.531 451 1HZ LYS 57 HZ2 LYS 57 4.819 -22.227 -22.227 452 2HZ LYS 57 HZ1 LYS 57 4.672 -23.218 -23.218 453 3HZ LYS 57 HZ3 LYS 57 5.662 -21.842 -21.842 454 H GLY 58 HN GLY 58 9.163 -19.303 -19.303 455 1HA GLY 58 HA2 GLY 58 11.133 -19.846 -19.846 456 2HA GLY 58 HA1 GLY 58 10.015 -18.477 -18.477 457 H ALA 59 HN ALA 59 11.112 -16.544 -16.544 458 HA ALA 59 HA ALA 59 12.676 -15.945 -15.945 459 1HB ALA 59 HB1 ALA 59 14.273 -17.045 -17.045 460 2HB ALA 59 HB3 ALA 59 14.964 -15.810 -15.810 461 3HB ALA 59 HB2 ALA 59 14.445 -17.342 -17.342 462 H ASP 60 HN ASP 60 11.432 -14.154 -14.154 463 HA ASP 60 HA ASP 60 11.829 -12.377 -12.377 464 1HB ASP 60 HB2 ASP 60 9.700 -12.495 -12.495 465 2HB ASP 60 HB1 ASP 60 10.614 -11.657 -11.657 466 H ILE 61 HN ILE 61 13.715 -13.389 -13.389 467 HA ILE 61 HA ILE 61 14.856 -11.303 -11.303 468 HB ILE 61 HB ILE 61 15.494 -13.774 -13.774 469 1HG1 ILE 61 HG12 ILE 61 17.591 -11.593 -11.593 470 2HG1 ILE 61 HG11 ILE 61 16.827 -12.328 -12.328 471 1HG2 ILE 61 HG22 ILE 61 15.817 -13.658 -13.658 472 2HG2 ILE 61 HG21 ILE 61 17.402 -12.980 -12.980 473 3HG2 ILE 61 HG23 ILE 61 16.984 -14.600 -14.600 474 1HD1 ILE 61 HD13 ILE 61 17.909 -14.544 -14.544 475 2HD1 ILE 61 HD12 ILE 61 19.014 -13.389 -13.389 476 3HD1 ILE 61 HD11 ILE 61 18.843 -13.453 -13.453 477 H ASN 62 HN ASN 62 14.916 -11.847 -11.847 478 HA ASN 62 HA ASN 62 16.519 -9.387 -9.387 479 1HB ASN 62 HB2 ASN 62 17.841 -10.572 -10.572 480 2HB ASN 62 HB1 ASN 62 18.121 -11.194 -11.194 481 1HD2 ASN 62 HD21 ASN 62 15.153 -12.387 -12.387 482 2HD2 ASN 62 HD22 ASN 62 15.510 -13.859 -13.859 483 H ALA 63 HN ALA 63 14.363 -11.804 -11.804 484 HA ALA 63 HA ALA 63 13.677 -11.385 -11.385 485 1HB ALA 63 HB3 ALA 63 12.115 -12.461 -12.461 486 2HB ALA 63 HB2 ALA 63 11.562 -10.893 -10.893 487 3HB ALA 63 HB1 ALA 63 11.286 -11.366 -11.366 488 HA PRO 64 HA PRO 64 11.417 -6.832 -6.832 489 1HB PRO 64 HB2 PRO 64 14.241 -6.147 -6.147 490 2HB PRO 64 HB1 PRO 64 12.727 -5.374 -5.374 491 1HG PRO 64 HG2 PRO 64 14.089 -7.449 -7.449 492 2HG PRO 64 HG1 PRO 64 12.432 -6.888 -6.888 493 1HD PRO 64 HD2 PRO 64 13.054 -9.461 -9.461 494 2HD PRO 64 HD1 PRO 64 11.481 -8.706 -8.706 495 H ASP 65 HN ASP 65 11.070 -5.764 -5.764 496 HA ASP 65 HA ASP 65 13.195 -5.329 -5.329 497 1HB ASP 65 HB2 ASP 65 10.529 -6.694 -6.694 498 2HB ASP 65 HB1 ASP 65 11.313 -5.819 -5.819 499 H LYS 66 HN LYS 66 9.845 -4.717 -4.717 500 HA LYS 66 HA LYS 66 9.829 -2.054 -2.054 501 1HB LYS 66 HB2 LYS 66 7.884 -3.796 -3.796 502 2HB LYS 66 HB1 LYS 66 7.735 -3.185 -3.185 503 1HG LYS 66 HG2 LYS 66 7.651 -1.490 -1.490 504 2HG LYS 66 HG1 LYS 66 6.261 -2.019 -2.019 505 1HD LYS 66 HD2 LYS 66 7.571 -0.890 -0.890 506 2HD LYS 66 HD1 LYS 66 8.340 0.009 0.009 507 1HE LYS 66 HE2 LYS 66 5.398 -0.092 -0.092 508 2HE LYS 66 HE1 LYS 66 6.460 1.316 1.316 509 1HZ LYS 66 HZ2 LYS 66 5.982 -0.285 -0.285 510 2HZ LYS 66 HZ1 LYS 66 4.943 0.984 0.984 511 3HZ LYS 66 HZ3 LYS 66 6.577 1.302 1.302 512 H HIS 67 HN HIS 67 9.990 -3.629 -3.629 513 HA HIS 67 HA HIS 67 9.930 -1.183 -1.183 514 1HB HIS 67 HB2 HIS 67 11.176 -3.721 -3.721 515 2HB HIS 67 HB1 HIS 67 10.082 -2.606 -2.606 516 HD1 HIS 67 HD1 HIS 67 9.846 -5.870 -5.870 517 HD2 HIS 67 HD2 HIS 67 7.589 -2.727 -2.727 518 HE1 HIS 67 HE1 HIS 67 7.672 -6.883 -6.883 519 H HIS 68 HN HIS 68 12.167 -2.715 -2.715 520 HA HIS 68 HA HIS 68 14.510 -2.645 -2.645 521 1HB HIS 68 HB2 HIS 68 15.306 -0.243 -0.243 522 2HB HIS 68 HB1 HIS 68 13.910 -0.563 -0.563 523 HD1 HIS 68 HD1 HIS 68 11.522 0.108 0.108 524 HD2 HIS 68 HD2 HIS 68 14.843 1.630 1.630 525 HE1 HIS 68 HE1 HIS 68 10.672 1.986 1.986 526 H ILE 69 HN ILE 69 13.748 -3.433 -3.433 527 HA ILE 69 HA ILE 69 16.238 -2.649 -2.649 528 HB ILE 69 HB ILE 69 13.847 -1.298 -1.298 529 1HG1 ILE 69 HG12 ILE 69 16.101 -0.348 -0.348 530 2HG1 ILE 69 HG11 ILE 69 15.365 -0.166 -0.166 531 1HG2 ILE 69 HG22 ILE 69 13.379 -3.297 -3.297 532 2HG2 ILE 69 HG21 ILE 69 14.897 -2.948 -2.948 533 3HG2 ILE 69 HG23 ILE 69 13.586 -1.771 -1.771 534 1HD1 ILE 69 HD13 ILE 69 16.582 -2.417 -2.417 535 2HD1 ILE 69 HD12 ILE 69 17.618 -1.916 -1.916 536 3HD1 ILE 69 HD11 ILE 69 17.441 -0.898 -0.898 537 H THR 70 HN THR 70 16.629 -3.638 -3.638 538 HA THR 70 HA THR 70 15.886 -6.487 -6.487 539 HB THR 70 HB THR 70 18.146 -6.877 -6.877 540 HG1 THR 70 HG1 THR 70 19.400 -5.657 -5.657 541 1HG2 THR 70 HG21 THR 70 17.791 -5.108 -5.108 542 2HG2 THR 70 HG23 THR 70 18.413 -3.968 -3.968 543 3HG2 THR 70 HG22 THR 70 19.418 -5.297 -5.297 544 HA PRO 71 HA PRO 71 13.760 -4.641 -4.641 545 1HB PRO 71 HB2 PRO 71 12.985 -7.437 -7.437 546 2HB PRO 71 HB1 PRO 71 11.939 -6.048 -6.048 547 1HG PRO 71 HG2 PRO 71 12.299 -8.080 -8.080 548 2HG PRO 71 HG1 PRO 71 11.964 -6.407 -6.407 549 1HD PRO 71 HD2 PRO 71 14.541 -7.884 -7.884 550 2HD PRO 71 HD1 PRO 71 13.910 -6.558 -6.558 551 H LEU 72 HN LEU 72 16.387 -6.759 -6.759 552 HA LEU 72 HA LEU 72 16.441 -7.307 -7.307 553 1HB LEU 72 HB2 LEU 72 19.016 -6.611 -6.611 554 2HB LEU 72 HB1 LEU 72 18.645 -7.976 -7.976 555 HG LEU 72 HG LEU 72 18.900 -8.934 -8.934 556 1HD1 LEU 72 HD12 LEU 72 16.475 -9.209 -9.209 557 2HD1 LEU 72 HD11 LEU 72 15.972 -8.631 -8.631 558 3HD1 LEU 72 HD13 LEU 72 16.956 -10.075 -10.075 559 1HD2 LEU 72 HD22 LEU 72 17.890 -6.359 -6.359 560 2HD2 LEU 72 HD21 LEU 72 18.986 -7.466 -7.466 561 3HD2 LEU 72 HD23 LEU 72 17.239 -7.681 -7.681 562 H LEU 73 HN LEU 73 17.106 -4.526 -4.526 563 HA LEU 73 HA LEU 73 18.220 -2.848 -2.848 564 1HB LEU 73 HB2 LEU 73 16.873 -2.211 -2.211 565 2HB LEU 73 HB1 LEU 73 17.563 -1.010 -1.010 566 HG LEU 73 HG LEU 73 19.728 -2.536 -2.536 567 1HD1 LEU 73 HD13 LEU 73 18.237 -3.128 -3.128 568 2HD1 LEU 73 HD12 LEU 73 19.911 -3.551 -3.551 569 3HD1 LEU 73 HD11 LEU 73 18.625 -4.282 -4.282 570 1HD2 LEU 73 HD23 LEU 73 18.719 -0.514 -0.514 571 2HD2 LEU 73 HD22 LEU 73 19.925 -0.331 -0.331 572 3HD2 LEU 73 HD21 LEU 73 20.306 -1.244 -1.244 573 H SER 74 HN SER 74 15.122 -3.993 -3.993 574 HA SER 74 HA SER 74 13.486 -1.931 -1.931 575 1HB SER 74 HB2 SER 74 11.723 -3.463 -3.463 576 2HB SER 74 HB1 SER 74 12.852 -4.153 -4.153 577 HG SER 74 HG SER 74 12.352 -4.883 -4.883 578 H ALA 75 HN ALA 75 14.781 -4.808 -4.808 579 HA ALA 75 HA ALA 75 13.724 -4.060 -4.060 580 1HB ALA 75 HB2 ALA 75 15.880 -6.009 -6.009 581 2HB ALA 75 HB1 ALA 75 15.354 -5.780 -5.780 582 3HB ALA 75 HB3 ALA 75 14.214 -6.366 -6.366 583 H VAL 76 HN VAL 76 16.747 -3.392 -3.392 584 HA VAL 76 HA VAL 76 18.448 -2.599 -2.599 585 HB VAL 76 HB VAL 76 17.886 -1.377 -1.377 586 1HG1 VAL 76 HG12 VAL 76 19.116 0.236 0.236 587 2HG1 VAL 76 HG11 VAL 76 20.468 -0.864 -0.864 588 3HG1 VAL 76 HG13 VAL 76 19.760 -0.017 -0.017 589 1HG2 VAL 76 HG23 VAL 76 20.045 -3.150 -3.150 590 2HG2 VAL 76 HG22 VAL 76 18.699 -3.653 -3.653 591 3HG2 VAL 76 HG21 VAL 76 19.941 -2.574 -2.574 592 H TYR 77 HN TYR 77 16.291 -0.267 -0.267 593 HA TYR 77 HA TYR 77 16.545 1.576 1.576 594 1HB TYR 77 HB2 TYR 77 14.255 1.922 1.922 595 2HB TYR 77 HB1 TYR 77 15.432 3.106 3.106 596 HD1 TYR 77 HD2 TYR 77 17.669 3.242 3.242 597 HD2 TYR 77 HD1 TYR 77 14.662 0.550 0.550 598 HE1 TYR 77 HE2 TYR 77 18.942 2.947 2.947 599 HE2 TYR 77 HE1 TYR 77 15.940 0.257 0.257 600 HH TYR 77 HH TYR 77 18.701 0.577 0.577 601 H GLU 78 HN GLU 78 15.660 -0.870 -0.870 602 HA GLU 78 HA GLU 78 12.832 -0.207 -0.207 603 1HB GLU 78 HB2 GLU 78 13.290 -2.239 -2.239 604 2HB GLU 78 HB1 GLU 78 13.854 -3.035 -3.035 605 1HG GLU 78 HG2 GLU 78 11.595 -2.198 -2.198 606 2HG GLU 78 HG1 GLU 78 11.082 -2.051 -2.051 607 H GLY 79 HN GLY 79 16.023 -1.227 -1.227 608 1HA GLY 79 HA2 GLY 79 16.941 -1.173 -1.173 609 2HA GLY 79 HA1 GLY 79 15.314 -0.919 -0.919 610 H HIS 80 HN HIS 80 14.830 -3.262 -3.262 611 HA HIS 80 HA HIS 80 14.798 -5.365 -5.365 612 1HB HIS 80 HB2 HIS 80 13.853 -5.116 -5.116 613 2HB HIS 80 HB1 HIS 80 14.064 -6.720 -6.720 614 HD1 HIS 80 HD1 HIS 80 11.906 -7.539 -7.539 615 HD2 HIS 80 HD2 HIS 80 12.333 -3.501 -3.501 616 HE1 HIS 80 HE1 HIS 80 9.899 -6.921 -6.921 617 H VAL 81 HN VAL 81 16.285 -5.079 -5.079 618 HA VAL 81 HA VAL 81 17.969 -6.456 -6.456 619 HB VAL 81 HB VAL 81 20.132 -5.814 -5.814 620 1HG1 VAL 81 HG11 VAL 81 19.362 -4.771 -4.771 621 2HG1 VAL 81 HG13 VAL 81 18.353 -3.680 -3.680 622 3HG1 VAL 81 HG12 VAL 81 20.107 -3.628 -3.628 623 1HG2 VAL 81 HG21 VAL 81 18.743 -5.184 -5.184 624 2HG2 VAL 81 HG23 VAL 81 19.740 -3.868 -3.868 625 3HG2 VAL 81 HG22 VAL 81 18.019 -3.897 -3.897 626 H SER 82 HN SER 82 16.364 -7.813 -7.813 627 HA SER 82 HA SER 82 18.312 -9.746 -9.746 628 1HB SER 82 HB2 SER 82 16.545 -9.444 -9.444 629 2HB SER 82 HB1 SER 82 15.352 -9.222 -9.222 630 HG SER 82 HG SER 82 15.144 -11.331 -11.331 631 H CYS 83 HN CYS 83 16.100 -9.088 -9.088 632 HA CYS 83 HA CYS 83 15.978 -11.807 -11.807 633 1HB CYS 83 HB2 CYS 83 15.014 -10.358 -10.358 634 2HB CYS 83 HB1 CYS 83 14.062 -10.652 -10.652 635 HG CYS 83 HG CYS 83 15.742 -8.111 -8.111 636 H VAL 84 HN VAL 84 17.438 -8.678 -8.678 637 HA VAL 84 HA VAL 84 18.753 -9.359 -9.359 638 HB VAL 84 HB VAL 84 20.601 -7.925 -7.925 639 1HG1 VAL 84 HG12 VAL 84 18.480 -6.995 -6.995 640 2HG1 VAL 84 HG11 VAL 84 17.877 -6.912 -6.912 641 3HG1 VAL 84 HG13 VAL 84 19.250 -5.922 -5.922 642 1HG2 VAL 84 HG22 VAL 84 19.368 -8.466 -8.466 643 2HG2 VAL 84 HG21 VAL 84 21.063 -8.408 -8.408 644 3HG2 VAL 84 HG23 VAL 84 20.149 -6.921 -6.921 645 H LYS 85 HN LYS 85 19.875 -10.154 -10.154 646 HA LYS 85 HA LYS 85 22.307 -11.345 -11.345 647 1HB LYS 85 HB2 LYS 85 20.565 -11.110 -11.110 648 2HB LYS 85 HB1 LYS 85 20.899 -12.824 -12.824 649 1HG LYS 85 HG2 LYS 85 22.652 -12.103 -12.103 650 2HG LYS 85 HG1 LYS 85 23.406 -12.046 -12.046 651 1HD LYS 85 HD2 LYS 85 22.704 -9.605 -9.605 652 2HD LYS 85 HD1 LYS 85 22.247 -9.734 -9.734 653 1HE LYS 85 HE2 LYS 85 24.993 -9.988 -9.988 654 2HE LYS 85 HE1 LYS 85 24.464 -8.913 -8.913 655 1HZ LYS 85 HZ1 LYS 85 24.089 -10.895 -10.895 656 2HZ LYS 85 HZ3 LYS 85 24.727 -11.867 -11.867 657 3HZ LYS 85 HZ2 LYS 85 25.715 -10.721 -10.721 658 H LEU 86 HN LEU 86 19.541 -13.442 -13.442 659 HA LEU 86 HA LEU 86 20.662 -15.619 -15.619 660 1HB LEU 86 HB2 LEU 86 18.457 -16.762 -16.762 661 2HB LEU 86 HB1 LEU 86 19.106 -16.180 -16.180 662 HG LEU 86 HG LEU 86 16.708 -15.812 -15.812 663 1HD1 LEU 86 HD12 LEU 86 18.360 -14.156 -14.156 664 2HD1 LEU 86 HD11 LEU 86 17.889 -13.078 -13.078 665 3HD1 LEU 86 HD13 LEU 86 16.671 -13.701 -13.701 666 1HD2 LEU 86 HD23 LEU 86 16.822 -15.465 -15.465 667 2HD2 LEU 86 HD22 LEU 86 15.659 -14.515 -14.515 668 3HD2 LEU 86 HD21 LEU 86 17.150 -13.782 -13.782 669 H LEU 87 HN LEU 87 19.315 -12.889 -12.889 670 HA LEU 87 HA LEU 87 17.847 -13.959 -13.959 671 1HB LEU 87 HB2 LEU 87 18.451 -11.450 -11.450 672 2HB LEU 87 HB1 LEU 87 19.205 -11.426 -11.426 673 HG LEU 87 HG LEU 87 16.353 -12.294 -12.294 674 1HD1 LEU 87 HD11 LEU 87 17.440 -9.585 -9.585 675 2HD1 LEU 87 HD13 LEU 87 15.737 -10.037 -10.037 676 3HD1 LEU 87 HD12 LEU 87 16.598 -9.971 -9.971 677 1HD2 LEU 87 HD22 LEU 87 17.628 -13.025 -13.025 678 2HD2 LEU 87 HD21 LEU 87 16.188 -12.060 -12.060 679 3HD2 LEU 87 HD23 LEU 87 17.780 -11.320 -11.320 680 H LEU 88 HN LEU 88 21.088 -13.591 -13.591 681 HA LEU 88 HA LEU 88 22.149 -13.827 -13.827 682 1HB LEU 88 HB2 LEU 88 23.545 -14.514 -14.514 683 2HB LEU 88 HB1 LEU 88 24.266 -13.986 -13.986 684 HG LEU 88 HG LEU 88 22.302 -12.267 -12.267 685 1HD1 LEU 88 HD12 LEU 88 25.273 -12.452 -12.452 686 2HD1 LEU 88 HD11 LEU 88 24.245 -11.171 -11.171 687 3HD1 LEU 88 HD13 LEU 88 24.020 -12.833 -12.833 688 1HD2 LEU 88 HD21 LEU 88 23.853 -12.062 -12.062 689 2HD2 LEU 88 HD23 LEU 88 22.565 -11.041 -11.041 690 3HD2 LEU 88 HD22 LEU 88 24.230 -10.755 -10.755 691 H SER 89 HN SER 89 21.076 -15.876 -15.876 692 HA SER 89 HA SER 89 22.387 -18.298 -18.298 693 1HB SER 89 HB2 SER 89 20.641 -17.840 -17.840 694 2HB SER 89 HB1 SER 89 19.425 -18.158 -18.158 695 HG SER 89 HG SER 89 21.577 -19.922 -19.922 696 H LYS 90 HN LYS 90 20.471 -16.289 -16.289 697 HA LYS 90 HA LYS 90 19.883 -18.442 -18.442 698 1HB LYS 90 HB2 LYS 90 18.514 -15.829 -15.829 699 2HB LYS 90 HB1 LYS 90 18.165 -16.723 -16.723 700 1HG LYS 90 HG2 LYS 90 16.582 -17.715 -17.715 701 2HG LYS 90 HG1 LYS 90 17.901 -18.754 -18.754 702 1HD LYS 90 HD2 LYS 90 17.092 -18.088 -18.088 703 2HD LYS 90 HD1 LYS 90 18.345 -16.877 -16.877 704 1HE LYS 90 HE2 LYS 90 16.652 -15.306 -15.306 705 2HE LYS 90 HE1 LYS 90 15.400 -16.526 -16.526 706 1HZ LYS 90 HZ1 LYS 90 17.064 -15.901 -15.901 707 2HZ LYS 90 HZ3 LYS 90 15.959 -14.709 -14.709 708 3HZ LYS 90 HZ2 LYS 90 15.408 -16.265 -16.265 709 H GLY 91 HN GLY 91 21.573 -15.526 -15.526 710 1HA GLY 91 HA2 GLY 91 23.546 -15.141 -15.141 711 2HA GLY 91 HA1 GLY 91 22.408 -15.283 -15.283 712 H ALA 92 HN ALA 92 20.792 -13.629 -13.629 713 HA ALA 92 HA ALA 92 20.176 -11.372 -11.372 714 1HB ALA 92 HB2 ALA 92 20.428 -12.109 -12.109 715 2HB ALA 92 HB1 ALA 92 20.638 -10.381 -10.381 716 3HB ALA 92 HB3 ALA 92 19.167 -11.178 -11.178 717 H ASP 93 HN ASP 93 23.341 -12.245 -12.245 718 HA ASP 93 HA ASP 93 25.374 -11.025 -11.025 719 1HB ASP 93 HB2 ASP 93 24.511 -10.979 -10.979 720 2HB ASP 93 HB1 ASP 93 24.054 -9.314 -9.314 721 H LYS 94 HN LYS 94 24.477 -7.987 -7.987 722 HA LYS 94 HA LYS 94 23.479 -6.919 -6.919 723 1HB LYS 94 HB2 LYS 94 25.529 -5.565 -5.565 724 2HB LYS 94 HB1 LYS 94 25.681 -7.286 -7.286 725 1HG LYS 94 HG2 LYS 94 27.285 -7.564 -7.564 726 2HG LYS 94 HG1 LYS 94 26.443 -6.552 -6.552 727 1HD LYS 94 HD2 LYS 94 27.905 -5.372 -5.372 728 2HD LYS 94 HD1 LYS 94 28.717 -5.700 -5.700 729 1HE LYS 94 HE2 LYS 94 26.991 -4.324 -4.324 730 2HE LYS 94 HE1 LYS 94 26.297 -3.926 -3.926 731 1HZ LYS 94 HZ3 LYS 94 28.719 -3.223 -3.223 732 2HZ LYS 94 HZ2 LYS 94 28.878 -3.112 -3.112 733 3HZ LYS 94 HZ1 LYS 94 27.718 -2.172 -2.172 734 H THR 95 HN THR 95 24.706 -6.528 -6.528 735 HA THR 95 HA THR 95 23.086 -4.042 -4.042 736 HB THR 95 HB THR 95 24.911 -3.341 -3.341 737 HG1 THR 95 HG1 THR 95 26.663 -4.439 -4.439 738 1HG2 THR 95 HG23 THR 95 24.988 -3.016 -3.016 739 2HG2 THR 95 HG22 THR 95 26.298 -2.347 -2.347 740 3HG2 THR 95 HG21 THR 95 24.638 -1.827 -1.827 741 H VAL 96 HN VAL 96 22.074 -6.459 -6.459 742 HA VAL 96 HA VAL 96 22.727 -7.353 -7.353 743 HB VAL 96 HB VAL 96 20.197 -7.678 -7.678 744 1HG1 VAL 96 HG11 VAL 96 21.057 -8.810 -8.810 745 2HG1 VAL 96 HG13 VAL 96 19.957 -9.706 -9.706 746 3HG1 VAL 96 HG12 VAL 96 19.505 -8.108 -8.108 747 1HG2 VAL 96 HG23 VAL 96 22.735 -9.278 -9.278 748 2HG2 VAL 96 HG22 VAL 96 21.878 -8.810 -8.810 749 3HG2 VAL 96 HG21 VAL 96 21.226 -10.080 -10.080 750 H LYS 97 HN LYS 97 21.130 -4.579 -4.579 751 HA LYS 97 HA LYS 97 20.623 -3.652 -3.652 752 1HB LYS 97 HB2 LYS 97 18.623 -5.414 -5.414 753 2HB LYS 97 HB1 LYS 97 17.893 -3.822 -3.822 754 1HG LYS 97 HG2 LYS 97 19.276 -4.810 -4.810 755 2HG LYS 97 HG1 LYS 97 17.543 -4.951 -4.951 756 1HD LYS 97 HD2 LYS 97 17.281 -2.563 -2.563 757 2HD LYS 97 HD1 LYS 97 19.026 -2.317 -2.317 758 1HE LYS 97 HE2 LYS 97 17.776 -1.969 -1.969 759 2HE LYS 97 HE1 LYS 97 19.240 -2.953 -2.953 760 1HZ LYS 97 HZ1 LYS 97 16.638 -4.237 -4.237 761 2HZ LYS 97 HZ3 LYS 97 17.083 -3.815 -3.815 762 3HZ LYS 97 HZ2 LYS 97 18.051 -4.885 -4.885 763 H GLY 98 HN GLY 98 21.086 -2.948 -2.948 764 1HA GLY 98 HA2 GLY 98 19.356 -0.629 -0.629 765 2HA GLY 98 HA1 GLY 98 20.778 -0.963 -0.963 766 HA PRO 99 HA PRO 99 21.378 2.477 2.477 767 1HB PRO 99 HB2 PRO 99 22.600 3.995 3.995 768 2HB PRO 99 HB1 PRO 99 21.206 4.429 4.429 769 1HG PRO 99 HG2 PRO 99 21.215 3.445 3.445 770 2HG PRO 99 HG1 PRO 99 19.828 3.988 3.988 771 1HD PRO 99 HD2 PRO 99 20.387 1.308 1.308 772 2HD PRO 99 HD1 PRO 99 19.186 1.813 1.813 773 H ASP 100 HN ASP 100 23.599 2.447 2.447 774 HA ASP 100 HA ASP 100 25.549 0.848 0.848 775 1HB ASP 100 HB2 ASP 100 25.816 3.333 3.333 776 2HB ASP 100 HB1 ASP 100 26.348 3.575 3.575 777 H GLY 101 HN GLY 101 27.371 2.424 2.424 778 1HA GLY 101 HA2 GLY 101 27.524 0.336 0.336 779 2HA GLY 101 HA1 GLY 101 28.217 1.940 1.940 780 H LEU 102 HN LEU 102 24.916 2.405 2.405 781 HA LEU 102 HA LEU 102 24.399 3.329 3.329 782 1HB LEU 102 HB2 LEU 102 22.916 3.753 3.753 783 2HB LEU 102 HB1 LEU 102 22.314 2.110 2.110 784 HG LEU 102 HG LEU 102 21.968 4.391 4.391 785 1HD1 LEU 102 HD11 LEU 102 20.077 2.828 2.828 786 2HD1 LEU 102 HD13 LEU 102 19.558 3.882 3.882 787 3HD1 LEU 102 HD12 LEU 102 20.427 4.559 4.559 788 1HD2 LEU 102 HD21 LEU 102 21.362 1.456 1.456 789 2HD2 LEU 102 HD23 LEU 102 22.207 2.538 2.538 790 3HD2 LEU 102 HD22 LEU 102 20.474 2.685 2.685 791 H THR 103 HN THR 103 22.885 0.391 0.391 792 HA THR 103 HA THR 103 21.987 -1.249 -1.249 793 HB THR 103 HB THR 103 23.790 -2.439 -2.439 794 HG1 THR 103 HG1 THR 103 24.600 -3.573 -3.573 795 1HG2 THR 103 HG21 THR 103 25.505 -0.517 -0.517 796 2HG2 THR 103 HG23 THR 103 26.160 -1.989 -1.989 797 3HG2 THR 103 HG22 THR 103 25.462 -0.762 -0.762 798 H ALA 104 HN ALA 104 24.545 -1.455 -1.455 799 HA ALA 104 HA ALA 104 22.987 -0.318 -0.318 800 1HB ALA 104 HB3 ALA 104 25.502 -1.887 -1.887 801 2HB ALA 104 HB2 ALA 104 25.004 -1.246 -1.246 802 3HB ALA 104 HB1 ALA 104 23.973 -2.390 -2.390 803 H LEU 105 HN LEU 105 25.946 0.512 0.512 804 HA LEU 105 HA LEU 105 27.157 2.201 2.201 805 1HB LEU 105 HB2 LEU 105 27.067 2.856 2.856 806 2HB LEU 105 HB1 LEU 105 28.347 3.161 3.161 807 HG LEU 105 HG LEU 105 27.452 0.461 0.461 808 1HD1 LEU 105 HD12 LEU 105 28.777 2.001 2.001 809 2HD1 LEU 105 HD11 LEU 105 30.087 1.903 1.903 810 3HD1 LEU 105 HD13 LEU 105 29.533 0.447 0.447 811 1HD2 LEU 105 HD23 LEU 105 29.481 1.360 1.360 812 2HD2 LEU 105 HD22 LEU 105 28.179 0.186 0.186 813 3HD2 LEU 105 HD21 LEU 105 29.581 -0.209 -0.209 814 H GLU 106 HN GLU 106 25.319 3.555 3.555 815 HA GLU 106 HA GLU 106 25.117 6.033 6.033 816 1HB GLU 106 HB2 GLU 106 23.692 5.330 5.330 817 2HB GLU 106 HB1 GLU 106 24.081 6.915 6.915 818 1HG GLU 106 HG2 GLU 106 26.127 4.803 4.803 819 2HG GLU 106 HG1 GLU 106 25.622 6.095 6.095 820 H ALA 107 HN ALA 107 23.503 3.289 3.289 821 HA ALA 107 HA ALA 107 20.782 4.272 4.272 822 1HB ALA 107 HB2 ALA 107 22.168 1.814 1.814 823 2HB ALA 107 HB1 ALA 107 20.477 2.123 2.123 824 3HB ALA 107 HB3 ALA 107 20.983 1.947 1.947 825 H THR 108 HN THR 108 23.268 3.755 3.755 826 HA THR 108 HA THR 108 21.758 5.640 5.640 827 HB THR 108 HB THR 108 20.693 3.406 3.406 828 HG1 THR 108 HG1 THR 108 20.728 4.799 4.799 829 1HG2 THR 108 HG23 THR 108 23.054 2.301 2.301 830 2HG2 THR 108 HG22 THR 108 23.239 2.469 2.469 831 3HG2 THR 108 HG21 THR 108 21.909 1.540 1.540 832 H ASP 109 HN ASP 109 22.835 4.510 4.510 833 HA ASP 109 HA ASP 109 25.753 4.690 4.690 834 1HB ASP 109 HB2 ASP 109 24.918 7.047 7.047 835 2HB ASP 109 HB1 ASP 109 24.139 6.514 6.514 836 H ASN 110 HN ASN 110 22.950 3.297 3.297 837 HA ASN 110 HA ASN 110 24.138 2.568 2.568 838 1HB ASN 110 HB2 ASN 110 22.223 1.156 1.156 839 2HB ASN 110 HB1 ASN 110 21.617 2.639 2.639 840 1HD2 ASN 110 HD21 ASN 110 22.880 1.672 1.672 841 2HD2 ASN 110 HD22 ASN 110 21.752 0.568 0.568 842 H GLN 111 HN GLN 111 25.357 0.721 0.721 843 HA GLN 111 HA GLN 111 26.650 -0.268 -0.268 844 1HB GLN 111 HB2 GLN 111 27.945 0.115 0.115 845 2HB GLN 111 HB1 GLN 111 26.877 -0.817 -0.817 846 1HG GLN 111 HG2 GLN 111 28.187 -2.224 -2.224 847 2HG GLN 111 HG1 GLN 111 29.151 -1.836 -1.836 848 1HE2 GLN 111 HE21 GLN 111 28.279 -4.542 -4.542 849 2HE2 GLN 111 HE22 GLN 111 27.413 -5.210 -5.210 850 H ALA 112 HN ALA 112 23.750 -1.437 -1.437 851 HA ALA 112 HA ALA 112 24.317 -4.267 -4.267 852 1HB ALA 112 HB3 ALA 112 21.721 -2.746 -2.746 853 2HB ALA 112 HB2 ALA 112 21.830 -4.504 -4.504 854 3HB ALA 112 HB1 ALA 112 22.488 -3.658 -3.658 855 H ILE 113 HN ILE 113 22.910 -1.704 -1.704 856 HA ILE 113 HA ILE 113 22.220 -3.184 -3.184 857 HB ILE 113 HB ILE 113 22.763 -0.361 -0.361 858 1HG1 ILE 113 HG12 ILE 113 20.511 -0.078 -0.078 859 2HG1 ILE 113 HG11 ILE 113 20.439 -1.828 -1.828 860 1HG2 ILE 113 HG22 ILE 113 22.849 -1.316 -1.316 861 2HG2 ILE 113 HG21 ILE 113 22.284 0.308 0.308 862 3HG2 ILE 113 HG23 ILE 113 23.916 -0.174 -0.174 863 1HD1 ILE 113 HD12 ILE 113 21.075 -1.244 -1.244 864 2HD1 ILE 113 HD11 ILE 113 20.073 0.134 0.134 865 3HD1 ILE 113 HD13 ILE 113 19.439 -1.497 -1.497 866 H LYS 114 HN LYS 114 24.882 -1.205 -1.205 867 HA LYS 114 HA LYS 114 26.502 -1.460 -1.460 868 1HB LYS 114 HB2 LYS 114 27.446 -1.342 -1.342 869 2HB LYS 114 HB1 LYS 114 28.322 -0.782 -0.782 870 1HG LYS 114 HG2 LYS 114 25.617 0.355 0.355 871 2HG LYS 114 HG1 LYS 114 27.102 1.046 1.046 872 1HD LYS 114 HD2 LYS 114 27.806 1.177 1.177 873 2HD LYS 114 HD1 LYS 114 26.106 0.877 0.877 874 1HE LYS 114 HE2 LYS 114 26.466 3.271 3.271 875 2HE LYS 114 HE1 LYS 114 25.530 2.837 2.837 876 1HZ LYS 114 HZ1 LYS 114 28.464 2.915 2.915 877 2HZ LYS 114 HZ3 LYS 114 27.590 4.366 4.366 878 3HZ LYS 114 HZ2 LYS 114 27.318 3.150 3.150 879 H ALA 115 HN ALA 115 25.462 -3.825 -3.825 880 HA ALA 115 HA ALA 115 27.681 -5.620 -5.620 881 1HB ALA 115 HB2 ALA 115 25.659 -5.722 -5.722 882 2HB ALA 115 HB1 ALA 115 24.831 -6.536 -6.536 883 3HB ALA 115 HB3 ALA 115 26.291 -7.239 -7.239 884 H LEU 116 HN LEU 116 24.803 -5.055 -5.055 885 HA LEU 116 HA LEU 116 25.478 -7.334 -7.334 886 1HB LEU 116 HB2 LEU 116 23.559 -5.074 -5.074 887 2HB LEU 116 HB1 LEU 116 24.161 -5.643 -5.643 888 HG LEU 116 HG LEU 116 22.817 -7.346 -7.346 889 1HD1 LEU 116 HD11 LEU 116 21.927 -6.230 -6.230 890 2HD1 LEU 116 HD13 LEU 116 21.157 -7.657 -7.657 891 3HD1 LEU 116 HD12 LEU 116 21.100 -6.116 -6.116 892 1HD2 LEU 116 HD23 LEU 116 24.439 -8.018 -8.018 893 2HD2 LEU 116 HD22 LEU 116 24.057 -9.002 -9.002 894 3HD2 LEU 116 HD21 LEU 116 22.895 -8.862 -8.862 895 H LEU 117 HN LEU 117 26.848 -4.239 -4.239 896 HA LEU 117 HA LEU 117 28.164 -4.313 -4.313 897 1HB LEU 117 HB2 LEU 117 28.531 -2.106 -2.106 898 2HB LEU 117 HB1 LEU 117 27.537 -2.311 -2.311 899 HG LEU 117 HG LEU 117 29.747 -2.998 -2.998 900 1HD1 LEU 117 HD12 LEU 117 30.790 -2.649 -2.649 901 2HD1 LEU 117 HD11 LEU 117 31.401 -1.299 -1.299 902 3HD1 LEU 117 HD13 LEU 117 31.690 -2.950 -2.950 903 1HD2 LEU 117 HD23 LEU 117 28.416 -0.686 -0.686 904 2HD2 LEU 117 HD22 LEU 117 29.992 -0.819 -0.819 905 3HD2 LEU 117 HD21 LEU 117 29.845 -0.116 -0.116 906 H GLN 118 HN GLN 118 28.346 -5.968 -5.968 907 HA GLN 118 HA GLN 118 31.165 -6.180 -6.180 908 1HB GLN 118 HB2 GLN 118 29.277 -6.743 -6.743 909 2HB GLN 118 HB1 GLN 118 29.061 -8.214 -8.214 910 1HG GLN 118 HG2 GLN 118 31.331 -8.850 -8.850 911 2HG GLN 118 HG1 GLN 118 31.585 -7.363 -7.363 912 1HE2 GLN 118 HE21 GLN 118 28.585 -7.787 -7.787 913 2HE2 GLN 118 HE22 GLN 118 28.735 -8.873 -8.873 Start of MODEL 28 1 1H MET 1 HT2 MET 1 -10.190 -11.401 -11.401 2 2H MET 1 HT1 MET 1 -11.314 -10.141 -10.141 3 3H MET 1 HT3 MET 1 -11.468 -11.556 -11.556 4 HA MET 1 HA MET 1 -12.320 -12.777 -12.777 5 1HB MET 1 HB2 MET 1 -13.019 -9.965 -9.965 6 2HB MET 1 HB1 MET 1 -13.967 -11.427 -11.427 7 1HG MET 1 HG2 MET 1 -14.074 -11.662 -11.662 8 2HG MET 1 HG1 MET 1 -13.427 -10.024 -10.024 9 1HE MET 1 HE3 MET 1 -15.536 -10.552 -10.552 10 2HE MET 1 HE2 MET 1 -16.035 -8.886 -8.886 11 3HE MET 1 HE1 MET 1 -17.192 -10.195 -10.195 12 H CYS 2 HN CYS 2 -9.970 -10.441 -10.441 13 HA CYS 2 HA CYS 2 -9.432 -12.005 -12.005 14 1HB CYS 2 HB2 CYS 2 -9.894 -9.011 -9.011 15 2HB CYS 2 HB1 CYS 2 -9.477 -10.063 -10.063 16 HG CYS 2 HG CYS 2 -12.177 -10.431 -10.431 17 H ASP 3 HN ASP 3 -7.827 -9.523 -9.523 18 HA ASP 3 HA ASP 3 -5.291 -10.276 -10.276 19 1HB ASP 3 HB2 ASP 3 -6.332 -7.548 -7.548 20 2HB ASP 3 HB1 ASP 3 -4.622 -7.879 -7.879 21 H LYS 4 HN LYS 4 -7.640 -8.282 -8.282 22 HA LYS 4 HA LYS 4 -6.045 -6.998 -6.998 23 1HB LYS 4 HB2 LYS 4 -8.692 -8.279 -8.279 24 2HB LYS 4 HB1 LYS 4 -8.003 -6.780 -6.780 25 1HG LYS 4 HG2 LYS 4 -8.062 -5.996 -5.996 26 2HG LYS 4 HG1 LYS 4 -9.216 -7.312 -7.312 27 1HD LYS 4 HD2 LYS 4 -9.507 -5.159 -5.159 28 2HD LYS 4 HD1 LYS 4 -10.275 -5.082 -5.082 29 1HE LYS 4 HE2 LYS 4 -11.384 -7.270 -7.270 30 2HE LYS 4 HE1 LYS 4 -10.695 -7.230 -7.230 31 1HZ LYS 4 HZ1 LYS 4 -11.805 -4.833 -4.833 32 2HZ LYS 4 HZ3 LYS 4 -12.856 -5.648 -5.648 33 3HZ LYS 4 HZ2 LYS 4 -12.640 -6.212 -6.212 34 H GLU 5 HN GLU 5 -7.777 -10.069 -10.069 35 HA GLU 5 HA GLU 5 -6.428 -10.729 -10.729 36 1HB GLU 5 HB2 GLU 5 -8.399 -11.945 -11.945 37 2HB GLU 5 HB1 GLU 5 -7.251 -12.753 -12.753 38 1HG GLU 5 HG2 GLU 5 -7.382 -14.287 -14.287 39 2HG GLU 5 HG1 GLU 5 -6.002 -13.315 -13.315 40 H PHE 6 HN PHE 6 -5.269 -11.040 -11.040 41 HA PHE 6 HA PHE 6 -3.073 -12.813 -12.813 42 1HB PHE 6 HB2 PHE 6 -3.885 -12.485 -12.485 43 2HB PHE 6 HB1 PHE 6 -3.365 -10.801 -10.801 44 HD1 PHE 6 HD2 PHE 6 -1.950 -14.211 -14.211 45 HD2 PHE 6 HD1 PHE 6 -1.290 -10.306 -10.306 46 HE1 PHE 6 HE2 PHE 6 0.330 -14.893 -14.893 47 HE2 PHE 6 HE1 PHE 6 0.988 -10.990 -10.990 48 HZ PHE 6 HZ PHE 6 1.798 -13.283 -13.283 49 H MET 7 HN MET 7 -2.845 -9.325 -9.325 50 HA MET 7 HA MET 7 -0.205 -9.014 -9.014 51 1HB MET 7 HB2 MET 7 -0.494 -6.705 -6.705 52 2HB MET 7 HB1 MET 7 -1.693 -7.369 -7.369 53 1HG MET 7 HG2 MET 7 -3.373 -7.182 -7.182 54 2HG MET 7 HG1 MET 7 -2.154 -6.246 -6.246 55 1HE MET 7 HE3 MET 7 -4.021 -6.881 -6.881 56 2HE MET 7 HE2 MET 7 -4.601 -5.328 -5.328 57 3HE MET 7 HE1 MET 7 -3.010 -5.910 -5.910 58 H TRP 8 HN TRP 8 -3.274 -8.525 -8.525 59 HA TRP 8 HA TRP 8 -2.288 -7.474 -7.474 60 1HB TRP 8 HB2 TRP 8 -4.713 -7.903 -7.903 61 2HB TRP 8 HB1 TRP 8 -4.489 -9.531 -9.531 62 HD1 TRP 8 HD1 TRP 8 -4.200 -9.818 -9.818 63 HE1 TRP 8 HE1 TRP 8 -4.674 -8.249 -8.249 64 HE3 TRP 8 HE3 TRP 8 -4.704 -5.382 -5.382 65 HZ2 TRP 8 HZ2 TRP 8 -5.198 -5.477 -5.477 66 HZ3 TRP 8 HZ3 TRP 8 -5.188 -3.295 -3.295 67 HH2 TRP 8 HH2 TRP 8 -5.435 -3.336 -3.336 68 H ALA 9 HN ALA 9 -1.556 -10.538 -10.538 69 HA ALA 9 HA ALA 9 -1.115 -11.767 -11.767 70 1HB ALA 9 HB1 ALA 9 -0.579 -12.804 -12.804 71 2HB ALA 9 HB3 ALA 9 -0.320 -13.727 -13.727 72 3HB ALA 9 HB2 ALA 9 -1.948 -13.221 -13.221 73 H LEU 10 HN LEU 10 0.831 -10.608 -10.608 74 HA LEU 10 HA LEU 10 3.398 -11.278 -11.278 75 1HB LEU 10 HB2 LEU 10 2.598 -9.039 -9.039 76 2HB LEU 10 HB1 LEU 10 4.253 -9.563 -9.563 77 HG LEU 10 HG LEU 10 3.135 -11.952 -11.952 78 1HD1 LEU 10 HD11 LEU 10 0.945 -10.644 -10.644 79 2HD1 LEU 10 HD13 LEU 10 1.770 -10.020 -10.020 80 3HD1 LEU 10 HD12 LEU 10 1.494 -11.752 -11.752 81 1HD2 LEU 10 HD22 LEU 10 4.416 -9.785 -9.785 82 2HD2 LEU 10 HD21 LEU 10 5.069 -11.349 -11.349 83 3HD2 LEU 10 HD23 LEU 10 3.866 -11.260 -11.260 84 H LYS 11 HN LYS 11 1.052 -9.395 -9.395 85 HA LYS 11 HA LYS 11 2.626 -7.104 -7.104 86 1HB LYS 11 HB2 LYS 11 0.335 -6.750 -6.750 87 2HB LYS 11 HB1 LYS 11 -0.225 -8.002 -8.002 88 1HG LYS 11 HG2 LYS 11 0.297 -6.701 -6.701 89 2HG LYS 11 HG1 LYS 11 1.260 -5.563 -5.563 90 1HD LYS 11 HD2 LYS 11 -0.625 -4.599 -4.599 91 2HD LYS 11 HD1 LYS 11 -1.644 -5.993 -5.993 92 1HE LYS 11 HE2 LYS 11 -2.158 -4.049 -4.049 93 2HE LYS 11 HE1 LYS 11 -1.615 -5.455 -5.455 94 1HZ LYS 11 HZ3 LYS 11 0.350 -3.471 -3.471 95 2HZ LYS 11 HZ2 LYS 11 -0.591 -3.139 -3.139 96 3HZ LYS 11 HZ1 LYS 11 0.414 -4.508 -4.508 97 H ASN 12 HN ASN 12 0.347 -8.939 -8.939 98 HA ASN 12 HA ASN 12 2.082 -8.645 -8.645 99 1HB ASN 12 HB2 ASN 12 -0.706 -9.458 -9.458 100 2HB ASN 12 HB1 ASN 12 0.009 -10.180 -10.180 101 1HD2 ASN 12 HD21 ASN 12 1.384 -8.332 -8.332 102 2HD2 ASN 12 HD22 ASN 12 0.523 -6.890 -6.890 103 H GLY 13 HN GLY 13 2.499 -10.713 -10.713 104 1HA GLY 13 HA2 GLY 13 3.850 -12.644 -12.644 105 2HA GLY 13 HA1 GLY 13 3.663 -12.713 -12.713 106 H ASP 14 HN ASP 14 0.786 -12.490 -12.490 107 HA ASP 14 HA ASP 14 -0.161 -15.007 -15.007 108 1HB ASP 14 HB2 ASP 14 -1.352 -13.823 -13.823 109 2HB ASP 14 HB1 ASP 14 -2.131 -14.589 -14.589 110 H LEU 15 HN LEU 15 2.174 -15.543 -15.543 111 HA LEU 15 HA LEU 15 2.784 -16.192 -16.192 112 1HB LEU 15 HB2 LEU 15 4.308 -16.369 -16.369 113 2HB LEU 15 HB1 LEU 15 3.400 -17.759 -17.759 114 HG LEU 15 HG LEU 15 5.575 -18.213 -18.213 115 1HD1 LEU 15 HD12 LEU 15 3.187 -19.633 -19.633 116 2HD1 LEU 15 HD11 LEU 15 3.598 -19.741 -19.741 117 3HD1 LEU 15 HD13 LEU 15 4.749 -20.283 -20.283 118 1HD2 LEU 15 HD21 LEU 15 4.889 -16.527 -16.527 119 2HD2 LEU 15 HD23 LEU 15 5.605 -18.052 -18.052 120 3HD2 LEU 15 HD22 LEU 15 3.860 -17.822 -17.822 121 H ASP 16 HN ASP 16 0.556 -17.796 -17.796 122 HA ASP 16 HA ASP 16 0.298 -20.258 -20.258 123 1HB ASP 16 HB2 ASP 16 -1.744 -18.769 -18.769 124 2HB ASP 16 HB1 ASP 16 -1.798 -20.478 -20.478 125 H GLU 17 HN GLU 17 -1.060 -17.058 -17.058 126 HA GLU 17 HA GLU 17 -3.106 -17.924 -17.924 127 1HB GLU 17 HB2 GLU 17 -2.136 -15.294 -15.294 128 2HB GLU 17 HB1 GLU 17 -3.148 -15.325 -15.325 129 1HG GLU 17 HG2 GLU 17 -4.449 -15.088 -15.088 130 2HG GLU 17 HG1 GLU 17 -4.908 -16.492 -16.492 131 H VAL 18 HN VAL 18 0.040 -16.196 -16.196 132 HA VAL 18 HA VAL 18 -0.165 -15.979 -15.979 133 HB VAL 18 HB VAL 18 2.550 -16.200 -16.200 134 1HG1 VAL 18 HG12 VAL 18 0.977 -14.233 -14.233 135 2HG1 VAL 18 HG11 VAL 18 1.257 -13.620 -13.620 136 3HG1 VAL 18 HG13 VAL 18 2.619 -13.913 -13.913 137 1HG2 VAL 18 HG23 VAL 18 1.841 -16.632 -16.632 138 2HG2 VAL 18 HG22 VAL 18 3.155 -15.505 -15.505 139 3HG2 VAL 18 HG21 VAL 18 1.547 -14.892 -14.892 140 H LYS 19 HN LYS 19 0.938 -18.448 -18.448 141 HA LYS 19 HA LYS 19 2.262 -20.176 -20.176 142 1HB LYS 19 HB2 LYS 19 2.255 -20.323 -20.323 143 2HB LYS 19 HB1 LYS 19 0.629 -20.993 -20.993 144 1HG LYS 19 HG2 LYS 19 1.358 -22.989 -22.989 145 2HG LYS 19 HG1 LYS 19 2.800 -22.258 -22.258 146 1HD LYS 19 HD2 LYS 19 2.512 -22.355 -22.355 147 2HD LYS 19 HD1 LYS 19 3.033 -23.799 -23.799 148 1HE LYS 19 HE2 LYS 19 4.381 -21.222 -21.222 149 2HE LYS 19 HE1 LYS 19 4.793 -21.974 -21.974 150 1HZ LYS 19 HZ2 LYS 19 4.851 -23.367 -23.367 151 2HZ LYS 19 HZ1 LYS 19 6.214 -22.705 -22.705 152 3HZ LYS 19 HZ3 LYS 19 5.374 -23.988 -23.988 153 H ASP 20 HN ASP 20 -1.140 -19.740 -19.740 154 HA ASP 20 HA ASP 20 -2.079 -22.115 -22.115 155 1HB ASP 20 HB2 ASP 20 -3.409 -20.660 -20.660 156 2HB ASP 20 HB1 ASP 20 -3.575 -19.496 -19.496 157 H TYR 21 HN TYR 21 -1.920 -18.725 -18.725 158 HA TYR 21 HA TYR 21 -2.762 -19.339 -19.339 159 1HB TYR 21 HB2 TYR 21 -1.090 -17.067 -17.067 160 2HB TYR 21 HB1 TYR 21 -1.641 -17.142 -17.142 161 HD1 TYR 21 HD2 TYR 21 -4.102 -17.199 -17.199 162 HD2 TYR 21 HD1 TYR 21 -2.576 -16.470 -16.470 163 HE1 TYR 21 HE2 TYR 21 -6.307 -16.293 -16.293 164 HE2 TYR 21 HE1 TYR 21 -4.779 -15.562 -15.562 165 HH TYR 21 HH TYR 21 -7.593 -15.864 -15.864 166 H VAL 22 HN VAL 22 0.475 -18.973 -18.973 167 HA VAL 22 HA VAL 22 1.887 -19.595 -19.595 168 HB VAL 22 HB VAL 22 2.723 -19.613 -19.613 169 1HG1 VAL 22 HG13 VAL 22 4.272 -20.076 -20.076 170 2HG1 VAL 22 HG12 VAL 22 5.054 -19.440 -19.440 171 3HG1 VAL 22 HG11 VAL 22 4.295 -21.032 -21.032 172 1HG2 VAL 22 HG23 VAL 22 3.157 -17.659 -17.659 173 2HG2 VAL 22 HG22 VAL 22 2.054 -17.424 -17.424 174 3HG2 VAL 22 HG21 VAL 22 3.796 -17.477 -17.477 175 H ALA 23 HN ALA 23 0.486 -21.517 -21.517 176 HA ALA 23 HA ALA 23 1.955 -23.920 -23.920 177 1HB ALA 23 HB3 ALA 23 -0.795 -23.269 -23.269 178 2HB ALA 23 HB2 ALA 23 -0.370 -24.955 -24.955 179 3HB ALA 23 HB1 ALA 23 0.561 -24.000 -24.000 180 H LYS 24 HN LYS 24 -0.323 -22.302 -22.302 181 HA LYS 24 HA LYS 24 -1.471 -24.450 -24.450 182 1HB LYS 24 HB2 LYS 24 -0.827 -21.603 -21.603 183 2HB LYS 24 HB1 LYS 24 -1.442 -22.682 -22.682 184 1HG LYS 24 HG2 LYS 24 -3.479 -23.032 -23.032 185 2HG LYS 24 HG1 LYS 24 -2.830 -22.504 -22.504 186 1HD LYS 24 HD2 LYS 24 -4.293 -20.776 -20.776 187 2HD LYS 24 HD1 LYS 24 -2.628 -20.196 -20.196 188 1HE LYS 24 HE2 LYS 24 -2.390 -20.476 -20.476 189 2HE LYS 24 HE1 LYS 24 -3.789 -21.544 -21.544 190 1HZ LYS 24 HZ1 LYS 24 -3.980 -18.700 -18.700 191 2HZ LYS 24 HZ3 LYS 24 -4.159 -19.220 -19.220 192 3HZ LYS 24 HZ2 LYS 24 -5.249 -19.752 -19.752 193 H GLY 25 HN GLY 25 1.176 -22.439 -22.439 194 1HA GLY 25 HA2 GLY 25 2.826 -24.749 -24.749 195 2HA GLY 25 HA1 GLY 25 1.991 -24.206 -24.206 196 H GLU 26 HN GLU 26 4.099 -23.051 -23.051 197 HA GLU 26 HA GLU 26 5.506 -21.147 -21.147 198 1HB GLU 26 HB2 GLU 26 7.332 -21.429 -21.429 199 2HB GLU 26 HB1 GLU 26 7.004 -22.849 -22.849 200 1HG GLU 26 HG2 GLU 26 5.748 -23.888 -23.888 201 2HG GLU 26 HG1 GLU 26 5.793 -22.415 -22.415 202 H ASP 27 HN ASP 27 3.649 -19.654 -19.654 203 HA ASP 27 HA ASP 27 4.088 -18.406 -18.406 204 1HB ASP 27 HB2 ASP 27 1.714 -19.319 -19.319 205 2HB ASP 27 HB1 ASP 27 1.670 -17.799 -17.799 206 H VAL 28 HN VAL 28 5.535 -18.092 -18.092 207 HA VAL 28 HA VAL 28 4.814 -15.557 -15.557 208 HB VAL 28 HB VAL 28 7.132 -15.711 -15.711 209 1HG1 VAL 28 HG13 VAL 28 5.331 -18.153 -18.153 210 2HG1 VAL 28 HG12 VAL 28 6.617 -17.843 -17.843 211 3HG1 VAL 28 HG11 VAL 28 5.241 -16.746 -16.746 212 1HG2 VAL 28 HG23 VAL 28 7.961 -16.982 -16.982 213 2HG2 VAL 28 HG22 VAL 28 8.562 -17.518 -17.518 214 3HG2 VAL 28 HG21 VAL 28 7.265 -18.409 -18.409 215 H ASN 29 HN ASN 29 4.518 -14.739 -14.739 216 HA ASN 29 HA ASN 29 6.643 -12.853 -12.853 217 1HB ASN 29 HB2 ASN 29 5.975 -14.908 -14.908 218 2HB ASN 29 HB1 ASN 29 7.124 -13.587 -13.587 219 1HD2 ASN 29 HD21 ASN 29 6.518 -16.577 -16.577 220 2HD2 ASN 29 HD22 ASN 29 8.147 -16.911 -16.911 221 H ARG 30 HN ARG 30 3.896 -12.694 -12.694 222 HA ARG 30 HA ARG 30 2.561 -11.768 -11.768 223 1HB ARG 30 HB2 ARG 30 1.391 -12.301 -12.301 224 2HB ARG 30 HB1 ARG 30 0.486 -11.857 -11.857 225 1HG ARG 30 HG2 ARG 30 1.457 -13.933 -13.933 226 2HG ARG 30 HG1 ARG 30 2.039 -14.404 -14.404 227 1HD ARG 30 HD2 ARG 30 -0.718 -13.628 -13.628 228 2HD ARG 30 HD1 ARG 30 -0.574 -14.784 -14.784 229 HE ARG 30 HE ARG 30 0.923 -15.918 -15.918 230 1HH1 ARG 30 HH21 ARG 30 -2.272 -14.671 -14.671 231 2HH1 ARG 30 HH22 ARG 30 -2.971 -15.751 -15.751 232 1HH2 ARG 30 HH11 ARG 30 0.024 -17.339 -17.339 233 2HH2 ARG 30 HH12 ARG 30 -1.672 -17.260 -17.260 234 H THR 31 HN THR 31 2.219 -9.568 -9.568 235 HA THR 31 HA THR 31 3.494 -7.680 -7.680 236 HB THR 31 HB THR 31 1.002 -6.976 -6.976 237 HG1 THR 31 HG1 THR 31 3.555 -7.113 -7.113 238 1HG2 THR 31 HG22 THR 31 2.189 -5.250 -5.250 239 2HG2 THR 31 HG21 THR 31 3.655 -5.570 -5.570 240 3HG2 THR 31 HG23 THR 31 2.235 -4.898 -4.898 241 H LEU 32 HN LEU 32 3.057 -7.696 -7.696 242 HA LEU 32 HA LEU 32 0.844 -8.523 -8.523 243 1HB LEU 32 HB2 LEU 32 3.063 -7.712 -7.712 244 2HB LEU 32 HB1 LEU 32 2.449 -6.070 -6.070 245 HG LEU 32 HG LEU 32 0.868 -8.148 -8.148 246 1HD1 LEU 32 HD13 LEU 32 3.489 -7.085 -7.085 247 2HD1 LEU 32 HD12 LEU 32 2.267 -6.591 -6.591 248 3HD1 LEU 32 HD11 LEU 32 2.516 -8.301 -8.301 249 1HD2 LEU 32 HD21 LEU 32 1.030 -5.142 -5.142 250 2HD2 LEU 32 HD23 LEU 32 -0.393 -6.181 -6.181 251 3HD2 LEU 32 HD22 LEU 32 0.391 -5.908 -5.908 252 H GLU 33 HN GLU 33 1.210 -5.046 -5.046 253 HA GLU 33 HA GLU 33 -1.670 -4.690 -4.690 254 1HB GLU 33 HB2 GLU 33 -0.565 -3.264 -3.264 255 2HB GLU 33 HB1 GLU 33 0.713 -2.887 -2.887 256 1HG GLU 33 HG2 GLU 33 -0.961 -1.027 -1.027 257 2HG GLU 33 HG1 GLU 33 -0.753 -1.492 -1.492 258 H GLY 34 HN GLY 34 0.788 -2.917 -2.917 259 1HA GLY 34 HA2 GLY 34 -0.766 -3.495 -3.495 260 2HA GLY 34 HA1 GLY 34 -0.661 -1.800 -1.800 261 H GLY 35 HN GLY 35 2.082 -2.527 -2.527 262 1HA GLY 35 HA2 GLY 35 3.687 -3.078 -3.078 263 2HA GLY 35 HA1 GLY 35 3.828 -1.433 -1.433 264 H ARG 36 HN ARG 36 3.155 -3.796 -3.796 265 HA ARG 36 HA ARG 36 6.037 -3.765 -3.765 266 1HB ARG 36 HB2 ARG 36 3.720 -4.154 -4.154 267 2HB ARG 36 HB1 ARG 36 5.368 -3.638 -3.638 268 1HG ARG 36 HG2 ARG 36 4.344 -1.746 -1.746 269 2HG ARG 36 HG1 ARG 36 3.075 -2.000 -2.000 270 1HD ARG 36 HD2 ARG 36 4.853 -1.673 -1.673 271 2HD ARG 36 HD1 ARG 36 5.939 -1.156 -1.156 272 HE ARG 36 HE ARG 36 3.696 0.438 0.438 273 1HH1 ARG 36 HH21 ARG 36 5.838 -0.349 -0.349 274 2HH1 ARG 36 HH22 ARG 36 5.666 1.184 1.184 275 1HH2 ARG 36 HH11 ARG 36 3.460 2.454 2.454 276 2HH2 ARG 36 HH12 ARG 36 4.323 2.769 2.769 277 H LYS 37 HN LYS 37 6.706 -5.723 -5.723 278 HA LYS 37 HA LYS 37 5.310 -8.176 -8.176 279 1HB LYS 37 HB2 LYS 37 7.779 -9.067 -9.067 280 2HB LYS 37 HB1 LYS 37 7.409 -8.509 -8.509 281 1HG LYS 37 HG2 LYS 37 9.415 -7.377 -7.377 282 2HG LYS 37 HG1 LYS 37 8.107 -6.200 -6.200 283 1HD LYS 37 HD2 LYS 37 7.703 -6.491 -6.491 284 2HD LYS 37 HD1 LYS 37 9.052 -7.621 -7.621 285 1HE LYS 37 HE2 LYS 37 9.064 -4.660 -4.660 286 2HE LYS 37 HE1 LYS 37 10.220 -5.731 -5.731 287 1HZ LYS 37 HZ1 LYS 37 10.915 -6.406 -6.406 288 2HZ LYS 37 HZ3 LYS 37 9.988 -5.114 -5.114 289 3HZ LYS 37 HZ2 LYS 37 11.303 -4.813 -4.813 290 HA PRO 38 HA PRO 38 4.493 -9.381 -9.381 291 1HB PRO 38 HB2 PRO 38 5.036 -12.131 -12.131 292 2HB PRO 38 HB1 PRO 38 3.525 -11.354 -11.354 293 1HG PRO 38 HG2 PRO 38 5.630 -12.514 -12.514 294 2HG PRO 38 HG1 PRO 38 3.971 -12.076 -12.076 295 1HD PRO 38 HD2 PRO 38 6.352 -10.646 -10.646 296 2HD PRO 38 HD1 PRO 38 4.678 -10.129 -10.129 297 H LEU 39 HN LEU 39 7.286 -8.439 -8.439 298 HA LEU 39 HA LEU 39 8.508 -10.212 -10.212 299 1HB LEU 39 HB2 LEU 39 9.495 -10.374 -10.374 300 2HB LEU 39 HB1 LEU 39 10.169 -8.785 -8.785 301 HG LEU 39 HG LEU 39 11.801 -9.615 -9.615 302 1HD1 LEU 39 HD12 LEU 39 9.896 -11.761 -11.761 303 2HD1 LEU 39 HD11 LEU 39 11.542 -11.525 -11.525 304 3HD1 LEU 39 HD13 LEU 39 10.323 -10.285 -10.285 305 1HD2 LEU 39 HD21 LEU 39 11.645 -11.075 -11.075 306 2HD2 LEU 39 HD23 LEU 39 12.682 -11.635 -11.635 307 3HD2 LEU 39 HD22 LEU 39 11.083 -12.340 -12.340 308 H HIS 40 HN HIS 40 7.941 -6.962 -6.962 309 HA HIS 40 HA HIS 40 9.819 -5.653 -5.653 310 1HB HIS 40 HB2 HIS 40 9.116 -4.380 -4.380 311 2HB HIS 40 HB1 HIS 40 7.414 -4.697 -4.697 312 HD1 HIS 40 HD1 HIS 40 10.262 -2.498 -2.498 313 HD2 HIS 40 HD2 HIS 40 6.291 -3.114 -3.114 314 HE1 HIS 40 HE1 HIS 40 9.611 -0.532 -0.532 315 H TYR 41 HN TYR 41 6.328 -6.348 -6.348 316 HA TYR 41 HA TYR 41 5.981 -5.093 -5.093 317 1HB TYR 41 HB2 TYR 41 4.301 -7.318 -7.318 318 2HB TYR 41 HB1 TYR 41 3.797 -6.080 -6.080 319 HD1 TYR 41 HD1 TYR 41 5.053 -6.568 -6.568 320 HD2 TYR 41 HD2 TYR 41 3.024 -3.975 -3.975 321 HE1 TYR 41 HE1 TYR 41 4.502 -5.025 -5.025 322 HE2 TYR 41 HE2 TYR 41 2.468 -2.439 -2.439 323 HH TYR 41 HH TYR 41 2.264 -3.011 -3.011 324 H ALA 42 HN ALA 42 6.608 -8.386 -8.386 325 HA ALA 42 HA ALA 42 6.526 -9.627 -9.627 326 1HB ALA 42 HB3 ALA 42 7.909 -10.391 -10.391 327 2HB ALA 42 HB2 ALA 42 7.874 -11.426 -11.426 328 3HB ALA 42 HB1 ALA 42 6.372 -11.011 -11.011 329 H ALA 43 HN ALA 43 9.249 -8.650 -8.650 330 HA ALA 43 HA ALA 43 11.338 -9.080 -9.080 331 1HB ALA 43 HB2 ALA 43 11.003 -6.827 -6.827 332 2HB ALA 43 HB1 ALA 43 12.532 -7.298 -7.298 333 3HB ALA 43 HB3 ALA 43 11.695 -8.414 -8.414 334 H ASP 44 HN ASP 44 9.586 -6.024 -6.024 335 HA ASP 44 HA ASP 44 10.690 -4.483 -4.483 336 1HB ASP 44 HB2 ASP 44 7.926 -4.456 -4.456 337 2HB ASP 44 HB1 ASP 44 8.473 -3.240 -3.240 338 H CYS 45 HN CYS 45 7.831 -6.632 -6.632 339 HA CYS 45 HA CYS 45 8.308 -6.829 -6.829 340 1HB CYS 45 HB2 CYS 45 5.697 -5.724 -5.724 341 2HB CYS 45 HB1 CYS 45 6.070 -6.050 -6.050 342 HG CYS 45 HG CYS 45 6.514 -3.477 -3.477 343 H GLY 46 HN GLY 46 8.593 -8.910 -8.910 344 1HA GLY 46 HA2 GLY 46 5.973 -10.372 -10.372 345 2HA GLY 46 HA1 GLY 46 7.379 -10.824 -10.824 346 H GLN 47 HN GLN 47 7.500 -9.853 -9.853 347 HA GLN 47 HA GLN 47 8.460 -10.983 -10.983 348 1HB GLN 47 HB2 GLN 47 6.961 -13.357 -13.357 349 2HB GLN 47 HB1 GLN 47 7.421 -13.106 -13.106 350 1HG GLN 47 HG2 GLN 47 5.460 -11.434 -11.434 351 2HG GLN 47 HG1 GLN 47 5.058 -12.541 -12.541 352 1HE2 GLN 47 HE21 GLN 47 4.563 -9.598 -9.598 353 2HE2 GLN 47 HE22 GLN 47 5.396 -8.944 -8.944 354 H LEU 48 HN LEU 48 9.603 -11.075 -11.075 355 HA LEU 48 HA LEU 48 11.518 -11.852 -11.852 356 1HB LEU 48 HB2 LEU 48 12.011 -12.468 -12.468 357 2HB LEU 48 HB1 LEU 48 13.172 -12.971 -12.971 358 HG LEU 48 HG LEU 48 13.949 -10.862 -10.862 359 1HD1 LEU 48 HD12 LEU 48 11.077 -9.923 -9.923 360 2HD1 LEU 48 HD11 LEU 48 12.453 -8.849 -8.849 361 3HD1 LEU 48 HD13 LEU 48 12.107 -10.103 -10.103 362 1HD2 LEU 48 HD22 LEU 48 13.606 -11.083 -11.083 363 2HD2 LEU 48 HD21 LEU 48 13.784 -9.438 -9.438 364 3HD2 LEU 48 HD23 LEU 48 12.185 -10.059 -10.059 365 H GLU 49 HN GLU 49 9.187 -13.881 -13.881 366 HA GLU 49 HA GLU 49 10.660 -16.344 -16.344 367 1HB GLU 49 HB2 GLU 49 8.173 -17.272 -17.272 368 2HB GLU 49 HB1 GLU 49 9.352 -17.078 -17.078 369 1HG GLU 49 HG2 GLU 49 8.448 -14.945 -14.945 370 2HG GLU 49 HG1 GLU 49 7.403 -14.918 -14.918 371 H ILE 50 HN ILE 50 7.972 -14.254 -14.254 372 HA ILE 50 HA ILE 50 6.975 -15.691 -15.691 373 HB ILE 50 HB ILE 50 7.019 -12.694 -12.694 374 1HG1 ILE 50 HG12 ILE 50 5.771 -14.777 -14.777 375 2HG1 ILE 50 HG11 ILE 50 5.800 -13.044 -13.044 376 1HG2 ILE 50 HG23 ILE 50 5.205 -14.562 -14.562 377 2HG2 ILE 50 HG22 ILE 50 4.910 -12.838 -12.838 378 3HG2 ILE 50 HG21 ILE 50 6.332 -13.383 -13.383 379 1HD1 ILE 50 HD13 ILE 50 3.919 -14.218 -14.218 380 2HD1 ILE 50 HD12 ILE 50 3.510 -14.236 -14.236 381 3HD1 ILE 50 HD11 ILE 50 3.791 -12.703 -12.703 382 H LEU 51 HN LEU 51 9.532 -13.222 -13.222 383 HA LEU 51 HA LEU 51 9.794 -13.053 -13.053 384 1HB LEU 51 HB2 LEU 51 12.352 -12.531 -12.531 385 2HB LEU 51 HB1 LEU 51 11.070 -11.333 -11.333 386 HG LEU 51 HG LEU 51 12.335 -11.220 -11.220 387 1HD1 LEU 51 HD13 LEU 51 9.550 -11.406 -11.406 388 2HD1 LEU 51 HD12 LEU 51 9.991 -12.356 -12.356 389 3HD1 LEU 51 HD11 LEU 51 10.497 -10.676 -10.676 390 1HD2 LEU 51 HD22 LEU 51 12.852 -13.761 -13.761 391 2HD2 LEU 51 HD21 LEU 51 12.709 -12.999 -12.999 392 3HD2 LEU 51 HD23 LEU 51 11.366 -13.941 -13.941 393 H GLU 52 HN GLU 52 11.726 -15.060 -15.060 394 HA GLU 52 HA GLU 52 13.202 -16.425 -16.425 395 1HB GLU 52 HB2 GLU 52 12.195 -17.832 -17.832 396 2HB GLU 52 HB1 GLU 52 13.696 -18.093 -18.093 397 1HG GLU 52 HG2 GLU 52 14.454 -15.815 -15.815 398 2HG GLU 52 HG1 GLU 52 12.995 -15.695 -15.695 399 H PHE 53 HN PHE 53 9.901 -16.936 -16.936 400 HA PHE 53 HA PHE 53 9.461 -19.541 -19.541 401 1HB PHE 53 HB2 PHE 53 7.787 -18.637 -18.637 402 2HB PHE 53 HB1 PHE 53 7.572 -17.226 -17.226 403 HD1 PHE 53 HD1 PHE 53 7.657 -20.953 -20.953 404 HD2 PHE 53 HD2 PHE 53 5.586 -17.258 -17.258 405 HE1 PHE 53 HE1 PHE 53 5.958 -22.168 -22.168 406 HE2 PHE 53 HE2 PHE 53 3.884 -18.477 -18.477 407 HZ PHE 53 HZ PHE 53 4.073 -20.934 -20.934 408 H LEU 54 HN LEU 54 7.848 -16.826 -16.826 409 HA LEU 54 HA LEU 54 7.469 -18.277 -18.277 410 1HB LEU 54 HB2 LEU 54 7.481 -15.691 -15.691 411 2HB LEU 54 HB1 LEU 54 6.105 -16.475 -16.475 412 HG LEU 54 HG LEU 54 6.764 -15.585 -15.585 413 1HD1 LEU 54 HD11 LEU 54 9.127 -14.635 -14.635 414 2HD1 LEU 54 HD13 LEU 54 8.589 -13.698 -13.698 415 3HD1 LEU 54 HD12 LEU 54 9.090 -15.375 -15.375 416 1HD2 LEU 54 HD21 LEU 54 5.322 -14.279 -14.279 417 2HD2 LEU 54 HD23 LEU 54 6.184 -13.281 -13.281 418 3HD2 LEU 54 HD22 LEU 54 6.773 -13.403 -13.403 419 H LEU 55 HN LEU 55 10.267 -16.561 -16.561 420 HA LEU 55 HA LEU 55 11.579 -16.349 -16.349 421 1HB LEU 55 HB2 LEU 55 12.130 -15.353 -15.353 422 2HB LEU 55 HB1 LEU 55 13.231 -16.728 -16.728 423 HG LEU 55 HG LEU 55 13.100 -14.624 -14.624 424 1HD1 LEU 55 HD13 LEU 55 14.856 -14.942 -14.942 425 2HD1 LEU 55 HD12 LEU 55 15.376 -14.015 -14.015 426 3HD1 LEU 55 HD11 LEU 55 13.942 -13.521 -13.521 427 1HD2 LEU 55 HD22 LEU 55 14.982 -16.933 -16.933 428 2HD2 LEU 55 HD21 LEU 55 13.964 -16.726 -16.726 429 3HD2 LEU 55 HD23 LEU 55 15.338 -15.654 -15.654 430 H LEU 56 HN LEU 56 11.284 -18.774 -18.774 431 HA LEU 56 HA LEU 56 13.215 -20.678 -20.678 432 1HB LEU 56 HB2 LEU 56 11.258 -20.538 -20.538 433 2HB LEU 56 HB1 LEU 56 10.506 -21.661 -21.661 434 HG LEU 56 HG LEU 56 11.659 -23.042 -23.042 435 1HD1 LEU 56 HD11 LEU 56 12.267 -23.263 -23.263 436 2HD1 LEU 56 HD13 LEU 56 13.873 -22.784 -22.784 437 3HD1 LEU 56 HD12 LEU 56 13.110 -24.233 -24.233 438 1HD2 LEU 56 HD23 LEU 56 14.022 -21.160 -21.160 439 2HD2 LEU 56 HD22 LEU 56 12.947 -21.291 -21.291 440 3HD2 LEU 56 HD21 LEU 56 13.998 -22.639 -22.639 441 H LYS 57 HN LYS 57 9.848 -20.305 -20.305 442 HA LYS 57 HA LYS 57 9.882 -22.342 -22.342 443 1HB LYS 57 HB2 LYS 57 8.121 -19.995 -19.995 444 2HB LYS 57 HB1 LYS 57 7.925 -20.776 -20.776 445 1HG LYS 57 HG2 LYS 57 6.393 -21.822 -21.822 446 2HG LYS 57 HG1 LYS 57 7.681 -22.973 -22.973 447 1HD LYS 57 HD2 LYS 57 8.397 -21.281 -21.281 448 2HD LYS 57 HD1 LYS 57 6.861 -22.097 -22.097 449 1HE LYS 57 HE2 LYS 57 7.958 -24.257 -24.257 450 2HE LYS 57 HE1 LYS 57 9.495 -23.398 -23.398 451 1HZ LYS 57 HZ3 LYS 57 8.783 -22.663 -22.663 452 2HZ LYS 57 HZ2 LYS 57 7.837 -24.073 -24.073 453 3HZ LYS 57 HZ1 LYS 57 9.523 -24.168 -24.168 454 H GLY 58 HN GLY 58 8.933 -19.337 -19.337 455 1HA GLY 58 HA2 GLY 58 10.984 -19.507 -19.507 456 2HA GLY 58 HA1 GLY 58 9.780 -18.224 -18.224 457 H ALA 59 HN ALA 59 10.947 -16.303 -16.303 458 HA ALA 59 HA ALA 59 12.408 -15.685 -15.685 459 1HB ALA 59 HB2 ALA 59 14.148 -16.420 -16.420 460 2HB ALA 59 HB1 ALA 59 14.720 -15.518 -15.518 461 3HB ALA 59 HB3 ALA 59 14.151 -17.174 -17.174 462 H ASP 60 HN ASP 60 11.034 -13.826 -13.826 463 HA ASP 60 HA ASP 60 11.447 -12.085 -12.085 464 1HB ASP 60 HB2 ASP 60 9.297 -12.012 -12.012 465 2HB ASP 60 HB1 ASP 60 10.089 -11.653 -11.653 466 H ILE 61 HN ILE 61 13.356 -13.021 -13.021 467 HA ILE 61 HA ILE 61 14.484 -10.890 -10.890 468 HB ILE 61 HB ILE 61 15.128 -13.338 -13.338 469 1HG1 ILE 61 HG12 ILE 61 17.276 -11.219 -11.219 470 2HG1 ILE 61 HG11 ILE 61 16.543 -11.811 -11.811 471 1HG2 ILE 61 HG22 ILE 61 15.346 -13.343 -13.343 472 2HG2 ILE 61 HG21 ILE 61 16.940 -12.639 -12.639 473 3HG2 ILE 61 HG23 ILE 61 16.564 -14.235 -14.235 474 1HD1 ILE 61 HD12 ILE 61 17.497 -14.139 -14.139 475 2HD1 ILE 61 HD11 ILE 61 18.732 -12.958 -12.958 476 3HD1 ILE 61 HD13 ILE 61 18.320 -13.215 -13.215 477 H ASN 62 HN ASN 62 14.638 -11.609 -11.609 478 HA ASN 62 HA ASN 62 16.320 -9.190 -9.190 479 1HB ASN 62 HB2 ASN 62 17.433 -10.470 -10.470 480 2HB ASN 62 HB1 ASN 62 17.805 -11.060 -11.060 481 1HD2 ASN 62 HD21 ASN 62 14.691 -12.008 -12.008 482 2HD2 ASN 62 HD22 ASN 62 14.905 -13.541 -13.541 483 H ALA 63 HN ALA 63 13.871 -11.336 -11.336 484 HA ALA 63 HA ALA 63 13.204 -10.779 -10.779 485 1HB ALA 63 HB3 ALA 63 11.316 -10.363 -10.363 486 2HB ALA 63 HB2 ALA 63 10.811 -10.493 -10.493 487 3HB ALA 63 HB1 ALA 63 11.614 -11.849 -11.849 488 HA PRO 64 HA PRO 64 11.289 -6.199 -6.199 489 1HB PRO 64 HB2 PRO 64 14.124 -5.707 -5.707 490 2HB PRO 64 HB1 PRO 64 12.631 -4.955 -4.955 491 1HG PRO 64 HG2 PRO 64 13.955 -7.162 -7.162 492 2HG PRO 64 HG1 PRO 64 12.310 -6.624 -6.624 493 1HD PRO 64 HD2 PRO 64 13.000 -9.090 -9.090 494 2HD PRO 64 HD1 PRO 64 11.376 -8.366 -8.366 495 H ASP 65 HN ASP 65 11.158 -4.905 -4.905 496 HA ASP 65 HA ASP 65 13.383 -4.501 -4.501 497 1HB ASP 65 HB2 ASP 65 10.588 -5.497 -5.497 498 2HB ASP 65 HB1 ASP 65 11.564 -4.685 -4.685 499 H LYS 66 HN LYS 66 10.008 -3.669 -3.669 500 HA LYS 66 HA LYS 66 10.342 -0.905 -0.905 501 1HB LYS 66 HB2 LYS 66 8.216 -2.427 -2.427 502 2HB LYS 66 HB1 LYS 66 7.981 -1.973 -1.973 503 1HG LYS 66 HG2 LYS 66 8.452 0.107 0.107 504 2HG LYS 66 HG1 LYS 66 6.852 -0.531 -0.531 505 1HD LYS 66 HD2 LYS 66 7.660 0.046 0.046 506 2HD LYS 66 HD1 LYS 66 8.542 1.280 1.280 507 1HE LYS 66 HE2 LYS 66 5.562 0.777 0.777 508 2HE LYS 66 HE1 LYS 66 6.301 2.069 2.069 509 1HZ LYS 66 HZ3 LYS 66 7.475 2.479 2.479 510 2HZ LYS 66 HZ2 LYS 66 6.019 1.801 1.801 511 3HZ LYS 66 HZ1 LYS 66 5.995 3.194 3.194 512 H HIS 67 HN HIS 67 10.483 -2.770 -2.770 513 HA HIS 67 HA HIS 67 10.236 -0.502 -0.502 514 1HB HIS 67 HB2 HIS 67 11.506 -3.062 -3.062 515 2HB HIS 67 HB1 HIS 67 10.284 -2.089 -2.089 516 HD1 HIS 67 HD1 HIS 67 10.386 -5.298 -5.298 517 HD2 HIS 67 HD2 HIS 67 7.895 -2.172 -2.172 518 HE1 HIS 67 HE1 HIS 67 8.311 -6.369 -6.369 519 H HIS 68 HN HIS 68 12.591 -1.524 -1.524 520 HA HIS 68 HA HIS 68 14.948 -1.334 -1.334 521 1HB HIS 68 HB2 HIS 68 14.096 1.297 1.297 522 2HB HIS 68 HB1 HIS 68 15.638 0.995 0.995 523 HD1 HIS 68 HD1 HIS 68 11.925 0.643 0.643 524 HD2 HIS 68 HD2 HIS 68 15.536 1.592 1.592 525 HE1 HIS 68 HE1 HIS 68 11.365 1.235 1.235 526 H ILE 69 HN ILE 69 13.838 -2.482 -2.482 527 HA ILE 69 HA ILE 69 16.373 -2.239 -2.239 528 HB ILE 69 HB ILE 69 14.333 -0.474 -0.474 529 1HG1 ILE 69 HG12 ILE 69 16.765 -0.244 -0.244 530 2HG1 ILE 69 HG11 ILE 69 15.827 0.040 0.040 531 1HG2 ILE 69 HG23 ILE 69 13.126 -2.379 -2.379 532 2HG2 ILE 69 HG22 ILE 69 14.540 -2.706 -2.706 533 3HG2 ILE 69 HG21 ILE 69 13.657 -1.196 -1.196 534 1HD1 ILE 69 HD12 ILE 69 16.236 -2.555 -2.555 535 2HD1 ILE 69 HD11 ILE 69 17.607 -2.278 -2.278 536 3HD1 ILE 69 HD13 ILE 69 17.469 -1.379 -1.379 537 H THR 70 HN THR 70 16.623 -3.776 -3.776 538 HA THR 70 HA THR 70 14.786 -6.083 -6.083 539 HB THR 70 HB THR 70 16.863 -6.908 -6.908 540 HG1 THR 70 HG1 THR 70 16.550 -7.081 -7.081 541 1HG2 THR 70 HG21 THR 70 17.986 -4.837 -4.837 542 2HG2 THR 70 HG23 THR 70 18.986 -6.059 -6.059 543 3HG2 THR 70 HG22 THR 70 18.107 -4.885 -4.885 544 HA PRO 71 HA PRO 71 13.369 -5.372 -5.372 545 1HB PRO 71 HB2 PRO 71 13.530 -8.205 -8.205 546 2HB PRO 71 HB1 PRO 71 12.092 -7.208 -7.208 547 1HG PRO 71 HG2 PRO 71 12.906 -9.192 -9.192 548 2HG PRO 71 HG1 PRO 71 12.016 -7.756 -7.756 549 1HD PRO 71 HD2 PRO 71 14.945 -8.355 -8.355 550 2HD PRO 71 HD1 PRO 71 13.877 -7.475 -7.475 551 H LEU 72 HN LEU 72 16.551 -6.944 -6.944 552 HA LEU 72 HA LEU 72 16.868 -7.191 -7.191 553 1HB LEU 72 HB2 LEU 72 19.299 -6.149 -6.149 554 2HB LEU 72 HB1 LEU 72 19.078 -7.591 -7.591 555 HG LEU 72 HG LEU 72 19.607 -8.502 -8.502 556 1HD1 LEU 72 HD11 LEU 72 16.940 -8.794 -8.794 557 2HD1 LEU 72 HD13 LEU 72 16.855 -8.487 -8.487 558 3HD1 LEU 72 HD12 LEU 72 17.830 -9.815 -9.815 559 1HD2 LEU 72 HD23 LEU 72 19.709 -6.381 -6.381 560 2HD2 LEU 72 HD22 LEU 72 18.847 -7.590 -7.590 561 3HD2 LEU 72 HD21 LEU 72 17.949 -6.333 -6.333 562 H LEU 73 HN LEU 73 17.203 -4.351 -4.351 563 HA LEU 73 HA LEU 73 18.084 -2.647 -2.647 564 1HB LEU 73 HB2 LEU 73 16.800 -1.850 -1.850 565 2HB LEU 73 HB1 LEU 73 17.675 -0.784 -0.784 566 HG LEU 73 HG LEU 73 19.599 -2.578 -2.578 567 1HD1 LEU 73 HD11 LEU 73 17.633 -3.443 -3.443 568 2HD1 LEU 73 HD13 LEU 73 19.130 -2.972 -2.972 569 3HD1 LEU 73 HD12 LEU 73 19.160 -4.200 -4.200 570 1HD2 LEU 73 HD23 LEU 73 18.805 -0.398 -0.398 571 2HD2 LEU 73 HD22 LEU 73 20.054 -0.374 -0.374 572 3HD2 LEU 73 HD21 LEU 73 20.295 -1.311 -1.311 573 H SER 74 HN SER 74 15.029 -3.850 -3.850 574 HA SER 74 HA SER 74 13.341 -1.822 -1.822 575 1HB SER 74 HB2 SER 74 12.617 -3.782 -3.782 576 2HB SER 74 HB1 SER 74 12.797 -4.799 -4.799 577 HG SER 74 HG SER 74 10.733 -4.182 -4.182 578 H ALA 75 HN ALA 75 14.678 -4.740 -4.740 579 HA ALA 75 HA ALA 75 13.579 -4.109 -4.109 580 1HB ALA 75 HB2 ALA 75 15.678 -6.049 -6.049 581 2HB ALA 75 HB1 ALA 75 15.271 -5.882 -5.882 582 3HB ALA 75 HB3 ALA 75 14.040 -6.397 -6.397 583 H VAL 76 HN VAL 76 16.599 -3.386 -3.386 584 HA VAL 76 HA VAL 76 18.317 -2.687 -2.687 585 HB VAL 76 HB VAL 76 17.783 -1.399 -1.399 586 1HG1 VAL 76 HG13 VAL 76 18.809 0.173 0.173 587 2HG1 VAL 76 HG12 VAL 76 20.267 -0.757 -0.757 588 3HG1 VAL 76 HG11 VAL 76 19.484 0.154 0.154 589 1HG2 VAL 76 HG21 VAL 76 18.782 -3.669 -3.669 590 2HG2 VAL 76 HG23 VAL 76 19.925 -2.497 -2.497 591 3HG2 VAL 76 HG22 VAL 76 20.082 -3.048 -3.048 592 H TYR 77 HN TYR 77 16.244 -0.180 -0.180 593 HA TYR 77 HA TYR 77 16.468 1.536 1.536 594 1HB TYR 77 HB2 TYR 77 14.217 1.942 1.942 595 2HB TYR 77 HB1 TYR 77 15.385 3.107 3.107 596 HD1 TYR 77 HD2 TYR 77 17.630 3.314 3.314 597 HD2 TYR 77 HD1 TYR 77 14.678 0.620 0.620 598 HE1 TYR 77 HE2 TYR 77 18.917 3.127 3.127 599 HE2 TYR 77 HE1 TYR 77 15.975 0.439 0.439 600 HH TYR 77 HH TYR 77 17.762 1.110 1.110 601 H GLU 78 HN GLU 78 15.553 -0.972 -0.972 602 HA GLU 78 HA GLU 78 12.739 -0.320 -0.320 603 1HB GLU 78 HB2 GLU 78 13.141 -2.301 -2.301 604 2HB GLU 78 HB1 GLU 78 13.705 -3.165 -3.165 605 1HG GLU 78 HG2 GLU 78 11.432 -3.683 -3.683 606 2HG GLU 78 HG1 GLU 78 11.480 -2.285 -2.285 607 H GLY 79 HN GLY 79 15.869 -1.652 -1.652 608 1HA GLY 79 HA2 GLY 79 16.730 -1.560 -1.560 609 2HA GLY 79 HA1 GLY 79 15.073 -1.372 -1.372 610 H HIS 80 HN HIS 80 14.668 -3.591 -3.591 611 HA HIS 80 HA HIS 80 14.646 -5.825 -5.825 612 1HB HIS 80 HB2 HIS 80 13.755 -5.342 -5.342 613 2HB HIS 80 HB1 HIS 80 13.980 -7.011 -7.011 614 HD1 HIS 80 HD1 HIS 80 11.993 -8.021 -8.021 615 HD2 HIS 80 HD2 HIS 80 11.963 -3.862 -3.862 616 HE1 HIS 80 HE1 HIS 80 9.807 -7.389 -7.389 617 H VAL 81 HN VAL 81 16.089 -5.236 -5.236 618 HA VAL 81 HA VAL 81 17.861 -6.357 -6.357 619 HB VAL 81 HB VAL 81 20.000 -5.837 -5.837 620 1HG1 VAL 81 HG12 VAL 81 19.245 -4.621 -4.621 621 2HG1 VAL 81 HG11 VAL 81 18.111 -3.696 -3.696 622 3HG1 VAL 81 HG13 VAL 81 19.848 -3.504 -3.504 623 1HG2 VAL 81 HG22 VAL 81 18.641 -5.527 -5.527 624 2HG2 VAL 81 HG21 VAL 81 19.563 -4.088 -4.088 625 3HG2 VAL 81 HG23 VAL 81 17.834 -4.157 -4.157 626 H SER 82 HN SER 82 16.372 -8.001 -8.001 627 HA SER 82 HA SER 82 18.485 -9.962 -9.962 628 1HB SER 82 HB2 SER 82 16.052 -9.226 -9.226 629 2HB SER 82 HB1 SER 82 15.704 -10.793 -10.793 630 HG SER 82 HG SER 82 17.203 -10.179 -10.179 631 H CYS 83 HN CYS 83 16.009 -9.276 -9.276 632 HA CYS 83 HA CYS 83 15.901 -11.965 -11.965 633 1HB CYS 83 HB2 CYS 83 14.556 -10.548 -10.548 634 2HB CYS 83 HB1 CYS 83 13.856 -10.840 -10.840 635 HG CYS 83 HG CYS 83 14.283 -8.433 -8.433 636 H VAL 84 HN VAL 84 17.577 -8.951 -8.951 637 HA VAL 84 HA VAL 84 18.429 -9.366 -9.366 638 HB VAL 84 HB VAL 84 20.048 -7.606 -7.606 639 1HG1 VAL 84 HG13 VAL 84 17.351 -7.241 -7.241 640 2HG1 VAL 84 HG12 VAL 84 18.490 -5.911 -5.911 641 3HG1 VAL 84 HG11 VAL 84 17.854 -6.741 -6.741 642 1HG2 VAL 84 HG22 VAL 84 19.546 -8.450 -8.450 643 2HG2 VAL 84 HG21 VAL 84 21.068 -8.020 -8.020 644 3HG2 VAL 84 HG23 VAL 84 19.937 -6.758 -6.758 645 H LYS 85 HN LYS 85 19.774 -10.294 -10.294 646 HA LYS 85 HA LYS 85 22.282 -11.135 -11.135 647 1HB LYS 85 HB2 LYS 85 22.829 -11.771 -11.771 648 2HB LYS 85 HB1 LYS 85 21.712 -10.445 -10.445 649 1HG LYS 85 HG2 LYS 85 19.883 -12.217 -12.217 650 2HG LYS 85 HG1 LYS 85 21.184 -13.401 -13.401 651 1HD LYS 85 HD2 LYS 85 20.586 -11.086 -11.086 652 2HD LYS 85 HD1 LYS 85 20.631 -12.804 -12.804 653 1HE LYS 85 HE2 LYS 85 23.114 -12.700 -12.700 654 2HE LYS 85 HE1 LYS 85 22.939 -10.953 -10.953 655 1HZ LYS 85 HZ3 LYS 85 21.872 -12.358 -12.358 656 2HZ LYS 85 HZ2 LYS 85 23.517 -12.705 -12.705 657 3HZ LYS 85 HZ1 LYS 85 23.005 -11.097 -11.097 658 H LEU 86 HN LEU 86 19.481 -13.116 -13.116 659 HA LEU 86 HA LEU 86 20.633 -15.573 -15.573 660 1HB LEU 86 HB2 LEU 86 18.783 -16.559 -16.559 661 2HB LEU 86 HB1 LEU 86 18.441 -14.966 -14.966 662 HG LEU 86 HG LEU 86 16.445 -15.688 -15.688 663 1HD1 LEU 86 HD11 LEU 86 17.755 -13.408 -13.408 664 2HD1 LEU 86 HD13 LEU 86 17.148 -14.167 -14.167 665 3HD1 LEU 86 HD12 LEU 86 16.038 -13.766 -13.766 666 1HD2 LEU 86 HD23 LEU 86 18.128 -17.197 -17.197 667 2HD2 LEU 86 HD22 LEU 86 16.367 -17.155 -17.155 668 3HD2 LEU 86 HD21 LEU 86 17.286 -16.083 -16.083 669 H LEU 87 HN LEU 87 19.570 -12.906 -12.906 670 HA LEU 87 HA LEU 87 18.409 -14.166 -14.166 671 1HB LEU 87 HB2 LEU 87 18.788 -11.519 -11.519 672 2HB LEU 87 HB1 LEU 87 19.397 -11.567 -11.567 673 HG LEU 87 HG LEU 87 16.699 -12.687 -12.687 674 1HD1 LEU 87 HD11 LEU 87 17.542 -9.884 -9.884 675 2HD1 LEU 87 HD13 LEU 87 15.951 -10.466 -10.466 676 3HD1 LEU 87 HD12 LEU 87 16.388 -10.434 -10.434 677 1HD2 LEU 87 HD23 LEU 87 18.015 -11.858 -11.858 678 2HD2 LEU 87 HD22 LEU 87 17.572 -13.497 -13.497 679 3HD2 LEU 87 HD21 LEU 87 16.317 -12.306 -12.306 680 H LEU 88 HN LEU 88 21.215 -11.942 -11.942 681 HA LEU 88 HA LEU 88 22.191 -13.032 -13.032 682 1HB LEU 88 HB2 LEU 88 24.271 -11.960 -11.960 683 2HB LEU 88 HB1 LEU 88 23.072 -10.927 -10.927 684 HG LEU 88 HG LEU 88 24.901 -11.020 -11.020 685 1HD1 LEU 88 HD11 LEU 88 22.533 -11.542 -11.542 686 2HD1 LEU 88 HD13 LEU 88 23.144 -13.181 -13.181 687 3HD1 LEU 88 HD12 LEU 88 23.914 -11.835 -11.835 688 1HD2 LEU 88 HD22 LEU 88 25.563 -13.399 -13.399 689 2HD2 LEU 88 HD21 LEU 88 26.310 -12.775 -12.775 690 3HD2 LEU 88 HD23 LEU 88 25.002 -13.949 -13.949 691 H SER 89 HN SER 89 22.188 -14.561 -14.561 692 HA SER 89 HA SER 89 24.449 -16.295 -16.295 693 1HB SER 89 HB2 SER 89 21.812 -16.474 -16.474 694 2HB SER 89 HB1 SER 89 22.841 -17.898 -17.898 695 HG SER 89 HG SER 89 24.192 -17.004 -17.004 696 H LYS 90 HN LYS 90 21.544 -15.882 -15.882 697 HA LYS 90 HA LYS 90 21.627 -18.580 -18.580 698 1HB LYS 90 HB2 LYS 90 19.488 -17.578 -17.578 699 2HB LYS 90 HB1 LYS 90 19.484 -16.470 -16.470 700 1HG LYS 90 HG2 LYS 90 19.743 -18.657 -18.657 701 2HG LYS 90 HG1 LYS 90 19.105 -19.446 -19.446 702 1HD LYS 90 HD2 LYS 90 17.229 -18.898 -18.898 703 2HD LYS 90 HD1 LYS 90 17.181 -17.842 -17.842 704 1HE LYS 90 HE2 LYS 90 17.051 -16.993 -16.993 705 2HE LYS 90 HE1 LYS 90 17.502 -15.986 -15.986 706 1HZ LYS 90 HZ2 LYS 90 19.498 -17.612 -17.612 707 2HZ LYS 90 HZ1 LYS 90 19.064 -16.061 -16.061 708 3HZ LYS 90 HZ3 LYS 90 19.756 -16.260 -16.260 709 H GLY 91 HN GLY 91 22.157 -15.212 -15.212 710 1HA GLY 91 HA2 GLY 91 23.695 -15.205 -15.205 711 2HA GLY 91 HA1 GLY 91 22.107 -15.455 -15.455 712 H ALA 92 HN ALA 92 20.781 -13.693 -13.693 713 HA ALA 92 HA ALA 92 20.363 -11.379 -11.379 714 1HB ALA 92 HB2 ALA 92 20.297 -12.186 -12.186 715 2HB ALA 92 HB1 ALA 92 20.702 -10.475 -10.475 716 3HB ALA 92 HB3 ALA 92 19.216 -11.097 -11.097 717 H ASP 93 HN ASP 93 23.407 -12.292 -12.292 718 HA ASP 93 HA ASP 93 25.462 -11.142 -11.142 719 1HB ASP 93 HB2 ASP 93 24.877 -10.711 -10.711 720 2HB ASP 93 HB1 ASP 93 24.079 -9.222 -9.222 721 H LYS 94 HN LYS 94 24.318 -8.004 -8.004 722 HA LYS 94 HA LYS 94 23.395 -7.350 -7.350 723 1HB LYS 94 HB2 LYS 94 25.706 -7.731 -7.731 724 2HB LYS 94 HB1 LYS 94 26.269 -6.699 -6.699 725 1HG LYS 94 HG2 LYS 94 24.510 -5.034 -5.034 726 2HG LYS 94 HG1 LYS 94 25.264 -5.964 -5.964 727 1HD LYS 94 HD2 LYS 94 26.687 -4.083 -4.083 728 2HD LYS 94 HD1 LYS 94 27.504 -5.442 -5.442 729 1HE LYS 94 HE2 LYS 94 26.785 -4.747 -4.747 730 2HE LYS 94 HE1 LYS 94 25.673 -3.558 -3.558 731 1HZ LYS 94 HZ1 LYS 94 28.192 -3.030 -3.030 732 2HZ LYS 94 HZ3 LYS 94 28.394 -3.260 -3.260 733 3HZ LYS 94 HZ2 LYS 94 27.301 -2.089 -2.089 734 H THR 95 HN THR 95 24.842 -6.314 -6.314 735 HA THR 95 HA THR 95 23.018 -3.938 -3.938 736 HB THR 95 HB THR 95 24.992 -3.410 -3.410 737 HG1 THR 95 HG1 THR 95 26.391 -4.908 -4.908 738 1HG2 THR 95 HG21 THR 95 24.401 -2.444 -2.444 739 2HG2 THR 95 HG23 THR 95 25.864 -1.880 -1.880 740 3HG2 THR 95 HG22 THR 95 24.288 -1.590 -1.590 741 H VAL 96 HN VAL 96 21.944 -6.250 -6.250 742 HA VAL 96 HA VAL 96 22.423 -7.008 -7.008 743 HB VAL 96 HB VAL 96 19.883 -7.355 -7.355 744 1HG1 VAL 96 HG13 VAL 96 21.018 -8.690 -8.690 745 2HG1 VAL 96 HG12 VAL 96 19.756 -9.439 -9.439 746 3HG1 VAL 96 HG11 VAL 96 19.456 -7.893 -7.893 747 1HG2 VAL 96 HG22 VAL 96 22.043 -8.205 -8.205 748 2HG2 VAL 96 HG21 VAL 96 20.779 -9.408 -9.408 749 3HG2 VAL 96 HG23 VAL 96 22.159 -9.336 -9.336 750 H LYS 97 HN LYS 97 20.851 -4.266 -4.266 751 HA LYS 97 HA LYS 97 20.152 -3.346 -3.346 752 1HB LYS 97 HB2 LYS 97 18.334 -5.058 -5.058 753 2HB LYS 97 HB1 LYS 97 17.726 -3.633 -3.633 754 1HG LYS 97 HG2 LYS 97 16.612 -3.432 -3.432 755 2HG LYS 97 HG1 LYS 97 18.059 -2.478 -2.478 756 1HD LYS 97 HD2 LYS 97 19.117 -4.368 -4.368 757 2HD LYS 97 HD1 LYS 97 17.764 -5.417 -5.417 758 1HE LYS 97 HE2 LYS 97 17.597 -4.600 -4.600 759 2HE LYS 97 HE1 LYS 97 16.245 -4.049 -4.049 760 1HZ LYS 97 HZ3 LYS 97 18.686 -2.455 -2.455 761 2HZ LYS 97 HZ2 LYS 97 17.207 -2.279 -2.279 762 3HZ LYS 97 HZ1 LYS 97 17.310 -1.931 -1.931 763 H GLY 98 HN GLY 98 20.907 -2.628 -2.628 764 1HA GLY 98 HA2 GLY 98 19.350 -0.218 -0.218 765 2HA GLY 98 HA1 GLY 98 20.821 -0.634 -0.634 766 HA PRO 99 HA PRO 99 21.277 3.060 3.060 767 1HB PRO 99 HB2 PRO 99 22.689 4.017 4.017 768 2HB PRO 99 HB1 PRO 99 21.532 4.879 4.879 769 1HG PRO 99 HG2 PRO 99 20.983 3.777 3.777 770 2HG PRO 99 HG1 PRO 99 19.763 4.279 4.279 771 1HD PRO 99 HD2 PRO 99 20.401 1.587 1.587 772 2HD PRO 99 HD1 PRO 99 19.160 2.096 2.096 773 H ASP 100 HN ASP 100 23.557 2.309 2.309 774 HA ASP 100 HA ASP 100 25.378 0.892 0.892 775 1HB ASP 100 HB2 ASP 100 25.728 3.362 3.362 776 2HB ASP 100 HB1 ASP 100 26.340 3.571 3.571 777 H GLY 101 HN GLY 101 27.402 2.352 2.352 778 1HA GLY 101 HA2 GLY 101 27.520 0.214 0.214 779 2HA GLY 101 HA1 GLY 101 28.320 1.773 1.773 780 H LEU 102 HN LEU 102 25.051 2.409 2.409 781 HA LEU 102 HA LEU 102 24.643 3.400 3.400 782 1HB LEU 102 HB2 LEU 102 23.047 3.866 3.866 783 2HB LEU 102 HB1 LEU 102 22.393 2.246 2.246 784 HG LEU 102 HG LEU 102 22.609 4.232 4.232 785 1HD1 LEU 102 HD12 LEU 102 21.184 5.137 5.137 786 2HD1 LEU 102 HD11 LEU 102 20.127 3.749 3.749 787 3HD1 LEU 102 HD13 LEU 102 20.348 4.933 4.933 788 1HD2 LEU 102 HD23 LEU 102 21.397 1.549 1.549 789 2HD2 LEU 102 HD22 LEU 102 22.112 2.268 2.268 790 3HD2 LEU 102 HD21 LEU 102 20.466 2.690 2.690 791 H THR 103 HN THR 103 23.004 0.494 0.494 792 HA THR 103 HA THR 103 22.005 -1.135 -1.135 793 HB THR 103 HB THR 103 23.817 -2.397 -2.397 794 HG1 THR 103 HG1 THR 103 24.859 -3.155 -3.155 795 1HG2 THR 103 HG22 THR 103 25.553 -0.436 -0.436 796 2HG2 THR 103 HG21 THR 103 26.175 -1.923 -1.923 797 3HG2 THR 103 HG23 THR 103 25.482 -0.672 -0.672 798 H ALA 104 HN ALA 104 24.643 -1.200 -1.200 799 HA ALA 104 HA ALA 104 22.989 -0.194 -0.194 800 1HB ALA 104 HB2 ALA 104 25.506 -1.834 -1.834 801 2HB ALA 104 HB1 ALA 104 25.006 -1.143 -1.143 802 3HB ALA 104 HB3 ALA 104 23.961 -2.293 -2.293 803 H LEU 105 HN LEU 105 25.882 0.686 0.686 804 HA LEU 105 HA LEU 105 27.168 2.375 2.375 805 1HB LEU 105 HB2 LEU 105 26.967 2.935 2.935 806 2HB LEU 105 HB1 LEU 105 28.285 3.330 3.330 807 HG LEU 105 HG LEU 105 27.432 0.543 0.543 808 1HD1 LEU 105 HD12 LEU 105 28.749 2.104 2.104 809 2HD1 LEU 105 HD11 LEU 105 30.090 1.881 1.881 810 3HD1 LEU 105 HD13 LEU 105 29.394 0.489 0.489 811 1HD2 LEU 105 HD21 LEU 105 29.515 1.553 1.553 812 2HD2 LEU 105 HD23 LEU 105 28.224 0.391 0.391 813 3HD2 LEU 105 HD22 LEU 105 29.595 -0.058 -0.058 814 H GLU 106 HN GLU 106 25.301 3.758 3.758 815 HA GLU 106 HA GLU 106 25.046 6.249 6.249 816 1HB GLU 106 HB2 GLU 106 25.132 6.845 6.845 817 2HB GLU 106 HB1 GLU 106 24.572 5.269 5.269 818 1HG GLU 106 HG2 GLU 106 22.863 6.697 6.697 819 2HG GLU 106 HG1 GLU 106 22.228 6.075 6.075 820 H ALA 107 HN ALA 107 23.477 3.440 3.440 821 HA ALA 107 HA ALA 107 20.726 4.373 4.373 822 1HB ALA 107 HB2 ALA 107 22.130 1.902 1.902 823 2HB ALA 107 HB1 ALA 107 20.445 2.212 2.212 824 3HB ALA 107 HB3 ALA 107 20.923 2.043 2.043 825 H THR 108 HN THR 108 23.216 3.809 3.809 826 HA THR 108 HA THR 108 21.657 5.699 5.699 827 HB THR 108 HB THR 108 20.575 3.481 3.481 828 HG1 THR 108 HG1 THR 108 20.444 4.777 4.777 829 1HG2 THR 108 HG22 THR 108 23.090 2.489 2.489 830 2HG2 THR 108 HG21 THR 108 22.917 2.483 2.483 831 3HG2 THR 108 HG23 THR 108 21.764 1.603 1.603 832 H ASP 109 HN ASP 109 22.643 4.673 4.673 833 HA ASP 109 HA ASP 109 25.569 4.970 4.970 834 1HB ASP 109 HB2 ASP 109 24.604 7.247 7.247 835 2HB ASP 109 HB1 ASP 109 23.808 6.614 6.614 836 H ASN 110 HN ASN 110 22.825 3.402 3.402 837 HA ASN 110 HA ASN 110 23.929 2.594 2.594 838 1HB ASN 110 HB2 ASN 110 22.056 0.843 0.843 839 2HB ASN 110 HB1 ASN 110 21.528 2.521 2.521 840 1HD2 ASN 110 HD21 ASN 110 22.902 0.515 0.515 841 2HD2 ASN 110 HD22 ASN 110 21.600 0.713 0.713 842 H GLN 111 HN GLN 111 25.090 0.669 0.669 843 HA GLN 111 HA GLN 111 26.465 -0.302 -0.302 844 1HB GLN 111 HB2 GLN 111 27.793 0.128 0.128 845 2HB GLN 111 HB1 GLN 111 26.762 -0.837 -0.837 846 1HG GLN 111 HG2 GLN 111 27.594 -2.858 -2.858 847 2HG GLN 111 HG1 GLN 111 28.115 -2.134 -2.134 848 1HE2 GLN 111 HE21 GLN 111 29.371 -3.370 -3.370 849 2HE2 GLN 111 HE22 GLN 111 30.798 -2.457 -2.457 850 H ALA 112 HN ALA 112 23.502 -1.274 -1.274 851 HA ALA 112 HA ALA 112 23.999 -4.187 -4.187 852 1HB ALA 112 HB3 ALA 112 22.085 -3.174 -3.174 853 2HB ALA 112 HB2 ALA 112 21.340 -2.761 -2.761 854 3HB ALA 112 HB1 ALA 112 21.608 -4.451 -4.451 855 H ILE 113 HN ILE 113 22.615 -1.664 -1.664 856 HA ILE 113 HA ILE 113 21.980 -3.133 -3.133 857 HB ILE 113 HB ILE 113 22.555 -0.297 -0.297 858 1HG1 ILE 113 HG12 ILE 113 20.346 -0.012 -0.012 859 2HG1 ILE 113 HG11 ILE 113 20.242 -1.770 -1.770 860 1HG2 ILE 113 HG22 ILE 113 22.646 -1.339 -1.339 861 2HG2 ILE 113 HG21 ILE 113 22.130 0.316 0.316 862 3HG2 ILE 113 HG23 ILE 113 23.741 -0.218 -0.218 863 1HD1 ILE 113 HD12 ILE 113 20.866 -1.185 -1.185 864 2HD1 ILE 113 HD11 ILE 113 19.902 0.222 0.222 865 3HD1 ILE 113 HD13 ILE 113 19.220 -1.394 -1.394 866 H LYS 114 HN LYS 114 24.713 -1.256 -1.256 867 HA LYS 114 HA LYS 114 26.390 -1.570 -1.570 868 1HB LYS 114 HB2 LYS 114 27.280 -1.465 -1.465 869 2HB LYS 114 HB1 LYS 114 28.172 -0.889 -0.889 870 1HG LYS 114 HG2 LYS 114 25.465 0.224 0.224 871 2HG LYS 114 HG1 LYS 114 26.984 0.932 0.932 872 1HD LYS 114 HD2 LYS 114 27.656 1.178 1.178 873 2HD LYS 114 HD1 LYS 114 26.053 0.613 0.613 874 1HE LYS 114 HE2 LYS 114 26.882 3.260 3.260 875 2HE LYS 114 HE1 LYS 114 25.400 2.779 2.779 876 1HZ LYS 114 HZ1 LYS 114 24.677 1.845 1.845 877 2HZ LYS 114 HZ3 LYS 114 25.980 2.682 2.682 878 3HZ LYS 114 HZ2 LYS 114 24.749 3.540 3.540 879 H ALA 115 HN ALA 115 25.180 -3.893 -3.893 880 HA ALA 115 HA ALA 115 27.342 -5.760 -5.760 881 1HB ALA 115 HB3 ALA 115 25.222 -5.942 -5.942 882 2HB ALA 115 HB2 ALA 115 24.401 -6.464 -6.464 883 3HB ALA 115 HB1 ALA 115 25.710 -7.436 -7.436 884 H LEU 116 HN LEU 116 24.597 -5.304 -5.304 885 HA LEU 116 HA LEU 116 25.474 -7.441 -7.441 886 1HB LEU 116 HB2 LEU 116 23.389 -5.364 -5.364 887 2HB LEU 116 HB1 LEU 116 24.044 -5.732 -5.732 888 HG LEU 116 HG LEU 116 22.553 -7.538 -7.538 889 1HD1 LEU 116 HD12 LEU 116 22.405 -6.994 -6.994 890 2HD1 LEU 116 HD11 LEU 116 21.334 -8.076 -8.076 891 3HD1 LEU 116 HD13 LEU 116 21.317 -6.344 -6.344 892 1HD2 LEU 116 HD22 LEU 116 24.670 -8.347 -8.347 893 2HD2 LEU 116 HD21 LEU 116 24.217 -9.106 -9.106 894 3HD2 LEU 116 HD23 LEU 116 23.208 -9.331 -9.331 895 H LEU 117 HN LEU 117 26.660 -4.226 -4.226 896 HA LEU 117 HA LEU 117 27.656 -3.959 -3.959 897 1HB LEU 117 HB2 LEU 117 28.341 -1.877 -1.877 898 2HB LEU 117 HB1 LEU 117 27.317 -2.143 -2.143 899 HG LEU 117 HG LEU 117 29.424 -3.087 -3.087 900 1HD1 LEU 117 HD12 LEU 117 30.506 -2.374 -2.374 901 2HD1 LEU 117 HD11 LEU 117 31.315 -1.473 -1.473 902 3HD1 LEU 117 HD13 LEU 117 31.285 -3.232 -3.232 903 1HD2 LEU 117 HD21 LEU 117 28.291 -0.702 -0.702 904 2HD2 LEU 117 HD23 LEU 117 29.882 -0.958 -0.958 905 3HD2 LEU 117 HD22 LEU 117 29.741 -0.189 -0.189 906 H GLN 118 HN GLN 118 28.229 -6.066 -6.066 907 HA GLN 118 HA GLN 118 31.092 -6.324 -6.324 908 1HB GLN 118 HB2 GLN 118 28.779 -8.167 -8.167 909 2HB GLN 118 HB1 GLN 118 30.422 -8.804 -8.804 910 1HG GLN 118 HG2 GLN 118 29.666 -6.400 -6.400 911 2HG GLN 118 HG1 GLN 118 29.453 -8.044 -8.044 912 1HE2 GLN 118 HE21 GLN 118 31.747 -9.287 -9.287 913 2HE2 GLN 118 HE22 GLN 118 33.138 -8.602 -8.602 Start of MODEL 29 1 1H MET 1 HT1 MET 1 -11.633 -7.138 -7.138 2 2H MET 1 HT3 MET 1 -12.757 -5.897 -5.897 3 3H MET 1 HT2 MET 1 -11.283 -5.906 -5.906 4 HA MET 1 HA MET 1 -12.965 -6.649 -6.649 5 1HB MET 1 HB2 MET 1 -14.098 -8.906 -8.906 6 2HB MET 1 HB1 MET 1 -14.745 -7.375 -7.375 7 1HG MET 1 HG2 MET 1 -12.624 -8.865 -8.865 8 2HG MET 1 HG1 MET 1 -14.334 -9.252 -9.252 9 1HE MET 1 HE1 MET 1 -13.892 -8.820 -8.820 10 2HE MET 1 HE3 MET 1 -15.517 -8.306 -8.306 11 3HE MET 1 HE2 MET 1 -14.566 -7.321 -7.321 12 H CYS 2 HN CYS 2 -12.440 -9.796 -9.796 13 HA CYS 2 HA CYS 2 -10.852 -10.656 -10.656 14 1HB CYS 2 HB2 CYS 2 -12.182 -12.139 -12.139 15 2HB CYS 2 HB1 CYS 2 -10.904 -11.917 -11.917 16 HG CYS 2 HG CYS 2 -9.231 -13.090 -13.090 17 H ASP 3 HN ASP 3 -9.974 -8.892 -8.892 18 HA ASP 3 HA ASP 3 -7.353 -9.695 -9.695 19 1HB ASP 3 HB2 ASP 3 -8.001 -6.769 -6.769 20 2HB ASP 3 HB1 ASP 3 -6.972 -7.562 -7.562 21 H LYS 4 HN LYS 4 -8.287 -7.215 -7.215 22 HA LYS 4 HA LYS 4 -5.847 -6.663 -6.663 23 1HB LYS 4 HB2 LYS 4 -8.400 -7.087 -7.087 24 2HB LYS 4 HB1 LYS 4 -7.062 -6.012 -6.012 25 1HG LYS 4 HG2 LYS 4 -7.529 -4.861 -4.861 26 2HG LYS 4 HG1 LYS 4 -9.057 -5.743 -5.743 27 1HD LYS 4 HD2 LYS 4 -9.533 -4.769 -4.769 28 2HD LYS 4 HD1 LYS 4 -8.087 -3.774 -3.774 29 1HE LYS 4 HE2 LYS 4 -8.996 -2.622 -2.622 30 2HE LYS 4 HE1 LYS 4 -10.314 -3.783 -3.783 31 1HZ LYS 4 HZ3 LYS 4 -9.988 -2.257 -2.257 32 2HZ LYS 4 HZ2 LYS 4 -10.746 -1.538 -1.538 33 3HZ LYS 4 HZ1 LYS 4 -11.389 -2.953 -2.953 34 H GLU 5 HN GLU 5 -8.056 -9.266 -9.266 35 HA GLU 5 HA GLU 5 -6.565 -10.345 -10.345 36 1HB GLU 5 HB2 GLU 5 -8.812 -11.130 -11.130 37 2HB GLU 5 HB1 GLU 5 -7.726 -12.297 -12.297 38 1HG GLU 5 HG2 GLU 5 -6.897 -12.894 -12.894 39 2HG GLU 5 HG1 GLU 5 -8.169 -11.866 -11.866 40 H PHE 6 HN PHE 6 -5.802 -10.597 -10.597 41 HA PHE 6 HA PHE 6 -3.835 -12.702 -12.702 42 1HB PHE 6 HB2 PHE 6 -4.674 -12.624 -12.624 43 2HB PHE 6 HB1 PHE 6 -4.567 -10.868 -10.868 44 HD1 PHE 6 HD2 PHE 6 -1.972 -13.340 -13.340 45 HD2 PHE 6 HD1 PHE 6 -3.153 -10.444 -10.444 46 HE1 PHE 6 HE2 PHE 6 0.254 -13.525 -13.525 47 HE2 PHE 6 HE1 PHE 6 -0.928 -10.631 -10.631 48 HZ PHE 6 HZ PHE 6 0.776 -12.171 -12.171 49 H MET 7 HN MET 7 -3.267 -9.291 -9.291 50 HA MET 7 HA MET 7 -0.483 -9.434 -9.434 51 1HB MET 7 HB2 MET 7 -0.358 -7.131 -7.131 52 2HB MET 7 HB1 MET 7 -1.707 -7.703 -7.703 53 1HG MET 7 HG2 MET 7 -2.964 -7.051 -7.051 54 2HG MET 7 HG1 MET 7 -1.701 -5.823 -5.823 55 1HE MET 7 HE1 MET 7 -4.242 -7.821 -7.821 56 2HE MET 7 HE3 MET 7 -5.221 -6.741 -6.741 57 3HE MET 7 HE2 MET 7 -3.753 -7.462 -7.462 58 H TRP 8 HN TRP 8 -3.181 -8.563 -8.563 59 HA TRP 8 HA TRP 8 -1.587 -7.374 -7.374 60 1HB TRP 8 HB2 TRP 8 -3.819 -6.891 -6.891 61 2HB TRP 8 HB1 TRP 8 -4.337 -8.494 -8.494 62 HD1 TRP 8 HD1 TRP 8 -3.094 -6.572 -6.572 63 HE1 TRP 8 HE1 TRP 8 -3.637 -7.986 -7.986 64 HE3 TRP 8 HE3 TRP 8 -4.676 -10.840 -10.840 65 HZ2 TRP 8 HZ2 TRP 8 -4.633 -10.619 -10.619 66 HZ3 TRP 8 HZ3 TRP 8 -5.422 -12.791 -12.791 67 HH2 TRP 8 HH2 TRP 8 -5.400 -12.684 -12.684 68 H ALA 9 HN ALA 9 -1.416 -10.454 -10.454 69 HA ALA 9 HA ALA 9 -0.910 -11.778 -11.778 70 1HB ALA 9 HB2 ALA 9 -0.755 -12.786 -12.786 71 2HB ALA 9 HB1 ALA 9 -0.372 -13.767 -13.767 72 3HB ALA 9 HB3 ALA 9 -2.010 -13.151 -13.151 73 H LEU 10 HN LEU 10 0.892 -10.969 -10.969 74 HA LEU 10 HA LEU 10 3.464 -11.787 -11.787 75 1HB LEU 10 HB2 LEU 10 2.628 -9.361 -9.361 76 2HB LEU 10 HB1 LEU 10 4.293 -9.910 -9.910 77 HG LEU 10 HG LEU 10 3.094 -12.230 -12.230 78 1HD1 LEU 10 HD12 LEU 10 1.602 -9.962 -9.962 79 2HD1 LEU 10 HD11 LEU 10 1.489 -11.664 -11.664 80 3HD1 LEU 10 HD13 LEU 10 0.885 -11.117 -11.117 81 1HD2 LEU 10 HD23 LEU 10 4.174 -9.931 -9.931 82 2HD2 LEU 10 HD22 LEU 10 5.050 -11.347 -11.347 83 3HD2 LEU 10 HD21 LEU 10 3.829 -11.523 -11.523 84 H LYS 11 HN LYS 11 1.513 -9.096 -9.096 85 HA LYS 11 HA LYS 11 3.649 -7.626 -7.626 86 1HB LYS 11 HB2 LYS 11 2.050 -6.322 -6.322 87 2HB LYS 11 HB1 LYS 11 0.700 -7.173 -7.173 88 1HG LYS 11 HG2 LYS 11 1.064 -6.148 -6.148 89 2HG LYS 11 HG1 LYS 11 2.677 -5.597 -5.597 90 1HD LYS 11 HD2 LYS 11 1.060 -3.733 -3.733 91 2HD LYS 11 HD1 LYS 11 1.688 -4.118 -4.118 92 1HE LYS 11 HE2 LYS 11 -0.303 -5.172 -5.172 93 2HE LYS 11 HE1 LYS 11 -0.853 -5.408 -5.408 94 1HZ LYS 11 HZ3 LYS 11 -0.678 -2.777 -2.777 95 2HZ LYS 11 HZ2 LYS 11 -1.010 -3.046 -3.046 96 3HZ LYS 11 HZ1 LYS 11 -2.086 -3.606 -3.606 97 H ASN 12 HN ASN 12 0.472 -8.938 -8.938 98 HA ASN 12 HA ASN 12 1.161 -8.602 -8.602 99 1HB ASN 12 HB2 ASN 12 -1.179 -8.568 -8.568 100 2HB ASN 12 HB1 ASN 12 -1.065 -10.325 -10.325 101 1HD2 ASN 12 HD21 ASN 12 -1.944 -11.322 -11.322 102 2HD2 ASN 12 HD22 ASN 12 -1.996 -10.654 -10.654 103 H GLY 13 HN GLY 13 2.631 -10.548 -10.548 104 1HA GLY 13 HA2 GLY 13 3.848 -12.506 -12.506 105 2HA GLY 13 HA1 GLY 13 3.464 -12.374 -12.374 106 H ASP 14 HN ASP 14 0.660 -12.502 -12.502 107 HA ASP 14 HA ASP 14 -0.042 -15.075 -15.075 108 1HB ASP 14 HB2 ASP 14 -1.391 -13.984 -13.984 109 2HB ASP 14 HB1 ASP 14 -2.066 -14.852 -14.852 110 H LEU 15 HN LEU 15 2.300 -15.445 -15.445 111 HA LEU 15 HA LEU 15 2.893 -16.081 -16.081 112 1HB LEU 15 HB2 LEU 15 4.466 -16.125 -16.125 113 2HB LEU 15 HB1 LEU 15 3.677 -17.579 -17.579 114 HG LEU 15 HG LEU 15 5.859 -17.872 -17.872 115 1HD1 LEU 15 HD11 LEU 15 3.570 -19.464 -19.464 116 2HD1 LEU 15 HD13 LEU 15 4.011 -19.573 -19.573 117 3HD1 LEU 15 HD12 LEU 15 5.184 -19.997 -19.997 118 1HD2 LEU 15 HD22 LEU 15 5.032 -16.258 -16.258 119 2HD2 LEU 15 HD21 LEU 15 5.822 -17.744 -17.744 120 3HD2 LEU 15 HD23 LEU 15 4.066 -17.616 -17.616 121 H ASP 16 HN ASP 16 0.816 -17.790 -17.790 122 HA ASP 16 HA ASP 16 0.729 -20.298 -20.298 123 1HB ASP 16 HB2 ASP 16 -1.114 -18.866 -18.866 124 2HB ASP 16 HB1 ASP 16 -1.525 -20.441 -20.441 125 H GLU 17 HN GLU 17 -0.966 -17.240 -17.240 126 HA GLU 17 HA GLU 17 -2.989 -18.259 -18.259 127 1HB GLU 17 HB2 GLU 17 -3.383 -16.236 -16.236 128 2HB GLU 17 HB1 GLU 17 -2.063 -15.426 -15.426 129 1HG GLU 17 HG2 GLU 17 -3.235 -15.357 -15.357 130 2HG GLU 17 HG1 GLU 17 -4.341 -16.645 -16.645 131 H VAL 18 HN VAL 18 -0.030 -16.295 -16.295 132 HA VAL 18 HA VAL 18 -0.325 -16.111 -16.111 133 HB VAL 18 HB VAL 18 2.343 -15.853 -15.853 134 1HG1 VAL 18 HG12 VAL 18 0.047 -14.074 -14.074 135 2HG1 VAL 18 HG11 VAL 18 1.408 -13.510 -13.510 136 3HG1 VAL 18 HG13 VAL 18 1.607 -13.776 -13.776 137 1HG2 VAL 18 HG23 VAL 18 1.974 -16.758 -16.758 138 2HG2 VAL 18 HG22 VAL 18 3.044 -15.375 -15.375 139 3HG2 VAL 18 HG21 VAL 18 1.399 -15.127 -15.127 140 H LYS 19 HN LYS 19 1.038 -18.490 -18.490 141 HA LYS 19 HA LYS 19 2.497 -20.031 -20.031 142 1HB LYS 19 HB2 LYS 19 2.651 -20.226 -20.226 143 2HB LYS 19 HB1 LYS 19 1.070 -21.003 -21.003 144 1HG LYS 19 HG2 LYS 19 1.884 -22.899 -22.899 145 2HG LYS 19 HG1 LYS 19 3.358 -22.066 -22.066 146 1HD LYS 19 HD2 LYS 19 2.770 -22.424 -22.424 147 2HD LYS 19 HD1 LYS 19 3.456 -23.760 -23.760 148 1HE LYS 19 HE2 LYS 19 4.791 -21.172 -21.172 149 2HE LYS 19 HE1 LYS 19 4.937 -21.758 -21.758 150 1HZ LYS 19 HZ2 LYS 19 5.576 -23.955 -23.955 151 2HZ LYS 19 HZ1 LYS 19 5.743 -23.128 -23.128 152 3HZ LYS 19 HZ3 LYS 19 6.713 -22.701 -22.701 153 H ASP 20 HN ASP 20 -0.875 -19.748 -19.748 154 HA ASP 20 HA ASP 20 -1.733 -22.248 -22.248 155 1HB ASP 20 HB2 ASP 20 -3.120 -20.941 -20.941 156 2HB ASP 20 HB1 ASP 20 -3.271 -19.667 -19.667 157 H TYR 21 HN TYR 21 -1.997 -18.934 -18.934 158 HA TYR 21 HA TYR 21 -3.006 -19.870 -19.870 159 1HB TYR 21 HB2 TYR 21 -2.640 -17.739 -17.739 160 2HB TYR 21 HB1 TYR 21 -2.894 -17.470 -17.470 161 HD1 TYR 21 HD2 TYR 21 -0.394 -17.550 -17.550 162 HD2 TYR 21 HD1 TYR 21 -1.134 -16.820 -16.820 163 HE1 TYR 21 HE2 TYR 21 1.816 -16.435 -16.435 164 HE2 TYR 21 HE1 TYR 21 1.065 -15.699 -15.699 165 HH TYR 21 HH TYR 21 2.748 -14.701 -14.701 166 H VAL 22 HN VAL 22 0.458 -19.202 -19.202 167 HA VAL 22 HA VAL 22 1.295 -20.065 -20.065 168 HB VAL 22 HB VAL 22 2.700 -18.673 -18.673 169 1HG1 VAL 22 HG12 VAL 22 3.183 -21.375 -21.375 170 2HG1 VAL 22 HG11 VAL 22 4.059 -19.888 -19.888 171 3HG1 VAL 22 HG13 VAL 22 2.345 -20.013 -20.013 172 1HG2 VAL 22 HG21 VAL 22 3.871 -21.216 -21.216 173 2HG2 VAL 22 HG23 VAL 22 3.675 -19.671 -19.671 174 3HG2 VAL 22 HG22 VAL 22 4.826 -19.822 -19.822 175 H ALA 23 HN ALA 23 0.194 -21.783 -21.783 176 HA ALA 23 HA ALA 23 1.602 -24.227 -24.227 177 1HB ALA 23 HB2 ALA 23 -0.218 -23.570 -23.570 178 2HB ALA 23 HB1 ALA 23 -1.381 -24.081 -24.081 179 3HB ALA 23 HB3 ALA 23 -0.223 -25.239 -25.239 180 H LYS 24 HN LYS 24 -0.791 -22.726 -22.726 181 HA LYS 24 HA LYS 24 -1.742 -24.946 -24.946 182 1HB LYS 24 HB2 LYS 24 -1.430 -22.032 -22.032 183 2HB LYS 24 HB1 LYS 24 -1.633 -23.049 -23.049 184 1HG LYS 24 HG2 LYS 24 -3.816 -22.280 -22.280 185 2HG LYS 24 HG1 LYS 24 -3.677 -24.026 -24.026 186 1HD LYS 24 HD2 LYS 24 -3.147 -23.770 -23.770 187 2HD LYS 24 HD1 LYS 24 -3.086 -22.015 -22.015 188 1HE LYS 24 HE2 LYS 24 -5.241 -22.414 -22.414 189 2HE LYS 24 HE1 LYS 24 -5.537 -22.223 -22.223 190 1HZ LYS 24 HZ3 LYS 24 -4.938 -24.881 -24.881 191 2HZ LYS 24 HZ2 LYS 24 -5.950 -24.499 -24.499 192 3HZ LYS 24 HZ1 LYS 24 -6.473 -24.217 -24.217 193 H GLY 25 HN GLY 25 0.571 -22.702 -22.702 194 1HA GLY 25 HA2 GLY 25 2.541 -24.804 -24.804 195 2HA GLY 25 HA1 GLY 25 1.646 -24.436 -24.436 196 H GLU 26 HN GLU 26 3.898 -23.203 -23.203 197 HA GLU 26 HA GLU 26 5.117 -21.158 -21.158 198 1HB GLU 26 HB2 GLU 26 6.645 -21.191 -21.191 199 2HB GLU 26 HB1 GLU 26 6.708 -22.557 -22.557 200 1HG GLU 26 HG2 GLU 26 5.311 -23.892 -23.892 201 2HG GLU 26 HG1 GLU 26 4.953 -22.506 -22.506 202 H ASP 27 HN ASP 27 4.070 -19.256 -19.256 203 HA ASP 27 HA ASP 27 3.801 -17.983 -17.983 204 1HB ASP 27 HB2 ASP 27 1.542 -19.112 -19.112 205 2HB ASP 27 HB1 ASP 27 1.472 -17.640 -17.640 206 H VAL 28 HN VAL 28 5.704 -17.565 -17.565 207 HA VAL 28 HA VAL 28 4.845 -15.218 -15.218 208 HB VAL 28 HB VAL 28 7.134 -15.478 -15.478 209 1HG1 VAL 28 HG11 VAL 28 5.324 -17.913 -17.913 210 2HG1 VAL 28 HG13 VAL 28 6.557 -17.612 -17.612 211 3HG1 VAL 28 HG12 VAL 28 5.168 -16.533 -16.533 212 1HG2 VAL 28 HG21 VAL 28 8.036 -16.619 -16.619 213 2HG2 VAL 28 HG23 VAL 28 8.503 -17.349 -17.349 214 3HG2 VAL 28 HG22 VAL 28 7.221 -18.077 -18.077 215 H ASN 29 HN ASN 29 4.664 -14.273 -14.273 216 HA ASN 29 HA ASN 29 6.731 -12.323 -12.323 217 1HB ASN 29 HB2 ASN 29 7.364 -13.068 -13.068 218 2HB ASN 29 HB1 ASN 29 8.049 -14.027 -14.027 219 1HD2 ASN 29 HD21 ASN 29 6.475 -15.956 -15.956 220 2HD2 ASN 29 HD22 ASN 29 5.799 -16.806 -16.806 221 H ARG 30 HN ARG 30 3.817 -12.705 -12.705 222 HA ARG 30 HA ARG 30 2.902 -11.556 -11.556 223 1HB ARG 30 HB2 ARG 30 0.600 -11.955 -11.955 224 2HB ARG 30 HB1 ARG 30 1.414 -13.281 -13.281 225 1HG ARG 30 HG2 ARG 30 2.467 -13.980 -13.980 226 2HG ARG 30 HG1 ARG 30 1.719 -12.630 -12.630 227 1HD ARG 30 HD2 ARG 30 -0.444 -13.827 -13.827 228 2HD ARG 30 HD1 ARG 30 0.550 -15.213 -15.213 229 HE ARG 30 HE ARG 30 -1.089 -13.862 -13.862 230 1HH1 ARG 30 HH21 ARG 30 2.298 -14.488 -14.488 231 2HH1 ARG 30 HH22 ARG 30 2.592 -14.386 -14.386 232 1HH2 ARG 30 HH11 ARG 30 -0.716 -13.733 -13.733 233 2HH2 ARG 30 HH12 ARG 30 0.889 -13.955 -13.955 234 H THR 31 HN THR 31 1.871 -9.528 -9.528 235 HA THR 31 HA THR 31 2.785 -7.630 -7.630 236 HB THR 31 HB THR 31 0.158 -7.105 -7.105 237 HG1 THR 31 HG1 THR 31 0.906 -7.568 -7.568 238 1HG2 THR 31 HG21 THR 31 1.455 -5.382 -5.382 239 2HG2 THR 31 HG23 THR 31 2.774 -5.578 -5.578 240 3HG2 THR 31 HG22 THR 31 1.217 -4.951 -4.951 241 H LEU 32 HN LEU 32 2.374 -7.601 -7.601 242 HA LEU 32 HA LEU 32 0.358 -8.976 -8.976 243 1HB LEU 32 HB2 LEU 32 2.505 -7.995 -7.995 244 2HB LEU 32 HB1 LEU 32 1.730 -6.416 -6.416 245 HG LEU 32 HG LEU 32 0.427 -8.719 -8.719 246 1HD1 LEU 32 HD11 LEU 32 2.918 -7.288 -7.288 247 2HD1 LEU 32 HD13 LEU 32 1.698 -7.275 -7.275 248 3HD1 LEU 32 HD12 LEU 32 2.281 -8.808 -8.808 249 1HD2 LEU 32 HD21 LEU 32 0.275 -5.713 -5.713 250 2HD2 LEU 32 HD23 LEU 32 -1.038 -6.895 -6.895 251 3HD2 LEU 32 HD22 LEU 32 -0.150 -6.571 -6.571 252 H GLU 33 HN GLU 33 0.388 -5.472 -5.472 253 HA GLU 33 HA GLU 33 -2.534 -5.427 -5.427 254 1HB GLU 33 HB2 GLU 33 -1.619 -3.998 -3.998 255 2HB GLU 33 HB1 GLU 33 -0.325 -3.464 -3.464 256 1HG GLU 33 HG2 GLU 33 -2.160 -1.756 -1.756 257 2HG GLU 33 HG1 GLU 33 -1.812 -2.069 -2.069 258 H GLY 34 HN GLY 34 -0.150 -3.481 -3.481 259 1HA GLY 34 HA2 GLY 34 -1.693 -3.946 -3.946 260 2HA GLY 34 HA1 GLY 34 -1.760 -2.287 -2.287 261 H GLY 35 HN GLY 35 1.079 -3.018 -3.018 262 1HA GLY 35 HA2 GLY 35 2.748 -3.215 -3.215 263 2HA GLY 35 HA1 GLY 35 2.677 -1.567 -1.567 264 H ARG 36 HN ARG 36 2.409 -4.403 -4.403 265 HA ARG 36 HA ARG 36 5.181 -3.932 -3.932 266 1HB ARG 36 HB2 ARG 36 2.876 -4.398 -4.398 267 2HB ARG 36 HB1 ARG 36 4.457 -3.684 -3.684 268 1HG ARG 36 HG2 ARG 36 3.824 -1.777 -1.777 269 2HG ARG 36 HG1 ARG 36 2.196 -2.447 -2.447 270 1HD ARG 36 HD2 ARG 36 1.733 -1.886 -1.886 271 2HD ARG 36 HD1 ARG 36 3.429 -1.952 -1.952 272 HE ARG 36 HE ARG 36 3.384 0.186 0.186 273 1HH1 ARG 36 HH21 ARG 36 1.488 -0.796 -0.796 274 2HH1 ARG 36 HH22 ARG 36 1.166 0.821 0.821 275 1HH2 ARG 36 HH11 ARG 36 2.973 2.307 2.307 276 2HH2 ARG 36 HH12 ARG 36 2.005 2.575 2.575 277 H LYS 37 HN LYS 37 6.208 -5.787 -5.787 278 HA LYS 37 HA LYS 37 4.916 -8.382 -8.382 279 1HB LYS 37 HB2 LYS 37 7.433 -9.104 -9.104 280 2HB LYS 37 HB1 LYS 37 7.022 -8.313 -8.313 281 1HG LYS 37 HG2 LYS 37 9.015 -7.302 -7.302 282 2HG LYS 37 HG1 LYS 37 7.698 -6.154 -6.154 283 1HD LYS 37 HD2 LYS 37 7.093 -6.200 -6.200 284 2HD LYS 37 HD1 LYS 37 7.955 -7.709 -7.709 285 1HE LYS 37 HE2 LYS 37 9.195 -5.817 -5.817 286 2HE LYS 37 HE1 LYS 37 10.094 -6.547 -6.547 287 1HZ LYS 37 HZ1 LYS 37 8.345 -4.545 -4.545 288 2HZ LYS 37 HZ3 LYS 37 9.335 -3.903 -3.903 289 3HZ LYS 37 HZ2 LYS 37 10.035 -4.649 -4.649 290 HA PRO 38 HA PRO 38 4.576 -9.492 -9.492 291 1HB PRO 38 HB2 PRO 38 5.239 -12.192 -12.192 292 2HB PRO 38 HB1 PRO 38 3.700 -11.522 -11.522 293 1HG PRO 38 HG2 PRO 38 5.891 -12.655 -12.655 294 2HG PRO 38 HG1 PRO 38 4.214 -12.337 -12.337 295 1HD PRO 38 HD2 PRO 38 6.548 -10.780 -10.780 296 2HD PRO 38 HD1 PRO 38 4.864 -10.441 -10.441 297 H LEU 39 HN LEU 39 7.143 -8.249 -8.249 298 HA LEU 39 HA LEU 39 8.682 -9.957 -9.957 299 1HB LEU 39 HB2 LEU 39 9.617 -9.651 -9.651 300 2HB LEU 39 HB1 LEU 39 10.161 -8.106 -8.106 301 HG LEU 39 HG LEU 39 11.977 -9.099 -9.099 302 1HD1 LEU 39 HD11 LEU 39 10.514 -9.581 -9.581 303 2HD1 LEU 39 HD13 LEU 39 10.290 -11.209 -11.209 304 3HD1 LEU 39 HD12 LEU 39 11.897 -10.648 -10.648 305 1HD2 LEU 39 HD22 LEU 39 10.757 -11.654 -11.654 306 2HD2 LEU 39 HD21 LEU 39 11.894 -10.597 -10.597 307 3HD2 LEU 39 HD23 LEU 39 12.416 -11.510 -11.510 308 H HIS 40 HN HIS 40 7.718 -6.746 -6.746 309 HA HIS 40 HA HIS 40 9.302 -5.272 -5.272 310 1HB HIS 40 HB2 HIS 40 8.306 -4.226 -4.226 311 2HB HIS 40 HB1 HIS 40 6.701 -4.466 -4.466 312 HD1 HIS 40 HD1 HIS 40 9.359 -2.029 -2.029 313 HD2 HIS 40 HD2 HIS 40 6.509 -3.087 -3.087 314 HE1 HIS 40 HE1 HIS 40 9.213 -0.088 -0.088 315 H TYR 41 HN TYR 41 5.920 -6.404 -6.404 316 HA TYR 41 HA TYR 41 5.273 -5.335 -5.335 317 1HB TYR 41 HB2 TYR 41 4.092 -7.785 -7.785 318 2HB TYR 41 HB1 TYR 41 3.326 -6.769 -6.769 319 HD1 TYR 41 HD1 TYR 41 4.694 -6.741 -6.741 320 HD2 TYR 41 HD2 TYR 41 2.154 -4.815 -4.815 321 HE1 TYR 41 HE1 TYR 41 3.853 -5.215 -5.215 322 HE2 TYR 41 HE2 TYR 41 1.311 -3.296 -3.296 323 HH TYR 41 HH TYR 41 2.579 -3.466 -3.466 324 H ALA 42 HN ALA 42 6.544 -8.406 -8.406 325 HA ALA 42 HA ALA 42 6.587 -9.708 -9.708 326 1HB ALA 42 HB3 ALA 42 6.817 -10.711 -10.711 327 2HB ALA 42 HB2 ALA 42 8.524 -10.310 -10.310 328 3HB ALA 42 HB1 ALA 42 7.757 -11.434 -11.434 329 H ALA 43 HN ALA 43 9.190 -8.358 -8.358 330 HA ALA 43 HA ALA 43 11.277 -8.490 -8.490 331 1HB ALA 43 HB2 ALA 43 10.709 -6.330 -6.330 332 2HB ALA 43 HB1 ALA 43 12.272 -6.607 -6.607 333 3HB ALA 43 HB3 ALA 43 11.584 -7.832 -7.832 334 H ASP 44 HN ASP 44 9.317 -5.571 -5.571 335 HA ASP 44 HA ASP 44 10.254 -4.008 -4.008 336 1HB ASP 44 HB2 ASP 44 7.512 -3.998 -3.998 337 2HB ASP 44 HB1 ASP 44 8.154 -2.715 -2.715 338 H CYS 45 HN CYS 45 7.609 -6.411 -6.411 339 HA CYS 45 HA CYS 45 7.813 -6.412 -6.412 340 1HB CYS 45 HB2 CYS 45 5.161 -5.750 -5.750 341 2HB CYS 45 HB1 CYS 45 5.516 -5.801 -5.801 342 HG CYS 45 HG CYS 45 5.659 -3.297 -3.297 343 H GLY 46 HN GLY 46 8.465 -8.571 -8.571 344 1HA GLY 46 HA2 GLY 46 5.992 -10.277 -10.277 345 2HA GLY 46 HA1 GLY 46 7.462 -10.607 -10.607 346 H GLN 47 HN GLN 47 7.589 -9.545 -9.545 347 HA GLN 47 HA GLN 47 8.583 -10.617 -10.617 348 1HB GLN 47 HB2 GLN 47 7.429 -13.225 -13.225 349 2HB GLN 47 HB1 GLN 47 7.563 -12.629 -12.629 350 1HG GLN 47 HG2 GLN 47 5.655 -11.629 -11.629 351 2HG GLN 47 HG1 GLN 47 5.236 -12.526 -12.526 352 1HE2 GLN 47 HE21 GLN 47 4.160 -9.903 -9.903 353 2HE2 GLN 47 HE22 GLN 47 4.734 -8.830 -8.830 354 H LEU 48 HN LEU 48 9.592 -10.818 -10.818 355 HA LEU 48 HA LEU 48 11.526 -11.483 -11.483 356 1HB LEU 48 HB2 LEU 48 12.264 -12.325 -12.325 357 2HB LEU 48 HB1 LEU 48 13.364 -12.357 -12.357 358 HG LEU 48 HG LEU 48 13.886 -10.235 -10.235 359 1HD1 LEU 48 HD12 LEU 48 12.462 -9.755 -9.755 360 2HD1 LEU 48 HD11 LEU 48 11.066 -9.585 -9.585 361 3HD1 LEU 48 HD13 LEU 48 12.403 -8.445 -8.445 362 1HD2 LEU 48 HD23 LEU 48 11.356 -10.234 -10.234 363 2HD2 LEU 48 HD22 LEU 48 13.008 -10.430 -10.430 364 3HD2 LEU 48 HD21 LEU 48 12.476 -8.873 -8.873 365 H GLU 49 HN GLU 49 9.334 -13.583 -13.583 366 HA GLU 49 HA GLU 49 10.780 -16.024 -16.024 367 1HB GLU 49 HB2 GLU 49 7.918 -15.768 -15.768 368 2HB GLU 49 HB1 GLU 49 8.890 -17.224 -17.224 369 1HG GLU 49 HG2 GLU 49 10.433 -16.180 -16.180 370 2HG GLU 49 HG1 GLU 49 9.282 -14.850 -14.850 371 H ILE 50 HN ILE 50 8.172 -13.916 -13.916 372 HA ILE 50 HA ILE 50 7.185 -15.473 -15.473 373 HB ILE 50 HB ILE 50 7.106 -12.479 -12.479 374 1HG1 ILE 50 HG12 ILE 50 5.885 -14.675 -14.675 375 2HG1 ILE 50 HG11 ILE 50 6.008 -12.970 -12.970 376 1HG2 ILE 50 HG23 ILE 50 6.426 -13.724 -13.724 377 2HG2 ILE 50 HG22 ILE 50 4.985 -14.165 -14.165 378 3HG2 ILE 50 HG21 ILE 50 5.383 -12.468 -12.468 379 1HD1 ILE 50 HD13 ILE 50 3.998 -13.869 -13.869 380 2HD1 ILE 50 HD12 ILE 50 3.656 -14.046 -14.046 381 3HD1 ILE 50 HD11 ILE 50 3.977 -12.450 -12.450 382 H LEU 51 HN LEU 51 9.404 -12.653 -12.653 383 HA LEU 51 HA LEU 51 9.797 -12.606 -12.606 384 1HB LEU 51 HB2 LEU 51 12.384 -12.180 -12.180 385 2HB LEU 51 HB1 LEU 51 11.151 -10.938 -10.938 386 HG LEU 51 HG LEU 51 12.373 -10.820 -10.820 387 1HD1 LEU 51 HD11 LEU 51 9.589 -10.963 -10.963 388 2HD1 LEU 51 HD13 LEU 51 9.991 -11.900 -11.900 389 3HD1 LEU 51 HD12 LEU 51 10.532 -10.228 -10.228 390 1HD2 LEU 51 HD21 LEU 51 12.839 -13.380 -13.380 391 2HD2 LEU 51 HD23 LEU 51 12.717 -12.589 -12.589 392 3HD2 LEU 51 HD22 LEU 51 11.345 -13.508 -13.508 393 H GLU 52 HN GLU 52 11.688 -14.679 -14.679 394 HA GLU 52 HA GLU 52 13.208 -16.007 -16.007 395 1HB GLU 52 HB2 GLU 52 12.084 -17.561 -17.561 396 2HB GLU 52 HB1 GLU 52 13.671 -17.677 -17.677 397 1HG GLU 52 HG2 GLU 52 14.313 -15.519 -15.519 398 2HG GLU 52 HG1 GLU 52 12.703 -15.355 -15.355 399 H PHE 53 HN PHE 53 9.913 -16.629 -16.629 400 HA PHE 53 HA PHE 53 9.512 -19.141 -19.141 401 1HB PHE 53 HB2 PHE 53 7.915 -18.195 -18.195 402 2HB PHE 53 HB1 PHE 53 7.535 -16.898 -16.898 403 HD1 PHE 53 HD1 PHE 53 7.823 -20.639 -20.639 404 HD2 PHE 53 HD2 PHE 53 5.595 -17.169 -17.169 405 HE1 PHE 53 HE1 PHE 53 6.165 -22.095 -22.095 406 HE2 PHE 53 HE2 PHE 53 3.934 -18.616 -18.616 407 HZ PHE 53 HZ PHE 53 4.221 -21.092 -21.092 408 H LEU 54 HN LEU 54 7.725 -16.434 -16.434 409 HA LEU 54 HA LEU 54 7.449 -17.709 -17.709 410 1HB LEU 54 HB2 LEU 54 6.821 -15.576 -15.576 411 2HB LEU 54 HB1 LEU 54 6.111 -15.753 -15.753 412 HG LEU 54 HG LEU 54 6.844 -13.580 -13.580 413 1HD1 LEU 54 HD11 LEU 54 9.387 -15.072 -15.072 414 2HD1 LEU 54 HD13 LEU 54 8.995 -13.427 -13.427 415 3HD1 LEU 54 HD12 LEU 54 8.023 -14.763 -14.763 416 1HD2 LEU 54 HD22 LEU 54 7.775 -13.626 -13.626 417 2HD2 LEU 54 HD21 LEU 54 8.688 -12.617 -12.617 418 3HD2 LEU 54 HD23 LEU 54 9.296 -14.210 -14.210 419 H LEU 55 HN LEU 55 10.334 -16.774 -16.774 420 HA LEU 55 HA LEU 55 11.608 -16.086 -16.086 421 1HB LEU 55 HB2 LEU 55 12.186 -15.173 -15.173 422 2HB LEU 55 HB1 LEU 55 13.128 -16.653 -16.653 423 HG LEU 55 HG LEU 55 13.396 -14.630 -14.630 424 1HD1 LEU 55 HD11 LEU 55 14.773 -14.971 -14.971 425 2HD1 LEU 55 HD13 LEU 55 15.692 -14.356 -14.356 426 3HD1 LEU 55 HD12 LEU 55 14.266 -13.486 -13.486 427 1HD2 LEU 55 HD23 LEU 55 14.729 -17.235 -17.235 428 2HD2 LEU 55 HD22 LEU 55 14.236 -16.626 -16.626 429 3HD2 LEU 55 HD21 LEU 55 15.676 -15.978 -15.978 430 H LEU 56 HN LEU 56 11.398 -18.766 -18.766 431 HA LEU 56 HA LEU 56 13.376 -20.476 -20.476 432 1HB LEU 56 HB2 LEU 56 10.708 -21.566 -21.566 433 2HB LEU 56 HB1 LEU 56 12.307 -22.260 -22.260 434 HG LEU 56 HG LEU 56 11.142 -19.856 -19.856 435 1HD1 LEU 56 HD13 LEU 56 12.067 -22.586 -22.586 436 2HD1 LEU 56 HD12 LEU 56 11.561 -21.282 -21.282 437 3HD1 LEU 56 HD11 LEU 56 10.402 -22.005 -22.005 438 1HD2 LEU 56 HD21 LEU 56 13.942 -21.009 -21.009 439 2HD2 LEU 56 HD23 LEU 56 13.465 -19.360 -19.360 440 3HD2 LEU 56 HD22 LEU 56 13.360 -19.927 -19.927 441 H LYS 57 HN LYS 57 9.965 -20.128 -20.128 442 HA LYS 57 HA LYS 57 9.996 -22.023 -22.023 443 1HB LYS 57 HB2 LYS 57 8.238 -19.689 -19.689 444 2HB LYS 57 HB1 LYS 57 8.027 -20.473 -20.473 445 1HG LYS 57 HG2 LYS 57 6.528 -21.540 -21.540 446 2HG LYS 57 HG1 LYS 57 7.831 -22.674 -22.674 447 1HD LYS 57 HD2 LYS 57 8.956 -22.141 -22.141 448 2HD LYS 57 HD1 LYS 57 7.832 -20.821 -20.821 449 1HE LYS 57 HE2 LYS 57 7.173 -23.780 -23.780 450 2HE LYS 57 HE1 LYS 57 7.174 -22.745 -22.745 451 1HZ LYS 57 HZ3 LYS 57 5.456 -21.379 -21.379 452 2HZ LYS 57 HZ2 LYS 57 5.348 -22.620 -22.620 453 3HZ LYS 57 HZ1 LYS 57 4.947 -22.928 -22.928 454 H GLY 58 HN GLY 58 9.014 -19.014 -19.014 455 1HA GLY 58 HA2 GLY 58 11.008 -19.061 -19.061 456 2HA GLY 58 HA1 GLY 58 9.899 -17.720 -17.720 457 H ALA 59 HN ALA 59 11.050 -15.868 -15.868 458 HA ALA 59 HA ALA 59 12.691 -15.616 -15.616 459 1HB ALA 59 HB2 ALA 59 14.178 -16.449 -16.449 460 2HB ALA 59 HB1 ALA 59 14.950 -15.346 -15.346 461 3HB ALA 59 HB3 ALA 59 14.433 -16.943 -16.943 462 H ASP 60 HN ASP 60 11.261 -13.709 -13.709 463 HA ASP 60 HA ASP 60 11.788 -11.730 -11.730 464 1HB ASP 60 HB2 ASP 60 9.609 -11.786 -11.786 465 2HB ASP 60 HB1 ASP 60 10.375 -11.535 -11.535 466 H ILE 61 HN ILE 61 13.684 -12.967 -12.967 467 HA ILE 61 HA ILE 61 14.793 -10.926 -10.926 468 HB ILE 61 HB ILE 61 15.273 -13.424 -13.424 469 1HG1 ILE 61 HG12 ILE 61 17.520 -11.396 -11.396 470 2HG1 ILE 61 HG11 ILE 61 16.666 -12.087 -12.087 471 1HG2 ILE 61 HG21 ILE 61 15.760 -13.262 -13.262 472 2HG2 ILE 61 HG23 ILE 61 17.392 -12.857 -12.857 473 3HG2 ILE 61 HG22 ILE 61 16.674 -14.401 -14.401 474 1HD1 ILE 61 HD13 ILE 61 17.573 -14.368 -14.368 475 2HD1 ILE 61 HD12 ILE 61 18.725 -13.379 -13.379 476 3HD1 ILE 61 HD11 ILE 61 18.678 -13.299 -13.299 477 H ASN 62 HN ASN 62 15.020 -11.524 -11.524 478 HA ASN 62 HA ASN 62 16.736 -9.131 -9.131 479 1HB ASN 62 HB2 ASN 62 18.167 -10.289 -10.289 480 2HB ASN 62 HB1 ASN 62 18.250 -11.086 -11.086 481 1HD2 ASN 62 HD21 ASN 62 15.526 -12.318 -12.318 482 2HD2 ASN 62 HD22 ASN 62 15.733 -13.580 -13.580 483 H ALA 63 HN ALA 63 14.604 -11.498 -11.498 484 HA ALA 63 HA ALA 63 14.057 -11.008 -11.008 485 1HB ALA 63 HB2 ALA 63 12.561 -12.118 -12.118 486 2HB ALA 63 HB1 ALA 63 11.766 -10.550 -10.550 487 3HB ALA 63 HB3 ALA 63 11.785 -11.396 -11.396 488 HA PRO 64 HA PRO 64 11.641 -6.629 -6.629 489 1HB PRO 64 HB2 PRO 64 14.429 -5.893 -5.893 490 2HB PRO 64 HB1 PRO 64 12.881 -5.262 -5.262 491 1HG PRO 64 HG2 PRO 64 14.387 -7.355 -7.355 492 2HG PRO 64 HG1 PRO 64 12.711 -6.937 -6.937 493 1HD PRO 64 HD2 PRO 64 13.546 -9.366 -9.366 494 2HD PRO 64 HD1 PRO 64 11.882 -8.738 -8.738 495 H ASP 65 HN ASP 65 11.332 -5.562 -5.562 496 HA ASP 65 HA ASP 65 13.532 -5.033 -5.033 497 1HB ASP 65 HB2 ASP 65 10.773 -6.168 -6.168 498 2HB ASP 65 HB1 ASP 65 11.767 -5.457 -5.457 499 H LYS 66 HN LYS 66 10.114 -4.326 -4.326 500 HA LYS 66 HA LYS 66 10.325 -1.623 -1.623 501 1HB LYS 66 HB2 LYS 66 8.267 -3.227 -3.227 502 2HB LYS 66 HB1 LYS 66 8.031 -2.677 -2.677 503 1HG LYS 66 HG2 LYS 66 6.810 -1.094 -1.094 504 2HG LYS 66 HG1 LYS 66 8.368 -0.288 -0.288 505 1HD LYS 66 HD2 LYS 66 8.791 -1.492 -1.492 506 2HD LYS 66 HD1 LYS 66 7.045 -1.737 -1.737 507 1HE LYS 66 HE2 LYS 66 8.510 0.909 0.909 508 2HE LYS 66 HE1 LYS 66 7.528 0.315 0.315 509 1HZ LYS 66 HZ2 LYS 66 6.508 0.835 0.835 510 2HZ LYS 66 HZ1 LYS 66 6.347 1.907 1.907 511 3HZ LYS 66 HZ3 LYS 66 5.586 0.392 0.392 512 H HIS 67 HN HIS 67 10.508 -3.282 -3.282 513 HA HIS 67 HA HIS 67 10.307 -0.865 -0.865 514 1HB HIS 67 HB2 HIS 67 11.495 -3.427 -3.427 515 2HB HIS 67 HB1 HIS 67 10.389 -2.318 -2.318 516 HD1 HIS 67 HD1 HIS 67 7.975 -2.959 -2.959 517 HD2 HIS 67 HD2 HIS 67 10.118 -4.970 -4.970 518 HE1 HIS 67 HE1 HIS 67 6.371 -4.616 -4.616 519 H HIS 68 HN HIS 68 12.589 -2.347 -2.347 520 HA HIS 68 HA HIS 68 14.942 -2.280 -2.280 521 1HB HIS 68 HB2 HIS 68 15.757 0.087 0.087 522 2HB HIS 68 HB1 HIS 68 14.333 -0.120 -0.120 523 HD1 HIS 68 HD1 HIS 68 15.300 1.047 1.047 524 HD2 HIS 68 HD2 HIS 68 12.088 1.315 1.315 525 HE1 HIS 68 HE1 HIS 68 13.661 2.683 2.683 526 H ILE 69 HN ILE 69 14.145 -3.220 -3.220 527 HA ILE 69 HA ILE 69 16.594 -2.363 -2.363 528 HB ILE 69 HB ILE 69 14.160 -1.121 -1.121 529 1HG1 ILE 69 HG12 ILE 69 16.441 -0.176 -0.176 530 2HG1 ILE 69 HG11 ILE 69 15.581 -0.030 -0.030 531 1HG2 ILE 69 HG21 ILE 69 13.668 -3.214 -3.214 532 2HG2 ILE 69 HG23 ILE 69 15.159 -2.951 -2.951 533 3HG2 ILE 69 HG22 ILE 69 13.846 -1.787 -1.787 534 1HD1 ILE 69 HD11 ILE 69 16.751 -2.301 -2.301 535 2HD1 ILE 69 HD13 ILE 69 17.853 -1.879 -1.879 536 3HD1 ILE 69 HD12 ILE 69 17.689 -0.815 -0.815 537 H THR 70 HN THR 70 17.126 -3.496 -3.496 538 HA THR 70 HA THR 70 16.211 -6.308 -6.308 539 HB THR 70 HB THR 70 18.437 -6.783 -6.783 540 HG1 THR 70 HG1 THR 70 18.185 -4.695 -4.695 541 1HG2 THR 70 HG23 THR 70 18.228 -5.084 -5.084 542 2HG2 THR 70 HG22 THR 70 18.861 -3.888 -3.888 543 3HG2 THR 70 HG21 THR 70 19.847 -5.281 -5.281 544 HA PRO 71 HA PRO 71 14.073 -4.442 -4.442 545 1HB PRO 71 HB2 PRO 71 13.194 -7.167 -7.167 546 2HB PRO 71 HB1 PRO 71 12.220 -5.760 -5.760 547 1HG PRO 71 HG2 PRO 71 12.667 -7.945 -7.945 548 2HG PRO 71 HG1 PRO 71 12.239 -6.327 -6.327 549 1HD PRO 71 HD2 PRO 71 14.863 -7.706 -7.706 550 2HD PRO 71 HD1 PRO 71 14.243 -6.379 -6.379 551 H LEU 72 HN LEU 72 16.646 -6.684 -6.684 552 HA LEU 72 HA LEU 72 16.676 -7.198 -7.198 553 1HB LEU 72 HB2 LEU 72 19.279 -6.470 -6.470 554 2HB LEU 72 HB1 LEU 72 18.890 -7.842 -7.842 555 HG LEU 72 HG LEU 72 19.241 -8.818 -8.818 556 1HD1 LEU 72 HD11 LEU 72 16.813 -9.076 -9.076 557 2HD1 LEU 72 HD13 LEU 72 16.324 -8.431 -8.431 558 3HD1 LEU 72 HD12 LEU 72 17.271 -9.913 -9.913 559 1HD2 LEU 72 HD22 LEU 72 18.279 -6.246 -6.246 560 2HD2 LEU 72 HD21 LEU 72 19.330 -7.414 -7.414 561 3HD2 LEU 72 HD23 LEU 72 17.576 -7.589 -7.589 562 H LEU 73 HN LEU 73 17.366 -4.396 -4.396 563 HA LEU 73 HA LEU 73 18.446 -2.732 -2.732 564 1HB LEU 73 HB2 LEU 73 17.174 -2.104 -2.104 565 2HB LEU 73 HB1 LEU 73 17.792 -0.865 -0.865 566 HG LEU 73 HG LEU 73 19.987 -2.362 -2.362 567 1HD1 LEU 73 HD13 LEU 73 18.640 -2.984 -2.984 568 2HD1 LEU 73 HD12 LEU 73 20.305 -3.390 -3.390 569 3HD1 LEU 73 HD11 LEU 73 18.964 -4.147 -4.147 570 1HD2 LEU 73 HD23 LEU 73 18.966 -0.339 -0.339 571 2HD2 LEU 73 HD22 LEU 73 20.206 -0.158 -0.158 572 3HD2 LEU 73 HD21 LEU 73 20.560 -1.055 -1.055 573 H SER 74 HN SER 74 15.302 -3.759 -3.759 574 HA SER 74 HA SER 74 13.732 -1.647 -1.647 575 1HB SER 74 HB2 SER 74 12.925 -3.596 -3.596 576 2HB SER 74 HB1 SER 74 12.949 -4.567 -4.567 577 HG SER 74 HG SER 74 11.276 -2.476 -2.476 578 H ALA 75 HN ALA 75 14.897 -4.619 -4.619 579 HA ALA 75 HA ALA 75 13.737 -3.958 -3.958 580 1HB ALA 75 HB3 ALA 75 15.909 -5.889 -5.889 581 2HB ALA 75 HB2 ALA 75 15.355 -5.732 -5.732 582 3HB ALA 75 HB1 ALA 75 14.234 -6.257 -6.257 583 H VAL 76 HN VAL 76 16.823 -3.310 -3.310 584 HA VAL 76 HA VAL 76 18.468 -2.563 -2.563 585 HB VAL 76 HB VAL 76 18.025 -1.301 -1.301 586 1HG1 VAL 76 HG12 VAL 76 19.151 0.179 0.179 587 2HG1 VAL 76 HG11 VAL 76 20.549 -0.813 -0.813 588 3HG1 VAL 76 HG13 VAL 76 19.771 0.171 0.171 589 1HG2 VAL 76 HG23 VAL 76 20.159 -3.123 -3.123 590 2HG2 VAL 76 HG22 VAL 76 18.869 -3.612 -3.612 591 3HG2 VAL 76 HG21 VAL 76 20.135 -2.521 -2.521 592 H TYR 77 HN TYR 77 16.374 -0.124 -0.124 593 HA TYR 77 HA TYR 77 16.557 1.659 1.659 594 1HB TYR 77 HB2 TYR 77 14.389 2.032 2.032 595 2HB TYR 77 HB1 TYR 77 15.527 3.211 3.211 596 HD1 TYR 77 HD2 TYR 77 17.868 3.309 3.309 597 HD2 TYR 77 HD1 TYR 77 14.895 0.748 0.748 598 HE1 TYR 77 HE2 TYR 77 19.270 3.058 3.058 599 HE2 TYR 77 HE1 TYR 77 16.301 0.500 0.500 600 HH TYR 77 HH TYR 77 18.973 0.708 0.708 601 H GLU 78 HN GLU 78 15.606 -0.802 -0.802 602 HA GLU 78 HA GLU 78 12.774 -0.116 -0.116 603 1HB GLU 78 HB2 GLU 78 13.159 -2.078 -2.078 604 2HB GLU 78 HB1 GLU 78 13.685 -2.976 -2.976 605 1HG GLU 78 HG2 GLU 78 11.373 -3.436 -3.436 606 2HG GLU 78 HG1 GLU 78 11.482 -2.151 -2.151 607 H GLY 79 HN GLY 79 15.903 -1.188 -1.188 608 1HA GLY 79 HA2 GLY 79 16.692 -1.312 -1.312 609 2HA GLY 79 HA1 GLY 79 15.041 -1.000 -1.000 610 H HIS 80 HN HIS 80 14.601 -3.267 -3.267 611 HA HIS 80 HA HIS 80 14.326 -5.425 -5.425 612 1HB HIS 80 HB2 HIS 80 13.651 -5.004 -5.004 613 2HB HIS 80 HB1 HIS 80 13.782 -6.666 -6.666 614 HD1 HIS 80 HD1 HIS 80 11.546 -7.541 -7.541 615 HD2 HIS 80 HD2 HIS 80 11.902 -3.475 -3.475 616 HE1 HIS 80 HE1 HIS 80 9.345 -6.834 -6.834 617 H VAL 81 HN VAL 81 15.939 -5.197 -5.197 618 HA VAL 81 HA VAL 81 17.681 -6.521 -6.521 619 HB VAL 81 HB VAL 81 19.802 -5.971 -5.971 620 1HG1 VAL 81 HG12 VAL 81 19.070 -4.982 -4.982 621 2HG1 VAL 81 HG11 VAL 81 18.177 -3.763 -3.763 622 3HG1 VAL 81 HG13 VAL 81 19.935 -3.854 -3.854 623 1HG2 VAL 81 HG22 VAL 81 18.405 -5.300 -5.300 624 2HG2 VAL 81 HG21 VAL 81 19.439 -3.992 -3.992 625 3HG2 VAL 81 HG23 VAL 81 17.720 -3.991 -3.991 626 H SER 82 HN SER 82 15.978 -7.811 -7.811 627 HA SER 82 HA SER 82 17.850 -9.789 -9.789 628 1HB SER 82 HB2 SER 82 14.972 -9.116 -9.116 629 2HB SER 82 HB1 SER 82 15.316 -10.843 -10.843 630 HG SER 82 HG SER 82 17.165 -9.706 -9.706 631 H CYS 83 HN CYS 83 15.930 -9.110 -9.110 632 HA CYS 83 HA CYS 83 15.780 -11.829 -11.829 633 1HB CYS 83 HB2 CYS 83 15.137 -10.190 -10.190 634 2HB CYS 83 HB1 CYS 83 13.986 -10.673 -10.673 635 HG CYS 83 HG CYS 83 15.395 -7.901 -7.901 636 H VAL 84 HN VAL 84 17.365 -8.767 -8.767 637 HA VAL 84 HA VAL 84 18.900 -9.558 -9.558 638 HB VAL 84 HB VAL 84 20.726 -8.101 -8.101 639 1HG1 VAL 84 HG11 VAL 84 18.630 -7.164 -7.164 640 2HG1 VAL 84 HG13 VAL 84 18.000 -6.931 -6.931 641 3HG1 VAL 84 HG12 VAL 84 19.441 -6.059 -6.059 642 1HG2 VAL 84 HG23 VAL 84 19.155 -8.395 -8.395 643 2HG2 VAL 84 HG22 VAL 84 20.898 -8.513 -8.513 644 3HG2 VAL 84 HG21 VAL 84 20.105 -6.938 -6.938 645 H LYS 85 HN LYS 85 19.620 -10.247 -10.247 646 HA LYS 85 HA LYS 85 22.068 -11.528 -11.528 647 1HB LYS 85 HB2 LYS 85 20.028 -11.283 -11.283 648 2HB LYS 85 HB1 LYS 85 20.365 -13.003 -13.003 649 1HG LYS 85 HG2 LYS 85 21.903 -12.241 -12.241 650 2HG LYS 85 HG1 LYS 85 22.863 -12.325 -12.325 651 1HD LYS 85 HD2 LYS 85 22.358 -9.878 -9.878 652 2HD LYS 85 HD1 LYS 85 21.617 -9.852 -9.852 653 1HE LYS 85 HE2 LYS 85 24.507 -10.321 -10.321 654 2HE LYS 85 HE1 LYS 85 23.832 -9.145 -9.145 655 1HZ LYS 85 HZ3 LYS 85 23.716 -12.086 -12.086 656 2HZ LYS 85 HZ2 LYS 85 24.877 -11.073 -11.073 657 3HZ LYS 85 HZ1 LYS 85 23.234 -10.899 -10.899 658 H LEU 86 HN LEU 86 19.134 -13.541 -13.541 659 HA LEU 86 HA LEU 86 20.388 -15.787 -15.787 660 1HB LEU 86 HB2 LEU 86 18.585 -16.991 -16.991 661 2HB LEU 86 HB1 LEU 86 18.300 -15.572 -15.572 662 HG LEU 86 HG LEU 86 16.235 -16.132 -16.132 663 1HD1 LEU 86 HD13 LEU 86 17.223 -13.661 -13.661 664 2HD1 LEU 86 HD12 LEU 86 16.976 -14.011 -14.011 665 3HD1 LEU 86 HD11 LEU 86 15.622 -14.097 -14.097 666 1HD2 LEU 86 HD22 LEU 86 17.727 -17.239 -17.239 667 2HD2 LEU 86 HD21 LEU 86 15.973 -17.084 -17.084 668 3HD2 LEU 86 HD23 LEU 86 16.950 -15.859 -15.859 669 H LEU 87 HN LEU 87 19.321 -13.010 -13.010 670 HA LEU 87 HA LEU 87 18.120 -14.171 -14.171 671 1HB LEU 87 HB2 LEU 87 18.434 -11.585 -11.585 672 2HB LEU 87 HB1 LEU 87 19.227 -11.548 -11.548 673 HG LEU 87 HG LEU 87 16.459 -12.694 -12.694 674 1HD1 LEU 87 HD11 LEU 87 17.348 -9.875 -9.875 675 2HD1 LEU 87 HD13 LEU 87 15.776 -10.472 -10.472 676 3HD1 LEU 87 HD12 LEU 87 16.168 -10.435 -10.435 677 1HD2 LEU 87 HD23 LEU 87 17.956 -13.240 -13.240 678 2HD2 LEU 87 HD22 LEU 87 16.319 -12.664 -12.664 679 3HD2 LEU 87 HD21 LEU 87 17.686 -11.560 -11.560 680 H LEU 88 HN LEU 88 21.249 -12.292 -12.292 681 HA LEU 88 HA LEU 88 22.098 -13.233 -13.233 682 1HB LEU 88 HB2 LEU 88 24.345 -12.632 -12.632 683 2HB LEU 88 HB1 LEU 88 23.314 -11.431 -11.431 684 HG LEU 88 HG LEU 88 24.998 -11.959 -11.959 685 1HD1 LEU 88 HD11 LEU 88 22.601 -11.967 -11.967 686 2HD1 LEU 88 HD13 LEU 88 22.695 -13.726 -13.726 687 3HD1 LEU 88 HD12 LEU 88 23.756 -12.789 -12.789 688 1HD2 LEU 88 HD21 LEU 88 25.277 -14.348 -14.348 689 2HD2 LEU 88 HD23 LEU 88 26.012 -13.977 -13.977 690 3HD2 LEU 88 HD22 LEU 88 24.497 -14.873 -14.873 691 H SER 89 HN SER 89 21.612 -15.005 -15.005 692 HA SER 89 HA SER 89 23.549 -17.071 -17.071 693 1HB SER 89 HB2 SER 89 21.620 -16.698 -16.698 694 2HB SER 89 HB1 SER 89 20.681 -17.700 -17.700 695 HG SER 89 HG SER 89 23.163 -18.338 -18.338 696 H LYS 90 HN LYS 90 20.963 -16.061 -16.061 697 HA LYS 90 HA LYS 90 21.017 -18.579 -18.579 698 1HB LYS 90 HB2 LYS 90 19.055 -16.273 -16.273 699 2HB LYS 90 HB1 LYS 90 18.996 -17.483 -17.483 700 1HG LYS 90 HG2 LYS 90 18.636 -19.251 -19.251 701 2HG LYS 90 HG1 LYS 90 18.930 -18.174 -18.174 702 1HD LYS 90 HD2 LYS 90 16.797 -17.278 -17.278 703 2HD LYS 90 HD1 LYS 90 16.433 -18.759 -18.759 704 1HE LYS 90 HE2 LYS 90 17.379 -16.177 -16.177 705 2HE LYS 90 HE1 LYS 90 15.700 -16.714 -16.714 706 1HZ LYS 90 HZ3 LYS 90 17.134 -18.861 -18.861 707 2HZ LYS 90 HZ2 LYS 90 17.779 -17.511 -17.511 708 3HZ LYS 90 HZ1 LYS 90 16.114 -17.839 -17.839 709 H GLY 91 HN GLY 91 22.037 -15.328 -15.328 710 1HA GLY 91 HA2 GLY 91 23.894 -14.957 -14.957 711 2HA GLY 91 HA1 GLY 91 22.581 -15.227 -15.227 712 H ALA 92 HN ALA 92 20.848 -13.682 -13.682 713 HA ALA 92 HA ALA 92 20.070 -11.475 -11.475 714 1HB ALA 92 HB2 ALA 92 20.465 -12.206 -12.206 715 2HB ALA 92 HB1 ALA 92 20.861 -10.496 -10.496 716 3HB ALA 92 HB3 ALA 92 19.274 -11.092 -11.092 717 H ASP 93 HN ASP 93 23.351 -12.054 -12.054 718 HA ASP 93 HA ASP 93 25.242 -10.594 -10.594 719 1HB ASP 93 HB2 ASP 93 24.049 -10.617 -10.617 720 2HB ASP 93 HB1 ASP 93 23.460 -9.015 -9.015 721 H LYS 94 HN LYS 94 24.343 -7.651 -7.651 722 HA LYS 94 HA LYS 94 23.150 -6.629 -6.629 723 1HB LYS 94 HB2 LYS 94 25.411 -7.144 -7.144 724 2HB LYS 94 HB1 LYS 94 26.108 -6.129 -6.129 725 1HG LYS 94 HG2 LYS 94 25.987 -4.825 -4.825 726 2HG LYS 94 HG1 LYS 94 24.795 -4.211 -4.211 727 1HD LYS 94 HD2 LYS 94 23.774 -6.357 -6.357 728 2HD LYS 94 HD1 LYS 94 24.238 -4.887 -4.887 729 1HE LYS 94 HE2 LYS 94 22.837 -3.887 -3.887 730 2HE LYS 94 HE1 LYS 94 21.949 -5.360 -5.360 731 1HZ LYS 94 HZ2 LYS 94 22.656 -3.943 -3.943 732 2HZ LYS 94 HZ1 LYS 94 21.779 -2.952 -2.952 733 3HZ LYS 94 HZ3 LYS 94 21.124 -4.430 -4.430 734 H THR 95 HN THR 95 25.154 -5.882 -5.882 735 HA THR 95 HA THR 95 23.503 -3.399 -3.399 736 HB THR 95 HB THR 95 25.544 -2.574 -2.574 737 HG1 THR 95 HG1 THR 95 26.889 -4.476 -4.476 738 1HG2 THR 95 HG23 THR 95 25.636 -3.010 -3.010 739 2HG2 THR 95 HG22 THR 95 26.747 -1.944 -1.944 740 3HG2 THR 95 HG21 THR 95 25.017 -1.600 -1.600 741 H VAL 96 HN VAL 96 22.590 -5.816 -5.816 742 HA VAL 96 HA VAL 96 23.458 -6.171 -6.171 743 HB VAL 96 HB VAL 96 21.495 -7.451 -7.451 744 1HG1 VAL 96 HG11 VAL 96 21.290 -7.527 -7.527 745 2HG1 VAL 96 HG13 VAL 96 20.616 -8.784 -8.784 746 3HG1 VAL 96 HG12 VAL 96 20.019 -7.129 -7.129 747 1HG2 VAL 96 HG21 VAL 96 23.907 -8.179 -8.179 748 2HG2 VAL 96 HG23 VAL 96 22.672 -9.431 -9.431 749 3HG2 VAL 96 HG22 VAL 96 23.326 -8.678 -8.678 750 H LYS 97 HN LYS 97 21.307 -4.029 -4.029 751 HA LYS 97 HA LYS 97 20.524 -2.926 -2.926 752 1HB LYS 97 HB2 LYS 97 18.882 -4.958 -4.958 753 2HB LYS 97 HB1 LYS 97 18.015 -3.479 -3.479 754 1HG LYS 97 HG2 LYS 97 18.162 -2.699 -2.699 755 2HG LYS 97 HG1 LYS 97 19.148 -4.093 -4.093 756 1HD LYS 97 HD2 LYS 97 17.239 -5.572 -5.572 757 2HD LYS 97 HD1 LYS 97 16.260 -4.120 -4.120 758 1HE LYS 97 HE2 LYS 97 17.450 -5.224 -5.224 759 2HE LYS 97 HE1 LYS 97 15.760 -4.863 -4.863 760 1HZ LYS 97 HZ2 LYS 97 17.887 -2.799 -2.799 761 2HZ LYS 97 HZ1 LYS 97 16.915 -3.200 -3.200 762 3HZ LYS 97 HZ3 LYS 97 16.207 -2.554 -2.554 763 H GLY 98 HN GLY 98 21.202 -2.399 -2.399 764 1HA GLY 98 HA2 GLY 98 19.332 -0.237 -0.237 765 2HA GLY 98 HA1 GLY 98 20.869 -0.516 -0.516 766 HA PRO 99 HA PRO 99 21.076 3.145 3.145 767 1HB PRO 99 HB2 PRO 99 22.361 4.592 4.592 768 2HB PRO 99 HB1 PRO 99 20.819 4.960 4.960 769 1HG PRO 99 HG2 PRO 99 21.291 3.757 3.757 770 2HG PRO 99 HG1 PRO 99 19.769 4.350 4.350 771 1HD PRO 99 HD2 PRO 99 20.436 1.642 1.642 772 2HD PRO 99 HD1 PRO 99 19.116 2.230 2.230 773 H ASP 100 HN ASP 100 23.434 3.045 3.045 774 HA ASP 100 HA ASP 100 25.376 1.689 1.689 775 1HB ASP 100 HB2 ASP 100 25.519 4.222 4.222 776 2HB ASP 100 HB1 ASP 100 26.094 4.323 4.323 777 H GLY 101 HN GLY 101 27.317 3.018 3.018 778 1HA GLY 101 HA2 GLY 101 27.575 0.762 0.762 779 2HA GLY 101 HA1 GLY 101 28.317 2.333 2.333 780 H LEU 102 HN LEU 102 25.027 2.850 2.850 781 HA LEU 102 HA LEU 102 24.584 3.649 3.649 782 1HB LEU 102 HB2 LEU 102 23.027 4.082 4.082 783 2HB LEU 102 HB1 LEU 102 22.445 2.433 2.433 784 HG LEU 102 HG LEU 102 22.278 4.647 4.647 785 1HD1 LEU 102 HD11 LEU 102 20.209 3.223 3.223 786 2HD1 LEU 102 HD13 LEU 102 19.829 4.289 4.289 787 3HD1 LEU 102 HD12 LEU 102 20.643 4.932 4.932 788 1HD2 LEU 102 HD23 LEU 102 21.619 1.700 1.700 789 2HD2 LEU 102 HD22 LEU 102 22.502 2.678 2.678 790 3HD2 LEU 102 HD21 LEU 102 20.758 2.861 2.861 791 H THR 103 HN THR 103 23.067 0.732 0.732 792 HA THR 103 HA THR 103 22.223 -1.014 -1.014 793 HB THR 103 HB THR 103 24.020 -2.145 -2.145 794 HG1 THR 103 HG1 THR 103 25.256 -2.859 -2.859 795 1HG2 THR 103 HG23 THR 103 25.814 -0.328 -0.328 796 2HG2 THR 103 HG22 THR 103 26.401 -1.698 -1.698 797 3HG2 THR 103 HG21 THR 103 25.623 -0.338 -0.338 798 H ALA 104 HN ALA 104 24.909 -1.249 -1.249 799 HA ALA 104 HA ALA 104 23.347 -0.245 -0.245 800 1HB ALA 104 HB2 ALA 104 25.844 -1.923 -1.923 801 2HB ALA 104 HB1 ALA 104 25.272 -1.304 -1.304 802 3HB ALA 104 HB3 ALA 104 24.265 -2.409 -2.409 803 H LEU 105 HN LEU 105 26.271 0.586 0.586 804 HA LEU 105 HA LEU 105 27.622 2.158 2.158 805 1HB LEU 105 HB2 LEU 105 27.353 2.955 2.955 806 2HB LEU 105 HB1 LEU 105 28.726 3.175 3.175 807 HG LEU 105 HG LEU 105 27.707 0.575 0.575 808 1HD1 LEU 105 HD12 LEU 105 30.276 2.154 2.154 809 2HD1 LEU 105 HD11 LEU 105 30.076 0.510 0.510 810 3HD1 LEU 105 HD13 LEU 105 29.099 1.821 1.821 811 1HD2 LEU 105 HD21 LEU 105 29.723 1.117 1.117 812 2HD2 LEU 105 HD23 LEU 105 28.335 0.028 0.028 813 3HD2 LEU 105 HD22 LEU 105 29.739 -0.373 -0.373 814 H GLU 106 HN GLU 106 25.666 3.709 3.709 815 HA GLU 106 HA GLU 106 25.497 6.105 6.105 816 1HB GLU 106 HB2 GLU 106 24.000 5.487 5.487 817 2HB GLU 106 HB1 GLU 106 24.399 7.076 7.076 818 1HG GLU 106 HG2 GLU 106 26.513 5.052 5.052 819 2HG GLU 106 HG1 GLU 106 25.889 6.244 6.244 820 H ALA 107 HN ALA 107 23.855 3.293 3.293 821 HA ALA 107 HA ALA 107 21.144 4.323 4.323 822 1HB ALA 107 HB2 ALA 107 22.442 1.773 1.773 823 2HB ALA 107 HB1 ALA 107 20.753 2.140 2.140 824 3HB ALA 107 HB3 ALA 107 21.296 1.998 1.998 825 H THR 108 HN THR 108 23.543 3.437 3.437 826 HA THR 108 HA THR 108 22.240 5.449 5.449 827 HB THR 108 HB THR 108 20.884 3.380 3.380 828 HG1 THR 108 HG1 THR 108 20.711 4.270 4.270 829 1HG2 THR 108 HG22 THR 108 23.053 1.974 1.974 830 2HG2 THR 108 HG21 THR 108 23.265 2.123 2.123 831 3HG2 THR 108 HG23 THR 108 21.818 1.354 1.354 832 H ASP 109 HN ASP 109 23.161 4.167 4.167 833 HA ASP 109 HA ASP 109 26.094 4.111 4.111 834 1HB ASP 109 HB2 ASP 109 25.643 6.449 6.449 835 2HB ASP 109 HB1 ASP 109 24.563 5.987 5.987 836 H ASN 110 HN ASN 110 23.267 2.771 2.771 837 HA ASN 110 HA ASN 110 24.400 1.880 1.880 838 1HB ASN 110 HB2 ASN 110 22.423 0.475 0.475 839 2HB ASN 110 HB1 ASN 110 21.912 2.067 2.067 840 1HD2 ASN 110 HD21 ASN 110 23.272 1.026 1.026 841 2HD2 ASN 110 HD22 ASN 110 21.988 0.193 0.193 842 H GLN 111 HN GLN 111 25.521 0.010 0.010 843 HA GLN 111 HA GLN 111 26.865 -1.101 -1.101 844 1HB GLN 111 HB2 GLN 111 28.105 -0.914 -0.914 845 2HB GLN 111 HB1 GLN 111 26.862 -1.685 -1.685 846 1HG GLN 111 HG2 GLN 111 27.390 -3.838 -3.838 847 2HG GLN 111 HG1 GLN 111 28.280 -3.181 -3.181 848 1HE2 GLN 111 HE21 GLN 111 30.225 -4.417 -4.417 849 2HE2 GLN 111 HE22 GLN 111 31.140 -3.849 -3.849 850 H ALA 112 HN ALA 112 23.757 -1.845 -1.845 851 HA ALA 112 HA ALA 112 23.997 -4.769 -4.769 852 1HB ALA 112 HB2 ALA 112 22.133 -3.734 -3.734 853 2HB ALA 112 HB1 ALA 112 21.524 -3.029 -3.029 854 3HB ALA 112 HB3 ALA 112 21.553 -4.780 -4.780 855 H ILE 113 HN ILE 113 22.958 -2.033 -2.033 856 HA ILE 113 HA ILE 113 22.351 -3.391 -3.391 857 HB ILE 113 HB ILE 113 22.887 -0.585 -0.585 858 1HG1 ILE 113 HG12 ILE 113 20.675 -0.292 -0.292 859 2HG1 ILE 113 HG11 ILE 113 20.589 -2.051 -2.051 860 1HG2 ILE 113 HG21 ILE 113 23.012 -1.548 -1.548 861 2HG2 ILE 113 HG23 ILE 113 22.446 0.083 0.083 862 3HG2 ILE 113 HG22 ILE 113 24.070 -0.415 -0.415 863 1HD1 ILE 113 HD11 ILE 113 21.198 -1.515 -1.515 864 2HD1 ILE 113 HD13 ILE 113 20.234 -0.101 -0.101 865 3HD1 ILE 113 HD12 ILE 113 19.555 -1.717 -1.717 866 H LYS 114 HN LYS 114 25.004 -1.391 -1.391 867 HA LYS 114 HA LYS 114 26.710 -1.682 -1.682 868 1HB LYS 114 HB2 LYS 114 27.749 -1.522 -1.522 869 2HB LYS 114 HB1 LYS 114 28.388 -0.731 -0.731 870 1HG LYS 114 HG2 LYS 114 25.605 0.057 0.057 871 2HG LYS 114 HG1 LYS 114 26.643 0.430 0.430 872 1HD LYS 114 HD2 LYS 114 26.632 2.327 2.327 873 2HD LYS 114 HD1 LYS 114 28.211 1.562 1.562 874 1HE LYS 114 HE2 LYS 114 26.257 0.469 0.469 875 2HE LYS 114 HE1 LYS 114 26.521 2.201 2.201 876 1HZ LYS 114 HZ1 LYS 114 28.795 0.360 0.360 877 2HZ LYS 114 HZ3 LYS 114 28.088 0.583 0.583 878 3HZ LYS 114 HZ2 LYS 114 28.769 1.906 1.906 879 H ALA 115 HN ALA 115 25.618 -3.962 -3.962 880 HA ALA 115 HA ALA 115 27.835 -5.762 -5.762 881 1HB ALA 115 HB1 ALA 115 25.631 -5.778 -5.778 882 2HB ALA 115 HB3 ALA 115 24.988 -6.711 -6.711 883 3HB ALA 115 HB2 ALA 115 26.374 -7.316 -7.316 884 H LEU 116 HN LEU 116 25.025 -5.468 -5.468 885 HA LEU 116 HA LEU 116 25.848 -7.757 -7.757 886 1HB LEU 116 HB2 LEU 116 23.787 -5.657 -5.657 887 2HB LEU 116 HB1 LEU 116 24.397 -6.209 -6.209 888 HG LEU 116 HG LEU 116 23.008 -7.818 -7.818 889 1HD1 LEU 116 HD12 LEU 116 22.571 -7.358 -7.358 890 2HD1 LEU 116 HD11 LEU 116 21.634 -8.493 -8.493 891 3HD1 LEU 116 HD13 LEU 116 21.564 -6.763 -6.763 892 1HD2 LEU 116 HD22 LEU 116 24.926 -8.757 -8.757 893 2HD2 LEU 116 HD21 LEU 116 24.597 -9.434 -9.434 894 3HD2 LEU 116 HD23 LEU 116 23.470 -9.717 -9.717 895 H LEU 117 HN LEU 117 27.041 -4.521 -4.521 896 HA LEU 117 HA LEU 117 28.025 -4.511 -4.511 897 1HB LEU 117 HB2 LEU 117 28.697 -2.378 -2.378 898 2HB LEU 117 HB1 LEU 117 27.728 -2.534 -2.534 899 HG LEU 117 HG LEU 117 29.924 -3.495 -3.495 900 1HD1 LEU 117 HD13 LEU 117 30.834 -2.877 -2.877 901 2HD1 LEU 117 HD12 LEU 117 31.585 -1.724 -1.724 902 3HD1 LEU 117 HD11 LEU 117 31.789 -3.452 -3.452 903 1HD2 LEU 117 HD23 LEU 117 28.797 -1.304 -1.304 904 2HD2 LEU 117 HD22 LEU 117 30.551 -1.262 -1.262 905 3HD2 LEU 117 HD21 LEU 117 29.800 -0.573 -0.573 906 H GLN 118 HN GLN 118 28.587 -6.393 -6.393 907 HA GLN 118 HA GLN 118 31.430 -6.638 -6.638 908 1HB GLN 118 HB2 GLN 118 29.100 -8.436 -8.436 909 2HB GLN 118 HB1 GLN 118 30.718 -9.137 -9.137 910 1HG GLN 118 HG2 GLN 118 31.432 -7.640 -7.640 911 2HG GLN 118 HG1 GLN 118 29.932 -6.720 -6.720 912 1HE2 GLN 118 HE21 GLN 118 27.878 -8.026 -8.026 913 2HE2 GLN 118 HE22 GLN 118 28.009 -9.247 -9.247 Start of MODEL 30 1 1H MET 1 HT3 MET 1 -10.825 -7.189 -7.189 2 2H MET 1 HT2 MET 1 -11.661 -5.732 -5.732 3 3H MET 1 HT1 MET 1 -10.084 -5.712 -5.712 4 HA MET 1 HA MET 1 -11.396 -5.358 -5.358 5 1HB MET 1 HB2 MET 1 -13.561 -5.793 -5.793 6 2HB MET 1 HB1 MET 1 -13.184 -7.506 -7.506 7 1HG MET 1 HG2 MET 1 -13.211 -7.861 -7.861 8 2HG MET 1 HG1 MET 1 -13.216 -6.128 -6.128 9 1HE MET 1 HE2 MET 1 -14.968 -7.917 -7.917 10 2HE MET 1 HE1 MET 1 -15.436 -6.227 -6.227 11 3HE MET 1 HE3 MET 1 -16.658 -7.456 -7.456 12 H CYS 2 HN CYS 2 -10.796 -8.617 -8.617 13 HA CYS 2 HA CYS 2 -10.177 -9.678 -9.678 14 1HB CYS 2 HB2 CYS 2 -9.443 -11.703 -11.703 15 2HB CYS 2 HB1 CYS 2 -11.132 -11.234 -11.234 16 HG CYS 2 HG CYS 2 -10.178 -9.874 -9.874 17 H ASP 3 HN ASP 3 -8.488 -7.952 -7.952 18 HA ASP 3 HA ASP 3 -5.876 -8.973 -8.973 19 1HB ASP 3 HB2 ASP 3 -6.621 -6.036 -6.036 20 2HB ASP 3 HB1 ASP 3 -5.103 -6.738 -6.738 21 H LYS 4 HN LYS 4 -7.588 -6.912 -6.912 22 HA LYS 4 HA LYS 4 -5.508 -6.123 -6.123 23 1HB LYS 4 HB2 LYS 4 -8.330 -6.985 -6.985 24 2HB LYS 4 HB1 LYS 4 -7.245 -6.178 -6.178 25 1HG LYS 4 HG2 LYS 4 -7.685 -4.927 -4.927 26 2HG LYS 4 HG1 LYS 4 -8.953 -4.774 -4.774 27 1HD LYS 4 HD2 LYS 4 -7.311 -3.840 -3.840 28 2HD LYS 4 HD1 LYS 4 -6.051 -3.974 -3.974 29 1HE LYS 4 HE2 LYS 4 -6.910 -1.689 -1.689 30 2HE LYS 4 HE1 LYS 4 -7.384 -2.475 -2.475 31 1HZ LYS 4 HZ1 LYS 4 -9.494 -3.090 -3.090 32 2HZ LYS 4 HZ3 LYS 4 -9.035 -1.837 -1.837 33 3HZ LYS 4 HZ2 LYS 4 -9.334 -1.506 -1.506 34 H GLU 5 HN GLU 5 -7.573 -8.991 -8.991 35 HA GLU 5 HA GLU 5 -6.127 -10.172 -10.172 36 1HB GLU 5 HB2 GLU 5 -8.243 -11.057 -11.057 37 2HB GLU 5 HB1 GLU 5 -7.227 -11.749 -11.749 38 1HG GLU 5 HG2 GLU 5 -5.922 -12.922 -12.922 39 2HG GLU 5 HG1 GLU 5 -7.174 -12.396 -12.396 40 H PHE 6 HN PHE 6 -5.200 -9.962 -9.962 41 HA PHE 6 HA PHE 6 -3.135 -11.963 -11.963 42 1HB PHE 6 HB2 PHE 6 -4.251 -10.671 -10.671 43 2HB PHE 6 HB1 PHE 6 -2.975 -9.496 -9.496 44 HD1 PHE 6 HD2 PHE 6 -0.926 -11.740 -11.740 45 HD2 PHE 6 HD1 PHE 6 -3.425 -11.265 -11.265 46 HE1 PHE 6 HE2 PHE 6 0.626 -13.143 -13.143 47 HE2 PHE 6 HE1 PHE 6 -1.864 -12.673 -12.673 48 HZ PHE 6 HZ PHE 6 0.162 -13.612 -13.612 49 H MET 7 HN MET 7 -2.457 -8.467 -8.467 50 HA MET 7 HA MET 7 0.127 -8.604 -8.604 51 1HB MET 7 HB2 MET 7 0.145 -6.257 -6.257 52 2HB MET 7 HB1 MET 7 -1.036 -6.649 -6.649 53 1HG MET 7 HG2 MET 7 -2.726 -6.536 -6.536 54 2HG MET 7 HG1 MET 7 -1.467 -5.496 -5.496 55 1HE MET 7 HE2 MET 7 -3.376 -6.546 -6.546 56 2HE MET 7 HE1 MET 7 -4.332 -5.141 -5.141 57 3HE MET 7 HE3 MET 7 -2.785 -5.466 -5.466 58 H TRP 8 HN TRP 8 -2.992 -8.390 -8.390 59 HA TRP 8 HA TRP 8 -2.286 -7.450 -7.450 60 1HB TRP 8 HB2 TRP 8 -4.578 -8.288 -8.288 61 2HB TRP 8 HB1 TRP 8 -4.046 -9.880 -9.880 62 HD1 TRP 8 HD1 TRP 8 -4.550 -10.418 -10.418 63 HE1 TRP 8 HE1 TRP 8 -5.091 -9.056 -9.056 64 HE3 TRP 8 HE3 TRP 8 -4.026 -5.681 -5.681 65 HZ2 TRP 8 HZ2 TRP 8 -5.278 -6.319 -6.319 66 HZ3 TRP 8 HZ3 TRP 8 -4.390 -3.717 -3.717 67 HH2 TRP 8 HH2 TRP 8 -5.015 -4.029 -4.029 68 H ALA 9 HN ALA 9 -1.408 -10.488 -10.488 69 HA ALA 9 HA ALA 9 -0.463 -11.618 -11.618 70 1HB ALA 9 HB2 ALA 9 -1.436 -12.966 -12.966 71 2HB ALA 9 HB1 ALA 9 0.120 -12.713 -12.713 72 3HB ALA 9 HB3 ALA 9 0.040 -13.585 -13.585 73 H LEU 10 HN LEU 10 1.152 -10.788 -10.788 74 HA LEU 10 HA LEU 10 3.820 -10.991 -10.991 75 1HB LEU 10 HB2 LEU 10 2.661 -8.904 -8.904 76 2HB LEU 10 HB1 LEU 10 4.371 -9.283 -9.283 77 HG LEU 10 HG LEU 10 3.326 -11.776 -11.776 78 1HD1 LEU 10 HD11 LEU 10 1.080 -10.698 -10.698 79 2HD1 LEU 10 HD13 LEU 10 1.816 -9.835 -9.835 80 3HD1 LEU 10 HD12 LEU 10 1.713 -11.595 -11.595 81 1HD2 LEU 10 HD23 LEU 10 4.381 -9.641 -9.641 82 2HD2 LEU 10 HD22 LEU 10 5.265 -10.981 -10.981 83 3HD2 LEU 10 HD21 LEU 10 4.080 -11.294 -11.294 84 H LYS 11 HN LYS 11 1.321 -8.970 -8.970 85 HA LYS 11 HA LYS 11 2.966 -6.752 -6.752 86 1HB LYS 11 HB2 LYS 11 0.868 -6.185 -6.185 87 2HB LYS 11 HB1 LYS 11 0.015 -7.388 -7.388 88 1HG LYS 11 HG2 LYS 11 0.289 -6.134 -6.134 89 2HG LYS 11 HG1 LYS 11 1.481 -5.066 -5.066 90 1HD LYS 11 HD2 LYS 11 -0.151 -4.032 -4.032 91 2HD LYS 11 HD1 LYS 11 -1.337 -5.297 -5.297 92 1HE LYS 11 HE2 LYS 11 -1.772 -3.180 -3.180 93 2HE LYS 11 HE1 LYS 11 -1.549 -4.589 -4.589 94 1HZ LYS 11 HZ1 LYS 11 0.696 -2.809 -2.809 95 2HZ LYS 11 HZ3 LYS 11 -0.292 -2.498 -2.498 96 3HZ LYS 11 HZ2 LYS 11 0.610 -3.936 -3.936 97 H ASN 12 HN ASN 12 0.359 -8.593 -8.593 98 HA ASN 12 HA ASN 12 1.547 -8.121 -8.121 99 1HB ASN 12 HB2 ASN 12 -0.936 -9.457 -9.457 100 2HB ASN 12 HB1 ASN 12 -0.480 -9.610 -9.610 101 1HD2 ASN 12 HD21 ASN 12 0.258 -7.245 -7.245 102 2HD2 ASN 12 HD22 ASN 12 -0.842 -6.003 -6.003 103 H GLY 13 HN GLY 13 2.286 -10.376 -10.376 104 1HA GLY 13 HA2 GLY 13 3.731 -12.226 -12.226 105 2HA GLY 13 HA1 GLY 13 3.526 -12.094 -12.094 106 H ASP 14 HN ASP 14 0.620 -12.163 -12.163 107 HA ASP 14 HA ASP 14 -0.217 -14.615 -14.615 108 1HB ASP 14 HB2 ASP 14 -1.530 -13.574 -13.574 109 2HB ASP 14 HB1 ASP 14 -2.241 -14.304 -14.304 110 H LEU 15 HN LEU 15 2.092 -15.192 -15.192 111 HA LEU 15 HA LEU 15 2.588 -16.003 -16.003 112 1HB LEU 15 HB2 LEU 15 4.151 -16.185 -16.185 113 2HB LEU 15 HB1 LEU 15 3.209 -17.526 -17.526 114 HG LEU 15 HG LEU 15 5.326 -18.103 -18.103 115 1HD1 LEU 15 HD11 LEU 15 2.890 -19.423 -19.423 116 2HD1 LEU 15 HD13 LEU 15 3.263 -19.560 -19.560 117 3HD1 LEU 15 HD12 LEU 15 4.414 -20.138 -20.138 118 1HD2 LEU 15 HD23 LEU 15 4.695 -16.401 -16.401 119 2HD2 LEU 15 HD22 LEU 15 5.340 -17.960 -17.960 120 3HD2 LEU 15 HD21 LEU 15 3.606 -17.659 -17.659 121 H ASP 16 HN ASP 16 0.322 -17.437 -17.437 122 HA ASP 16 HA ASP 16 -0.037 -19.941 -19.941 123 1HB ASP 16 HB2 ASP 16 -1.843 -18.250 -18.250 124 2HB ASP 16 HB1 ASP 16 -2.292 -19.850 -19.850 125 H GLU 17 HN GLU 17 -1.341 -16.719 -16.719 126 HA GLU 17 HA GLU 17 -3.379 -17.606 -17.606 127 1HB GLU 17 HB2 GLU 17 -2.320 -14.937 -14.937 128 2HB GLU 17 HB1 GLU 17 -3.408 -15.050 -15.050 129 1HG GLU 17 HG2 GLU 17 -4.541 -14.657 -14.657 130 2HG GLU 17 HG1 GLU 17 -5.140 -16.039 -16.039 131 H VAL 18 HN VAL 18 -0.182 -15.981 -15.981 132 HA VAL 18 HA VAL 18 -0.387 -15.876 -15.876 133 HB VAL 18 HB VAL 18 2.286 -16.009 -16.009 134 1HG1 VAL 18 HG13 VAL 18 0.308 -13.837 -13.837 135 2HG1 VAL 18 HG12 VAL 18 1.867 -13.491 -13.491 136 3HG1 VAL 18 HG11 VAL 18 1.781 -13.894 -13.894 137 1HG2 VAL 18 HG22 VAL 18 1.673 -16.683 -16.683 138 2HG2 VAL 18 HG21 VAL 18 3.063 -15.659 -15.659 139 3HG2 VAL 18 HG23 VAL 18 1.550 -14.938 -14.938 140 H LYS 19 HN LYS 19 0.653 -18.290 -18.290 141 HA LYS 19 HA LYS 19 1.917 -20.140 -20.140 142 1HB LYS 19 HB2 LYS 19 1.598 -20.147 -20.147 143 2HB LYS 19 HB1 LYS 19 0.098 -21.002 -21.002 144 1HG LYS 19 HG2 LYS 19 1.773 -22.669 -22.669 145 2HG LYS 19 HG1 LYS 19 1.472 -22.642 -22.642 146 1HD LYS 19 HD2 LYS 19 3.659 -22.219 -22.219 147 2HD LYS 19 HD1 LYS 19 3.506 -20.707 -20.707 148 1HE LYS 19 HE2 LYS 19 5.258 -22.260 -22.260 149 2HE LYS 19 HE1 LYS 19 4.031 -21.792 -21.792 150 1HZ LYS 19 HZ1 LYS 19 2.966 -24.002 -24.002 151 2HZ LYS 19 HZ3 LYS 19 4.618 -24.386 -24.386 152 3HZ LYS 19 HZ2 LYS 19 3.815 -23.976 -23.976 153 H ASP 20 HN ASP 20 -1.467 -19.419 -19.419 154 HA ASP 20 HA ASP 20 -2.542 -21.767 -21.767 155 1HB ASP 20 HB2 ASP 20 -3.885 -20.189 -20.189 156 2HB ASP 20 HB1 ASP 20 -3.754 -18.991 -18.991 157 H TYR 21 HN TYR 21 -2.043 -18.480 -18.480 158 HA TYR 21 HA TYR 21 -2.776 -19.215 -19.215 159 1HB TYR 21 HB2 TYR 21 -0.650 -17.147 -17.147 160 2HB TYR 21 HB1 TYR 21 -2.113 -17.085 -17.085 161 HD1 TYR 21 HD1 TYR 21 -4.140 -17.907 -17.907 162 HD2 TYR 21 HD2 TYR 21 -0.832 -15.184 -15.184 163 HE1 TYR 21 HE1 TYR 21 -5.299 -16.664 -16.664 164 HE2 TYR 21 HE2 TYR 21 -1.990 -13.942 -13.942 165 HH TYR 21 HH TYR 21 -5.288 -14.424 -14.424 166 H VAL 22 HN VAL 22 0.467 -18.840 -18.840 167 HA VAL 22 HA VAL 22 1.864 -19.894 -19.894 168 HB VAL 22 HB VAL 22 2.603 -19.442 -19.442 169 1HG1 VAL 22 HG12 VAL 22 4.388 -20.358 -20.358 170 2HG1 VAL 22 HG11 VAL 22 4.951 -19.831 -19.831 171 3HG1 VAL 22 HG13 VAL 22 3.989 -21.299 -21.299 172 1HG2 VAL 22 HG22 VAL 22 2.166 -17.520 -17.520 173 2HG2 VAL 22 HG21 VAL 22 3.804 -17.555 -17.555 174 3HG2 VAL 22 HG23 VAL 22 3.497 -18.103 -18.103 175 H ALA 23 HN ALA 23 0.183 -21.448 -21.448 176 HA ALA 23 HA ALA 23 1.582 -23.937 -23.937 177 1HB ALA 23 HB1 ALA 23 -1.214 -23.087 -23.087 178 2HB ALA 23 HB3 ALA 23 -0.887 -24.809 -24.809 179 3HB ALA 23 HB2 ALA 23 -0.006 -23.866 -23.866 180 H LYS 24 HN LYS 24 -0.442 -22.355 -22.355 181 HA LYS 24 HA LYS 24 -1.506 -24.481 -24.481 182 1HB LYS 24 HB2 LYS 24 -2.158 -22.150 -22.150 183 2HB LYS 24 HB1 LYS 24 -0.518 -21.742 -21.742 184 1HG LYS 24 HG2 LYS 24 -1.100 -22.213 -22.213 185 2HG LYS 24 HG1 LYS 24 -1.287 -23.902 -23.902 186 1HD LYS 24 HD2 LYS 24 -3.451 -21.791 -21.791 187 2HD LYS 24 HD1 LYS 24 -3.331 -22.988 -22.988 188 1HE LYS 24 HE2 LYS 24 -3.256 -24.708 -24.708 189 2HE LYS 24 HE1 LYS 24 -4.016 -23.391 -23.391 190 1HZ LYS 24 HZ1 LYS 24 -5.017 -24.468 -24.468 191 2HZ LYS 24 HZ3 LYS 24 -5.620 -24.906 -24.906 192 3HZ LYS 24 HZ2 LYS 24 -5.774 -23.304 -23.304 193 H GLY 25 HN GLY 25 0.915 -22.537 -22.537 194 1HA GLY 25 HA2 GLY 25 2.972 -24.561 -24.561 195 2HA GLY 25 HA1 GLY 25 2.048 -24.587 -24.587 196 H GLU 26 HN GLU 26 4.641 -23.180 -23.180 197 HA GLU 26 HA GLU 26 5.876 -21.198 -21.198 198 1HB GLU 26 HB2 GLU 26 6.531 -21.113 -21.113 199 2HB GLU 26 HB1 GLU 26 7.010 -22.502 -22.502 200 1HG GLU 26 HG2 GLU 26 5.066 -23.766 -23.766 201 2HG GLU 26 HG1 GLU 26 4.562 -22.374 -22.374 202 H ASP 27 HN ASP 27 4.421 -19.563 -19.563 203 HA ASP 27 HA ASP 27 3.434 -17.954 -17.954 204 1HB ASP 27 HB2 ASP 27 1.887 -18.695 -18.695 205 2HB ASP 27 HB1 ASP 27 1.444 -17.332 -17.332 206 H VAL 28 HN VAL 28 5.800 -17.899 -17.899 207 HA VAL 28 HA VAL 28 5.303 -15.512 -15.512 208 HB VAL 28 HB VAL 28 7.594 -16.036 -16.036 209 1HG1 VAL 28 HG13 VAL 28 5.473 -16.932 -16.932 210 2HG1 VAL 28 HG12 VAL 28 5.661 -18.374 -18.374 211 3HG1 VAL 28 HG11 VAL 28 6.851 -18.002 -18.002 212 1HG2 VAL 28 HG23 VAL 28 8.122 -17.297 -17.297 213 2HG2 VAL 28 HG22 VAL 28 8.812 -17.883 -17.883 214 3HG2 VAL 28 HG21 VAL 28 7.389 -18.670 -18.670 215 H ASN 29 HN ASN 29 5.072 -14.462 -14.462 216 HA ASN 29 HA ASN 29 7.286 -12.727 -12.727 217 1HB ASN 29 HB2 ASN 29 7.675 -13.557 -13.557 218 2HB ASN 29 HB1 ASN 29 8.498 -14.393 -14.393 219 1HD2 ASN 29 HD21 ASN 29 7.391 -16.432 -16.432 220 2HD2 ASN 29 HD22 ASN 29 6.465 -17.334 -17.334 221 H ARG 30 HN ARG 30 4.424 -12.691 -12.691 222 HA ARG 30 HA ARG 30 3.475 -11.599 -11.599 223 1HB ARG 30 HB2 ARG 30 1.773 -12.223 -12.223 224 2HB ARG 30 HB1 ARG 30 1.259 -12.045 -12.045 225 1HG ARG 30 HG2 ARG 30 2.546 -14.075 -14.075 226 2HG ARG 30 HG1 ARG 30 3.020 -14.263 -14.263 227 1HD ARG 30 HD2 ARG 30 1.103 -15.704 -15.704 228 2HD ARG 30 HD1 ARG 30 0.620 -14.423 -14.423 229 HE ARG 30 HE ARG 30 0.035 -13.387 -13.387 230 1HH1 ARG 30 HH21 ARG 30 -0.678 -16.267 -16.267 231 2HH1 ARG 30 HH22 ARG 30 -2.213 -16.512 -16.512 232 1HH2 ARG 30 HH11 ARG 30 -1.965 -13.690 -13.690 233 2HH2 ARG 30 HH12 ARG 30 -2.942 -15.052 -15.052 234 H THR 31 HN THR 31 3.202 -9.412 -9.412 235 HA THR 31 HA THR 31 4.092 -7.569 -7.569 236 HB THR 31 HB THR 31 1.802 -7.184 -7.184 237 HG1 THR 31 HG1 THR 31 3.817 -6.043 -6.043 238 1HG2 THR 31 HG22 THR 31 3.561 -5.204 -5.204 239 2HG2 THR 31 HG21 THR 31 2.455 -4.784 -4.784 240 3HG2 THR 31 HG23 THR 31 1.822 -5.421 -5.421 241 H LEU 32 HN LEU 32 3.350 -7.038 -7.038 242 HA LEU 32 HA LEU 32 1.057 -8.258 -8.258 243 1HB LEU 32 HB2 LEU 32 3.187 -6.668 -6.668 244 2HB LEU 32 HB1 LEU 32 1.745 -5.739 -5.739 245 HG LEU 32 HG LEU 32 2.053 -8.685 -8.685 246 1HD1 LEU 32 HD11 LEU 32 3.737 -7.062 -7.062 247 2HD1 LEU 32 HD13 LEU 32 2.333 -6.436 -6.436 248 3HD1 LEU 32 HD12 LEU 32 2.796 -8.127 -8.127 249 1HD2 LEU 32 HD23 LEU 32 -0.260 -7.789 -7.789 250 2HD2 LEU 32 HD22 LEU 32 0.182 -8.221 -8.221 251 3HD2 LEU 32 HD21 LEU 32 0.180 -6.529 -6.529 252 H GLU 33 HN GLU 33 -0.110 -5.814 -5.814 253 HA GLU 33 HA GLU 33 -2.133 -5.338 -5.338 254 1HB GLU 33 HB2 GLU 33 -2.834 -5.554 -5.554 255 2HB GLU 33 HB1 GLU 33 -1.730 -4.289 -4.289 256 1HG GLU 33 HG2 GLU 33 -4.348 -3.831 -3.831 257 2HG GLU 33 HG1 GLU 33 -3.124 -2.596 -2.596 258 H GLY 34 HN GLY 34 0.074 -4.356 -4.356 259 1HA GLY 34 HA2 GLY 34 -0.573 -1.747 -1.747 260 2HA GLY 34 HA1 GLY 34 0.560 -1.563 -1.563 261 H GLY 35 HN GLY 35 2.672 -1.664 -1.664 262 1HA GLY 35 HA2 GLY 35 3.574 -2.880 -2.880 263 2HA GLY 35 HA1 GLY 35 4.115 -1.266 -1.266 264 H ARG 36 HN ARG 36 3.632 -3.376 -3.376 265 HA ARG 36 HA ARG 36 6.592 -3.680 -3.680 266 1HB ARG 36 HB2 ARG 36 4.387 -3.704 -3.704 267 2HB ARG 36 HB1 ARG 36 6.104 -3.924 -3.924 268 1HG ARG 36 HG2 ARG 36 6.563 -1.699 -1.699 269 2HG ARG 36 HG1 ARG 36 4.830 -1.474 -1.474 270 1HD ARG 36 HD2 ARG 36 5.054 -2.192 -2.192 271 2HD ARG 36 HD1 ARG 36 6.431 -1.123 -1.123 272 HE ARG 36 HE ARG 36 4.348 0.238 0.238 273 1HH1 ARG 36 HH21 ARG 36 4.882 -1.260 -1.260 274 2HH1 ARG 36 HH22 ARG 36 3.896 -0.133 -0.133 275 1HH2 ARG 36 HH11 ARG 36 3.062 1.718 1.718 276 2HH2 ARG 36 HH12 ARG 36 2.867 1.552 1.552 277 H LYS 37 HN LYS 37 7.233 -5.686 -5.686 278 HA LYS 37 HA LYS 37 5.798 -8.050 -8.050 279 1HB LYS 37 HB2 LYS 37 8.113 -9.096 -9.096 280 2HB LYS 37 HB1 LYS 37 8.011 -8.264 -8.264 281 1HG LYS 37 HG2 LYS 37 9.933 -7.472 -7.472 282 2HG LYS 37 HG1 LYS 37 8.779 -6.179 -6.179 283 1HD LYS 37 HD2 LYS 37 7.934 -6.220 -6.220 284 2HD LYS 37 HD1 LYS 37 8.578 -7.829 -7.829 285 1HE LYS 37 HE2 LYS 37 10.034 -6.376 -6.376 286 2HE LYS 37 HE1 LYS 37 10.906 -6.746 -6.746 287 1HZ LYS 37 HZ2 LYS 37 9.131 -4.388 -4.388 288 2HZ LYS 37 HZ1 LYS 37 10.765 -4.325 -4.325 289 3HZ LYS 37 HZ3 LYS 37 10.355 -4.685 -4.685 290 HA PRO 38 HA PRO 38 4.553 -9.330 -9.330 291 1HB PRO 38 HB2 PRO 38 5.028 -12.106 -12.106 292 2HB PRO 38 HB1 PRO 38 3.561 -11.262 -11.262 293 1HG PRO 38 HG2 PRO 38 5.668 -12.446 -12.446 294 2HG PRO 38 HG1 PRO 38 4.066 -11.874 -11.874 295 1HD PRO 38 HD2 PRO 38 6.578 -10.580 -10.580 296 2HD PRO 38 HD1 PRO 38 4.960 -9.952 -9.952 297 H LEU 39 HN LEU 39 7.336 -8.462 -8.462 298 HA LEU 39 HA LEU 39 8.431 -10.258 -10.258 299 1HB LEU 39 HB2 LEU 39 9.501 -10.419 -10.419 300 2HB LEU 39 HB1 LEU 39 10.210 -8.861 -8.861 301 HG LEU 39 HG LEU 39 11.769 -9.779 -9.779 302 1HD1 LEU 39 HD13 LEU 39 9.776 -11.852 -11.852 303 2HD1 LEU 39 HD12 LEU 39 11.399 -11.619 -11.619 304 3HD1 LEU 39 HD11 LEU 39 10.189 -10.359 -10.359 305 1HD2 LEU 39 HD23 LEU 39 11.720 -11.194 -11.194 306 2HD2 LEU 39 HD22 LEU 39 12.511 -11.936 -11.936 307 3HD2 LEU 39 HD21 LEU 39 10.874 -12.417 -12.417 308 H HIS 40 HN HIS 40 7.819 -7.064 -7.064 309 HA HIS 40 HA HIS 40 9.694 -5.648 -5.648 310 1HB HIS 40 HB2 HIS 40 8.472 -4.740 -4.740 311 2HB HIS 40 HB1 HIS 40 7.055 -4.576 -4.576 312 HD1 HIS 40 HD1 HIS 40 8.701 -3.721 -3.721 313 HD2 HIS 40 HD2 HIS 40 9.018 -1.970 -1.970 314 HE1 HIS 40 HE1 HIS 40 9.611 -1.386 -1.386 315 H TYR 41 HN TYR 41 6.141 -6.066 -6.066 316 HA TYR 41 HA TYR 41 6.039 -4.942 -4.942 317 1HB TYR 41 HB2 TYR 41 4.153 -7.049 -7.049 318 2HB TYR 41 HB1 TYR 41 3.807 -5.778 -5.778 319 HD1 TYR 41 HD1 TYR 41 4.810 -6.352 -6.352 320 HD2 TYR 41 HD2 TYR 41 3.083 -3.652 -3.652 321 HE1 TYR 41 HE1 TYR 41 4.203 -4.799 -4.799 322 HE2 TYR 41 HE2 TYR 41 2.476 -2.106 -2.106 323 HH TYR 41 HH TYR 41 2.098 -2.112 -2.112 324 H ALA 42 HN ALA 42 6.532 -8.221 -8.221 325 HA ALA 42 HA ALA 42 6.481 -9.487 -9.487 326 1HB ALA 42 HB1 ALA 42 7.259 -10.231 -10.231 327 2HB ALA 42 HB3 ALA 42 8.066 -11.129 -11.129 328 3HB ALA 42 HB2 ALA 42 6.307 -11.138 -11.138 329 H ALA 43 HN ALA 43 9.187 -8.617 -8.617 330 HA ALA 43 HA ALA 43 11.272 -9.040 -9.040 331 1HB ALA 43 HB1 ALA 43 11.048 -6.882 -6.882 332 2HB ALA 43 HB3 ALA 43 12.546 -7.392 -7.392 333 3HB ALA 43 HB2 ALA 43 11.666 -8.514 -8.514 334 H ASP 44 HN ASP 44 9.692 -5.947 -5.947 335 HA ASP 44 HA ASP 44 10.768 -4.405 -4.405 336 1HB ASP 44 HB2 ASP 44 9.606 -3.459 -3.459 337 2HB ASP 44 HB1 ASP 44 8.079 -4.104 -4.104 338 H CYS 45 HN CYS 45 8.087 -6.688 -6.688 339 HA CYS 45 HA CYS 45 8.028 -6.542 -6.542 340 1HB CYS 45 HB2 CYS 45 5.389 -5.943 -5.943 341 2HB CYS 45 HB1 CYS 45 6.622 -4.731 -4.731 342 HG CYS 45 HG CYS 45 6.205 -3.740 -3.740 343 H GLY 46 HN GLY 46 8.509 -8.776 -8.776 344 1HA GLY 46 HA2 GLY 46 5.904 -10.241 -10.241 345 2HA GLY 46 HA1 GLY 46 7.404 -10.726 -10.726 346 H GLN 47 HN GLN 47 7.329 -9.619 -9.619 347 HA GLN 47 HA GLN 47 8.061 -10.761 -10.761 348 1HB GLN 47 HB2 GLN 47 6.316 -12.802 -12.802 349 2HB GLN 47 HB1 GLN 47 7.122 -13.184 -13.184 350 1HG GLN 47 HG2 GLN 47 4.738 -12.252 -12.252 351 2HG GLN 47 HG1 GLN 47 5.955 -11.483 -11.483 352 1HE2 GLN 47 HE21 GLN 47 5.057 -11.087 -11.087 353 2HE2 GLN 47 HE22 GLN 47 4.869 -9.403 -9.403 354 H LEU 48 HN LEU 48 9.361 -10.898 -10.898 355 HA LEU 48 HA LEU 48 11.307 -11.705 -11.705 356 1HB LEU 48 HB2 LEU 48 11.717 -12.448 -12.448 357 2HB LEU 48 HB1 LEU 48 12.926 -12.771 -12.771 358 HG LEU 48 HG LEU 48 13.685 -10.670 -10.670 359 1HD1 LEU 48 HD11 LEU 48 10.907 -9.779 -9.779 360 2HD1 LEU 48 HD13 LEU 48 12.303 -8.716 -8.716 361 3HD1 LEU 48 HD12 LEU 48 12.293 -10.006 -10.006 362 1HD2 LEU 48 HD23 LEU 48 11.295 -10.291 -10.291 363 2HD2 LEU 48 HD22 LEU 48 12.950 -10.663 -10.663 364 3HD2 LEU 48 HD21 LEU 48 12.563 -9.081 -9.081 365 H GLU 49 HN GLU 49 8.912 -13.638 -13.638 366 HA GLU 49 HA GLU 49 10.305 -16.175 -16.175 367 1HB GLU 49 HB2 GLU 49 7.849 -17.058 -17.058 368 2HB GLU 49 HB1 GLU 49 8.882 -16.662 -16.662 369 1HG GLU 49 HG2 GLU 49 7.877 -14.471 -14.471 370 2HG GLU 49 HG1 GLU 49 6.942 -14.723 -14.723 371 H ILE 50 HN ILE 50 7.701 -14.040 -14.040 372 HA ILE 50 HA ILE 50 6.837 -15.580 -15.580 373 HB ILE 50 HB ILE 50 6.795 -12.571 -12.571 374 1HG1 ILE 50 HG12 ILE 50 5.544 -14.566 -14.566 375 2HG1 ILE 50 HG11 ILE 50 5.591 -12.821 -12.821 376 1HG2 ILE 50 HG22 ILE 50 5.083 -14.637 -14.637 377 2HG2 ILE 50 HG21 ILE 50 4.697 -12.919 -12.919 378 3HG2 ILE 50 HG23 ILE 50 6.158 -13.460 -13.460 379 1HD1 ILE 50 HD13 ILE 50 3.691 -14.134 -14.134 380 2HD1 ILE 50 HD12 ILE 50 3.283 -13.957 -13.957 381 3HD1 ILE 50 HD11 ILE 50 3.599 -12.530 -12.530 382 H LEU 51 HN LEU 51 9.388 -13.111 -13.111 383 HA LEU 51 HA LEU 51 9.748 -12.973 -12.973 384 1HB LEU 51 HB2 LEU 51 12.282 -12.460 -12.460 385 2HB LEU 51 HB1 LEU 51 11.011 -11.257 -11.257 386 HG LEU 51 HG LEU 51 12.213 -11.130 -11.130 387 1HD1 LEU 51 HD11 LEU 51 9.426 -11.296 -11.296 388 2HD1 LEU 51 HD13 LEU 51 9.817 -12.200 -12.200 389 3HD1 LEU 51 HD12 LEU 51 10.343 -10.527 -10.527 390 1HD2 LEU 51 HD21 LEU 51 12.700 -13.679 -13.679 391 2HD2 LEU 51 HD23 LEU 51 12.519 -12.891 -12.891 392 3HD2 LEU 51 HD22 LEU 51 11.179 -13.822 -13.822 393 H GLU 52 HN GLU 52 11.587 -14.976 -14.976 394 HA GLU 52 HA GLU 52 13.089 -16.371 -16.371 395 1HB GLU 52 HB2 GLU 52 12.103 -17.913 -17.913 396 2HB GLU 52 HB1 GLU 52 13.701 -17.886 -17.886 397 1HG GLU 52 HG2 GLU 52 14.128 -15.669 -15.669 398 2HG GLU 52 HG1 GLU 52 12.509 -15.661 -15.661 399 H PHE 53 HN PHE 53 9.843 -16.989 -16.989 400 HA PHE 53 HA PHE 53 9.340 -19.537 -19.537 401 1HB PHE 53 HB2 PHE 53 7.643 -18.577 -18.577 402 2HB PHE 53 HB1 PHE 53 7.539 -17.146 -17.146 403 HD1 PHE 53 HD1 PHE 53 7.507 -20.844 -20.844 404 HD2 PHE 53 HD2 PHE 53 5.515 -17.071 -17.071 405 HE1 PHE 53 HE1 PHE 53 5.785 -21.944 -21.944 406 HE2 PHE 53 HE2 PHE 53 3.786 -18.177 -18.177 407 HZ PHE 53 HZ PHE 53 3.921 -20.617 -20.617 408 H LEU 54 HN LEU 54 7.758 -16.896 -16.896 409 HA LEU 54 HA LEU 54 7.440 -18.416 -18.416 410 1HB LEU 54 HB2 LEU 54 7.492 -15.892 -15.892 411 2HB LEU 54 HB1 LEU 54 6.100 -16.596 -16.596 412 HG LEU 54 HG LEU 54 6.750 -15.578 -15.578 413 1HD1 LEU 54 HD12 LEU 54 9.193 -14.816 -14.816 414 2HD1 LEU 54 HD11 LEU 54 8.673 -13.826 -13.826 415 3HD1 LEU 54 HD13 LEU 54 9.091 -15.515 -15.515 416 1HD2 LEU 54 HD23 LEU 54 5.403 -14.290 -14.290 417 2HD2 LEU 54 HD22 LEU 54 6.358 -13.251 -13.251 418 3HD2 LEU 54 HD21 LEU 54 6.897 -13.564 -13.564 419 H LEU 55 HN LEU 55 10.303 -16.912 -16.912 420 HA LEU 55 HA LEU 55 11.652 -16.709 -16.709 421 1HB LEU 55 HB2 LEU 55 12.239 -15.678 -15.678 422 2HB LEU 55 HB1 LEU 55 13.178 -17.156 -17.156 423 HG LEU 55 HG LEU 55 13.414 -15.239 -15.239 424 1HD1 LEU 55 HD11 LEU 55 14.899 -15.433 -15.433 425 2HD1 LEU 55 HD13 LEU 55 15.676 -14.767 -14.767 426 3HD1 LEU 55 HD12 LEU 55 14.230 -14.000 -14.000 427 1HD2 LEU 55 HD23 LEU 55 14.807 -17.765 -17.765 428 2HD2 LEU 55 HD22 LEU 55 14.270 -17.283 -17.283 429 3HD2 LEU 55 HD21 LEU 55 15.708 -16.547 -16.547 430 H LEU 56 HN LEU 56 11.141 -19.220 -19.220 431 HA LEU 56 HA LEU 56 13.078 -21.135 -21.135 432 1HB LEU 56 HB2 LEU 56 10.192 -21.684 -21.684 433 2HB LEU 56 HB1 LEU 56 11.506 -22.851 -22.851 434 HG LEU 56 HG LEU 56 11.175 -20.394 -20.394 435 1HD1 LEU 56 HD12 LEU 56 11.242 -23.375 -23.375 436 2HD1 LEU 56 HD11 LEU 56 11.236 -22.146 -22.146 437 3HD1 LEU 56 HD13 LEU 56 9.854 -22.303 -22.303 438 1HD2 LEU 56 HD23 LEU 56 13.528 -22.220 -22.220 439 2HD2 LEU 56 HD22 LEU 56 13.509 -20.461 -20.461 440 3HD2 LEU 56 HD21 LEU 56 13.307 -21.445 -21.445 441 H LYS 57 HN LYS 57 9.748 -20.776 -20.776 442 HA LYS 57 HA LYS 57 9.887 -22.719 -22.719 443 1HB LYS 57 HB2 LYS 57 8.109 -20.377 -20.377 444 2HB LYS 57 HB1 LYS 57 8.000 -21.104 -21.104 445 1HG LYS 57 HG2 LYS 57 6.379 -22.187 -22.187 446 2HG LYS 57 HG1 LYS 57 7.671 -23.336 -23.336 447 1HD LYS 57 HD2 LYS 57 8.733 -22.793 -22.793 448 2HD LYS 57 HD1 LYS 57 7.446 -21.638 -21.638 449 1HE LYS 57 HE2 LYS 57 7.052 -24.612 -24.612 450 2HE LYS 57 HE1 LYS 57 7.033 -23.811 -23.811 451 1HZ LYS 57 HZ3 LYS 57 5.215 -23.084 -23.084 452 2HZ LYS 57 HZ2 LYS 57 4.805 -24.194 -24.194 453 3HZ LYS 57 HZ1 LYS 57 5.124 -22.573 -22.573 454 H GLY 58 HN GLY 58 9.054 -19.690 -19.690 455 1HA GLY 58 HA2 GLY 58 11.177 -19.892 -19.892 456 2HA GLY 58 HA1 GLY 58 10.030 -18.556 -18.556 457 H ALA 59 HN ALA 59 11.208 -16.699 -16.699 458 HA ALA 59 HA ALA 59 12.635 -16.189 -16.189 459 1HB ALA 59 HB2 ALA 59 14.403 -16.883 -16.883 460 2HB ALA 59 HB1 ALA 59 14.964 -15.990 -15.990 461 3HB ALA 59 HB3 ALA 59 14.396 -17.648 -17.648 462 H ASP 60 HN ASP 60 11.171 -14.399 -14.399 463 HA ASP 60 HA ASP 60 11.637 -12.591 -12.591 464 1HB ASP 60 HB2 ASP 60 9.484 -12.822 -12.822 465 2HB ASP 60 HB1 ASP 60 10.319 -11.906 -11.906 466 H ILE 61 HN ILE 61 13.514 -13.528 -13.528 467 HA ILE 61 HA ILE 61 14.534 -11.380 -11.380 468 HB ILE 61 HB ILE 61 15.237 -13.823 -13.823 469 1HG1 ILE 61 HG12 ILE 61 17.284 -11.596 -11.596 470 2HG1 ILE 61 HG11 ILE 61 16.513 -12.300 -12.300 471 1HG2 ILE 61 HG23 ILE 61 15.613 -13.767 -13.767 472 2HG2 ILE 61 HG22 ILE 61 17.168 -13.031 -13.031 473 3HG2 ILE 61 HG21 ILE 61 16.788 -14.649 -14.649 474 1HD1 ILE 61 HD11 ILE 61 17.651 -14.525 -14.525 475 2HD1 ILE 61 HD13 ILE 61 18.809 -13.295 -13.295 476 3HD1 ILE 61 HD12 ILE 61 18.442 -13.508 -13.508 477 H ASN 62 HN ASN 62 14.794 -12.066 -12.066 478 HA ASN 62 HA ASN 62 16.409 -9.595 -9.595 479 1HB ASN 62 HB2 ASN 62 17.596 -10.825 -10.825 480 2HB ASN 62 HB1 ASN 62 17.970 -11.402 -11.402 481 1HD2 ASN 62 HD21 ASN 62 14.881 -12.449 -12.449 482 2HD2 ASN 62 HD22 ASN 62 15.170 -13.978 -13.978 483 H ALA 63 HN ALA 63 14.026 -11.799 -11.799 484 HA ALA 63 HA ALA 63 13.369 -11.284 -11.284 485 1HB ALA 63 HB2 ALA 63 11.444 -10.876 -10.876 486 2HB ALA 63 HB1 ALA 63 10.962 -11.027 -11.027 487 3HB ALA 63 HB3 ALA 63 11.777 -12.364 -12.364 488 HA PRO 64 HA PRO 64 11.362 -6.713 -6.713 489 1HB PRO 64 HB2 PRO 64 14.168 -6.142 -6.142 490 2HB PRO 64 HB1 PRO 64 12.645 -5.425 -5.425 491 1HG PRO 64 HG2 PRO 64 14.016 -7.591 -7.591 492 2HG PRO 64 HG1 PRO 64 12.360 -7.074 -7.074 493 1HD PRO 64 HD2 PRO 64 13.081 -9.547 -9.547 494 2HD PRO 64 HD1 PRO 64 11.455 -8.840 -8.840 495 H ASP 65 HN ASP 65 11.253 -5.448 -5.448 496 HA ASP 65 HA ASP 65 13.511 -5.247 -5.247 497 1HB ASP 65 HB2 ASP 65 10.600 -5.873 -5.873 498 2HB ASP 65 HB1 ASP 65 11.704 -5.309 -5.309 499 H LYS 66 HN LYS 66 10.199 -3.988 -3.988 500 HA LYS 66 HA LYS 66 11.010 -1.320 -1.320 501 1HB LYS 66 HB2 LYS 66 8.759 -2.533 -2.533 502 2HB LYS 66 HB1 LYS 66 8.359 -2.059 -2.059 503 1HG LYS 66 HG2 LYS 66 7.546 -0.369 -0.369 504 2HG LYS 66 HG1 LYS 66 8.911 0.300 0.300 505 1HD LYS 66 HD2 LYS 66 10.227 0.422 0.422 506 2HD LYS 66 HD1 LYS 66 9.535 -1.040 -1.040 507 1HE LYS 66 HE2 LYS 66 8.905 0.975 0.975 508 2HE LYS 66 HE1 LYS 66 7.492 0.188 0.188 509 1HZ LYS 66 HZ1 LYS 66 8.585 2.067 2.067 510 2HZ LYS 66 HZ3 LYS 66 8.276 2.816 2.816 511 3HZ LYS 66 HZ2 LYS 66 7.025 2.008 2.008 512 H HIS 67 HN HIS 67 10.778 -3.096 -3.096 513 HA HIS 67 HA HIS 67 10.433 -0.792 -0.792 514 1HB HIS 67 HB2 HIS 67 11.553 -3.438 -3.438 515 2HB HIS 67 HB1 HIS 67 10.460 -2.358 -2.358 516 HD1 HIS 67 HD1 HIS 67 9.848 -5.415 -5.415 517 HD2 HIS 67 HD2 HIS 67 8.378 -2.260 -2.260 518 HE1 HIS 67 HE1 HIS 67 7.748 -6.268 -6.268 519 H HIS 68 HN HIS 68 12.862 -1.804 -1.804 520 HA HIS 68 HA HIS 68 15.218 -1.650 -1.650 521 1HB HIS 68 HB2 HIS 68 15.918 0.628 0.628 522 2HB HIS 68 HB1 HIS 68 14.322 0.671 0.671 523 HD1 HIS 68 HD1 HIS 68 15.782 0.678 0.678 524 HD2 HIS 68 HD2 HIS 68 12.525 2.207 2.207 525 HE1 HIS 68 HE1 HIS 68 14.492 2.126 2.126 526 H ILE 69 HN ILE 69 14.015 -2.882 -2.882 527 HA ILE 69 HA ILE 69 16.493 -2.655 -2.655 528 HB ILE 69 HB ILE 69 14.436 -0.876 -0.876 529 1HG1 ILE 69 HG12 ILE 69 16.851 -0.626 -0.626 530 2HG1 ILE 69 HG11 ILE 69 15.900 -0.315 -0.315 531 1HG2 ILE 69 HG23 ILE 69 13.198 -2.730 -2.730 532 2HG2 ILE 69 HG22 ILE 69 14.602 -3.065 -3.065 533 3HG2 ILE 69 HG21 ILE 69 13.747 -1.538 -1.538 534 1HD1 ILE 69 HD11 ILE 69 16.320 -2.900 -2.900 535 2HD1 ILE 69 HD13 ILE 69 17.706 -2.628 -2.628 536 3HD1 ILE 69 HD12 ILE 69 17.531 -1.706 -1.706 537 H THR 70 HN THR 70 16.702 -4.131 -4.131 538 HA THR 70 HA THR 70 14.915 -6.481 -6.481 539 HB THR 70 HB THR 70 17.004 -7.300 -7.300 540 HG1 THR 70 HG1 THR 70 16.740 -7.335 -7.335 541 1HG2 THR 70 HG21 THR 70 18.081 -5.105 -5.105 542 2HG2 THR 70 HG23 THR 70 19.115 -6.327 -6.327 543 3HG2 THR 70 HG22 THR 70 18.184 -5.230 -5.230 544 HA PRO 71 HA PRO 71 13.617 -5.760 -5.760 545 1HB PRO 71 HB2 PRO 71 13.730 -8.519 -8.519 546 2HB PRO 71 HB1 PRO 71 12.325 -7.587 -7.587 547 1HG PRO 71 HG2 PRO 71 13.438 -9.707 -9.707 548 2HG PRO 71 HG1 PRO 71 12.448 -8.424 -8.424 549 1HD PRO 71 HD2 PRO 71 15.420 -8.746 -8.746 550 2HD PRO 71 HD1 PRO 71 14.351 -8.074 -8.074 551 H LEU 72 HN LEU 72 16.825 -7.289 -7.289 552 HA LEU 72 HA LEU 72 17.170 -7.466 -7.466 553 1HB LEU 72 HB2 LEU 72 19.577 -6.362 -6.362 554 2HB LEU 72 HB1 LEU 72 19.392 -7.811 -7.811 555 HG LEU 72 HG LEU 72 20.061 -8.612 -8.612 556 1HD1 LEU 72 HD11 LEU 72 17.160 -8.908 -8.908 557 2HD1 LEU 72 HD13 LEU 72 17.700 -9.324 -9.324 558 3HD1 LEU 72 HD12 LEU 72 18.411 -10.121 -10.121 559 1HD2 LEU 72 HD21 LEU 72 18.173 -6.612 -6.612 560 2HD2 LEU 72 HD23 LEU 72 19.935 -6.584 -6.584 561 3HD2 LEU 72 HD22 LEU 72 19.065 -7.842 -7.842 562 H LEU 73 HN LEU 73 17.329 -4.661 -4.661 563 HA LEU 73 HA LEU 73 18.184 -2.887 -2.887 564 1HB LEU 73 HB2 LEU 73 16.854 -2.180 -2.180 565 2HB LEU 73 HB1 LEU 73 17.687 -1.063 -1.063 566 HG LEU 73 HG LEU 73 19.681 -2.782 -2.782 567 1HD1 LEU 73 HD13 LEU 73 17.754 -3.768 -3.768 568 2HD1 LEU 73 HD12 LEU 73 19.217 -3.244 -3.244 569 3HD1 LEU 73 HD11 LEU 73 19.312 -4.444 -4.444 570 1HD2 LEU 73 HD21 LEU 73 18.803 -0.611 -0.611 571 2HD2 LEU 73 HD23 LEU 73 20.109 -0.608 -0.608 572 3HD2 LEU 73 HD22 LEU 73 20.284 -1.512 -1.512 573 H SER 74 HN SER 74 15.127 -4.168 -4.168 574 HA SER 74 HA SER 74 13.431 -2.156 -2.156 575 1HB SER 74 HB2 SER 74 12.291 -3.774 -3.774 576 2HB SER 74 HB1 SER 74 13.123 -5.106 -5.106 577 HG SER 74 HG SER 74 11.960 -4.542 -4.542 578 H ALA 75 HN ALA 75 14.848 -5.028 -5.028 579 HA ALA 75 HA ALA 75 13.727 -4.367 -4.367 580 1HB ALA 75 HB1 ALA 75 15.998 -6.208 -6.208 581 2HB ALA 75 HB3 ALA 75 15.349 -6.083 -6.083 582 3HB ALA 75 HB2 ALA 75 14.326 -6.665 -6.665 583 H VAL 76 HN VAL 76 16.707 -3.594 -3.594 584 HA VAL 76 HA VAL 76 18.423 -2.743 -2.743 585 HB VAL 76 HB VAL 76 17.746 -1.662 -1.662 586 1HG1 VAL 76 HG13 VAL 76 19.029 -0.100 -0.100 587 2HG1 VAL 76 HG12 VAL 76 20.172 -0.446 -0.446 588 3HG1 VAL 76 HG11 VAL 76 18.645 0.353 0.353 589 1HG2 VAL 76 HG22 VAL 76 19.043 -3.738 -3.738 590 2HG2 VAL 76 HG21 VAL 76 20.045 -2.457 -2.457 591 3HG2 VAL 76 HG23 VAL 76 20.220 -2.905 -2.905 592 H TYR 77 HN TYR 77 16.227 -0.379 -0.379 593 HA TYR 77 HA TYR 77 16.372 1.384 1.384 594 1HB TYR 77 HB2 TYR 77 14.120 1.719 1.719 595 2HB TYR 77 HB1 TYR 77 15.298 2.902 2.902 596 HD1 TYR 77 HD1 TYR 77 14.594 0.257 0.257 597 HD2 TYR 77 HD2 TYR 77 17.453 3.175 3.175 598 HE1 TYR 77 HE1 TYR 77 15.834 0.026 0.026 599 HE2 TYR 77 HE2 TYR 77 18.686 2.936 2.936 600 HH TYR 77 HH TYR 77 17.396 1.263 1.263 601 H GLU 78 HN GLU 78 15.580 -1.030 -1.030 602 HA GLU 78 HA GLU 78 12.721 -0.510 -0.510 603 1HB GLU 78 HB2 GLU 78 13.172 -2.489 -2.489 604 2HB GLU 78 HB1 GLU 78 13.806 -3.312 -3.312 605 1HG GLU 78 HG2 GLU 78 11.472 -3.889 -3.889 606 2HG GLU 78 HG1 GLU 78 11.639 -2.786 -2.786 607 H GLY 79 HN GLY 79 15.903 -1.603 -1.603 608 1HA GLY 79 HA2 GLY 79 16.747 -1.632 -1.632 609 2HA GLY 79 HA1 GLY 79 15.111 -1.296 -1.296 610 H HIS 80 HN HIS 80 14.624 -3.596 -3.596 611 HA HIS 80 HA HIS 80 14.330 -5.707 -5.707 612 1HB HIS 80 HB2 HIS 80 13.652 -5.352 -5.352 613 2HB HIS 80 HB1 HIS 80 13.774 -6.999 -6.999 614 HD1 HIS 80 HD1 HIS 80 11.426 -7.755 -7.755 615 HD2 HIS 80 HD2 HIS 80 12.056 -3.833 -3.833 616 HE1 HIS 80 HE1 HIS 80 9.309 -7.040 -7.040 617 H VAL 81 HN VAL 81 16.155 -5.337 -5.337 618 HA VAL 81 HA VAL 81 17.960 -6.645 -6.645 619 HB VAL 81 HB VAL 81 19.896 -6.250 -6.250 620 1HG1 VAL 81 HG12 VAL 81 18.399 -4.305 -4.305 621 2HG1 VAL 81 HG11 VAL 81 19.785 -3.754 -3.754 622 3HG1 VAL 81 HG13 VAL 81 19.987 -5.028 -5.028 623 1HG2 VAL 81 HG22 VAL 81 18.278 -5.669 -5.669 624 2HG2 VAL 81 HG21 VAL 81 19.358 -4.329 -4.329 625 3HG2 VAL 81 HG23 VAL 81 17.703 -4.316 -4.316 626 H SER 82 HN SER 82 16.029 -8.075 -8.075 627 HA SER 82 HA SER 82 17.795 -10.188 -10.188 628 1HB SER 82 HB2 SER 82 14.914 -9.448 -9.448 629 2HB SER 82 HB1 SER 82 15.263 -11.174 -11.174 630 HG SER 82 HG SER 82 15.615 -10.687 -10.687 631 H CYS 83 HN CYS 83 15.812 -9.327 -9.327 632 HA CYS 83 HA CYS 83 15.721 -11.992 -11.992 633 1HB CYS 83 HB2 CYS 83 14.938 -10.271 -10.271 634 2HB CYS 83 HB1 CYS 83 13.855 -10.871 -10.871 635 HG CYS 83 HG CYS 83 13.761 -8.609 -8.609 636 H VAL 84 HN VAL 84 17.405 -8.888 -8.888 637 HA VAL 84 HA VAL 84 18.804 -9.447 -9.447 638 HB VAL 84 HB VAL 84 20.586 -7.988 -7.988 639 1HG1 VAL 84 HG11 VAL 84 17.753 -7.234 -7.234 640 2HG1 VAL 84 HG13 VAL 84 19.086 -6.097 -6.097 641 3HG1 VAL 84 HG12 VAL 84 18.705 -6.733 -6.733 642 1HG2 VAL 84 HG23 VAL 84 19.333 -8.706 -8.706 643 2HG2 VAL 84 HG22 VAL 84 21.037 -8.706 -8.706 644 3HG2 VAL 84 HG21 VAL 84 20.198 -7.182 -7.182 645 H LYS 85 HN LYS 85 19.530 -10.460 -10.460 646 HA LYS 85 HA LYS 85 22.008 -11.675 -11.675 647 1HB LYS 85 HB2 LYS 85 19.979 -11.605 -11.605 648 2HB LYS 85 HB1 LYS 85 20.406 -13.294 -13.294 649 1HG LYS 85 HG2 LYS 85 21.917 -12.498 -12.498 650 2HG LYS 85 HG1 LYS 85 22.859 -12.526 -12.526 651 1HD LYS 85 HD2 LYS 85 22.133 -10.067 -10.067 652 2HD LYS 85 HD1 LYS 85 21.637 -10.140 -10.140 653 1HE LYS 85 HE2 LYS 85 23.925 -9.279 -9.279 654 2HE LYS 85 HE1 LYS 85 23.934 -10.863 -10.863 655 1HZ LYS 85 HZ2 LYS 85 24.307 -10.579 -10.579 656 2HZ LYS 85 HZ1 LYS 85 25.617 -10.428 -10.428 657 3HZ LYS 85 HZ3 LYS 85 24.740 -11.878 -11.878 658 H LEU 86 HN LEU 86 19.042 -13.703 -13.703 659 HA LEU 86 HA LEU 86 20.308 -15.895 -15.895 660 1HB LEU 86 HB2 LEU 86 18.412 -17.086 -17.086 661 2HB LEU 86 HB1 LEU 86 18.132 -15.757 -15.757 662 HG LEU 86 HG LEU 86 16.107 -16.097 -16.097 663 1HD1 LEU 86 HD11 LEU 86 17.255 -13.682 -13.682 664 2HD1 LEU 86 HD13 LEU 86 17.051 -13.867 -13.867 665 3HD1 LEU 86 HD12 LEU 86 15.654 -13.967 -13.967 666 1HD2 LEU 86 HD23 LEU 86 17.632 -17.132 -17.132 667 2HD2 LEU 86 HD22 LEU 86 15.899 -16.839 -16.839 668 3HD2 LEU 86 HD21 LEU 86 17.014 -15.634 -15.634 669 H LEU 87 HN LEU 87 19.364 -13.017 -13.017 670 HA LEU 87 HA LEU 87 18.294 -13.984 -13.984 671 1HB LEU 87 HB2 LEU 87 18.782 -11.468 -11.468 672 2HB LEU 87 HB1 LEU 87 19.539 -11.425 -11.425 673 HG LEU 87 HG LEU 87 16.682 -12.258 -12.258 674 1HD1 LEU 87 HD11 LEU 87 17.913 -9.685 -9.685 675 2HD1 LEU 87 HD13 LEU 87 16.214 -10.087 -10.087 676 3HD1 LEU 87 HD12 LEU 87 16.845 -9.899 -9.899 677 1HD2 LEU 87 HD23 LEU 87 18.454 -12.275 -12.275 678 2HD2 LEU 87 HD22 LEU 87 17.066 -13.295 -13.295 679 3HD2 LEU 87 HD21 LEU 87 16.817 -11.670 -11.670 680 H LEU 88 HN LEU 88 21.312 -12.050 -12.050 681 HA LEU 88 HA LEU 88 22.333 -13.115 -13.115 682 1HB LEU 88 HB2 LEU 88 24.473 -12.225 -12.225 683 2HB LEU 88 HB1 LEU 88 23.285 -11.108 -11.108 684 HG LEU 88 HG LEU 88 24.946 -11.342 -11.342 685 1HD1 LEU 88 HD12 LEU 88 22.515 -11.603 -11.603 686 2HD1 LEU 88 HD11 LEU 88 22.847 -13.326 -13.326 687 3HD1 LEU 88 HD13 LEU 88 23.722 -12.164 -12.164 688 1HD2 LEU 88 HD23 LEU 88 25.535 -13.771 -13.771 689 2HD2 LEU 88 HD22 LEU 88 26.178 -13.206 -13.206 690 3HD2 LEU 88 HD21 LEU 88 24.774 -14.270 -14.270 691 H SER 89 HN SER 89 21.948 -14.716 -14.716 692 HA SER 89 HA SER 89 24.109 -16.566 -16.566 693 1HB SER 89 HB2 SER 89 22.221 -16.293 -16.293 694 2HB SER 89 HB1 SER 89 21.276 -17.342 -17.342 695 HG SER 89 HG SER 89 23.658 -17.872 -17.872 696 H LYS 90 HN LYS 90 21.625 -15.930 -15.930 697 HA LYS 90 HA LYS 90 21.846 -18.596 -18.596 698 1HB LYS 90 HB2 LYS 90 19.826 -16.412 -16.412 699 2HB LYS 90 HB1 LYS 90 19.747 -18.100 -18.100 700 1HG LYS 90 HG2 LYS 90 20.033 -18.104 -18.104 701 2HG LYS 90 HG1 LYS 90 18.808 -16.899 -16.899 702 1HD LYS 90 HD2 LYS 90 18.750 -19.671 -19.671 703 2HD LYS 90 HD1 LYS 90 17.980 -19.300 -19.300 704 1HE LYS 90 HE2 LYS 90 17.365 -17.442 -17.442 705 2HE LYS 90 HE1 LYS 90 16.690 -19.066 -19.066 706 1HZ LYS 90 HZ3 LYS 90 16.269 -18.346 -18.346 707 2HZ LYS 90 HZ2 LYS 90 15.949 -16.921 -16.921 708 3HZ LYS 90 HZ1 LYS 90 15.111 -18.353 -18.353 709 H GLY 91 HN GLY 91 22.240 -15.156 -15.156 710 1HA GLY 91 HA2 GLY 91 24.285 -14.868 -14.868 711 2HA GLY 91 HA1 GLY 91 23.029 -15.361 -15.361 712 H ALA 92 HN ALA 92 21.288 -13.938 -13.938 713 HA ALA 92 HA ALA 92 20.433 -11.772 -11.772 714 1HB ALA 92 HB1 ALA 92 20.387 -12.405 -12.405 715 2HB ALA 92 HB3 ALA 92 20.759 -10.690 -10.690 716 3HB ALA 92 HB2 ALA 92 19.294 -11.342 -11.342 717 H ASP 93 HN ASP 93 23.599 -12.202 -12.202 718 HA ASP 93 HA ASP 93 25.486 -10.748 -10.748 719 1HB ASP 93 HB2 ASP 93 24.609 -10.539 -10.539 720 2HB ASP 93 HB1 ASP 93 23.725 -9.106 -9.106 721 H LYS 94 HN LYS 94 24.326 -7.767 -7.767 722 HA LYS 94 HA LYS 94 23.178 -7.036 -7.036 723 1HB LYS 94 HB2 LYS 94 25.462 -7.315 -7.315 724 2HB LYS 94 HB1 LYS 94 26.076 -6.331 -6.331 725 1HG LYS 94 HG2 LYS 94 25.969 -4.985 -4.985 726 2HG LYS 94 HG1 LYS 94 24.793 -4.402 -4.402 727 1HD LYS 94 HD2 LYS 94 23.744 -6.487 -6.487 728 2HD LYS 94 HD1 LYS 94 24.216 -4.996 -4.996 729 1HE LYS 94 HE2 LYS 94 22.848 -3.895 -3.895 730 2HE LYS 94 HE1 LYS 94 22.034 -5.456 -5.456 731 1HZ LYS 94 HZ3 LYS 94 22.468 -4.133 -4.133 732 2HZ LYS 94 HZ2 LYS 94 21.307 -3.447 -3.447 733 3HZ LYS 94 HZ1 LYS 94 21.155 -5.064 -5.064 734 H THR 95 HN THR 95 24.963 -6.013 -6.013 735 HA THR 95 HA THR 95 23.059 -3.725 -3.725 736 HB THR 95 HB THR 95 25.644 -3.333 -3.333 737 HG1 THR 95 HG1 THR 95 25.603 -3.533 -3.533 738 1HG2 THR 95 HG23 THR 95 24.018 -1.819 -1.819 739 2HG2 THR 95 HG22 THR 95 25.532 -1.218 -1.218 740 3HG2 THR 95 HG21 THR 95 24.144 -1.484 -1.484 741 H VAL 96 HN VAL 96 22.508 -6.217 -6.217 742 HA VAL 96 HA VAL 96 23.460 -6.445 -6.445 743 HB VAL 96 HB VAL 96 21.878 -8.041 -8.041 744 1HG1 VAL 96 HG13 VAL 96 21.110 -8.077 -8.077 745 2HG1 VAL 96 HG12 VAL 96 20.661 -9.315 -9.315 746 3HG1 VAL 96 HG11 VAL 96 20.054 -7.671 -7.671 747 1HG2 VAL 96 HG23 VAL 96 24.185 -8.522 -8.522 748 2HG2 VAL 96 HG22 VAL 96 23.040 -9.861 -9.861 749 3HG2 VAL 96 HG21 VAL 96 23.379 -8.904 -8.904 750 H LYS 97 HN LYS 97 21.139 -4.503 -4.503 751 HA LYS 97 HA LYS 97 20.105 -3.702 -3.702 752 1HB LYS 97 HB2 LYS 97 18.537 -5.421 -5.421 753 2HB LYS 97 HB1 LYS 97 17.675 -3.987 -3.987 754 1HG LYS 97 HG2 LYS 97 18.476 -4.611 -4.611 755 2HG LYS 97 HG1 LYS 97 18.922 -6.172 -6.172 756 1HD LYS 97 HD2 LYS 97 16.761 -6.628 -6.628 757 2HD LYS 97 HD1 LYS 97 16.451 -6.099 -6.099 758 1HE LYS 97 HE2 LYS 97 14.907 -4.832 -4.832 759 2HE LYS 97 HE1 LYS 97 16.259 -3.715 -3.715 760 1HZ LYS 97 HZ1 LYS 97 16.752 -5.270 -5.270 761 2HZ LYS 97 HZ3 LYS 97 15.134 -4.770 -4.770 762 3HZ LYS 97 HZ2 LYS 97 16.369 -3.615 -3.615 763 H GLY 98 HN GLY 98 20.950 -2.838 -2.838 764 1HA GLY 98 HA2 GLY 98 19.062 -0.652 -0.652 765 2HA GLY 98 HA1 GLY 98 20.596 -0.843 -0.843 766 HA PRO 99 HA PRO 99 20.739 2.573 2.573 767 1HB PRO 99 HB2 PRO 99 21.917 4.234 4.234 768 2HB PRO 99 HB1 PRO 99 20.402 4.495 4.495 769 1HG PRO 99 HG2 PRO 99 20.768 3.586 3.586 770 2HG PRO 99 HG1 PRO 99 19.254 3.974 3.974 771 1HD PRO 99 HD2 PRO 99 20.154 1.379 1.379 772 2HD PRO 99 HD1 PRO 99 18.780 1.750 1.750 773 H ASP 100 HN ASP 100 23.056 2.889 2.889 774 HA ASP 100 HA ASP 100 25.094 1.463 1.463 775 1HB ASP 100 HB2 ASP 100 25.150 3.979 3.979 776 2HB ASP 100 HB1 ASP 100 25.652 4.188 4.188 777 H GLY 101 HN GLY 101 26.945 2.904 2.904 778 1HA GLY 101 HA2 GLY 101 27.204 0.767 0.767 779 2HA GLY 101 HA1 GLY 101 27.881 2.374 2.374 780 H LEU 102 HN LEU 102 24.546 2.696 2.696 781 HA LEU 102 HA LEU 102 24.027 3.648 3.648 782 1HB LEU 102 HB2 LEU 102 22.449 3.857 3.857 783 2HB LEU 102 HB1 LEU 102 22.019 2.167 2.167 784 HG LEU 102 HG LEU 102 21.572 4.416 4.416 785 1HD1 LEU 102 HD13 LEU 102 19.757 2.759 2.759 786 2HD1 LEU 102 HD12 LEU 102 19.167 3.681 3.681 787 3HD1 LEU 102 HD11 LEU 102 19.928 4.515 4.515 788 1HD2 LEU 102 HD21 LEU 102 21.224 1.427 1.427 789 2HD2 LEU 102 HD23 LEU 102 21.945 2.551 2.551 790 3HD2 LEU 102 HD22 LEU 102 20.203 2.528 2.528 791 H THR 103 HN THR 103 22.870 0.478 0.478 792 HA THR 103 HA THR 103 22.127 -1.226 -1.226 793 HB THR 103 HB THR 103 24.068 -2.242 -2.242 794 HG1 THR 103 HG1 THR 103 25.245 -2.855 -2.855 795 1HG2 THR 103 HG22 THR 103 25.560 -0.071 -0.071 796 2HG2 THR 103 HG21 THR 103 26.371 -1.501 -1.501 797 3HG2 THR 103 HG23 THR 103 25.545 -0.394 -0.394 798 H ALA 104 HN ALA 104 24.776 -1.030 -1.030 799 HA ALA 104 HA ALA 104 23.081 -0.043 -0.043 800 1HB ALA 104 HB1 ALA 104 25.633 -1.594 -1.594 801 2HB ALA 104 HB3 ALA 104 25.242 -0.784 -0.784 802 3HB ALA 104 HB2 ALA 104 24.151 -2.007 -2.007 803 H LEU 105 HN LEU 105 25.904 0.959 0.959 804 HA LEU 105 HA LEU 105 27.113 2.744 2.744 805 1HB LEU 105 HB2 LEU 105 26.730 3.321 3.321 806 2HB LEU 105 HB1 LEU 105 28.058 3.814 3.814 807 HG LEU 105 HG LEU 105 27.408 0.999 0.999 808 1HD1 LEU 105 HD12 LEU 105 28.550 2.556 2.556 809 2HD1 LEU 105 HD11 LEU 105 29.860 2.721 2.721 810 3HD1 LEU 105 HD13 LEU 105 29.521 1.151 1.151 811 1HD2 LEU 105 HD21 LEU 105 29.386 2.080 2.080 812 2HD2 LEU 105 HD23 LEU 105 28.205 0.789 0.789 813 3HD2 LEU 105 HD22 LEU 105 29.621 0.524 0.524 814 H GLU 106 HN GLU 106 24.962 3.929 3.929 815 HA GLU 106 HA GLU 106 24.596 6.403 6.403 816 1HB GLU 106 HB2 GLU 106 23.120 5.459 5.459 817 2HB GLU 106 HB1 GLU 106 23.346 7.117 7.117 818 1HG GLU 106 HG2 GLU 106 25.644 5.281 5.281 819 2HG GLU 106 HG1 GLU 106 24.890 6.378 6.378 820 H ALA 107 HN ALA 107 23.206 3.437 3.437 821 HA ALA 107 HA ALA 107 20.438 4.295 4.295 822 1HB ALA 107 HB1 ALA 107 21.902 1.809 1.809 823 2HB ALA 107 HB3 ALA 107 20.182 2.064 2.064 824 3HB ALA 107 HB2 ALA 107 20.796 1.982 1.982 825 H THR 108 HN THR 108 23.051 3.589 3.589 826 HA THR 108 HA THR 108 21.618 5.348 5.348 827 HB THR 108 HB THR 108 20.528 3.139 3.139 828 HG1 THR 108 HG1 THR 108 20.726 4.366 4.366 829 1HG2 THR 108 HG23 THR 108 22.776 2.004 2.004 830 2HG2 THR 108 HG22 THR 108 23.148 2.070 2.070 831 3HG2 THR 108 HG21 THR 108 21.734 1.183 1.183 832 H ASP 109 HN ASP 109 22.768 4.229 4.229 833 HA ASP 109 HA ASP 109 25.683 4.310 4.310 834 1HB ASP 109 HB2 ASP 109 25.014 6.691 6.691 835 2HB ASP 109 HB1 ASP 109 24.206 6.221 6.221 836 H ASN 110 HN ASN 110 22.962 2.908 2.908 837 HA ASN 110 HA ASN 110 23.989 2.285 2.285 838 1HB ASN 110 HB2 ASN 110 22.113 0.702 0.702 839 2HB ASN 110 HB1 ASN 110 21.536 2.258 2.258 840 1HD2 ASN 110 HD21 ASN 110 23.192 1.095 1.095 841 2HD2 ASN 110 HD22 ASN 110 21.960 0.250 0.250 842 H GLN 111 HN GLN 111 25.203 0.521 0.521 843 HA GLN 111 HA GLN 111 26.729 -0.661 -0.661 844 1HB GLN 111 HB2 GLN 111 27.869 -0.215 -0.215 845 2HB GLN 111 HB1 GLN 111 26.634 -0.972 -0.972 846 1HG GLN 111 HG2 GLN 111 27.317 -3.158 -3.158 847 2HG GLN 111 HG1 GLN 111 28.272 -2.549 -2.549 848 1HE2 GLN 111 HE21 GLN 111 29.670 -4.133 -4.133 849 2HE2 GLN 111 HE22 GLN 111 30.680 -3.190 -3.190 850 H ALA 112 HN ALA 112 23.648 -1.537 -1.537 851 HA ALA 112 HA ALA 112 24.046 -4.440 -4.440 852 1HB ALA 112 HB1 ALA 112 22.082 -3.281 -3.281 853 2HB ALA 112 HB3 ALA 112 21.474 -2.942 -2.942 854 3HB ALA 112 HB2 ALA 112 21.646 -4.610 -4.610 855 H ILE 113 HN ILE 113 22.650 -2.101 -2.101 856 HA ILE 113 HA ILE 113 22.352 -3.876 -3.876 857 HB ILE 113 HB ILE 113 22.561 -0.886 -0.886 858 1HG1 ILE 113 HG12 ILE 113 20.276 -1.281 -1.281 859 2HG1 ILE 113 HG11 ILE 113 20.408 -2.874 -2.874 860 1HG2 ILE 113 HG21 ILE 113 22.604 -2.465 -2.465 861 2HG2 ILE 113 HG23 ILE 113 21.966 -0.821 -0.821 862 3HG2 ILE 113 HG22 ILE 113 23.641 -1.128 -1.128 863 1HD1 ILE 113 HD13 ILE 113 20.856 -1.623 -1.623 864 2HD1 ILE 113 HD12 ILE 113 20.259 -0.191 -0.191 865 3HD1 ILE 113 HD11 ILE 113 19.203 -1.583 -1.583 866 H LYS 114 HN LYS 114 24.777 -1.451 -1.451 867 HA LYS 114 HA LYS 114 26.497 -1.758 -1.758 868 1HB LYS 114 HB2 LYS 114 27.368 -1.377 -1.377 869 2HB LYS 114 HB1 LYS 114 28.258 -0.884 -0.884 870 1HG LYS 114 HG2 LYS 114 25.470 0.139 0.139 871 2HG LYS 114 HG1 LYS 114 26.909 0.957 0.957 872 1HD LYS 114 HD2 LYS 114 27.704 0.881 0.881 873 2HD LYS 114 HD1 LYS 114 26.008 0.568 0.568 874 1HE LYS 114 HE2 LYS 114 26.370 2.955 2.955 875 2HE LYS 114 HE1 LYS 114 25.413 2.623 2.623 876 1HZ LYS 114 HZ3 LYS 114 28.319 2.628 2.628 877 2HZ LYS 114 HZ2 LYS 114 27.558 4.131 4.131 878 3HZ LYS 114 HZ1 LYS 114 27.126 3.135 3.135 879 H ALA 115 HN ALA 115 25.637 -4.039 -4.039 880 HA ALA 115 HA ALA 115 28.010 -5.657 -5.657 881 1HB ALA 115 HB3 ALA 115 25.979 -5.819 -5.819 882 2HB ALA 115 HB2 ALA 115 25.216 -6.756 -6.756 883 3HB ALA 115 HB1 ALA 115 26.709 -7.330 -7.330 884 H LEU 116 HN LEU 116 25.106 -5.549 -5.549 885 HA LEU 116 HA LEU 116 25.876 -7.865 -7.865 886 1HB LEU 116 HB2 LEU 116 24.013 -5.556 -5.556 887 2HB LEU 116 HB1 LEU 116 24.615 -6.285 -6.285 888 HG LEU 116 HG LEU 116 23.089 -7.677 -7.677 889 1HD1 LEU 116 HD13 LEU 116 22.493 -6.892 -6.892 890 2HD1 LEU 116 HD12 LEU 116 21.561 -8.133 -8.133 891 3HD1 LEU 116 HD11 LEU 116 21.583 -6.481 -6.481 892 1HD2 LEU 116 HD21 LEU 116 24.811 -8.731 -8.731 893 2HD2 LEU 116 HD23 LEU 116 24.325 -9.492 -9.492 894 3HD2 LEU 116 HD22 LEU 116 23.224 -9.484 -9.484 895 H LEU 117 HN LEU 117 27.054 -4.709 -4.709 896 HA LEU 117 HA LEU 117 28.469 -4.617 -4.617 897 1HB LEU 117 HB2 LEU 117 27.671 -2.677 -2.677 898 2HB LEU 117 HB1 LEU 117 29.345 -2.887 -2.887 899 HG LEU 117 HG LEU 117 29.185 -1.134 -1.134 900 1HD1 LEU 117 HD12 LEU 117 31.139 -2.757 -2.757 901 2HD1 LEU 117 HD11 LEU 117 30.372 -3.603 -3.603 902 3HD1 LEU 117 HD13 LEU 117 30.893 -1.931 -1.931 903 1HD2 LEU 117 HD23 LEU 117 27.268 -2.913 -2.913 904 2HD2 LEU 117 HD22 LEU 117 27.719 -1.301 -1.301 905 3HD2 LEU 117 HD21 LEU 117 28.573 -2.711 -2.711 906 H GLN 118 HN GLN 118 28.680 -6.298 -6.298 907 HA GLN 118 HA GLN 118 31.530 -6.298 -6.298 908 1HB GLN 118 HB2 GLN 118 29.704 -6.851 -6.851 909 2HB GLN 118 HB1 GLN 118 29.548 -8.390 -8.390 910 1HG GLN 118 HG2 GLN 118 31.875 -8.868 -8.868 911 2HG GLN 118 HG1 GLN 118 32.093 -7.320 -7.320 912 1HE2 GLN 118 HE21 GLN 118 29.025 -8.371 -8.371 913 2HE2 GLN 118 HE22 GLN 118 29.360 -9.171 -9.171 Start of MODEL 31 1 1H MET 1 HT2 MET 1 -10.489 -8.481 -8.481 2 2H MET 1 HT1 MET 1 -11.623 -9.059 -9.059 3 3H MET 1 HT3 MET 1 -11.967 -7.671 -7.671 4 HA MET 1 HA MET 1 -12.261 -8.869 -8.869 5 1HB MET 1 HB2 MET 1 -13.332 -10.487 -10.487 6 2HB MET 1 HB1 MET 1 -13.884 -10.653 -10.653 7 1HG MET 1 HG2 MET 1 -15.436 -9.157 -9.157 8 2HG MET 1 HG1 MET 1 -14.342 -8.115 -8.115 9 1HE MET 1 HE1 MET 1 -16.184 -7.101 -7.101 10 2HE MET 1 HE3 MET 1 -14.955 -5.862 -5.862 11 3HE MET 1 HE2 MET 1 -15.435 -6.262 -6.262 12 H CYS 2 HN CYS 2 -9.569 -9.520 -9.520 13 HA CYS 2 HA CYS 2 -9.302 -12.088 -12.088 14 1HB CYS 2 HB2 CYS 2 -9.899 -12.740 -12.740 15 2HB CYS 2 HB1 CYS 2 -8.442 -11.912 -11.912 16 HG CYS 2 HG CYS 2 -7.329 -14.076 -14.076 17 H ASP 3 HN ASP 3 -7.612 -9.831 -9.831 18 HA ASP 3 HA ASP 3 -4.981 -10.243 -10.243 19 1HB ASP 3 HB2 ASP 3 -6.086 -7.449 -7.449 20 2HB ASP 3 HB1 ASP 3 -4.497 -8.046 -8.046 21 H LYS 4 HN LYS 4 -7.470 -8.515 -8.515 22 HA LYS 4 HA LYS 4 -6.000 -7.244 -7.244 23 1HB LYS 4 HB2 LYS 4 -8.608 -8.691 -8.691 24 2HB LYS 4 HB1 LYS 4 -8.029 -7.208 -7.208 25 1HG LYS 4 HG2 LYS 4 -8.017 -6.206 -6.206 26 2HG LYS 4 HG1 LYS 4 -8.999 -7.599 -7.599 27 1HD LYS 4 HD2 LYS 4 -9.689 -5.654 -5.654 28 2HD LYS 4 HD1 LYS 4 -10.374 -5.606 -5.606 29 1HE LYS 4 HE2 LYS 4 -11.084 -8.041 -8.041 30 2HE LYS 4 HE1 LYS 4 -10.706 -7.760 -7.760 31 1HZ LYS 4 HZ2 LYS 4 -12.553 -6.056 -6.056 32 2HZ LYS 4 HZ1 LYS 4 -13.066 -7.354 -7.354 33 3HZ LYS 4 HZ3 LYS 4 -12.300 -6.020 -6.020 34 H GLU 5 HN GLU 5 -7.696 -10.336 -10.336 35 HA GLU 5 HA GLU 5 -6.266 -11.050 -11.050 36 1HB GLU 5 HB2 GLU 5 -7.911 -12.447 -12.447 37 2HB GLU 5 HB1 GLU 5 -6.732 -13.507 -13.507 38 1HG GLU 5 HG2 GLU 5 -7.587 -13.045 -13.045 39 2HG GLU 5 HG1 GLU 5 -8.559 -11.695 -11.695 40 H PHE 6 HN PHE 6 -5.306 -11.359 -11.359 41 HA PHE 6 HA PHE 6 -3.068 -13.084 -13.084 42 1HB PHE 6 HB2 PHE 6 -3.953 -12.788 -12.788 43 2HB PHE 6 HB1 PHE 6 -3.480 -11.091 -11.091 44 HD1 PHE 6 HD2 PHE 6 -1.962 -14.431 -14.431 45 HD2 PHE 6 HD1 PHE 6 -1.437 -10.540 -10.540 46 HE1 PHE 6 HE2 PHE 6 0.314 -15.068 -15.068 47 HE2 PHE 6 HE1 PHE 6 0.849 -11.159 -11.159 48 HZ PHE 6 HZ PHE 6 1.730 -13.437 -13.437 49 H MET 7 HN MET 7 -2.952 -9.595 -9.595 50 HA MET 7 HA MET 7 -0.270 -9.238 -9.238 51 1HB MET 7 HB2 MET 7 -0.615 -6.954 -6.954 52 2HB MET 7 HB1 MET 7 -1.906 -7.650 -7.650 53 1HG MET 7 HG2 MET 7 -3.466 -7.327 -7.327 54 2HG MET 7 HG1 MET 7 -2.166 -6.494 -6.494 55 1HE MET 7 HE1 MET 7 -4.144 -6.900 -6.900 56 2HE MET 7 HE3 MET 7 -4.555 -5.292 -5.292 57 3HE MET 7 HE2 MET 7 -3.014 -6.021 -6.021 58 H TRP 8 HN TRP 8 -3.322 -8.723 -8.723 59 HA TRP 8 HA TRP 8 -2.363 -7.714 -7.714 60 1HB TRP 8 HB2 TRP 8 -4.788 -8.166 -8.166 61 2HB TRP 8 HB1 TRP 8 -4.530 -9.821 -9.821 62 HD1 TRP 8 HD1 TRP 8 -4.733 -10.252 -10.252 63 HE1 TRP 8 HE1 TRP 8 -5.014 -8.750 -8.750 64 HE3 TRP 8 HE3 TRP 8 -4.078 -5.671 -5.671 65 HZ2 TRP 8 HZ2 TRP 8 -4.962 -5.957 -5.957 66 HZ3 TRP 8 HZ3 TRP 8 -4.198 -3.608 -3.608 67 HH2 TRP 8 HH2 TRP 8 -4.638 -3.746 -3.746 68 H ALA 9 HN ALA 9 -1.552 -10.798 -10.798 69 HA ALA 9 HA ALA 9 -1.051 -11.970 -11.970 70 1HB ALA 9 HB2 ALA 9 -0.458 -13.019 -13.019 71 2HB ALA 9 HB1 ALA 9 -0.265 -13.926 -13.926 72 3HB ALA 9 HB3 ALA 9 -1.871 -13.420 -13.420 73 H LEU 10 HN LEU 10 0.836 -10.909 -10.909 74 HA LEU 10 HA LEU 10 3.407 -11.427 -11.427 75 1HB LEU 10 HB2 LEU 10 2.558 -9.266 -9.266 76 2HB LEU 10 HB1 LEU 10 4.221 -9.765 -9.765 77 HG LEU 10 HG LEU 10 3.022 -12.188 -12.188 78 1HD1 LEU 10 HD12 LEU 10 0.908 -11.075 -11.075 79 2HD1 LEU 10 HD11 LEU 10 1.792 -10.172 -10.172 80 3HD1 LEU 10 HD13 LEU 10 1.653 -11.920 -11.920 81 1HD2 LEU 10 HD22 LEU 10 4.267 -10.281 -10.281 82 2HD2 LEU 10 HD21 LEU 10 5.130 -11.429 -11.429 83 3HD2 LEU 10 HD23 LEU 10 4.057 -12.012 -12.012 84 H LYS 11 HN LYS 11 1.069 -9.498 -9.498 85 HA LYS 11 HA LYS 11 2.634 -7.199 -7.199 86 1HB LYS 11 HB2 LYS 11 0.375 -6.871 -6.871 87 2HB LYS 11 HB1 LYS 11 -0.164 -8.212 -8.212 88 1HG LYS 11 HG2 LYS 11 -0.697 -5.907 -5.907 89 2HG LYS 11 HG1 LYS 11 0.199 -6.935 -6.935 90 1HD LYS 11 HD2 LYS 11 2.267 -5.809 -5.809 91 2HD LYS 11 HD1 LYS 11 1.515 -4.924 -4.924 92 1HE LYS 11 HE2 LYS 11 0.192 -3.614 -3.614 93 2HE LYS 11 HE1 LYS 11 0.507 -4.697 -4.697 94 1HZ LYS 11 HZ3 LYS 11 2.950 -3.760 -3.760 95 2HZ LYS 11 HZ2 LYS 11 1.937 -2.428 -2.428 96 3HZ LYS 11 HZ1 LYS 11 2.297 -3.525 -3.525 97 H ASN 12 HN ASN 12 0.389 -9.142 -9.142 98 HA ASN 12 HA ASN 12 2.035 -8.715 -8.715 99 1HB ASN 12 HB2 ASN 12 -0.551 -8.687 -8.687 100 2HB ASN 12 HB1 ASN 12 -0.441 -10.448 -10.448 101 1HD2 ASN 12 HD21 ASN 12 1.144 -7.754 -7.754 102 2HD2 ASN 12 HD22 ASN 12 0.960 -8.476 -8.476 103 H GLY 13 HN GLY 13 2.509 -10.840 -10.840 104 1HA GLY 13 HA2 GLY 13 3.961 -12.698 -12.698 105 2HA GLY 13 HA1 GLY 13 3.783 -12.713 -12.713 106 H ASP 14 HN ASP 14 0.891 -12.643 -12.643 107 HA ASP 14 HA ASP 14 0.013 -15.145 -15.145 108 1HB ASP 14 HB2 ASP 14 -1.265 -14.084 -14.084 109 2HB ASP 14 HB1 ASP 14 -1.987 -14.763 -14.763 110 H LEU 15 HN LEU 15 2.346 -15.628 -15.628 111 HA LEU 15 HA LEU 15 2.901 -16.298 -16.298 112 1HB LEU 15 HB2 LEU 15 4.493 -16.389 -16.389 113 2HB LEU 15 HB1 LEU 15 3.626 -17.716 -17.716 114 HG LEU 15 HG LEU 15 5.729 -18.299 -18.299 115 1HD1 LEU 15 HD13 LEU 15 3.361 -19.740 -19.740 116 2HD1 LEU 15 HD12 LEU 15 3.741 -19.902 -19.902 117 3HD1 LEU 15 HD11 LEU 15 4.921 -20.376 -20.376 118 1HD2 LEU 15 HD22 LEU 15 5.081 -16.656 -16.656 119 2HD2 LEU 15 HD21 LEU 15 5.765 -18.197 -18.197 120 3HD2 LEU 15 HD23 LEU 15 4.032 -17.933 -17.933 121 H ASP 16 HN ASP 16 0.799 -17.980 -17.980 122 HA ASP 16 HA ASP 16 0.568 -20.444 -20.444 123 1HB ASP 16 HB2 ASP 16 -1.695 -19.105 -19.105 124 2HB ASP 16 HB1 ASP 16 -1.287 -20.817 -20.817 125 H GLU 17 HN GLU 17 -0.903 -17.286 -17.286 126 HA GLU 17 HA GLU 17 -2.933 -18.247 -18.247 127 1HB GLU 17 HB2 GLU 17 -1.958 -15.561 -15.561 128 2HB GLU 17 HB1 GLU 17 -3.006 -15.655 -15.655 129 1HG GLU 17 HG2 GLU 17 -4.212 -15.317 -15.317 130 2HG GLU 17 HG1 GLU 17 -4.764 -16.698 -16.698 131 H VAL 18 HN VAL 18 0.119 -16.408 -16.408 132 HA VAL 18 HA VAL 18 -0.007 -16.289 -16.289 133 HB VAL 18 HB VAL 18 2.738 -16.484 -16.484 134 1HG1 VAL 18 HG11 VAL 18 1.384 -14.550 -14.550 135 2HG1 VAL 18 HG13 VAL 18 1.331 -13.876 -13.876 136 3HG1 VAL 18 HG12 VAL 18 2.882 -14.197 -14.197 137 1HG2 VAL 18 HG21 VAL 18 1.847 -16.762 -16.762 138 2HG2 VAL 18 HG23 VAL 18 3.168 -15.662 -15.662 139 3HG2 VAL 18 HG22 VAL 18 1.549 -15.032 -15.032 140 H LYS 19 HN LYS 19 1.071 -18.724 -18.724 141 HA LYS 19 HA LYS 19 2.446 -20.442 -20.442 142 1HB LYS 19 HB2 LYS 19 2.357 -20.510 -20.510 143 2HB LYS 19 HB1 LYS 19 0.766 -21.237 -21.237 144 1HG LYS 19 HG2 LYS 19 1.600 -23.253 -23.253 145 2HG LYS 19 HG1 LYS 19 3.064 -22.501 -22.501 146 1HD LYS 19 HD2 LYS 19 2.627 -22.447 -22.447 147 2HD LYS 19 HD1 LYS 19 3.132 -23.963 -23.963 148 1HE LYS 19 HE2 LYS 19 4.643 -21.514 -21.514 149 2HE LYS 19 HE1 LYS 19 4.913 -22.122 -22.122 150 1HZ LYS 19 HZ2 LYS 19 5.312 -24.330 -24.330 151 2HZ LYS 19 HZ1 LYS 19 5.196 -23.648 -23.648 152 3HZ LYS 19 HZ3 LYS 19 6.445 -23.168 -23.168 153 H ASP 20 HN ASP 20 -0.981 -20.140 -20.140 154 HA ASP 20 HA ASP 20 -1.728 -22.554 -22.554 155 1HB ASP 20 HB2 ASP 20 -3.086 -21.121 -21.121 156 2HB ASP 20 HB1 ASP 20 -3.554 -20.174 -20.174 157 H TYR 21 HN TYR 21 -1.639 -19.136 -19.136 158 HA TYR 21 HA TYR 21 -2.757 -19.508 -19.508 159 1HB TYR 21 HB2 TYR 21 -0.805 -17.500 -17.500 160 2HB TYR 21 HB1 TYR 21 -1.300 -17.434 -17.434 161 HD1 TYR 21 HD2 TYR 21 -3.706 -17.103 -17.103 162 HD2 TYR 21 HD1 TYR 21 -2.301 -16.901 -16.901 163 HE1 TYR 21 HE2 TYR 21 -5.811 -15.976 -15.976 164 HE2 TYR 21 HE1 TYR 21 -4.402 -15.772 -15.772 165 HH TYR 21 HH TYR 21 -7.121 -15.808 -15.808 166 H VAL 22 HN VAL 22 0.758 -19.280 -19.280 167 HA VAL 22 HA VAL 22 1.478 -20.130 -20.130 168 HB VAL 22 HB VAL 22 2.947 -18.878 -18.878 169 1HG1 VAL 22 HG13 VAL 22 2.594 -20.482 -20.482 170 2HG1 VAL 22 HG12 VAL 22 3.532 -21.680 -21.680 171 3HG1 VAL 22 HG11 VAL 22 4.290 -20.183 -20.183 172 1HG2 VAL 22 HG22 VAL 22 4.017 -21.325 -21.325 173 2HG2 VAL 22 HG21 VAL 22 3.811 -19.713 -19.713 174 3HG2 VAL 22 HG23 VAL 22 5.009 -19.990 -19.990 175 H ALA 23 HN ALA 23 0.407 -21.964 -21.964 176 HA ALA 23 HA ALA 23 1.730 -24.421 -24.421 177 1HB ALA 23 HB1 ALA 23 0.331 -24.054 -24.054 178 2HB ALA 23 HB3 ALA 23 -1.105 -24.007 -24.007 179 3HB ALA 23 HB2 ALA 23 -0.169 -25.495 -25.495 180 H LYS 24 HN LYS 24 -0.743 -22.677 -22.677 181 HA LYS 24 HA LYS 24 -2.020 -24.718 -24.718 182 1HB LYS 24 HB2 LYS 24 -1.534 -21.792 -21.792 183 2HB LYS 24 HB1 LYS 24 -2.335 -22.794 -22.794 184 1HG LYS 24 HG2 LYS 24 -3.320 -22.884 -22.884 185 2HG LYS 24 HG1 LYS 24 -3.766 -21.515 -21.515 186 1HD LYS 24 HD2 LYS 24 -4.939 -22.854 -22.854 187 2HD LYS 24 HD1 LYS 24 -4.105 -24.326 -24.326 188 1HE LYS 24 HE2 LYS 24 -5.305 -24.400 -24.400 189 2HE LYS 24 HE1 LYS 24 -5.973 -22.788 -22.788 190 1HZ LYS 24 HZ1 LYS 24 -6.600 -24.355 -24.355 191 2HZ LYS 24 HZ3 LYS 24 -7.002 -25.256 -25.256 192 3HZ LYS 24 HZ2 LYS 24 -7.662 -23.707 -23.707 193 H GLY 25 HN GLY 25 0.041 -22.420 -22.420 194 1HA GLY 25 HA2 GLY 25 1.807 -24.555 -24.555 195 2HA GLY 25 HA1 GLY 25 0.757 -23.842 -23.842 196 H GLU 26 HN GLU 26 3.200 -23.011 -23.011 197 HA GLU 26 HA GLU 26 4.521 -21.058 -21.058 198 1HB GLU 26 HB2 GLU 26 6.060 -20.985 -20.985 199 2HB GLU 26 HB1 GLU 26 6.120 -22.363 -22.363 200 1HG GLU 26 HG2 GLU 26 6.059 -23.231 -23.231 201 2HG GLU 26 HG1 GLU 26 4.478 -23.536 -23.536 202 H ASP 27 HN ASP 27 3.737 -19.073 -19.073 203 HA ASP 27 HA ASP 27 3.300 -17.619 -17.619 204 1HB ASP 27 HB2 ASP 27 1.300 -17.705 -17.705 205 2HB ASP 27 HB1 ASP 27 1.200 -16.623 -16.623 206 H VAL 28 HN VAL 28 5.426 -17.619 -17.619 207 HA VAL 28 HA VAL 28 5.049 -15.121 -15.121 208 HB VAL 28 HB VAL 28 7.354 -15.543 -15.543 209 1HG1 VAL 28 HG11 VAL 28 5.382 -16.403 -16.403 210 2HG1 VAL 28 HG13 VAL 28 5.421 -17.864 -17.864 211 3HG1 VAL 28 HG12 VAL 28 6.732 -17.528 -17.528 212 1HG2 VAL 28 HG21 VAL 28 7.736 -17.017 -17.017 213 2HG2 VAL 28 HG23 VAL 28 8.692 -17.234 -17.234 214 3HG2 VAL 28 HG22 VAL 28 7.334 -18.307 -18.307 215 H ASN 29 HN ASN 29 4.732 -14.237 -14.237 216 HA ASN 29 HA ASN 29 6.952 -12.523 -12.523 217 1HB ASN 29 HB2 ASN 29 7.365 -13.443 -13.443 218 2HB ASN 29 HB1 ASN 29 8.073 -14.334 -14.334 219 1HD2 ASN 29 HD21 ASN 29 6.833 -16.305 -16.305 220 2HD2 ASN 29 HD22 ASN 29 5.861 -17.124 -17.124 221 H ARG 30 HN ARG 30 3.777 -13.025 -13.025 222 HA ARG 30 HA ARG 30 3.211 -11.575 -11.575 223 1HB ARG 30 HB2 ARG 30 0.779 -11.795 -11.795 224 2HB ARG 30 HB1 ARG 30 1.534 -13.157 -13.157 225 1HG ARG 30 HG2 ARG 30 0.582 -13.860 -13.860 226 2HG ARG 30 HG1 ARG 30 2.318 -14.036 -14.036 227 1HD ARG 30 HD2 ARG 30 2.582 -12.280 -12.280 228 2HD ARG 30 HD1 ARG 30 1.116 -11.454 -11.454 229 HE ARG 30 HE ARG 30 1.393 -13.361 -13.361 230 1HH1 ARG 30 HH21 ARG 30 -0.763 -12.416 -12.416 231 2HH1 ARG 30 HH22 ARG 30 -2.119 -13.249 -13.249 232 1HH2 ARG 30 HH11 ARG 30 -0.356 -14.428 -14.428 233 2HH2 ARG 30 HH12 ARG 30 -1.891 -14.386 -14.386 234 H THR 31 HN THR 31 2.020 -9.540 -9.540 235 HA THR 31 HA THR 31 3.133 -7.738 -7.738 236 HB THR 31 HB THR 31 0.511 -7.207 -7.207 237 HG1 THR 31 HG1 THR 31 1.499 -7.266 -7.266 238 1HG2 THR 31 HG23 THR 31 1.481 -5.562 -5.562 239 2HG2 THR 31 HG22 THR 31 2.907 -5.452 -5.452 240 3HG2 THR 31 HG21 THR 31 1.341 -4.926 -4.926 241 H LEU 32 HN LEU 32 2.365 -6.941 -6.941 242 HA LEU 32 HA LEU 32 0.492 -8.609 -8.609 243 1HB LEU 32 HB2 LEU 32 2.589 -7.433 -7.433 244 2HB LEU 32 HB1 LEU 32 1.659 -5.961 -5.961 245 HG LEU 32 HG LEU 32 0.185 -8.142 -8.142 246 1HD1 LEU 32 HD13 LEU 32 3.032 -7.602 -7.602 247 2HD1 LEU 32 HD12 LEU 32 1.809 -8.124 -8.124 248 3HD1 LEU 32 HD11 LEU 32 2.216 -9.149 -9.149 249 1HD2 LEU 32 HD21 LEU 32 1.274 -5.467 -5.467 250 2HD2 LEU 32 HD23 LEU 32 -0.360 -5.798 -5.798 251 3HD2 LEU 32 HD22 LEU 32 0.196 -6.489 -6.489 252 H GLU 33 HN GLU 33 0.169 -5.290 -5.290 253 HA GLU 33 HA GLU 33 -2.682 -5.372 -5.372 254 1HB GLU 33 HB2 GLU 33 -2.261 -4.274 -4.274 255 2HB GLU 33 HB1 GLU 33 -0.741 -3.602 -3.602 256 1HG GLU 33 HG2 GLU 33 -2.563 -1.891 -1.891 257 2HG GLU 33 HG1 GLU 33 -1.922 -1.892 -1.892 258 H GLY 34 HN GLY 34 0.103 -3.524 -3.524 259 1HA GLY 34 HA2 GLY 34 -1.539 -3.075 -3.075 260 2HA GLY 34 HA1 GLY 34 -1.072 -1.631 -1.631 261 H GLY 35 HN GLY 35 1.557 -2.439 -2.439 262 1HA GLY 35 HA2 GLY 35 2.911 -3.047 -3.047 263 2HA GLY 35 HA1 GLY 35 3.195 -1.448 -1.448 264 H ARG 36 HN ARG 36 2.707 -3.797 -3.797 265 HA ARG 36 HA ARG 36 5.681 -4.035 -4.035 266 1HB ARG 36 HB2 ARG 36 3.666 -4.276 -4.276 267 2HB ARG 36 HB1 ARG 36 5.369 -3.815 -3.815 268 1HG ARG 36 HG2 ARG 36 4.593 -1.773 -1.773 269 2HG ARG 36 HG1 ARG 36 2.993 -2.180 -2.180 270 1HD ARG 36 HD2 ARG 36 4.541 -2.218 -2.218 271 2HD ARG 36 HD1 ARG 36 5.262 -0.898 -0.898 272 HE ARG 36 HE ARG 36 2.908 -0.660 -0.660 273 1HH1 ARG 36 HH21 ARG 36 3.765 -0.300 -0.300 274 2HH1 ARG 36 HH22 ARG 36 2.474 0.796 0.796 275 1HH2 ARG 36 HH11 ARG 36 1.254 0.756 0.756 276 2HH2 ARG 36 HH12 ARG 36 1.053 1.392 1.392 277 H LYS 37 HN LYS 37 6.037 -5.984 -5.984 278 HA LYS 37 HA LYS 37 4.365 -8.300 -8.300 279 1HB LYS 37 HB2 LYS 37 6.276 -9.587 -9.587 280 2HB LYS 37 HB1 LYS 37 6.423 -8.060 -8.060 281 1HG LYS 37 HG2 LYS 37 8.578 -8.353 -8.353 282 2HG LYS 37 HG1 LYS 37 7.832 -7.317 -7.317 283 1HD LYS 37 HD2 LYS 37 9.260 -9.292 -9.292 284 2HD LYS 37 HD1 LYS 37 7.730 -9.039 -9.039 285 1HE LYS 37 HE2 LYS 37 8.402 -11.453 -11.453 286 2HE LYS 37 HE1 LYS 37 6.766 -10.928 -10.928 287 1HZ LYS 37 HZ3 LYS 37 8.545 -10.263 -10.263 288 2HZ LYS 37 HZ2 LYS 37 8.555 -11.932 -11.932 289 3HZ LYS 37 HZ1 LYS 37 7.101 -11.149 -11.149 290 HA PRO 38 HA PRO 38 4.180 -9.367 -9.367 291 1HB PRO 38 HB2 PRO 38 4.674 -12.189 -12.189 292 2HB PRO 38 HB1 PRO 38 3.123 -11.366 -11.366 293 1HG PRO 38 HG2 PRO 38 4.452 -12.474 -12.474 294 2HG PRO 38 HG1 PRO 38 2.769 -11.980 -11.980 295 1HD PRO 38 HD2 PRO 38 4.661 -10.601 -10.601 296 2HD PRO 38 HD1 PRO 38 3.148 -9.919 -9.919 297 H LEU 39 HN LEU 39 6.927 -8.409 -8.409 298 HA LEU 39 HA LEU 39 8.288 -10.207 -10.207 299 1HB LEU 39 HB2 LEU 39 9.151 -10.377 -10.377 300 2HB LEU 39 HB1 LEU 39 9.710 -8.737 -8.737 301 HG LEU 39 HG LEU 39 11.477 -9.351 -9.351 302 1HD1 LEU 39 HD11 LEU 39 9.916 -11.736 -11.736 303 2HD1 LEU 39 HD13 LEU 39 11.580 -11.362 -11.362 304 3HD1 LEU 39 HD12 LEU 39 10.292 -10.264 -10.264 305 1HD2 LEU 39 HD21 LEU 39 11.349 -10.738 -10.738 306 2HD2 LEU 39 HD23 LEU 39 12.543 -11.183 -11.183 307 3HD2 LEU 39 HD22 LEU 39 11.040 -12.094 -12.094 308 H HIS 40 HN HIS 40 7.632 -6.978 -6.978 309 HA HIS 40 HA HIS 40 9.554 -5.615 -5.615 310 1HB HIS 40 HB2 HIS 40 8.522 -4.552 -4.552 311 2HB HIS 40 HB1 HIS 40 6.940 -4.636 -4.636 312 HD1 HIS 40 HD1 HIS 40 7.160 -1.914 -1.914 313 HD2 HIS 40 HD2 HIS 40 9.570 -3.577 -3.577 314 HE1 HIS 40 HE1 HIS 40 7.878 0.001 0.001 315 H TYR 41 HN TYR 41 6.112 -6.367 -6.367 316 HA TYR 41 HA TYR 41 5.828 -5.173 -5.173 317 1HB TYR 41 HB2 TYR 41 4.220 -7.511 -7.511 318 2HB TYR 41 HB1 TYR 41 3.693 -6.209 -6.209 319 HD1 TYR 41 HD1 TYR 41 4.775 -7.018 -7.018 320 HD2 TYR 41 HD2 TYR 41 2.944 -4.118 -4.118 321 HE1 TYR 41 HE1 TYR 41 4.116 -5.676 -5.676 322 HE2 TYR 41 HE2 TYR 41 2.284 -2.774 -2.774 323 HH TYR 41 HH TYR 41 1.830 -3.374 -3.374 324 H ALA 42 HN ALA 42 6.557 -8.419 -8.419 325 HA ALA 42 HA ALA 42 6.636 -9.654 -9.654 326 1HB ALA 42 HB1 ALA 42 7.107 -10.350 -10.350 327 2HB ALA 42 HB3 ALA 42 8.350 -11.068 -11.068 328 3HB ALA 42 HB2 ALA 42 6.658 -11.403 -11.403 329 H ALA 43 HN ALA 43 9.280 -8.718 -8.718 330 HA ALA 43 HA ALA 43 11.459 -8.837 -8.837 331 1HB ALA 43 HB2 ALA 43 10.792 -6.743 -6.743 332 2HB ALA 43 HB1 ALA 43 12.397 -7.003 -7.003 333 3HB ALA 43 HB3 ALA 43 11.634 -8.261 -8.261 334 H ASP 44 HN ASP 44 9.574 -5.864 -5.864 335 HA ASP 44 HA ASP 44 10.584 -4.279 -4.279 336 1HB ASP 44 HB2 ASP 44 9.187 -3.338 -3.338 337 2HB ASP 44 HB1 ASP 44 7.795 -4.253 -4.253 338 H CYS 45 HN CYS 45 7.888 -6.630 -6.630 339 HA CYS 45 HA CYS 45 8.224 -6.657 -6.657 340 1HB CYS 45 HB2 CYS 45 5.875 -5.350 -5.350 341 2HB CYS 45 HB1 CYS 45 5.664 -6.110 -6.110 342 HG CYS 45 HG CYS 45 7.014 -4.303 -4.303 343 H GLY 46 HN GLY 46 8.663 -8.830 -8.830 344 1HA GLY 46 HA2 GLY 46 6.109 -10.417 -10.417 345 2HA GLY 46 HA1 GLY 46 7.582 -10.812 -10.812 346 H GLN 47 HN GLN 47 7.884 -9.738 -9.738 347 HA GLN 47 HA GLN 47 8.729 -10.876 -10.876 348 1HB GLN 47 HB2 GLN 47 7.225 -13.269 -13.269 349 2HB GLN 47 HB1 GLN 47 7.664 -12.964 -12.964 350 1HG GLN 47 HG2 GLN 47 5.688 -11.396 -11.396 351 2HG GLN 47 HG1 GLN 47 5.323 -12.419 -12.419 352 1HE2 GLN 47 HE21 GLN 47 4.881 -9.451 -9.451 353 2HE2 GLN 47 HE22 GLN 47 5.640 -8.710 -8.710 354 H LEU 48 HN LEU 48 9.747 -11.077 -11.077 355 HA LEU 48 HA LEU 48 11.600 -11.832 -11.832 356 1HB LEU 48 HB2 LEU 48 12.404 -12.591 -12.591 357 2HB LEU 48 HB1 LEU 48 13.459 -12.700 -12.700 358 HG LEU 48 HG LEU 48 14.074 -10.568 -10.568 359 1HD1 LEU 48 HD11 LEU 48 11.235 -9.791 -9.791 360 2HD1 LEU 48 HD13 LEU 48 12.588 -8.690 -8.690 361 3HD1 LEU 48 HD12 LEU 48 12.584 -9.916 -9.916 362 1HD2 LEU 48 HD23 LEU 48 11.694 -10.446 -10.446 363 2HD2 LEU 48 HD22 LEU 48 13.375 -10.719 -10.719 364 3HD2 LEU 48 HD21 LEU 48 12.870 -9.140 -9.140 365 H GLU 49 HN GLU 49 9.410 -13.862 -13.862 366 HA GLU 49 HA GLU 49 10.875 -16.311 -16.311 367 1HB GLU 49 HB2 GLU 49 8.424 -17.243 -17.243 368 2HB GLU 49 HB1 GLU 49 9.690 -17.036 -17.036 369 1HG GLU 49 HG2 GLU 49 8.851 -14.891 -14.891 370 2HG GLU 49 HG1 GLU 49 7.692 -14.884 -14.884 371 H ILE 50 HN ILE 50 8.150 -14.214 -14.214 372 HA ILE 50 HA ILE 50 7.063 -15.710 -15.710 373 HB ILE 50 HB ILE 50 7.086 -12.711 -12.711 374 1HG1 ILE 50 HG12 ILE 50 5.981 -14.614 -14.614 375 2HG1 ILE 50 HG11 ILE 50 5.884 -12.867 -12.867 376 1HG2 ILE 50 HG23 ILE 50 5.238 -14.709 -14.709 377 2HG2 ILE 50 HG22 ILE 50 4.954 -12.979 -12.979 378 3HG2 ILE 50 HG21 ILE 50 6.333 -13.614 -13.614 379 1HD1 ILE 50 HD11 ILE 50 3.928 -14.331 -14.331 380 2HD1 ILE 50 HD13 ILE 50 3.685 -14.375 -14.375 381 3HD1 ILE 50 HD12 ILE 50 3.725 -12.840 -12.840 382 H LEU 51 HN LEU 51 9.568 -13.220 -13.220 383 HA LEU 51 HA LEU 51 9.692 -13.151 -13.151 384 1HB LEU 51 HB2 LEU 51 12.275 -12.544 -12.544 385 2HB LEU 51 HB1 LEU 51 10.976 -11.378 -11.378 386 HG LEU 51 HG LEU 51 12.337 -11.177 -11.177 387 1HD1 LEU 51 HD12 LEU 51 9.561 -11.378 -11.378 388 2HD1 LEU 51 HD11 LEU 51 10.067 -12.308 -12.308 389 3HD1 LEU 51 HD13 LEU 51 10.578 -10.638 -10.638 390 1HD2 LEU 51 HD21 LEU 51 12.942 -13.706 -13.706 391 2HD2 LEU 51 HD23 LEU 51 12.863 -12.894 -12.894 392 3HD2 LEU 51 HD22 LEU 51 11.520 -13.899 -13.899 393 H GLU 52 HN GLU 52 11.821 -14.989 -14.989 394 HA GLU 52 HA GLU 52 13.195 -16.425 -16.425 395 1HB GLU 52 HB2 GLU 52 12.303 -17.224 -17.224 396 2HB GLU 52 HB1 GLU 52 13.266 -18.295 -18.295 397 1HG GLU 52 HG2 GLU 52 14.847 -16.195 -16.195 398 2HG GLU 52 HG1 GLU 52 14.001 -15.680 -15.680 399 H PHE 53 HN PHE 53 9.890 -16.801 -16.801 400 HA PHE 53 HA PHE 53 9.462 -19.439 -19.439 401 1HB PHE 53 HB2 PHE 53 7.844 -18.428 -18.428 402 2HB PHE 53 HB1 PHE 53 7.488 -17.177 -17.177 403 HD1 PHE 53 HD1 PHE 53 7.734 -20.934 -20.934 404 HD2 PHE 53 HD2 PHE 53 5.538 -17.470 -17.470 405 HE1 PHE 53 HE1 PHE 53 6.089 -22.395 -22.395 406 HE2 PHE 53 HE2 PHE 53 3.893 -18.920 -18.920 407 HZ PHE 53 HZ PHE 53 4.181 -21.405 -21.405 408 H LEU 54 HN LEU 54 7.683 -16.882 -16.882 409 HA LEU 54 HA LEU 54 7.536 -18.238 -18.238 410 1HB LEU 54 HB2 LEU 54 7.260 -15.662 -15.662 411 2HB LEU 54 HB1 LEU 54 5.988 -16.574 -16.574 412 HG LEU 54 HG LEU 54 6.546 -15.619 -15.619 413 1HD1 LEU 54 HD11 LEU 54 8.888 -14.542 -14.542 414 2HD1 LEU 54 HD13 LEU 54 8.255 -13.625 -13.625 415 3HD1 LEU 54 HD12 LEU 54 8.838 -15.259 -15.259 416 1HD2 LEU 54 HD21 LEU 54 6.414 -13.559 -13.559 417 2HD2 LEU 54 HD23 LEU 54 5.029 -14.383 -14.383 418 3HD2 LEU 54 HD22 LEU 54 6.001 -13.276 -13.276 419 H LEU 55 HN LEU 55 10.179 -16.285 -16.285 420 HA LEU 55 HA LEU 55 11.483 -15.882 -15.882 421 1HB LEU 55 HB2 LEU 55 11.915 -14.828 -14.828 422 2HB LEU 55 HB1 LEU 55 13.032 -16.173 -16.173 423 HG LEU 55 HG LEU 55 13.046 -14.165 -14.165 424 1HD1 LEU 55 HD13 LEU 55 13.637 -13.239 -13.239 425 2HD1 LEU 55 HD12 LEU 55 14.958 -14.406 -14.406 426 3HD1 LEU 55 HD11 LEU 55 14.949 -13.154 -13.154 427 1HD2 LEU 55 HD22 LEU 55 14.727 -16.569 -16.569 428 2HD2 LEU 55 HD21 LEU 55 14.075 -16.082 -16.082 429 3HD2 LEU 55 HD23 LEU 55 15.441 -15.219 -15.219 430 H LEU 56 HN LEU 56 11.667 -18.487 -18.487 431 HA LEU 56 HA LEU 56 13.738 -19.873 -19.873 432 1HB LEU 56 HB2 LEU 56 13.503 -21.613 -21.613 433 2HB LEU 56 HB1 LEU 56 12.912 -20.231 -20.231 434 HG LEU 56 HG LEU 56 10.568 -21.062 -21.062 435 1HD1 LEU 56 HD13 LEU 56 12.216 -23.575 -23.575 436 2HD1 LEU 56 HD12 LEU 56 10.481 -23.533 -23.533 437 3HD1 LEU 56 HD11 LEU 56 11.611 -23.001 -23.001 438 1HD2 LEU 56 HD23 LEU 56 11.171 -20.726 -20.726 439 2HD2 LEU 56 HD22 LEU 56 10.034 -22.029 -22.029 440 3HD2 LEU 56 HD21 LEU 56 11.728 -22.391 -22.391 441 H LYS 57 HN LYS 57 10.276 -19.716 -19.716 442 HA LYS 57 HA LYS 57 10.038 -21.970 -21.970 443 1HB LYS 57 HB2 LYS 57 8.410 -19.492 -19.492 444 2HB LYS 57 HB1 LYS 57 8.064 -20.410 -20.410 445 1HG LYS 57 HG2 LYS 57 8.271 -21.869 -21.869 446 2HG LYS 57 HG1 LYS 57 6.802 -20.972 -20.972 447 1HD LYS 57 HD2 LYS 57 6.342 -22.278 -22.278 448 2HD LYS 57 HD1 LYS 57 7.983 -22.918 -22.918 449 1HE LYS 57 HE2 LYS 57 6.409 -24.606 -24.606 450 2HE LYS 57 HE1 LYS 57 7.583 -24.156 -24.156 451 1HZ LYS 57 HZ1 LYS 57 5.398 -22.411 -22.411 452 2HZ LYS 57 HZ3 LYS 57 4.796 -23.996 -23.996 453 3HZ LYS 57 HZ2 LYS 57 5.920 -23.553 -23.553 454 H GLY 58 HN GLY 58 9.142 -18.978 -18.978 455 1HA GLY 58 HA2 GLY 58 11.077 -19.374 -19.374 456 2HA GLY 58 HA1 GLY 58 9.940 -18.025 -18.025 457 H ALA 59 HN ALA 59 11.233 -16.172 -16.172 458 HA ALA 59 HA ALA 59 12.649 -15.514 -15.514 459 1HB ALA 59 HB1 ALA 59 14.298 -16.907 -16.907 460 2HB ALA 59 HB3 ALA 59 15.028 -15.645 -15.645 461 3HB ALA 59 HB2 ALA 59 14.346 -17.068 -17.068 462 H ASP 60 HN ASP 60 11.357 -13.783 -13.783 463 HA ASP 60 HA ASP 60 12.216 -12.184 -12.184 464 1HB ASP 60 HB2 ASP 60 9.923 -11.980 -11.980 465 2HB ASP 60 HB1 ASP 60 10.231 -11.827 -11.827 466 H ILE 61 HN ILE 61 13.672 -12.949 -12.949 467 HA ILE 61 HA ILE 61 14.456 -10.756 -10.756 468 HB ILE 61 HB ILE 61 15.192 -13.124 -13.124 469 1HG1 ILE 61 HG12 ILE 61 17.327 -10.966 -10.966 470 2HG1 ILE 61 HG11 ILE 61 16.443 -11.558 -11.558 471 1HG2 ILE 61 HG23 ILE 61 15.631 -13.404 -13.404 472 2HG2 ILE 61 HG22 ILE 61 17.132 -12.508 -12.508 473 3HG2 ILE 61 HG21 ILE 61 16.899 -14.048 -14.048 474 1HD1 ILE 61 HD13 ILE 61 17.579 -13.878 -13.878 475 2HD1 ILE 61 HD12 ILE 61 18.800 -12.719 -12.719 476 3HD1 ILE 61 HD11 ILE 61 18.314 -12.805 -12.805 477 H ASN 62 HN ASN 62 15.050 -11.405 -11.405 478 HA ASN 62 HA ASN 62 16.800 -8.999 -8.999 479 1HB ASN 62 HB2 ASN 62 18.009 -10.206 -10.206 480 2HB ASN 62 HB1 ASN 62 18.151 -11.036 -11.036 481 1HD2 ASN 62 HD21 ASN 62 15.797 -12.433 -12.433 482 2HD2 ASN 62 HD22 ASN 62 15.618 -13.526 -13.526 483 H ALA 63 HN ALA 63 14.494 -11.142 -11.142 484 HA ALA 63 HA ALA 63 13.859 -10.454 -10.454 485 1HB ALA 63 HB2 ALA 63 11.871 -10.236 -10.236 486 2HB ALA 63 HB1 ALA 63 11.399 -10.038 -10.038 487 3HB ALA 63 HB3 ALA 63 12.115 -11.551 -11.551 488 HA PRO 64 HA PRO 64 11.789 -5.911 -5.911 489 1HB PRO 64 HB2 PRO 64 14.601 -5.483 -5.483 490 2HB PRO 64 HB1 PRO 64 13.119 -4.610 -4.610 491 1HG PRO 64 HG2 PRO 64 14.148 -6.829 -6.829 492 2HG PRO 64 HG1 PRO 64 12.476 -6.246 -6.246 493 1HD PRO 64 HD2 PRO 64 13.265 -8.750 -8.750 494 2HD PRO 64 HD1 PRO 64 11.678 -8.027 -8.027 495 H ASP 65 HN ASP 65 11.632 -4.539 -4.539 496 HA ASP 65 HA ASP 65 13.851 -4.029 -4.029 497 1HB ASP 65 HB2 ASP 65 11.141 -5.158 -5.158 498 2HB ASP 65 HB1 ASP 65 12.121 -4.252 -4.252 499 H LYS 66 HN LYS 66 10.409 -3.375 -3.375 500 HA LYS 66 HA LYS 66 10.650 -0.629 -0.629 501 1HB LYS 66 HB2 LYS 66 8.586 -1.693 -1.693 502 2HB LYS 66 HB1 LYS 66 8.449 -2.344 -2.344 503 1HG LYS 66 HG2 LYS 66 6.958 -0.447 -0.447 504 2HG LYS 66 HG1 LYS 66 8.092 -0.097 -0.097 505 1HD LYS 66 HD2 LYS 66 7.885 1.814 1.814 506 2HD LYS 66 HD1 LYS 66 9.492 1.145 1.145 507 1HE LYS 66 HE2 LYS 66 7.382 0.121 0.121 508 2HE LYS 66 HE1 LYS 66 8.029 1.735 1.735 509 1HZ LYS 66 HZ3 LYS 66 10.283 0.472 0.472 510 2HZ LYS 66 HZ2 LYS 66 9.370 -0.858 -0.858 511 3HZ LYS 66 HZ1 LYS 66 9.541 0.506 0.506 512 H HIS 67 HN HIS 67 10.744 -2.529 -2.529 513 HA HIS 67 HA HIS 67 10.409 -0.295 -0.295 514 1HB HIS 67 HB2 HIS 67 11.596 -2.969 -2.969 515 2HB HIS 67 HB1 HIS 67 10.586 -1.914 -1.914 516 HD1 HIS 67 HD1 HIS 67 10.341 -4.224 -4.224 517 HD2 HIS 67 HD2 HIS 67 7.852 -2.390 -2.390 518 HE1 HIS 67 HE1 HIS 67 8.033 -5.223 -5.223 519 H HIS 68 HN HIS 68 12.932 -1.368 -1.368 520 HA HIS 68 HA HIS 68 15.277 -1.098 -1.098 521 1HB HIS 68 HB2 HIS 68 14.425 1.181 1.181 522 2HB HIS 68 HB1 HIS 68 14.336 1.491 1.491 523 HD1 HIS 68 HD1 HIS 68 16.483 2.097 2.097 524 HD2 HIS 68 HD2 HIS 68 17.155 0.868 0.868 525 HE1 HIS 68 HE1 HIS 68 18.919 2.575 2.575 526 H ILE 69 HN ILE 69 13.974 -2.304 -2.304 527 HA ILE 69 HA ILE 69 16.384 -2.116 -2.116 528 HB ILE 69 HB ILE 69 14.251 -0.372 -0.372 529 1HG1 ILE 69 HG12 ILE 69 16.652 -0.085 -0.085 530 2HG1 ILE 69 HG11 ILE 69 15.687 0.150 0.150 531 1HG2 ILE 69 HG22 ILE 69 13.037 -2.303 -2.303 532 2HG2 ILE 69 HG21 ILE 69 14.441 -2.565 -2.565 533 3HG2 ILE 69 HG23 ILE 69 13.525 -1.064 -1.064 534 1HD1 ILE 69 HD13 ILE 69 16.180 -2.445 -2.445 535 2HD1 ILE 69 HD12 ILE 69 17.599 -2.010 -2.010 536 3HD1 ILE 69 HD11 ILE 69 17.241 -1.208 -1.208 537 H THR 70 HN THR 70 16.564 -3.586 -3.586 538 HA THR 70 HA THR 70 14.854 -5.950 -5.950 539 HB THR 70 HB THR 70 17.002 -6.638 -6.638 540 HG1 THR 70 HG1 THR 70 16.572 -6.983 -6.983 541 1HG2 THR 70 HG21 THR 70 17.844 -4.580 -4.580 542 2HG2 THR 70 HG23 THR 70 19.003 -5.694 -5.694 543 3HG2 THR 70 HG22 THR 70 18.131 -4.574 -4.574 544 HA PRO 71 HA PRO 71 13.432 -5.250 -5.250 545 1HB PRO 71 HB2 PRO 71 13.441 -8.147 -8.147 546 2HB PRO 71 HB1 PRO 71 12.053 -7.057 -7.057 547 1HG PRO 71 HG2 PRO 71 12.635 -8.891 -8.891 548 2HG PRO 71 HG1 PRO 71 12.097 -7.262 -7.262 549 1HD PRO 71 HD2 PRO 71 14.893 -8.326 -8.326 550 2HD PRO 71 HD1 PRO 71 14.044 -7.445 -7.445 551 H LEU 72 HN LEU 72 16.568 -6.712 -6.712 552 HA LEU 72 HA LEU 72 16.788 -7.064 -7.064 553 1HB LEU 72 HB2 LEU 72 19.258 -6.012 -6.012 554 2HB LEU 72 HB1 LEU 72 19.013 -7.463 -7.463 555 HG LEU 72 HG LEU 72 19.572 -8.351 -8.351 556 1HD1 LEU 72 HD12 LEU 72 16.906 -8.735 -8.735 557 2HD1 LEU 72 HD11 LEU 72 16.805 -8.330 -8.330 558 3HD1 LEU 72 HD13 LEU 72 17.802 -9.666 -9.666 559 1HD2 LEU 72 HD21 LEU 72 19.653 -6.173 -6.173 560 2HD2 LEU 72 HD23 LEU 72 18.907 -7.413 -7.413 561 3HD2 LEU 72 HD22 LEU 72 17.909 -6.197 -6.197 562 H LEU 73 HN LEU 73 17.134 -4.191 -4.191 563 HA LEU 73 HA LEU 73 17.970 -2.556 -2.556 564 1HB LEU 73 HB2 LEU 73 16.651 -1.636 -1.636 565 2HB LEU 73 HB1 LEU 73 17.566 -0.673 -0.673 566 HG LEU 73 HG LEU 73 19.465 -2.431 -2.431 567 1HD1 LEU 73 HD11 LEU 73 17.486 -3.309 -3.309 568 2HD1 LEU 73 HD13 LEU 73 18.932 -2.789 -2.789 569 3HD1 LEU 73 HD12 LEU 73 19.030 -4.015 -4.015 570 1HD2 LEU 73 HD22 LEU 73 18.684 -0.114 -0.114 571 2HD2 LEU 73 HD21 LEU 73 19.940 -0.238 -0.238 572 3HD2 LEU 73 HD23 LEU 73 20.142 -1.039 -1.039 573 H SER 74 HN SER 74 14.931 -3.758 -3.758 574 HA SER 74 HA SER 74 13.255 -1.766 -1.766 575 1HB SER 74 HB2 SER 74 11.738 -3.198 -3.198 576 2HB SER 74 HB1 SER 74 12.893 -4.510 -4.510 577 HG SER 74 HG SER 74 11.129 -4.972 -4.972 578 H ALA 75 HN ALA 75 14.661 -4.681 -4.681 579 HA ALA 75 HA ALA 75 13.616 -4.116 -4.116 580 1HB ALA 75 HB2 ALA 75 15.899 -5.869 -5.869 581 2HB ALA 75 HB1 ALA 75 15.311 -5.796 -5.796 582 3HB ALA 75 HB3 ALA 75 14.252 -6.374 -6.374 583 H VAL 76 HN VAL 76 16.643 -3.292 -3.292 584 HA VAL 76 HA VAL 76 18.311 -2.541 -2.541 585 HB VAL 76 HB VAL 76 17.720 -1.254 -1.254 586 1HG1 VAL 76 HG12 VAL 76 18.895 0.355 0.355 587 2HG1 VAL 76 HG11 VAL 76 20.295 -0.618 -0.618 588 3HG1 VAL 76 HG13 VAL 76 19.441 0.276 0.276 589 1HG2 VAL 76 HG23 VAL 76 18.695 -3.507 -3.507 590 2HG2 VAL 76 HG22 VAL 76 19.794 -2.336 -2.336 591 3HG2 VAL 76 HG21 VAL 76 20.035 -2.852 -2.852 592 H TYR 77 HN TYR 77 16.167 -0.122 -0.122 593 HA TYR 77 HA TYR 77 16.360 1.564 1.564 594 1HB TYR 77 HB2 TYR 77 14.146 2.119 2.119 595 2HB TYR 77 HB1 TYR 77 15.370 3.208 3.208 596 HD1 TYR 77 HD2 TYR 77 17.616 3.327 3.327 597 HD2 TYR 77 HD1 TYR 77 14.526 0.803 0.803 598 HE1 TYR 77 HE2 TYR 77 18.901 3.053 3.053 599 HE2 TYR 77 HE1 TYR 77 15.814 0.529 0.529 600 HH TYR 77 HH TYR 77 17.727 2.150 2.150 601 H GLU 78 HN GLU 78 15.486 -0.818 -0.818 602 HA GLU 78 HA GLU 78 12.609 -0.263 -0.263 603 1HB GLU 78 HB2 GLU 78 13.169 -2.209 -2.209 604 2HB GLU 78 HB1 GLU 78 13.666 -3.067 -3.067 605 1HG GLU 78 HG2 GLU 78 11.363 -3.614 -3.614 606 2HG GLU 78 HG1 GLU 78 11.423 -2.478 -2.478 607 H GLY 79 HN GLY 79 15.738 -1.504 -1.504 608 1HA GLY 79 HA2 GLY 79 16.576 -1.505 -1.505 609 2HA GLY 79 HA1 GLY 79 14.921 -1.289 -1.289 610 H HIS 80 HN HIS 80 14.532 -3.449 -3.449 611 HA HIS 80 HA HIS 80 14.366 -5.707 -5.707 612 1HB HIS 80 HB2 HIS 80 13.646 -5.210 -5.210 613 2HB HIS 80 HB1 HIS 80 13.824 -6.865 -6.865 614 HD1 HIS 80 HD1 HIS 80 11.679 -7.811 -7.811 615 HD2 HIS 80 HD2 HIS 80 11.871 -3.798 -3.798 616 HE1 HIS 80 HE1 HIS 80 9.546 -7.325 -7.325 617 H VAL 81 HN VAL 81 16.091 -5.183 -5.183 618 HA VAL 81 HA VAL 81 17.862 -6.496 -6.496 619 HB VAL 81 HB VAL 81 19.897 -5.871 -5.871 620 1HG1 VAL 81 HG12 VAL 81 19.133 -4.746 -4.746 621 2HG1 VAL 81 HG11 VAL 81 18.238 -3.621 -3.621 622 3HG1 VAL 81 HG13 VAL 81 19.994 -3.725 -3.725 623 1HG2 VAL 81 HG21 VAL 81 18.327 -5.355 -5.355 624 2HG2 VAL 81 HG23 VAL 81 19.340 -3.993 -3.993 625 3HG2 VAL 81 HG22 VAL 81 17.660 -4.041 -4.041 626 H SER 82 HN SER 82 16.136 -8.011 -8.011 627 HA SER 82 HA SER 82 18.089 -10.005 -10.005 628 1HB SER 82 HB2 SER 82 15.195 -9.397 -9.397 629 2HB SER 82 HB1 SER 82 15.605 -11.111 -11.111 630 HG SER 82 HG SER 82 17.262 -10.558 -10.558 631 H CYS 83 HN CYS 83 16.030 -9.094 -9.094 632 HA CYS 83 HA CYS 83 15.878 -11.703 -11.703 633 1HB CYS 83 HB2 CYS 83 15.156 -9.820 -9.820 634 2HB CYS 83 HB1 CYS 83 14.049 -10.591 -10.591 635 HG CYS 83 HG CYS 83 14.892 -8.403 -8.403 636 H VAL 84 HN VAL 84 17.482 -8.558 -8.558 637 HA VAL 84 HA VAL 84 18.917 -9.119 -9.119 638 HB VAL 84 HB VAL 84 20.671 -7.640 -7.640 639 1HG1 VAL 84 HG13 VAL 84 18.566 -6.705 -6.705 640 2HG1 VAL 84 HG12 VAL 84 17.884 -6.755 -6.755 641 3HG1 VAL 84 HG11 VAL 84 19.257 -5.706 -5.706 642 1HG2 VAL 84 HG22 VAL 84 19.269 -8.342 -8.342 643 2HG2 VAL 84 HG21 VAL 84 20.989 -8.320 -8.320 644 3HG2 VAL 84 HG23 VAL 84 20.112 -6.813 -6.813 645 H LYS 85 HN LYS 85 19.653 -10.028 -10.028 646 HA LYS 85 HA LYS 85 22.165 -11.156 -11.156 647 1HB LYS 85 HB2 LYS 85 19.790 -11.889 -11.889 648 2HB LYS 85 HB1 LYS 85 21.343 -12.672 -12.672 649 1HG LYS 85 HG2 LYS 85 21.738 -9.785 -9.785 650 2HG LYS 85 HG1 LYS 85 20.504 -10.172 -10.172 651 1HD LYS 85 HD2 LYS 85 22.614 -10.209 -10.209 652 2HD LYS 85 HD1 LYS 85 22.098 -11.887 -11.887 653 1HE LYS 85 HE2 LYS 85 23.499 -11.832 -11.832 654 2HE LYS 85 HE1 LYS 85 24.258 -10.414 -10.414 655 1HZ LYS 85 HZ2 LYS 85 24.062 -13.089 -13.089 656 2HZ LYS 85 HZ1 LYS 85 25.450 -12.452 -12.452 657 3HZ LYS 85 HZ3 LYS 85 24.833 -11.726 -11.726 658 H LEU 86 HN LEU 86 19.387 -13.357 -13.357 659 HA LEU 86 HA LEU 86 20.756 -15.462 -15.462 660 1HB LEU 86 HB2 LEU 86 18.591 -16.641 -16.641 661 2HB LEU 86 HB1 LEU 86 18.992 -16.080 -16.080 662 HG LEU 86 HG LEU 86 16.631 -15.754 -15.754 663 1HD1 LEU 86 HD12 LEU 86 18.085 -14.114 -14.114 664 2HD1 LEU 86 HD11 LEU 86 17.738 -12.995 -12.995 665 3HD1 LEU 86 HD13 LEU 86 16.416 -13.717 -13.717 666 1HD2 LEU 86 HD21 LEU 86 17.166 -15.306 -15.306 667 2HD2 LEU 86 HD23 LEU 86 15.847 -14.415 -14.415 668 3HD2 LEU 86 HD22 LEU 86 17.394 -13.637 -13.637 669 H LEU 87 HN LEU 87 19.658 -12.716 -12.716 670 HA LEU 87 HA LEU 87 18.602 -13.820 -13.820 671 1HB LEU 87 HB2 LEU 87 18.913 -11.271 -11.271 672 2HB LEU 87 HB1 LEU 87 19.653 -11.157 -11.157 673 HG LEU 87 HG LEU 87 16.884 -12.266 -12.266 674 1HD1 LEU 87 HD12 LEU 87 17.841 -9.497 -9.497 675 2HD1 LEU 87 HD11 LEU 87 16.166 -10.036 -10.036 676 3HD1 LEU 87 HD13 LEU 87 16.908 -9.957 -9.957 677 1HD2 LEU 87 HD23 LEU 87 18.469 -11.450 -11.450 678 2HD2 LEU 87 HD22 LEU 87 17.787 -13.036 -13.036 679 3HD2 LEU 87 HD21 LEU 87 16.727 -11.684 -11.684 680 H LEU 88 HN LEU 88 21.505 -11.713 -11.713 681 HA LEU 88 HA LEU 88 22.489 -12.772 -12.772 682 1HB LEU 88 HB2 LEU 88 24.619 -11.777 -11.777 683 2HB LEU 88 HB1 LEU 88 23.381 -10.688 -10.688 684 HG LEU 88 HG LEU 88 25.087 -10.744 -10.744 685 1HD1 LEU 88 HD13 LEU 88 22.652 -11.005 -11.005 686 2HD1 LEU 88 HD12 LEU 88 23.051 -12.686 -12.686 687 3HD1 LEU 88 HD11 LEU 88 23.868 -11.379 -11.379 688 1HD2 LEU 88 HD22 LEU 88 25.786 -13.227 -13.227 689 2HD2 LEU 88 HD21 LEU 88 26.341 -12.547 -12.547 690 3HD2 LEU 88 HD23 LEU 88 24.980 -13.659 -13.659 691 H SER 89 HN SER 89 22.160 -14.268 -14.268 692 HA SER 89 HA SER 89 24.366 -16.079 -16.079 693 1HB SER 89 HB2 SER 89 22.518 -15.725 -15.725 694 2HB SER 89 HB1 SER 89 21.537 -16.812 -16.812 695 HG SER 89 HG SER 89 23.839 -17.303 -17.303 696 H LYS 90 HN LYS 90 21.675 -15.562 -15.562 697 HA LYS 90 HA LYS 90 21.854 -18.187 -18.187 698 1HB LYS 90 HB2 LYS 90 19.691 -17.078 -17.078 699 2HB LYS 90 HB1 LYS 90 19.778 -16.046 -16.046 700 1HG LYS 90 HG2 LYS 90 20.030 -18.210 -18.210 701 2HG LYS 90 HG1 LYS 90 19.542 -19.028 -19.028 702 1HD LYS 90 HD2 LYS 90 17.590 -18.674 -18.674 703 2HD LYS 90 HD1 LYS 90 17.445 -17.710 -17.710 704 1HE LYS 90 HE2 LYS 90 17.080 -16.699 -16.699 705 2HE LYS 90 HE1 LYS 90 17.615 -15.738 -15.738 706 1HZ LYS 90 HZ3 LYS 90 19.944 -16.400 -16.400 707 2HZ LYS 90 HZ2 LYS 90 19.247 -16.934 -16.934 708 3HZ LYS 90 HZ1 LYS 90 19.134 -15.300 -15.300 709 H GLY 91 HN GLY 91 22.478 -14.792 -14.792 710 1HA GLY 91 HA2 GLY 91 24.231 -14.595 -14.595 711 2HA GLY 91 HA1 GLY 91 22.825 -15.024 -15.024 712 H ALA 92 HN ALA 92 21.224 -13.466 -13.466 713 HA ALA 92 HA ALA 92 20.538 -11.247 -11.247 714 1HB ALA 92 HB2 ALA 92 20.369 -11.878 -11.878 715 2HB ALA 92 HB1 ALA 92 20.809 -10.181 -10.181 716 3HB ALA 92 HB3 ALA 92 19.355 -10.774 -10.774 717 H ASP 93 HN ASP 93 23.642 -11.810 -11.810 718 HA ASP 93 HA ASP 93 25.597 -10.482 -10.482 719 1HB ASP 93 HB2 ASP 93 23.640 -8.959 -8.959 720 2HB ASP 93 HB1 ASP 93 25.324 -8.505 -8.505 721 H LYS 94 HN LYS 94 24.305 -7.437 -7.437 722 HA LYS 94 HA LYS 94 23.451 -6.819 -6.819 723 1HB LYS 94 HB2 LYS 94 25.536 -5.337 -5.337 724 2HB LYS 94 HB1 LYS 94 25.636 -7.062 -7.062 725 1HG LYS 94 HG2 LYS 94 27.066 -7.482 -7.482 726 2HG LYS 94 HG1 LYS 94 26.344 -6.247 -6.247 727 1HD LYS 94 HD2 LYS 94 28.002 -5.537 -5.537 728 2HD LYS 94 HD1 LYS 94 28.729 -5.798 -5.798 729 1HE LYS 94 HE2 LYS 94 26.923 -4.088 -4.088 730 2HE LYS 94 HE1 LYS 94 26.818 -3.640 -3.640 731 1HZ LYS 94 HZ3 LYS 94 29.334 -3.460 -3.460 732 2HZ LYS 94 HZ2 LYS 94 29.165 -3.489 -3.489 733 3HZ LYS 94 HZ1 LYS 94 28.447 -2.244 -2.244 734 H THR 95 HN THR 95 24.770 -5.773 -5.773 735 HA THR 95 HA THR 95 22.868 -3.468 -3.468 736 HB THR 95 HB THR 95 24.571 -2.093 -2.093 737 HG1 THR 95 HG1 THR 95 26.011 -4.408 -4.408 738 1HG2 THR 95 HG22 THR 95 24.997 -2.982 -2.982 739 2HG2 THR 95 HG21 THR 95 26.055 -1.773 -1.773 740 3HG2 THR 95 HG23 THR 95 24.319 -1.471 -1.471 741 H VAL 96 HN VAL 96 22.389 -5.922 -5.922 742 HA VAL 96 HA VAL 96 23.218 -5.848 -5.848 743 HB VAL 96 HB VAL 96 21.466 -7.579 -7.579 744 1HG1 VAL 96 HG12 VAL 96 21.181 -7.466 -7.466 745 2HG1 VAL 96 HG11 VAL 96 20.628 -8.807 -8.807 746 3HG1 VAL 96 HG13 VAL 96 19.904 -7.214 -7.214 747 1HG2 VAL 96 HG21 VAL 96 23.954 -7.935 -7.935 748 2HG2 VAL 96 HG23 VAL 96 22.857 -9.314 -9.314 749 3HG2 VAL 96 HG22 VAL 96 23.298 -8.447 -8.447 750 H LYS 97 HN LYS 97 21.240 -3.835 -3.835 751 HA LYS 97 HA LYS 97 19.961 -2.949 -2.949 752 1HB LYS 97 HB2 LYS 97 18.628 -4.988 -4.988 753 2HB LYS 97 HB1 LYS 97 17.784 -3.559 -3.559 754 1HG LYS 97 HG2 LYS 97 16.613 -4.184 -4.184 755 2HG LYS 97 HG1 LYS 97 17.645 -2.857 -2.857 756 1HD LYS 97 HD2 LYS 97 19.165 -4.316 -4.316 757 2HD LYS 97 HD1 LYS 97 18.553 -5.735 -5.735 758 1HE LYS 97 HE2 LYS 97 17.832 -5.174 -5.174 759 2HE LYS 97 HE1 LYS 97 16.720 -5.943 -5.943 760 1HZ LYS 97 HZ2 LYS 97 16.852 -3.014 -3.014 761 2HZ LYS 97 HZ1 LYS 97 16.024 -3.826 -3.826 762 3HZ LYS 97 HZ3 LYS 97 15.539 -4.027 -4.027 763 H GLY 98 HN GLY 98 20.786 -2.280 -2.280 764 1HA GLY 98 HA2 GLY 98 19.026 0.022 0.022 765 2HA GLY 98 HA1 GLY 98 20.453 -0.319 -0.319 766 HA PRO 99 HA PRO 99 20.991 3.468 3.468 767 1HB PRO 99 HB2 PRO 99 22.424 4.265 4.265 768 2HB PRO 99 HB1 PRO 99 21.352 5.233 5.233 769 1HG PRO 99 HG2 PRO 99 20.619 4.126 4.126 770 2HG PRO 99 HG1 PRO 99 19.465 4.584 4.584 771 1HD PRO 99 HD2 PRO 99 20.178 1.893 1.893 772 2HD PRO 99 HD1 PRO 99 18.888 2.368 2.368 773 H ASP 100 HN ASP 100 23.347 2.628 2.628 774 HA ASP 100 HA ASP 100 25.078 1.220 1.220 775 1HB ASP 100 HB2 ASP 100 25.415 3.684 3.684 776 2HB ASP 100 HB1 ASP 100 26.083 3.885 3.885 777 H GLY 101 HN GLY 101 27.146 2.700 2.700 778 1HA GLY 101 HA2 GLY 101 27.363 0.498 0.498 779 2HA GLY 101 HA1 GLY 101 28.149 2.060 2.060 780 H LEU 102 HN LEU 102 24.856 2.689 2.689 781 HA LEU 102 HA LEU 102 24.567 3.546 3.546 782 1HB LEU 102 HB2 LEU 102 22.961 4.170 4.170 783 2HB LEU 102 HB1 LEU 102 22.276 2.548 2.548 784 HG LEU 102 HG LEU 102 22.522 4.340 4.340 785 1HD1 LEU 102 HD11 LEU 102 21.128 5.408 5.408 786 2HD1 LEU 102 HD13 LEU 102 19.973 4.101 4.101 787 3HD1 LEU 102 HD12 LEU 102 20.364 5.234 5.234 788 1HD2 LEU 102 HD22 LEU 102 21.277 1.709 1.709 789 2HD2 LEU 102 HD21 LEU 102 21.941 2.424 2.424 790 3HD2 LEU 102 HD23 LEU 102 20.315 2.817 2.817 791 H THR 103 HN THR 103 22.876 0.735 0.735 792 HA THR 103 HA THR 103 21.912 -0.926 -0.926 793 HB THR 103 HB THR 103 23.667 -2.174 -2.174 794 HG1 THR 103 HG1 THR 103 23.093 -2.516 -2.516 795 1HG2 THR 103 HG22 THR 103 25.456 -0.295 -0.295 796 2HG2 THR 103 HG21 THR 103 26.048 -1.704 -1.704 797 3HG2 THR 103 HG23 THR 103 25.269 -0.394 -0.394 798 H ALA 104 HN ALA 104 24.499 -1.105 -1.105 799 HA ALA 104 HA ALA 104 22.877 -0.117 -0.117 800 1HB ALA 104 HB1 ALA 104 25.389 -1.660 -1.660 801 2HB ALA 104 HB3 ALA 104 24.899 -1.102 -1.102 802 3HB ALA 104 HB2 ALA 104 23.868 -2.208 -2.208 803 H LEU 105 HN LEU 105 25.769 0.774 0.774 804 HA LEU 105 HA LEU 105 27.064 2.417 2.417 805 1HB LEU 105 HB2 LEU 105 26.768 3.082 3.082 806 2HB LEU 105 HB1 LEU 105 28.094 3.486 3.486 807 HG LEU 105 HG LEU 105 27.297 0.740 0.740 808 1HD1 LEU 105 HD13 LEU 105 28.590 2.453 2.453 809 2HD1 LEU 105 HD12 LEU 105 29.941 2.115 2.115 810 3HD1 LEU 105 HD11 LEU 105 29.206 0.810 0.810 811 1HD2 LEU 105 HD21 LEU 105 29.234 1.721 1.721 812 2HD2 LEU 105 HD23 LEU 105 28.053 0.412 0.412 813 3HD2 LEU 105 HD22 LEU 105 29.516 0.205 0.205 814 H GLU 106 HN GLU 106 25.101 3.853 3.853 815 HA GLU 106 HA GLU 106 24.995 6.261 6.261 816 1HB GLU 106 HB2 GLU 106 24.998 7.060 7.060 817 2HB GLU 106 HB1 GLU 106 24.502 5.534 5.534 818 1HG GLU 106 HG2 GLU 106 22.777 6.932 6.932 819 2HG GLU 106 HG1 GLU 106 22.103 6.240 6.240 820 H ALA 107 HN ALA 107 23.348 3.475 3.475 821 HA ALA 107 HA ALA 107 20.654 4.426 4.426 822 1HB ALA 107 HB1 ALA 107 22.088 1.975 1.975 823 2HB ALA 107 HB3 ALA 107 20.374 2.263 2.263 824 3HB ALA 107 HB2 ALA 107 20.978 2.092 2.092 825 H THR 108 HN THR 108 23.098 3.565 3.565 826 HA THR 108 HA THR 108 21.796 5.582 5.582 827 HB THR 108 HB THR 108 20.530 3.443 3.443 828 HG1 THR 108 HG1 THR 108 20.233 3.985 3.985 829 1HG2 THR 108 HG23 THR 108 22.778 2.139 2.139 830 2HG2 THR 108 HG22 THR 108 22.932 2.289 2.289 831 3HG2 THR 108 HG21 THR 108 21.540 1.472 1.472 832 H ASP 109 HN ASP 109 22.763 4.274 4.274 833 HA ASP 109 HA ASP 109 25.701 4.363 4.363 834 1HB ASP 109 HB2 ASP 109 24.862 6.701 6.701 835 2HB ASP 109 HB1 ASP 109 24.136 6.077 6.077 836 H ASN 110 HN ASN 110 22.942 2.850 2.850 837 HA ASN 110 HA ASN 110 24.134 2.010 2.010 838 1HB ASN 110 HB2 ASN 110 22.223 0.507 0.507 839 2HB ASN 110 HB1 ASN 110 21.645 2.102 2.102 840 1HD2 ASN 110 HD21 ASN 110 22.989 1.063 1.063 841 2HD2 ASN 110 HD22 ASN 110 21.675 0.265 0.265 842 H GLN 111 HN GLN 111 25.382 0.202 0.202 843 HA GLN 111 HA GLN 111 26.646 -0.806 -0.806 844 1HB GLN 111 HB2 GLN 111 27.885 -0.458 -0.458 845 2HB GLN 111 HB1 GLN 111 26.844 -1.530 -1.530 846 1HG GLN 111 HG2 GLN 111 27.743 -3.473 -3.473 847 2HG GLN 111 HG1 GLN 111 28.291 -2.624 -2.624 848 1HE2 GLN 111 HE21 GLN 111 29.001 -2.931 -2.931 849 2HE2 GLN 111 HE22 GLN 111 30.634 -2.489 -2.489 850 H ALA 112 HN ALA 112 23.642 -1.710 -1.710 851 HA ALA 112 HA ALA 112 24.011 -4.618 -4.618 852 1HB ALA 112 HB3 ALA 112 21.504 -2.930 -2.930 853 2HB ALA 112 HB2 ALA 112 21.530 -4.693 -4.693 854 3HB ALA 112 HB1 ALA 112 22.177 -3.847 -3.847 855 H ILE 113 HN ILE 113 22.796 -1.898 -1.898 856 HA ILE 113 HA ILE 113 22.159 -3.249 -3.249 857 HB ILE 113 HB ILE 113 22.640 -0.455 -0.455 858 1HG1 ILE 113 HG12 ILE 113 20.377 -0.163 -0.163 859 2HG1 ILE 113 HG11 ILE 113 20.331 -1.917 -1.917 860 1HG2 ILE 113 HG23 ILE 113 22.739 -1.282 -1.282 861 2HG2 ILE 113 HG22 ILE 113 22.123 0.305 0.305 862 3HG2 ILE 113 HG21 ILE 113 23.769 -0.140 -0.140 863 1HD1 ILE 113 HD13 ILE 113 20.930 -1.436 -1.436 864 2HD1 ILE 113 HD12 ILE 113 19.994 0.009 0.009 865 3HD1 ILE 113 HD11 ILE 113 19.289 -1.586 -1.586 866 H LYS 114 HN LYS 114 24.735 -1.217 -1.217 867 HA LYS 114 HA LYS 114 26.407 -1.450 -1.450 868 1HB LYS 114 HB2 LYS 114 27.516 -1.142 -1.142 869 2HB LYS 114 HB1 LYS 114 28.028 -0.343 -0.343 870 1HG LYS 114 HG2 LYS 114 25.236 0.360 0.360 871 2HG LYS 114 HG1 LYS 114 26.279 0.727 0.727 872 1HD LYS 114 HD2 LYS 114 26.043 2.637 2.637 873 2HD LYS 114 HD1 LYS 114 27.701 2.065 2.065 874 1HE LYS 114 HE2 LYS 114 26.100 0.802 0.802 875 2HE LYS 114 HE1 LYS 114 25.957 2.550 2.550 876 1HZ LYS 114 HZ3 LYS 114 28.604 1.343 1.343 877 2HZ LYS 114 HZ2 LYS 114 27.917 1.381 1.381 878 3HZ LYS 114 HZ1 LYS 114 28.189 2.828 2.828 879 H ALA 115 HN ALA 115 25.413 -3.791 -3.791 880 HA ALA 115 HA ALA 115 27.750 -5.459 -5.459 881 1HB ALA 115 HB3 ALA 115 25.590 -5.656 -5.656 882 2HB ALA 115 HB2 ALA 115 24.938 -6.544 -6.544 883 3HB ALA 115 HB1 ALA 115 26.378 -7.134 -7.134 884 H LEU 116 HN LEU 116 24.918 -5.028 -5.028 885 HA LEU 116 HA LEU 116 25.716 -7.191 -7.191 886 1HB LEU 116 HB2 LEU 116 23.679 -5.063 -5.063 887 2HB LEU 116 HB1 LEU 116 24.318 -5.526 -5.526 888 HG LEU 116 HG LEU 116 22.973 -7.337 -7.337 889 1HD1 LEU 116 HD12 LEU 116 22.307 -6.433 -6.433 890 2HD1 LEU 116 HD11 LEU 116 21.419 -7.691 -7.691 891 3HD1 LEU 116 HD13 LEU 116 21.415 -6.035 -6.035 892 1HD2 LEU 116 HD21 LEU 116 24.804 -7.935 -7.935 893 2HD2 LEU 116 HD23 LEU 116 24.444 -8.906 -8.906 894 3HD2 LEU 116 HD22 LEU 116 23.328 -8.896 -8.896 895 H LEU 117 HN LEU 117 26.893 -3.951 -3.951 896 HA LEU 117 HA LEU 117 28.045 -4.024 -4.024 897 1HB LEU 117 HB2 LEU 117 28.584 -1.841 -1.841 898 2HB LEU 117 HB1 LEU 117 27.479 -2.027 -2.027 899 HG LEU 117 HG LEU 117 29.588 -2.767 -2.767 900 1HD1 LEU 117 HD13 LEU 117 30.828 -2.163 -2.163 901 2HD1 LEU 117 HD12 LEU 117 31.380 -0.978 -0.978 902 3HD1 LEU 117 HD11 LEU 117 31.588 -2.690 -2.690 903 1HD2 LEU 117 HD23 LEU 117 28.206 -0.494 -0.494 904 2HD2 LEU 117 HD22 LEU 117 29.740 -0.618 -0.618 905 3HD2 LEU 117 HD21 LEU 117 29.673 0.155 0.155 906 H GLN 118 HN GLN 118 28.561 -5.836 -5.836 907 HA GLN 118 HA GLN 118 31.381 -5.898 -5.898 908 1HB GLN 118 HB2 GLN 118 30.999 -8.193 -8.193 909 2HB GLN 118 HB1 GLN 118 29.750 -7.112 -7.112 910 1HG GLN 118 HG2 GLN 118 28.469 -8.910 -8.910 911 2HG GLN 118 HG1 GLN 118 28.421 -7.838 -7.838 912 1HE2 GLN 118 HE21 GLN 118 28.748 -8.971 -8.971 913 2HE2 GLN 118 HE22 GLN 118 29.755 -10.326 -10.326 Start of MODEL 32 1 1H MET 1 HT3 MET 1 -10.474 -9.057 -9.057 2 2H MET 1 HT2 MET 1 -11.976 -9.841 -9.841 3 3H MET 1 HT1 MET 1 -11.870 -8.297 -8.297 4 HA MET 1 HA MET 1 -11.360 -7.285 -7.285 5 1HB MET 1 HB2 MET 1 -13.363 -8.115 -8.115 6 2HB MET 1 HB1 MET 1 -13.713 -7.571 -7.571 7 1HG MET 1 HG2 MET 1 -13.825 -9.812 -9.812 8 2HG MET 1 HG1 MET 1 -13.147 -10.464 -10.464 9 1HE MET 1 HE2 MET 1 -14.996 -12.202 -12.202 10 2HE MET 1 HE1 MET 1 -16.726 -11.868 -11.868 11 3HE MET 1 HE3 MET 1 -15.722 -11.583 -11.583 12 H CYS 2 HN CYS 2 -12.029 -8.337 -8.337 13 HA CYS 2 HA CYS 2 -10.901 -9.336 -9.336 14 1HB CYS 2 HB2 CYS 2 -10.376 -11.599 -11.599 15 2HB CYS 2 HB1 CYS 2 -10.580 -11.694 -11.694 16 HG CYS 2 HG CYS 2 -13.131 -10.851 -10.851 17 H ASP 3 HN ASP 3 -9.344 -8.074 -8.074 18 HA ASP 3 HA ASP 3 -6.780 -9.170 -9.170 19 1HB ASP 3 HB2 ASP 3 -7.563 -6.247 -6.247 20 2HB ASP 3 HB1 ASP 3 -5.996 -6.858 -6.858 21 H LYS 4 HN LYS 4 -8.017 -6.865 -6.865 22 HA LYS 4 HA LYS 4 -5.751 -6.335 -6.335 23 1HB LYS 4 HB2 LYS 4 -8.438 -7.013 -7.013 24 2HB LYS 4 HB1 LYS 4 -7.215 -5.922 -5.922 25 1HG LYS 4 HG2 LYS 4 -7.505 -4.586 -4.586 26 2HG LYS 4 HG1 LYS 4 -8.976 -5.530 -5.530 27 1HD LYS 4 HD2 LYS 4 -8.360 -3.871 -3.871 28 2HD LYS 4 HD1 LYS 4 -9.420 -3.367 -3.367 29 1HE LYS 4 HE2 LYS 4 -10.906 -4.261 -4.261 30 2HE LYS 4 HE1 LYS 4 -10.700 -5.576 -5.576 31 1HZ LYS 4 HZ2 LYS 4 -8.701 -5.591 -5.591 32 2HZ LYS 4 HZ1 LYS 4 -10.270 -5.719 -5.719 33 3HZ LYS 4 HZ3 LYS 4 -9.734 -6.839 -6.839 34 H GLU 5 HN GLU 5 -8.035 -8.988 -8.988 35 HA GLU 5 HA GLU 5 -6.707 -10.279 -10.279 36 1HB GLU 5 HB2 GLU 5 -8.893 -10.967 -10.967 37 2HB GLU 5 HB1 GLU 5 -7.997 -11.718 -11.718 38 1HG GLU 5 HG2 GLU 5 -6.764 -13.082 -13.082 39 2HG GLU 5 HG1 GLU 5 -7.917 -12.461 -12.461 40 H PHE 6 HN PHE 6 -5.805 -10.399 -10.399 41 HA PHE 6 HA PHE 6 -3.882 -12.522 -12.522 42 1HB PHE 6 HB2 PHE 6 -4.716 -12.218 -12.218 43 2HB PHE 6 HB1 PHE 6 -4.301 -10.507 -10.507 44 HD1 PHE 6 HD2 PHE 6 -2.309 -13.575 -13.575 45 HD2 PHE 6 HD1 PHE 6 -2.643 -10.148 -10.148 46 HE1 PHE 6 HE2 PHE 6 -0.098 -14.089 -14.089 47 HE2 PHE 6 HE1 PHE 6 -0.428 -10.673 -10.673 48 HZ PHE 6 HZ PHE 6 0.844 -12.644 -12.644 49 H MET 7 HN MET 7 -3.222 -9.089 -9.089 50 HA MET 7 HA MET 7 -0.503 -9.190 -9.190 51 1HB MET 7 HB2 MET 7 -0.434 -6.882 -6.882 52 2HB MET 7 HB1 MET 7 -1.837 -7.329 -7.329 53 1HG MET 7 HG2 MET 7 -3.187 -6.875 -6.875 54 2HG MET 7 HG1 MET 7 -1.745 -6.000 -6.000 55 1HE MET 7 HE1 MET 7 -4.111 -6.805 -6.805 56 2HE MET 7 HE3 MET 7 -4.823 -5.277 -5.277 57 3HE MET 7 HE2 MET 7 -3.405 -5.914 -5.914 58 H TRP 8 HN TRP 8 -3.373 -8.562 -8.562 59 HA TRP 8 HA TRP 8 -2.215 -7.514 -7.514 60 1HB TRP 8 HB2 TRP 8 -4.678 -7.821 -7.821 61 2HB TRP 8 HB1 TRP 8 -4.481 -9.514 -9.514 62 HD1 TRP 8 HD1 TRP 8 -4.287 -10.082 -10.082 63 HE1 TRP 8 HE1 TRP 8 -4.430 -8.683 -8.683 64 HE3 TRP 8 HE3 TRP 8 -4.082 -5.382 -5.382 65 HZ2 TRP 8 HZ2 TRP 8 -4.450 -5.936 -5.936 66 HZ3 TRP 8 HZ3 TRP 8 -4.161 -3.391 -3.391 67 HH2 TRP 8 HH2 TRP 8 -4.341 -3.663 -3.663 68 H ALA 9 HN ALA 9 -1.590 -10.616 -10.616 69 HA ALA 9 HA ALA 9 -1.002 -11.800 -11.800 70 1HB ALA 9 HB2 ALA 9 -1.953 -13.189 -13.189 71 2HB ALA 9 HB1 ALA 9 -0.513 -12.874 -12.874 72 3HB ALA 9 HB3 ALA 9 -0.383 -13.794 -13.794 73 H LEU 10 HN LEU 10 0.736 -10.704 -10.704 74 HA LEU 10 HA LEU 10 3.356 -11.283 -11.283 75 1HB LEU 10 HB2 LEU 10 2.502 -9.084 -9.084 76 2HB LEU 10 HB1 LEU 10 4.152 -9.644 -9.644 77 HG LEU 10 HG LEU 10 2.998 -12.014 -12.014 78 1HD1 LEU 10 HD12 LEU 10 0.781 -10.792 -10.792 79 2HD1 LEU 10 HD11 LEU 10 1.539 -10.076 -10.076 80 3HD1 LEU 10 HD13 LEU 10 1.326 -11.821 -11.821 81 1HD2 LEU 10 HD23 LEU 10 4.244 -9.891 -9.891 82 2HD2 LEU 10 HD22 LEU 10 4.856 -11.485 -11.485 83 3HD2 LEU 10 HD21 LEU 10 3.593 -11.329 -11.329 84 H LYS 11 HN LYS 11 1.040 -9.261 -9.261 85 HA LYS 11 HA LYS 11 2.753 -7.041 -7.041 86 1HB LYS 11 HB2 LYS 11 0.528 -6.534 -6.534 87 2HB LYS 11 HB1 LYS 11 -0.128 -7.795 -7.795 88 1HG LYS 11 HG2 LYS 11 0.275 -6.539 -6.539 89 2HG LYS 11 HG1 LYS 11 1.433 -5.482 -5.482 90 1HD LYS 11 HD2 LYS 11 -0.296 -4.347 -4.347 91 2HD LYS 11 HD1 LYS 11 -1.499 -5.552 -5.552 92 1HE LYS 11 HE2 LYS 11 -1.867 -3.648 -3.648 93 2HE LYS 11 HE1 LYS 11 -1.092 -4.870 -4.870 94 1HZ LYS 11 HZ2 LYS 11 0.336 -2.666 -2.666 95 2HZ LYS 11 HZ1 LYS 11 -0.113 -2.645 -2.645 96 3HZ LYS 11 HZ3 LYS 11 1.014 -3.789 -3.789 97 H ASN 12 HN ASN 12 0.386 -8.913 -8.913 98 HA ASN 12 HA ASN 12 1.949 -8.461 -8.461 99 1HB ASN 12 HB2 ASN 12 -0.807 -9.194 -9.194 100 2HB ASN 12 HB1 ASN 12 -0.224 -10.092 -10.092 101 1HD2 ASN 12 HD21 ASN 12 -0.591 -9.031 -9.031 102 2HD2 ASN 12 HD22 ASN 12 -0.673 -7.347 -7.347 103 H GLY 13 HN GLY 13 2.542 -10.617 -10.617 104 1HA GLY 13 HA2 GLY 13 3.933 -12.509 -12.509 105 2HA GLY 13 HA1 GLY 13 3.693 -12.477 -12.477 106 H ASP 14 HN ASP 14 0.828 -12.419 -12.419 107 HA ASP 14 HA ASP 14 -0.014 -14.932 -14.932 108 1HB ASP 14 HB2 ASP 14 -1.393 -13.867 -13.867 109 2HB ASP 14 HB1 ASP 14 -2.052 -14.560 -14.560 110 H LEU 15 HN LEU 15 2.228 -15.493 -15.493 111 HA LEU 15 HA LEU 15 2.794 -16.102 -16.102 112 1HB LEU 15 HB2 LEU 15 4.370 -16.207 -16.207 113 2HB LEU 15 HB1 LEU 15 3.517 -17.567 -17.567 114 HG LEU 15 HG LEU 15 5.647 -18.082 -18.082 115 1HD1 LEU 15 HD12 LEU 15 3.344 -19.576 -19.576 116 2HD1 LEU 15 HD11 LEU 15 3.622 -19.635 -19.635 117 3HD1 LEU 15 HD13 LEU 15 4.874 -20.167 -20.167 118 1HD2 LEU 15 HD22 LEU 15 4.968 -16.403 -16.403 119 2HD2 LEU 15 HD21 LEU 15 5.691 -17.922 -17.922 120 3HD2 LEU 15 HD23 LEU 15 3.947 -17.700 -17.700 121 H ASP 16 HN ASP 16 0.621 -17.678 -17.678 122 HA ASP 16 HA ASP 16 0.330 -20.170 -20.170 123 1HB ASP 16 HB2 ASP 16 -1.543 -18.546 -18.546 124 2HB ASP 16 HB1 ASP 16 -1.903 -20.174 -20.174 125 H GLU 17 HN GLU 17 -1.123 -16.978 -16.978 126 HA GLU 17 HA GLU 17 -3.121 -17.961 -17.961 127 1HB GLU 17 HB2 GLU 17 -2.231 -15.290 -15.290 128 2HB GLU 17 HB1 GLU 17 -3.094 -15.318 -15.318 129 1HG GLU 17 HG2 GLU 17 -5.036 -16.250 -16.250 130 2HG GLU 17 HG1 GLU 17 -4.172 -16.768 -16.768 131 H VAL 18 HN VAL 18 0.005 -16.245 -16.245 132 HA VAL 18 HA VAL 18 -0.128 -16.191 -16.191 133 HB VAL 18 HB VAL 18 2.596 -16.313 -16.313 134 1HG1 VAL 18 HG12 VAL 18 1.063 -14.357 -14.357 135 2HG1 VAL 18 HG11 VAL 18 1.312 -13.683 -13.683 136 3HG1 VAL 18 HG13 VAL 18 2.693 -14.065 -14.065 137 1HG2 VAL 18 HG23 VAL 18 1.747 -16.596 -16.596 138 2HG2 VAL 18 HG22 VAL 18 3.112 -15.564 -15.564 139 3HG2 VAL 18 HG21 VAL 18 1.521 -14.852 -14.852 140 H LYS 19 HN LYS 19 0.840 -18.521 -18.521 141 HA LYS 19 HA LYS 19 2.249 -20.317 -20.317 142 1HB LYS 19 HB2 LYS 19 2.185 -20.442 -20.442 143 2HB LYS 19 HB1 LYS 19 0.497 -20.863 -20.863 144 1HG LYS 19 HG2 LYS 19 1.625 -22.924 -22.924 145 2HG LYS 19 HG1 LYS 19 1.203 -22.900 -22.900 146 1HD LYS 19 HD2 LYS 19 3.506 -23.661 -23.661 147 2HD LYS 19 HD1 LYS 19 3.490 -22.119 -22.119 148 1HE LYS 19 HE2 LYS 19 5.153 -22.576 -22.576 149 2HE LYS 19 HE1 LYS 19 4.430 -20.985 -20.985 150 1HZ LYS 19 HZ1 LYS 19 3.107 -23.059 -23.059 151 2HZ LYS 19 HZ3 LYS 19 4.288 -22.039 -22.039 152 3HZ LYS 19 HZ2 LYS 19 2.860 -21.378 -21.378 153 H ASP 20 HN ASP 20 -1.129 -19.682 -19.682 154 HA ASP 20 HA ASP 20 -2.043 -22.099 -22.099 155 1HB ASP 20 HB2 ASP 20 -3.463 -20.558 -20.558 156 2HB ASP 20 HB1 ASP 20 -3.438 -19.416 -19.416 157 H TYR 21 HN TYR 21 -1.236 -18.850 -18.850 158 HA TYR 21 HA TYR 21 -2.106 -19.227 -19.227 159 1HB TYR 21 HB2 TYR 21 -0.182 -17.374 -17.374 160 2HB TYR 21 HB1 TYR 21 -0.192 -17.416 -17.416 161 HD1 TYR 21 HD1 TYR 21 -2.492 -17.083 -17.083 162 HD2 TYR 21 HD2 TYR 21 -1.802 -16.194 -16.194 163 HE1 TYR 21 HE1 TYR 21 -4.519 -15.661 -15.661 164 HE2 TYR 21 HE2 TYR 21 -3.830 -14.765 -14.765 165 HH TYR 21 HH TYR 21 -5.480 -13.881 -13.881 166 H VAL 22 HN VAL 22 1.286 -19.417 -19.417 167 HA VAL 22 HA VAL 22 2.240 -20.515 -20.515 168 HB VAL 22 HB VAL 22 3.359 -19.804 -19.804 169 1HG1 VAL 22 HG11 VAL 22 3.757 -22.282 -22.282 170 2HG1 VAL 22 HG13 VAL 22 4.646 -22.227 -22.227 171 3HG1 VAL 22 HG12 VAL 22 5.238 -21.339 -21.339 172 1HG2 VAL 22 HG23 VAL 22 3.884 -18.757 -18.757 173 2HG2 VAL 22 HG22 VAL 22 5.318 -19.328 -19.328 174 3HG2 VAL 22 HG21 VAL 22 4.681 -20.244 -20.244 175 H ALA 23 HN ALA 23 0.758 -21.983 -21.983 176 HA ALA 23 HA ALA 23 1.648 -24.632 -24.632 177 1HB ALA 23 HB1 ALA 23 -1.048 -23.491 -23.491 178 2HB ALA 23 HB3 ALA 23 -0.745 -25.223 -25.223 179 3HB ALA 23 HB2 ALA 23 0.178 -24.150 -24.150 180 H LYS 24 HN LYS 24 -0.502 -22.768 -22.768 181 HA LYS 24 HA LYS 24 -1.713 -24.823 -24.823 182 1HB LYS 24 HB2 LYS 24 -0.903 -21.992 -21.992 183 2HB LYS 24 HB1 LYS 24 -1.698 -23.034 -23.034 184 1HG LYS 24 HG2 LYS 24 -2.928 -22.754 -22.754 185 2HG LYS 24 HG1 LYS 24 -3.130 -21.437 -21.437 186 1HD LYS 24 HD2 LYS 24 -4.336 -22.758 -22.758 187 2HD LYS 24 HD1 LYS 24 -3.684 -24.266 -24.266 188 1HE LYS 24 HE2 LYS 24 -5.096 -24.217 -24.217 189 2HE LYS 24 HE1 LYS 24 -5.439 -22.497 -22.497 190 1HZ LYS 24 HZ2 LYS 24 -6.232 -23.736 -23.736 191 2HZ LYS 24 HZ1 LYS 24 -6.824 -24.700 -24.700 192 3HZ LYS 24 HZ3 LYS 24 -7.227 -23.055 -23.055 193 H GLY 25 HN GLY 25 0.672 -22.782 -22.782 194 1HA GLY 25 HA2 GLY 25 2.642 -24.858 -24.858 195 2HA GLY 25 HA1 GLY 25 1.682 -24.682 -24.682 196 H GLU 26 HN GLU 26 4.143 -23.307 -23.307 197 HA GLU 26 HA GLU 26 5.338 -21.271 -21.271 198 1HB GLU 26 HB2 GLU 26 6.419 -21.185 -21.185 199 2HB GLU 26 HB1 GLU 26 6.773 -22.538 -22.538 200 1HG GLU 26 HG2 GLU 26 5.068 -23.902 -23.902 201 2HG GLU 26 HG1 GLU 26 4.622 -22.535 -22.535 202 H ASP 27 HN ASP 27 4.180 -19.446 -19.446 203 HA ASP 27 HA ASP 27 3.369 -18.039 -18.039 204 1HB ASP 27 HB2 ASP 27 1.567 -18.434 -18.434 205 2HB ASP 27 HB1 ASP 27 1.234 -17.324 -17.324 206 H VAL 28 HN VAL 28 5.658 -17.635 -17.635 207 HA VAL 28 HA VAL 28 5.135 -15.364 -15.364 208 HB VAL 28 HB VAL 28 7.370 -15.772 -15.772 209 1HG1 VAL 28 HG12 VAL 28 5.437 -17.049 -17.049 210 2HG1 VAL 28 HG11 VAL 28 5.705 -18.278 -18.278 211 3HG1 VAL 28 HG13 VAL 28 6.900 -18.027 -18.027 212 1HG2 VAL 28 HG22 VAL 28 8.289 -16.660 -16.660 213 2HG2 VAL 28 HG21 VAL 28 8.788 -17.499 -17.499 214 3HG2 VAL 28 HG23 VAL 28 7.532 -18.188 -18.188 215 H ASN 29 HN ASN 29 4.722 -14.529 -14.529 216 HA ASN 29 HA ASN 29 6.660 -12.460 -12.460 217 1HB ASN 29 HB2 ASN 29 7.166 -13.234 -13.234 218 2HB ASN 29 HB1 ASN 29 8.083 -13.948 -13.948 219 1HD2 ASN 29 HD21 ASN 29 7.226 -16.101 -16.101 220 2HD2 ASN 29 HD22 ASN 29 6.461 -17.132 -17.132 221 H ARG 30 HN ARG 30 3.911 -12.526 -12.526 222 HA ARG 30 HA ARG 30 2.736 -11.738 -11.738 223 1HB ARG 30 HB2 ARG 30 1.307 -12.434 -12.434 224 2HB ARG 30 HB1 ARG 30 0.558 -12.114 -12.114 225 1HG ARG 30 HG2 ARG 30 1.882 -14.083 -14.083 226 2HG ARG 30 HG1 ARG 30 2.324 -14.460 -14.460 227 1HD ARG 30 HD2 ARG 30 0.016 -14.784 -14.784 228 2HD ARG 30 HD1 ARG 30 -0.548 -14.153 -14.153 229 HE ARG 30 HE ARG 30 1.028 -16.325 -16.325 230 1HH1 ARG 30 HH21 ARG 30 -1.627 -15.725 -15.725 231 2HH1 ARG 30 HH22 ARG 30 -2.289 -17.318 -17.318 232 1HH2 ARG 30 HH11 ARG 30 0.173 -18.405 -18.405 233 2HH2 ARG 30 HH12 ARG 30 -1.276 -18.828 -18.828 234 H THR 31 HN THR 31 1.976 -9.616 -9.616 235 HA THR 31 HA THR 31 2.988 -7.673 -7.673 236 HB THR 31 HB THR 31 0.493 -7.078 -7.078 237 HG1 THR 31 HG1 THR 31 1.646 -8.292 -8.292 238 1HG2 THR 31 HG23 THR 31 1.815 -5.395 -5.395 239 2HG2 THR 31 HG22 THR 31 3.118 -5.594 -5.594 240 3HG2 THR 31 HG21 THR 31 1.554 -4.957 -4.957 241 H LEU 32 HN LEU 32 2.399 -7.293 -7.293 242 HA LEU 32 HA LEU 32 0.249 -8.570 -8.570 243 1HB LEU 32 HB2 LEU 32 2.470 -7.739 -7.739 244 2HB LEU 32 HB1 LEU 32 1.782 -6.129 -6.129 245 HG LEU 32 HG LEU 32 0.288 -8.344 -8.344 246 1HD1 LEU 32 HD12 LEU 32 2.918 -7.187 -7.187 247 2HD1 LEU 32 HD11 LEU 32 1.702 -7.455 -7.455 248 3HD1 LEU 32 HD13 LEU 32 2.256 -8.798 -8.798 249 1HD2 LEU 32 HD21 LEU 32 0.607 -5.349 -5.349 250 2HD2 LEU 32 HD23 LEU 32 -0.856 -6.251 -6.251 251 3HD2 LEU 32 HD22 LEU 32 -0.153 -6.378 -6.378 252 H GLU 33 HN GLU 33 0.459 -5.052 -5.052 253 HA GLU 33 HA GLU 33 -2.455 -4.914 -4.914 254 1HB GLU 33 HB2 GLU 33 -2.256 -2.695 -2.695 255 2HB GLU 33 HB1 GLU 33 -0.998 -3.619 -3.619 256 1HG GLU 33 HG2 GLU 33 0.583 -2.835 -2.835 257 2HG GLU 33 HG1 GLU 33 -0.684 -1.693 -1.693 258 H GLY 34 HN GLY 34 0.207 -3.435 -3.435 259 1HA GLY 34 HA2 GLY 34 -1.440 -3.540 -3.540 260 2HA GLY 34 HA1 GLY 34 -1.252 -1.900 -1.900 261 H GLY 35 HN GLY 35 1.426 -2.763 -2.763 262 1HA GLY 35 HA2 GLY 35 3.076 -3.269 -3.269 263 2HA GLY 35 HA1 GLY 35 3.165 -1.611 -1.611 264 H ARG 36 HN ARG 36 2.477 -4.000 -4.000 265 HA ARG 36 HA ARG 36 5.300 -3.837 -3.837 266 1HB ARG 36 HB2 ARG 36 2.796 -4.077 -4.077 267 2HB ARG 36 HB1 ARG 36 4.429 -3.774 -3.774 268 1HG ARG 36 HG2 ARG 36 3.141 -1.861 -1.861 269 2HG ARG 36 HG1 ARG 36 2.767 -1.756 -1.756 270 1HD ARG 36 HD2 ARG 36 5.051 -1.346 -1.346 271 2HD ARG 36 HD1 ARG 36 5.604 -1.794 -1.794 272 HE ARG 36 HE ARG 36 3.932 0.361 0.361 273 1HH1 ARG 36 HH21 ARG 36 6.615 -0.346 -0.346 274 2HH1 ARG 36 HH22 ARG 36 7.233 1.272 1.272 275 1HH2 ARG 36 HH11 ARG 36 4.711 2.493 2.493 276 2HH2 ARG 36 HH12 ARG 36 6.149 2.887 2.887 277 H LYS 37 HN LYS 37 6.177 -5.681 -5.681 278 HA LYS 37 HA LYS 37 4.823 -8.229 -8.229 279 1HB LYS 37 HB2 LYS 37 6.996 -9.155 -9.155 280 2HB LYS 37 HB1 LYS 37 7.166 -7.517 -7.517 281 1HG LYS 37 HG2 LYS 37 7.946 -8.509 -8.509 282 2HG LYS 37 HG1 LYS 37 9.018 -8.015 -8.015 283 1HD LYS 37 HD2 LYS 37 7.884 -5.759 -5.759 284 2HD LYS 37 HD1 LYS 37 7.116 -6.266 -6.266 285 1HE LYS 37 HE2 LYS 37 9.153 -6.362 -6.362 286 2HE LYS 37 HE1 LYS 37 10.105 -6.449 -6.449 287 1HZ LYS 37 HZ1 LYS 37 8.510 -4.095 -4.095 288 2HZ LYS 37 HZ3 LYS 37 10.177 -4.256 -4.256 289 3HZ LYS 37 HZ2 LYS 37 9.560 -4.197 -4.197 290 HA PRO 38 HA PRO 38 4.462 -9.302 -9.302 291 1HB PRO 38 HB2 PRO 38 5.025 -12.035 -12.035 292 2HB PRO 38 HB1 PRO 38 3.542 -11.320 -11.320 293 1HG PRO 38 HG2 PRO 38 5.739 -12.608 -12.608 294 2HG PRO 38 HG1 PRO 38 4.147 -12.115 -12.115 295 1HD PRO 38 HD2 PRO 38 6.717 -10.741 -10.741 296 2HD PRO 38 HD1 PRO 38 5.169 -10.378 -10.378 297 H LEU 39 HN LEU 39 7.469 -8.538 -8.538 298 HA LEU 39 HA LEU 39 8.654 -10.113 -10.113 299 1HB LEU 39 HB2 LEU 39 9.738 -10.173 -10.173 300 2HB LEU 39 HB1 LEU 39 10.156 -8.502 -8.502 301 HG LEU 39 HG LEU 39 11.819 -9.009 -9.009 302 1HD1 LEU 39 HD11 LEU 39 10.358 -11.539 -11.539 303 2HD1 LEU 39 HD13 LEU 39 11.931 -11.063 -11.063 304 3HD1 LEU 39 HD12 LEU 39 10.523 -10.072 -10.072 305 1HD2 LEU 39 HD22 LEU 39 12.108 -10.301 -10.301 306 2HD2 LEU 39 HD21 LEU 39 13.110 -10.800 -10.800 307 3HD2 LEU 39 HD23 LEU 39 11.679 -11.734 -11.734 308 H HIS 40 HN HIS 40 7.943 -6.889 -6.889 309 HA HIS 40 HA HIS 40 9.610 -5.513 -5.513 310 1HB HIS 40 HB2 HIS 40 8.760 -4.390 -4.390 311 2HB HIS 40 HB1 HIS 40 7.108 -4.561 -4.561 312 HD1 HIS 40 HD1 HIS 40 10.319 -2.704 -2.704 313 HD2 HIS 40 HD2 HIS 40 6.400 -2.771 -2.771 314 HE1 HIS 40 HE1 HIS 40 10.068 -0.683 -0.683 315 H TYR 41 HN TYR 41 6.208 -6.503 -6.503 316 HA TYR 41 HA TYR 41 5.571 -5.354 -5.354 317 1HB TYR 41 HB2 TYR 41 4.217 -7.700 -7.700 318 2HB TYR 41 HB1 TYR 41 3.507 -6.580 -6.580 319 HD1 TYR 41 HD1 TYR 41 5.015 -6.828 -6.828 320 HD2 TYR 41 HD2 TYR 41 2.582 -4.517 -4.517 321 HE1 TYR 41 HE1 TYR 41 4.420 -5.308 -5.308 322 HE2 TYR 41 HE2 TYR 41 1.988 -2.987 -2.987 323 HH TYR 41 HH TYR 41 2.353 -2.445 -2.445 324 H ALA 42 HN ALA 42 6.618 -8.547 -8.547 325 HA ALA 42 HA ALA 42 6.540 -9.785 -9.785 326 1HB ALA 42 HB2 ALA 42 6.623 -11.021 -11.021 327 2HB ALA 42 HB1 ALA 42 8.293 -10.506 -10.506 328 3HB ALA 42 HB3 ALA 42 7.824 -11.576 -11.576 329 H ALA 43 HN ALA 43 9.286 -8.709 -8.709 330 HA ALA 43 HA ALA 43 11.304 -8.780 -8.780 331 1HB ALA 43 HB3 ALA 43 11.599 -8.243 -8.243 332 2HB ALA 43 HB2 ALA 43 10.895 -6.652 -6.652 333 3HB ALA 43 HB1 ALA 43 12.426 -7.099 -7.099 334 H ASP 44 HN ASP 44 9.517 -5.821 -5.821 335 HA ASP 44 HA ASP 44 10.457 -4.231 -4.231 336 1HB ASP 44 HB2 ASP 44 9.236 -3.475 -3.475 337 2HB ASP 44 HB1 ASP 44 7.736 -3.931 -3.931 338 H CYS 45 HN CYS 45 7.785 -6.554 -6.554 339 HA CYS 45 HA CYS 45 7.653 -6.271 -6.271 340 1HB CYS 45 HB2 CYS 45 5.363 -5.422 -5.422 341 2HB CYS 45 HB1 CYS 45 5.125 -5.869 -5.869 342 HG CYS 45 HG CYS 45 5.837 -3.587 -3.587 343 H GLY 46 HN GLY 46 8.417 -8.511 -8.511 344 1HA GLY 46 HA2 GLY 46 5.993 -10.284 -10.284 345 2HA GLY 46 HA1 GLY 46 7.540 -10.612 -10.612 346 H GLN 47 HN GLN 47 7.659 -9.363 -9.363 347 HA GLN 47 HA GLN 47 8.522 -10.379 -10.379 348 1HB GLN 47 HB2 GLN 47 7.000 -12.812 -12.812 349 2HB GLN 47 HB1 GLN 47 7.468 -12.460 -12.460 350 1HG GLN 47 HG2 GLN 47 5.438 -11.005 -11.005 351 2HG GLN 47 HG1 GLN 47 5.145 -11.896 -11.896 352 1HE2 GLN 47 HE21 GLN 47 4.768 -8.931 -8.931 353 2HE2 GLN 47 HE22 GLN 47 5.543 -8.081 -8.081 354 H LEU 48 HN LEU 48 9.615 -10.764 -10.764 355 HA LEU 48 HA LEU 48 11.503 -11.608 -11.608 356 1HB LEU 48 HB2 LEU 48 12.141 -12.251 -12.251 357 2HB LEU 48 HB1 LEU 48 13.266 -12.462 -12.462 358 HG LEU 48 HG LEU 48 13.911 -10.314 -10.314 359 1HD1 LEU 48 HD13 LEU 48 11.086 -9.484 -9.484 360 2HD1 LEU 48 HD12 LEU 48 12.472 -8.425 -8.425 361 3HD1 LEU 48 HD11 LEU 48 12.410 -9.707 -9.707 362 1HD2 LEU 48 HD23 LEU 48 13.048 -10.511 -10.511 363 2HD2 LEU 48 HD22 LEU 48 12.946 -8.859 -8.859 364 3HD2 LEU 48 HD21 LEU 48 11.500 -9.868 -9.868 365 H GLU 49 HN GLU 49 9.217 -13.559 -13.559 366 HA GLU 49 HA GLU 49 10.641 -16.078 -16.078 367 1HB GLU 49 HB2 GLU 49 8.120 -16.893 -16.893 368 2HB GLU 49 HB1 GLU 49 9.337 -16.688 -16.688 369 1HG GLU 49 HG2 GLU 49 8.560 -14.472 -14.472 370 2HG GLU 49 HG1 GLU 49 7.445 -14.496 -14.496 371 H ILE 50 HN ILE 50 8.008 -13.969 -13.969 372 HA ILE 50 HA ILE 50 7.049 -15.525 -15.525 373 HB ILE 50 HB ILE 50 6.949 -12.531 -12.531 374 1HG1 ILE 50 HG12 ILE 50 5.778 -14.632 -14.632 375 2HG1 ILE 50 HG11 ILE 50 5.805 -12.907 -12.907 376 1HG2 ILE 50 HG22 ILE 50 6.327 -13.440 -13.440 377 2HG2 ILE 50 HG21 ILE 50 5.165 -14.510 -14.510 378 3HG2 ILE 50 HG23 ILE 50 4.935 -12.772 -12.772 379 1HD1 ILE 50 HD12 ILE 50 3.772 -14.114 -14.114 380 2HD1 ILE 50 HD11 ILE 50 3.501 -14.129 -14.129 381 3HD1 ILE 50 HD13 ILE 50 3.696 -12.603 -12.603 382 H LEU 51 HN LEU 51 9.490 -12.930 -12.930 383 HA LEU 51 HA LEU 51 9.709 -12.847 -12.847 384 1HB LEU 51 HB2 LEU 51 12.323 -12.394 -12.394 385 2HB LEU 51 HB1 LEU 51 11.090 -11.162 -11.162 386 HG LEU 51 HG LEU 51 12.357 -11.014 -11.014 387 1HD1 LEU 51 HD11 LEU 51 9.558 -11.142 -11.142 388 2HD1 LEU 51 HD13 LEU 51 9.990 -11.980 -11.980 389 3HD1 LEU 51 HD12 LEU 51 10.538 -10.328 -10.328 390 1HD2 LEU 51 HD23 LEU 51 12.800 -13.578 -13.578 391 2HD2 LEU 51 HD22 LEU 51 12.732 -12.753 -12.753 392 3HD2 LEU 51 HD21 LEU 51 11.336 -13.678 -13.678 393 H GLU 52 HN GLU 52 11.628 -14.874 -14.874 394 HA GLU 52 HA GLU 52 13.095 -16.291 -16.291 395 1HB GLU 52 HB2 GLU 52 11.831 -17.699 -17.699 396 2HB GLU 52 HB1 GLU 52 13.378 -18.022 -18.022 397 1HG GLU 52 HG2 GLU 52 14.190 -15.812 -15.812 398 2HG GLU 52 HG1 GLU 52 12.659 -15.601 -15.601 399 H PHE 53 HN PHE 53 9.704 -16.650 -16.650 400 HA PHE 53 HA PHE 53 9.227 -19.181 -19.181 401 1HB PHE 53 HB2 PHE 53 7.655 -18.136 -18.136 402 2HB PHE 53 HB1 PHE 53 7.332 -16.867 -16.867 403 HD1 PHE 53 HD1 PHE 53 7.448 -20.608 -20.608 404 HD2 PHE 53 HD2 PHE 53 5.414 -17.062 -17.062 405 HE1 PHE 53 HE1 PHE 53 5.707 -22.000 -22.000 406 HE2 PHE 53 HE2 PHE 53 3.675 -18.450 -18.450 407 HZ PHE 53 HZ PHE 53 3.823 -20.918 -20.918 408 H LEU 54 HN LEU 54 7.573 -16.462 -16.462 409 HA LEU 54 HA LEU 54 7.433 -17.682 -17.682 410 1HB LEU 54 HB2 LEU 54 6.652 -15.607 -15.607 411 2HB LEU 54 HB1 LEU 54 6.084 -15.758 -15.758 412 HG LEU 54 HG LEU 54 6.773 -13.531 -13.531 413 1HD1 LEU 54 HD12 LEU 54 7.725 -14.747 -14.747 414 2HD1 LEU 54 HD11 LEU 54 9.221 -14.938 -14.938 415 3HD1 LEU 54 HD13 LEU 54 8.650 -13.340 -13.340 416 1HD2 LEU 54 HD21 LEU 54 8.137 -14.032 -14.032 417 2HD2 LEU 54 HD23 LEU 54 8.507 -12.632 -12.632 418 3HD2 LEU 54 HD22 LEU 54 9.507 -14.077 -14.077 419 H LEU 55 HN LEU 55 10.228 -16.508 -16.508 420 HA LEU 55 HA LEU 55 11.592 -15.876 -15.876 421 1HB LEU 55 HB2 LEU 55 11.877 -14.655 -14.655 422 2HB LEU 55 HB1 LEU 55 12.873 -16.044 -16.044 423 HG LEU 55 HG LEU 55 13.319 -14.270 -14.270 424 1HD1 LEU 55 HD13 LEU 55 14.483 -14.299 -14.299 425 2HD1 LEU 55 HD12 LEU 55 15.466 -13.755 -13.755 426 3HD1 LEU 55 HD11 LEU 55 13.960 -12.927 -12.927 427 1HD2 LEU 55 HD21 LEU 55 14.641 -16.761 -16.761 428 2HD2 LEU 55 HD23 LEU 55 14.284 -16.303 -16.303 429 3HD2 LEU 55 HD22 LEU 55 15.630 -15.559 -15.559 430 H LEU 56 HN LEU 56 11.757 -18.268 -18.268 431 HA LEU 56 HA LEU 56 13.880 -19.748 -19.748 432 1HB LEU 56 HB2 LEU 56 13.463 -21.496 -21.496 433 2HB LEU 56 HB1 LEU 56 12.957 -20.045 -20.045 434 HG LEU 56 HG LEU 56 10.591 -20.688 -20.688 435 1HD1 LEU 56 HD13 LEU 56 11.939 -22.826 -22.826 436 2HD1 LEU 56 HD12 LEU 56 11.521 -23.462 -23.462 437 3HD1 LEU 56 HD11 LEU 56 10.250 -22.939 -22.939 438 1HD2 LEU 56 HD23 LEU 56 11.159 -20.418 -20.418 439 2HD2 LEU 56 HD22 LEU 56 9.922 -21.622 -21.622 440 3HD2 LEU 56 HD21 LEU 56 11.572 -22.132 -22.132 441 H LYS 57 HN LYS 57 10.526 -19.551 -19.551 442 HA LYS 57 HA LYS 57 10.441 -21.926 -21.926 443 1HB LYS 57 HB2 LYS 57 8.402 -20.893 -20.893 444 2HB LYS 57 HB1 LYS 57 8.702 -19.447 -19.447 445 1HG LYS 57 HG2 LYS 57 6.957 -20.825 -20.825 446 2HG LYS 57 HG1 LYS 57 8.359 -20.691 -20.691 447 1HD LYS 57 HD2 LYS 57 7.351 -22.994 -22.994 448 2HD LYS 57 HD1 LYS 57 9.063 -22.920 -22.920 449 1HE LYS 57 HE2 LYS 57 8.699 -23.201 -23.201 450 2HE LYS 57 HE1 LYS 57 7.002 -22.735 -22.735 451 1HZ LYS 57 HZ3 LYS 57 6.850 -24.792 -24.792 452 2HZ LYS 57 HZ2 LYS 57 8.302 -25.263 -25.263 453 3HZ LYS 57 HZ1 LYS 57 6.903 -25.015 -25.015 454 H GLY 58 HN GLY 58 9.376 -19.120 -19.120 455 1HA GLY 58 HA2 GLY 58 11.361 -19.449 -19.449 456 2HA GLY 58 HA1 GLY 58 10.197 -18.119 -18.119 457 H ALA 59 HN ALA 59 11.226 -16.156 -16.156 458 HA ALA 59 HA ALA 59 12.823 -15.627 -15.627 459 1HB ALA 59 HB1 ALA 59 14.310 -16.830 -16.830 460 2HB ALA 59 HB3 ALA 59 15.068 -15.442 -15.442 461 3HB ALA 59 HB2 ALA 59 14.664 -16.849 -16.849 462 H ASP 60 HN ASP 60 11.559 -13.826 -13.826 463 HA ASP 60 HA ASP 60 11.902 -11.933 -11.933 464 1HB ASP 60 HB2 ASP 60 9.782 -12.061 -12.061 465 2HB ASP 60 HB1 ASP 60 10.686 -11.463 -11.463 466 H ILE 61 HN ILE 61 13.820 -13.008 -13.008 467 HA ILE 61 HA ILE 61 14.935 -10.942 -10.942 468 HB ILE 61 HB ILE 61 15.563 -13.375 -13.375 469 1HG1 ILE 61 HG12 ILE 61 17.831 -11.393 -11.393 470 2HG1 ILE 61 HG11 ILE 61 16.949 -11.729 -11.729 471 1HG2 ILE 61 HG21 ILE 61 15.812 -13.347 -13.347 472 2HG2 ILE 61 HG23 ILE 61 17.411 -12.672 -12.672 473 3HG2 ILE 61 HG22 ILE 61 17.002 -14.268 -14.268 474 1HD1 ILE 61 HD12 ILE 61 17.831 -14.255 -14.255 475 2HD1 ILE 61 HD11 ILE 61 19.192 -13.156 -13.156 476 3HD1 ILE 61 HD13 ILE 61 18.422 -13.380 -13.380 477 H ASN 62 HN ASN 62 15.170 -11.498 -11.498 478 HA ASN 62 HA ASN 62 16.805 -9.036 -9.036 479 1HB ASN 62 HB2 ASN 62 18.189 -10.160 -10.160 480 2HB ASN 62 HB1 ASN 62 18.311 -10.994 -10.994 481 1HD2 ASN 62 HD21 ASN 62 15.718 -12.357 -12.357 482 2HD2 ASN 62 HD22 ASN 62 15.848 -13.538 -13.538 483 H ALA 63 HN ALA 63 14.773 -11.465 -11.465 484 HA ALA 63 HA ALA 63 14.048 -10.853 -10.853 485 1HB ALA 63 HB1 ALA 63 12.636 -12.130 -12.130 486 2HB ALA 63 HB3 ALA 63 11.789 -10.606 -10.606 487 3HB ALA 63 HB2 ALA 63 11.789 -11.340 -11.340 488 HA PRO 64 HA PRO 64 11.457 -6.619 -6.619 489 1HB PRO 64 HB2 PRO 64 14.266 -5.813 -5.813 490 2HB PRO 64 HB1 PRO 64 12.743 -5.217 -5.217 491 1HG PRO 64 HG2 PRO 64 14.344 -7.341 -7.341 492 2HG PRO 64 HG1 PRO 64 12.690 -6.923 -6.923 493 1HD PRO 64 HD2 PRO 64 13.322 -9.348 -9.348 494 2HD PRO 64 HD1 PRO 64 11.723 -8.637 -8.637 495 H ASP 65 HN ASP 65 10.908 -5.480 -5.480 496 HA ASP 65 HA ASP 65 12.902 -4.751 -4.751 497 1HB ASP 65 HB2 ASP 65 10.154 -5.982 -5.982 498 2HB ASP 65 HB1 ASP 65 10.953 -5.094 -5.094 499 H LYS 66 HN LYS 66 9.690 -4.235 -4.235 500 HA LYS 66 HA LYS 66 9.469 -1.536 -1.536 501 1HB LYS 66 HB2 LYS 66 7.564 -3.194 -3.194 502 2HB LYS 66 HB1 LYS 66 7.740 -2.891 -2.891 503 1HG LYS 66 HG2 LYS 66 6.145 -1.329 -1.329 504 2HG LYS 66 HG1 LYS 66 7.597 -0.362 -0.362 505 1HD LYS 66 HD2 LYS 66 7.632 -0.709 -0.709 506 2HD LYS 66 HD1 LYS 66 6.234 -1.778 -1.778 507 1HE LYS 66 HE2 LYS 66 4.827 0.034 0.034 508 2HE LYS 66 HE1 LYS 66 6.212 1.114 1.114 509 1HZ LYS 66 HZ1 LYS 66 6.506 0.478 0.478 510 2HZ LYS 66 HZ3 LYS 66 4.841 0.179 0.179 511 3HZ LYS 66 HZ2 LYS 66 5.447 1.721 1.721 512 H HIS 67 HN HIS 67 10.324 -3.126 -3.126 513 HA HIS 67 HA HIS 67 10.304 -0.673 -0.673 514 1HB HIS 67 HB2 HIS 67 11.222 -3.513 -3.513 515 2HB HIS 67 HB1 HIS 67 11.690 -2.269 -2.269 516 HD1 HIS 67 HD1 HIS 67 10.029 -1.580 -1.580 517 HD2 HIS 67 HD2 HIS 67 8.278 -3.818 -3.818 518 HE1 HIS 67 HE1 HIS 67 7.659 -2.071 -2.071 519 H HIS 68 HN HIS 68 12.475 -2.353 -2.353 520 HA HIS 68 HA HIS 68 14.733 -1.975 -1.975 521 1HB HIS 68 HB2 HIS 68 14.362 0.815 0.815 522 2HB HIS 68 HB1 HIS 68 15.355 0.296 0.296 523 HD1 HIS 68 HD1 HIS 68 13.558 -1.147 -1.147 524 HD2 HIS 68 HD2 HIS 68 12.204 2.154 2.154 525 HE1 HIS 68 HE1 HIS 68 11.519 -0.285 -0.285 526 H ILE 69 HN ILE 69 14.060 -3.038 -3.038 527 HA ILE 69 HA ILE 69 16.559 -2.343 -2.343 528 HB ILE 69 HB ILE 69 14.169 -1.053 -1.053 529 1HG1 ILE 69 HG12 ILE 69 16.445 -0.159 -0.159 530 2HG1 ILE 69 HG11 ILE 69 15.621 -0.042 -0.042 531 1HG2 ILE 69 HG23 ILE 69 13.569 -3.115 -3.115 532 2HG2 ILE 69 HG22 ILE 69 15.065 -2.913 -2.913 533 3HG2 ILE 69 HG21 ILE 69 13.812 -1.680 -1.680 534 1HD1 ILE 69 HD11 ILE 69 16.732 -2.323 -2.323 535 2HD1 ILE 69 HD13 ILE 69 17.839 -1.848 -1.848 536 3HD1 ILE 69 HD12 ILE 69 17.657 -0.846 -0.846 537 H THR 70 HN THR 70 16.945 -3.430 -3.430 538 HA THR 70 HA THR 70 16.233 -6.285 -6.285 539 HB THR 70 HB THR 70 18.486 -6.677 -6.677 540 HG1 THR 70 HG1 THR 70 18.129 -4.637 -4.637 541 1HG2 THR 70 HG21 THR 70 18.149 -4.894 -4.894 542 2HG2 THR 70 HG23 THR 70 18.749 -3.764 -3.764 543 3HG2 THR 70 HG22 THR 70 19.766 -5.080 -5.080 544 HA PRO 71 HA PRO 71 14.051 -4.599 -4.599 545 1HB PRO 71 HB2 PRO 71 13.306 -7.396 -7.396 546 2HB PRO 71 HB1 PRO 71 12.248 -6.030 -6.030 547 1HG PRO 71 HG2 PRO 71 12.744 -8.104 -8.104 548 2HG PRO 71 HG1 PRO 71 12.320 -6.464 -6.464 549 1HD PRO 71 HD2 PRO 71 14.964 -7.796 -7.796 550 2HD PRO 71 HD1 PRO 71 14.282 -6.487 -6.487 551 H LEU 72 HN LEU 72 16.717 -6.684 -6.684 552 HA LEU 72 HA LEU 72 16.727 -7.271 -7.271 553 1HB LEU 72 HB2 LEU 72 19.334 -6.517 -6.517 554 2HB LEU 72 HB1 LEU 72 18.941 -7.910 -7.910 555 HG LEU 72 HG LEU 72 19.408 -8.736 -8.736 556 1HD1 LEU 72 HD11 LEU 72 16.507 -8.785 -8.785 557 2HD1 LEU 72 HD13 LEU 72 16.956 -9.359 -9.359 558 3HD1 LEU 72 HD12 LEU 72 17.662 -10.086 -10.086 559 1HD2 LEU 72 HD23 LEU 72 18.225 -6.228 -6.228 560 2HD2 LEU 72 HD22 LEU 72 19.322 -7.283 -7.283 561 3HD2 LEU 72 HD21 LEU 72 17.580 -7.549 -7.549 562 H LEU 73 HN LEU 73 17.382 -4.427 -4.427 563 HA LEU 73 HA LEU 73 18.435 -2.778 -2.778 564 1HB LEU 73 HB2 LEU 73 17.080 -2.111 -2.111 565 2HB LEU 73 HB1 LEU 73 17.731 -0.924 -0.924 566 HG LEU 73 HG LEU 73 19.935 -2.393 -2.393 567 1HD1 LEU 73 HD11 LEU 73 18.471 -2.937 -2.937 568 2HD1 LEU 73 HD13 LEU 73 20.157 -3.316 -3.316 569 3HD1 LEU 73 HD12 LEU 73 18.897 -4.123 -4.123 570 1HD2 LEU 73 HD23 LEU 73 18.889 -0.307 -0.307 571 2HD2 LEU 73 HD22 LEU 73 20.081 -0.165 -0.165 572 3HD2 LEU 73 HD21 LEU 73 20.489 -0.994 -0.994 573 H SER 74 HN SER 74 15.363 -3.970 -3.970 574 HA SER 74 HA SER 74 13.667 -1.977 -1.977 575 1HB SER 74 HB2 SER 74 11.944 -3.563 -3.563 576 2HB SER 74 HB1 SER 74 13.089 -4.141 -4.141 577 HG SER 74 HG SER 74 13.944 -5.506 -5.506 578 H ALA 75 HN ALA 75 14.931 -4.900 -4.900 579 HA ALA 75 HA ALA 75 13.820 -4.223 -4.223 580 1HB ALA 75 HB1 ALA 75 16.024 -6.116 -6.116 581 2HB ALA 75 HB3 ALA 75 15.493 -5.923 -5.923 582 3HB ALA 75 HB2 ALA 75 14.365 -6.510 -6.510 583 H VAL 76 HN VAL 76 16.876 -3.467 -3.467 584 HA VAL 76 HA VAL 76 18.509 -2.682 -2.682 585 HB VAL 76 HB VAL 76 17.971 -1.393 -1.393 586 1HG1 VAL 76 HG13 VAL 76 19.233 0.087 0.087 587 2HG1 VAL 76 HG12 VAL 76 20.570 -0.906 -0.906 588 3HG1 VAL 76 HG11 VAL 76 19.711 0.092 0.092 589 1HG2 VAL 76 HG22 VAL 76 20.105 -3.213 -3.213 590 2HG2 VAL 76 HG21 VAL 76 18.801 -3.655 -3.655 591 3HG2 VAL 76 HG23 VAL 76 20.069 -2.558 -2.558 592 H TYR 77 HN TYR 77 16.376 -0.319 -0.319 593 HA TYR 77 HA TYR 77 16.558 1.462 1.462 594 1HB TYR 77 HB2 TYR 77 14.259 1.779 1.779 595 2HB TYR 77 HB1 TYR 77 15.383 2.991 2.991 596 HD1 TYR 77 HD1 TYR 77 14.808 0.389 0.389 597 HD2 TYR 77 HD2 TYR 77 17.535 3.371 3.371 598 HE1 TYR 77 HE1 TYR 77 16.078 0.263 0.263 599 HE2 TYR 77 HE2 TYR 77 18.806 3.233 3.233 600 HH TYR 77 HH TYR 77 17.878 2.320 2.320 601 H GLU 78 HN GLU 78 15.698 -1.067 -1.067 602 HA GLU 78 HA GLU 78 12.864 -0.438 -0.438 603 1HB GLU 78 HB2 GLU 78 13.339 -2.408 -2.408 604 2HB GLU 78 HB1 GLU 78 13.895 -3.253 -3.253 605 1HG GLU 78 HG2 GLU 78 11.662 -2.528 -2.528 606 2HG GLU 78 HG1 GLU 78 11.132 -2.182 -2.182 607 H GLY 79 HN GLY 79 16.049 -1.511 -1.511 608 1HA GLY 79 HA2 GLY 79 16.922 -1.558 -1.558 609 2HA GLY 79 HA1 GLY 79 15.294 -1.268 -1.268 610 H HIS 80 HN HIS 80 14.787 -3.542 -3.542 611 HA HIS 80 HA HIS 80 14.624 -5.703 -5.703 612 1HB HIS 80 HB2 HIS 80 13.821 -5.350 -5.350 613 2HB HIS 80 HB1 HIS 80 13.979 -6.976 -6.976 614 HD1 HIS 80 HD1 HIS 80 11.783 -7.799 -7.799 615 HD2 HIS 80 HD2 HIS 80 12.191 -3.803 -3.803 616 HE1 HIS 80 HE1 HIS 80 9.687 -7.200 -7.200 617 H VAL 81 HN VAL 81 16.180 -5.398 -5.398 618 HA VAL 81 HA VAL 81 17.826 -6.793 -6.793 619 HB VAL 81 HB VAL 81 20.003 -6.228 -6.228 620 1HG1 VAL 81 HG11 VAL 81 19.122 -5.129 -5.129 621 2HG1 VAL 81 HG13 VAL 81 18.371 -3.927 -3.927 622 3HG1 VAL 81 HG12 VAL 81 20.120 -4.133 -4.133 623 1HG2 VAL 81 HG21 VAL 81 18.649 -5.583 -5.583 624 2HG2 VAL 81 HG23 VAL 81 19.670 -4.280 -4.280 625 3HG2 VAL 81 HG22 VAL 81 17.946 -4.270 -4.270 626 H SER 82 HN SER 82 16.175 -8.152 -8.152 627 HA SER 82 HA SER 82 18.087 -10.185 -10.185 628 1HB SER 82 HB2 SER 82 15.188 -9.520 -9.520 629 2HB SER 82 HB1 SER 82 15.610 -11.227 -11.227 630 HG SER 82 HG SER 82 15.838 -9.510 -9.510 631 H CYS 83 HN CYS 83 16.078 -9.232 -9.232 632 HA CYS 83 HA CYS 83 15.788 -11.855 -11.855 633 1HB CYS 83 HB2 CYS 83 15.106 -9.965 -9.965 634 2HB CYS 83 HB1 CYS 83 13.994 -10.662 -10.662 635 HG CYS 83 HG CYS 83 14.317 -8.581 -8.581 636 H VAL 84 HN VAL 84 17.464 -8.765 -8.765 637 HA VAL 84 HA VAL 84 18.872 -9.499 -9.499 638 HB VAL 84 HB VAL 84 20.736 -8.116 -8.116 639 1HG1 VAL 84 HG11 VAL 84 18.619 -7.101 -7.101 640 2HG1 VAL 84 HG13 VAL 84 18.104 -6.888 -6.888 641 3HG1 VAL 84 HG12 VAL 84 19.538 -6.054 -6.054 642 1HG2 VAL 84 HG22 VAL 84 19.325 -8.513 -8.513 643 2HG2 VAL 84 HG21 VAL 84 21.031 -8.689 -8.689 644 3HG2 VAL 84 HG23 VAL 84 20.316 -7.091 -7.091 645 H LYS 85 HN LYS 85 19.569 -10.336 -10.336 646 HA LYS 85 HA LYS 85 22.022 -11.619 -11.619 647 1HB LYS 85 HB2 LYS 85 19.576 -12.241 -12.241 648 2HB LYS 85 HB1 LYS 85 21.116 -13.036 -13.036 649 1HG LYS 85 HG2 LYS 85 21.505 -10.141 -10.141 650 2HG LYS 85 HG1 LYS 85 20.286 -10.526 -10.526 651 1HD LYS 85 HD2 LYS 85 21.769 -11.772 -11.772 652 2HD LYS 85 HD1 LYS 85 22.885 -12.047 -12.047 653 1HE LYS 85 HE2 LYS 85 23.533 -9.688 -9.688 654 2HE LYS 85 HE1 LYS 85 22.370 -9.355 -9.355 655 1HZ LYS 85 HZ3 LYS 85 23.837 -11.447 -11.447 656 2HZ LYS 85 HZ2 LYS 85 24.995 -10.482 -10.482 657 3HZ LYS 85 HZ1 LYS 85 24.024 -9.820 -9.820 658 H LEU 86 HN LEU 86 19.068 -13.591 -13.591 659 HA LEU 86 HA LEU 86 20.369 -15.843 -15.843 660 1HB LEU 86 HB2 LEU 86 18.513 -17.031 -17.031 661 2HB LEU 86 HB1 LEU 86 18.187 -15.607 -15.607 662 HG LEU 86 HG LEU 86 16.196 -16.168 -16.168 663 1HD1 LEU 86 HD11 LEU 86 17.100 -13.714 -13.714 664 2HD1 LEU 86 HD13 LEU 86 17.044 -13.984 -13.984 665 3HD1 LEU 86 HD12 LEU 86 15.585 -14.150 -14.150 666 1HD2 LEU 86 HD22 LEU 86 17.721 -17.298 -17.298 667 2HD2 LEU 86 HD21 LEU 86 15.981 -17.138 -17.138 668 3HD2 LEU 86 HD23 LEU 86 16.971 -15.918 -15.918 669 H LEU 87 HN LEU 87 19.403 -13.052 -13.052 670 HA LEU 87 HA LEU 87 18.448 -14.158 -14.158 671 1HB LEU 87 HB2 LEU 87 18.675 -11.604 -11.604 672 2HB LEU 87 HB1 LEU 87 19.467 -11.491 -11.491 673 HG LEU 87 HG LEU 87 16.687 -12.600 -12.600 674 1HD1 LEU 87 HD13 LEU 87 17.669 -9.873 -9.873 675 2HD1 LEU 87 HD12 LEU 87 16.016 -10.422 -10.422 676 3HD1 LEU 87 HD11 LEU 87 16.632 -10.251 -10.251 677 1HD2 LEU 87 HD22 LEU 87 18.397 -12.087 -12.087 678 2HD2 LEU 87 HD21 LEU 87 17.463 -13.525 -13.525 679 3HD2 LEU 87 HD23 LEU 87 16.639 -12.065 -12.065 680 H LEU 88 HN LEU 88 21.464 -12.167 -12.167 681 HA LEU 88 HA LEU 88 22.443 -13.160 -13.160 682 1HB LEU 88 HB2 LEU 88 24.545 -12.212 -12.212 683 2HB LEU 88 HB1 LEU 88 23.359 -11.164 -11.164 684 HG LEU 88 HG LEU 88 25.119 -11.414 -11.414 685 1HD1 LEU 88 HD12 LEU 88 22.750 -11.673 -11.673 686 2HD1 LEU 88 HD11 LEU 88 23.052 -13.397 -13.397 687 3HD1 LEU 88 HD13 LEU 88 23.992 -12.287 -12.287 688 1HD2 LEU 88 HD23 LEU 88 25.715 -13.820 -13.820 689 2HD2 LEU 88 HD22 LEU 88 26.387 -13.268 -13.268 690 3HD2 LEU 88 HD21 LEU 88 25.009 -14.365 -14.365 691 H SER 89 HN SER 89 22.010 -14.791 -14.791 692 HA SER 89 HA SER 89 24.178 -16.614 -16.614 693 1HB SER 89 HB2 SER 89 21.501 -16.462 -16.462 694 2HB SER 89 HB1 SER 89 21.849 -18.115 -18.115 695 HG SER 89 HG SER 89 22.533 -17.341 -17.341 696 H LYS 90 HN LYS 90 21.738 -16.020 -16.020 697 HA LYS 90 HA LYS 90 22.215 -18.574 -18.574 698 1HB LYS 90 HB2 LYS 90 19.904 -18.466 -18.466 699 2HB LYS 90 HB1 LYS 90 19.887 -16.707 -16.707 700 1HG LYS 90 HG2 LYS 90 19.754 -16.532 -16.532 701 2HG LYS 90 HG1 LYS 90 20.689 -17.997 -17.997 702 1HD LYS 90 HD2 LYS 90 18.339 -18.301 -18.301 703 2HD LYS 90 HD1 LYS 90 18.770 -19.381 -19.381 704 1HE LYS 90 HE2 LYS 90 17.582 -16.699 -16.699 705 2HE LYS 90 HE1 LYS 90 16.524 -17.992 -17.992 706 1HZ LYS 90 HZ3 LYS 90 18.230 -19.126 -19.126 707 2HZ LYS 90 HZ2 LYS 90 17.704 -17.659 -17.659 708 3HZ LYS 90 HZ1 LYS 90 16.573 -18.818 -18.818 709 H GLY 91 HN GLY 91 22.329 -15.070 -15.070 710 1HA GLY 91 HA2 GLY 91 24.400 -14.686 -14.686 711 2HA GLY 91 HA1 GLY 91 23.110 -15.095 -15.095 712 H ALA 92 HN ALA 92 21.412 -13.614 -13.614 713 HA ALA 92 HA ALA 92 20.558 -11.451 -11.451 714 1HB ALA 92 HB3 ALA 92 20.364 -12.201 -12.201 715 2HB ALA 92 HB2 ALA 92 20.953 -10.545 -10.545 716 3HB ALA 92 HB1 ALA 92 19.450 -10.918 -10.918 717 H ASP 93 HN ASP 93 23.758 -11.839 -11.839 718 HA ASP 93 HA ASP 93 25.586 -10.300 -10.300 719 1HB ASP 93 HB2 ASP 93 23.621 -9.099 -9.099 720 2HB ASP 93 HB1 ASP 93 25.316 -8.674 -8.674 721 H LYS 94 HN LYS 94 24.600 -7.389 -7.389 722 HA LYS 94 HA LYS 94 23.235 -6.527 -6.527 723 1HB LYS 94 HB2 LYS 94 25.456 -6.848 -6.848 724 2HB LYS 94 HB1 LYS 94 26.168 -5.820 -5.820 725 1HG LYS 94 HG2 LYS 94 25.842 -4.545 -4.545 726 2HG LYS 94 HG1 LYS 94 24.808 -3.935 -3.935 727 1HD LYS 94 HD2 LYS 94 23.558 -6.049 -6.049 728 2HD LYS 94 HD1 LYS 94 23.949 -4.592 -4.592 729 1HE LYS 94 HE2 LYS 94 22.703 -3.402 -3.402 730 2HE LYS 94 HE1 LYS 94 21.938 -4.973 -4.973 731 1HZ LYS 94 HZ1 LYS 94 21.771 -4.613 -4.613 732 2HZ LYS 94 HZ3 LYS 94 21.720 -2.994 -2.994 733 3HZ LYS 94 HZ2 LYS 94 20.571 -4.101 -4.101 734 H THR 95 HN THR 95 24.969 -5.807 -5.807 735 HA THR 95 HA THR 95 23.338 -3.311 -3.311 736 HB THR 95 HB THR 95 25.390 -2.510 -2.510 737 HG1 THR 95 HG1 THR 95 26.234 -4.869 -4.869 738 1HG2 THR 95 HG23 THR 95 25.447 -2.753 -2.753 739 2HG2 THR 95 HG22 THR 95 26.527 -1.707 -1.707 740 3HG2 THR 95 HG21 THR 95 24.789 -1.420 -1.420 741 H VAL 96 HN VAL 96 22.451 -5.741 -5.741 742 HA VAL 96 HA VAL 96 23.300 -6.192 -6.192 743 HB VAL 96 HB VAL 96 21.373 -7.413 -7.413 744 1HG1 VAL 96 HG13 VAL 96 20.984 -7.562 -7.562 745 2HG1 VAL 96 HG12 VAL 96 20.397 -8.811 -8.811 746 3HG1 VAL 96 HG11 VAL 96 19.787 -7.164 -7.164 747 1HG2 VAL 96 HG23 VAL 96 23.778 -8.171 -8.171 748 2HG2 VAL 96 HG22 VAL 96 22.522 -9.407 -9.407 749 3HG2 VAL 96 HG21 VAL 96 23.034 -8.794 -8.794 750 H LYS 97 HN LYS 97 21.030 -4.026 -4.026 751 HA LYS 97 HA LYS 97 20.382 -2.997 -2.997 752 1HB LYS 97 HB2 LYS 97 18.717 -5.040 -5.040 753 2HB LYS 97 HB1 LYS 97 17.793 -3.584 -3.584 754 1HG LYS 97 HG2 LYS 97 17.929 -2.871 -2.871 755 2HG LYS 97 HG1 LYS 97 19.031 -4.187 -4.187 756 1HD LYS 97 HD2 LYS 97 16.304 -4.784 -4.784 757 2HD LYS 97 HD1 LYS 97 16.486 -4.444 -4.444 758 1HE LYS 97 HE2 LYS 97 18.268 -6.260 -6.260 759 2HE LYS 97 HE1 LYS 97 17.772 -6.689 -6.689 760 1HZ LYS 97 HZ3 LYS 97 15.523 -6.407 -6.407 761 2HZ LYS 97 HZ2 LYS 97 16.627 -7.527 -7.527 762 3HZ LYS 97 HZ1 LYS 97 16.009 -7.747 -7.747 763 H GLY 98 HN GLY 98 20.898 -2.373 -2.373 764 1HA GLY 98 HA2 GLY 98 18.986 -0.192 -0.192 765 2HA GLY 98 HA1 GLY 98 20.436 -0.457 -0.457 766 HA PRO 99 HA PRO 99 20.802 3.096 3.096 767 1HB PRO 99 HB2 PRO 99 22.019 4.593 4.593 768 2HB PRO 99 HB1 PRO 99 20.599 5.008 5.008 769 1HG PRO 99 HG2 PRO 99 20.675 3.957 3.957 770 2HG PRO 99 HG1 PRO 99 19.254 4.465 4.465 771 1HD PRO 99 HD2 PRO 99 19.931 1.788 1.788 772 2HD PRO 99 HD1 PRO 99 18.699 2.277 2.277 773 H ASP 100 HN ASP 100 23.084 2.963 2.963 774 HA ASP 100 HA ASP 100 25.042 1.514 1.514 775 1HB ASP 100 HB2 ASP 100 25.178 3.951 3.951 776 2HB ASP 100 HB1 ASP 100 25.739 4.329 4.329 777 H GLY 101 HN GLY 101 26.849 3.350 3.350 778 1HA GLY 101 HA2 GLY 101 27.364 1.318 1.318 779 2HA GLY 101 HA1 GLY 101 27.885 2.997 2.997 780 H LEU 102 HN LEU 102 24.534 3.067 3.067 781 HA LEU 102 HA LEU 102 24.043 3.974 3.974 782 1HB LEU 102 HB2 LEU 102 22.434 4.149 4.149 783 2HB LEU 102 HB1 LEU 102 22.046 2.453 2.453 784 HG LEU 102 HG LEU 102 21.515 4.736 4.736 785 1HD1 LEU 102 HD12 LEU 102 19.787 2.987 2.987 786 2HD1 LEU 102 HD11 LEU 102 19.150 3.839 3.839 787 3HD1 LEU 102 HD13 LEU 102 19.857 4.750 4.750 788 1HD2 LEU 102 HD22 LEU 102 21.268 1.757 1.757 789 2HD2 LEU 102 HD21 LEU 102 22.023 2.951 2.951 790 3HD2 LEU 102 HD23 LEU 102 20.277 2.885 2.885 791 H THR 103 HN THR 103 22.789 0.876 0.876 792 HA THR 103 HA THR 103 22.180 -0.843 -0.843 793 HB THR 103 HB THR 103 24.062 -1.826 -1.826 794 HG1 THR 103 HG1 THR 103 25.355 -2.355 -2.355 795 1HG2 THR 103 HG22 THR 103 25.675 0.192 0.192 796 2HG2 THR 103 HG21 THR 103 26.391 -1.177 -1.177 797 3HG2 THR 103 HG23 THR 103 25.515 0.060 0.060 798 H ALA 104 HN ALA 104 24.833 -0.703 -0.703 799 HA ALA 104 HA ALA 104 23.251 0.338 0.338 800 1HB ALA 104 HB3 ALA 104 25.776 -1.136 -1.136 801 2HB ALA 104 HB2 ALA 104 25.443 -0.409 -0.409 802 3HB ALA 104 HB1 ALA 104 24.344 -1.625 -1.625 803 H LEU 105 HN LEU 105 26.048 1.340 1.340 804 HA LEU 105 HA LEU 105 27.265 3.087 3.087 805 1HB LEU 105 HB2 LEU 105 26.869 3.761 3.761 806 2HB LEU 105 HB1 LEU 105 28.199 4.201 4.201 807 HG LEU 105 HG LEU 105 27.505 1.449 1.449 808 1HD1 LEU 105 HD11 LEU 105 28.609 2.964 2.964 809 2HD1 LEU 105 HD13 LEU 105 29.881 3.281 3.281 810 3HD1 LEU 105 HD12 LEU 105 29.697 1.668 1.668 811 1HD2 LEU 105 HD23 LEU 105 29.476 2.438 2.438 812 2HD2 LEU 105 HD22 LEU 105 28.317 1.114 1.114 813 3HD2 LEU 105 HD21 LEU 105 29.742 0.933 0.933 814 H GLU 106 HN GLU 106 24.928 4.196 4.196 815 HA GLU 106 HA GLU 106 24.684 6.692 6.692 816 1HB GLU 106 HB2 GLU 106 23.145 5.731 5.731 817 2HB GLU 106 HB1 GLU 106 23.264 7.375 7.375 818 1HG GLU 106 HG2 GLU 106 25.613 5.669 5.669 819 2HG GLU 106 HG1 GLU 106 24.805 6.843 6.843 820 H ALA 107 HN ALA 107 23.234 3.727 3.727 821 HA ALA 107 HA ALA 107 20.528 4.636 4.636 822 1HB ALA 107 HB1 ALA 107 21.957 2.105 2.105 823 2HB ALA 107 HB3 ALA 107 20.229 2.373 2.373 824 3HB ALA 107 HB2 ALA 107 20.936 2.335 2.335 825 H THR 108 HN THR 108 23.220 3.700 3.700 826 HA THR 108 HA THR 108 21.934 5.355 5.355 827 HB THR 108 HB THR 108 20.859 3.130 3.130 828 HG1 THR 108 HG1 THR 108 21.816 2.620 2.620 829 1HG2 THR 108 HG22 THR 108 22.971 2.017 2.017 830 2HG2 THR 108 HG21 THR 108 23.602 2.045 2.045 831 3HG2 THR 108 HG23 THR 108 22.128 1.161 1.161 832 H ASP 109 HN ASP 109 23.219 4.071 4.071 833 HA ASP 109 HA ASP 109 26.117 4.170 4.170 834 1HB ASP 109 HB2 ASP 109 25.383 6.527 6.527 835 2HB ASP 109 HB1 ASP 109 24.744 5.934 5.934 836 H ASN 110 HN ASN 110 23.440 2.742 2.742 837 HA ASN 110 HA ASN 110 24.737 1.863 1.863 838 1HB ASN 110 HB2 ASN 110 22.769 0.519 0.519 839 2HB ASN 110 HB1 ASN 110 22.231 2.097 2.097 840 1HD2 ASN 110 HD21 ASN 110 23.295 1.163 1.163 841 2HD2 ASN 110 HD22 ASN 110 22.031 0.208 0.208 842 H GLN 111 HN GLN 111 26.011 0.098 0.098 843 HA GLN 111 HA GLN 111 27.002 -1.092 -1.092 844 1HB GLN 111 HB2 GLN 111 28.502 -0.725 -0.725 845 2HB GLN 111 HB1 GLN 111 27.470 -1.524 -1.524 846 1HG GLN 111 HG2 GLN 111 28.014 -3.687 -3.687 847 2HG GLN 111 HG1 GLN 111 28.610 -3.047 -3.047 848 1HE2 GLN 111 HE21 GLN 111 29.686 -4.290 -4.290 849 2HE2 GLN 111 HE22 GLN 111 31.222 -3.573 -3.573 850 H ALA 112 HN ALA 112 24.066 -1.861 -1.861 851 HA ALA 112 HA ALA 112 24.299 -4.781 -4.781 852 1HB ALA 112 HB2 ALA 112 22.537 -3.563 -3.563 853 2HB ALA 112 HB1 ALA 112 21.777 -3.121 -3.121 854 3HB ALA 112 HB3 ALA 112 21.901 -4.816 -4.816 855 H ILE 113 HN ILE 113 23.243 -2.156 -2.156 856 HA ILE 113 HA ILE 113 22.402 -3.674 -3.674 857 HB ILE 113 HB ILE 113 23.055 -0.817 -0.817 858 1HG1 ILE 113 HG12 ILE 113 20.713 -0.515 -0.515 859 2HG1 ILE 113 HG11 ILE 113 20.592 -2.259 -2.259 860 1HG2 ILE 113 HG21 ILE 113 22.648 -1.867 -1.867 861 2HG2 ILE 113 HG23 ILE 113 22.463 -0.170 -0.170 862 3HG2 ILE 113 HG22 ILE 113 24.000 -0.950 -0.950 863 1HD1 ILE 113 HD12 ILE 113 21.513 -1.532 -1.532 864 2HD1 ILE 113 HD11 ILE 113 20.315 -0.320 -0.320 865 3HD1 ILE 113 HD13 ILE 113 19.883 -2.023 -2.023 866 H LYS 114 HN LYS 114 25.072 -1.486 -1.486 867 HA LYS 114 HA LYS 114 26.531 -2.184 -2.184 868 1HB LYS 114 HB2 LYS 114 28.009 -1.441 -1.441 869 2HB LYS 114 HB1 LYS 114 28.201 -0.815 -0.815 870 1HG LYS 114 HG2 LYS 114 25.696 0.060 0.060 871 2HG LYS 114 HG1 LYS 114 26.205 -0.050 -0.050 872 1HD LYS 114 HD2 LYS 114 26.707 2.142 2.142 873 2HD LYS 114 HD1 LYS 114 28.251 1.328 1.328 874 1HE LYS 114 HE2 LYS 114 26.793 1.212 1.212 875 2HE LYS 114 HE1 LYS 114 26.862 2.877 2.877 876 1HZ LYS 114 HZ3 LYS 114 29.339 2.204 2.204 877 2HZ LYS 114 HZ2 LYS 114 29.040 1.085 1.085 878 3HZ LYS 114 HZ1 LYS 114 28.849 2.748 2.748 879 H ALA 115 HN ALA 115 25.704 -4.081 -4.081 880 HA ALA 115 HA ALA 115 27.974 -5.785 -5.785 881 1HB ALA 115 HB1 ALA 115 25.746 -5.766 -5.766 882 2HB ALA 115 HB3 ALA 115 25.137 -6.815 -6.815 883 3HB ALA 115 HB2 ALA 115 26.526 -7.312 -7.312 884 H LEU 116 HN LEU 116 25.224 -5.487 -5.487 885 HA LEU 116 HA LEU 116 25.989 -7.800 -7.800 886 1HB LEU 116 HB2 LEU 116 24.114 -5.524 -5.524 887 2HB LEU 116 HB1 LEU 116 24.715 -6.195 -6.195 888 HG LEU 116 HG LEU 116 23.112 -7.586 -7.586 889 1HD1 LEU 116 HD12 LEU 116 22.679 -6.892 -6.892 890 2HD1 LEU 116 HD11 LEU 116 21.750 -8.171 -8.171 891 3HD1 LEU 116 HD13 LEU 116 21.653 -6.526 -6.526 892 1HD2 LEU 116 HD23 LEU 116 24.922 -8.774 -8.774 893 2HD2 LEU 116 HD22 LEU 116 24.474 -9.404 -9.404 894 3HD2 LEU 116 HD21 LEU 116 23.360 -9.548 -9.548 895 H LEU 117 HN LEU 117 27.462 -4.815 -4.815 896 HA LEU 117 HA LEU 117 28.618 -4.675 -4.675 897 1HB LEU 117 HB2 LEU 117 28.378 -2.857 -2.857 898 2HB LEU 117 HB1 LEU 117 30.078 -3.273 -3.273 899 HG LEU 117 HG LEU 117 29.730 -1.338 -1.338 900 1HD1 LEU 117 HD13 LEU 117 31.438 -3.217 -3.217 901 2HD1 LEU 117 HD12 LEU 117 30.359 -3.669 -3.669 902 3HD1 LEU 117 HD11 LEU 117 31.089 -2.068 -2.068 903 1HD2 LEU 117 HD21 LEU 117 27.380 -2.698 -2.698 904 2HD2 LEU 117 HD23 LEU 117 27.985 -1.189 -1.189 905 3HD2 LEU 117 HD22 LEU 117 28.389 -2.718 -2.718 906 H GLN 118 HN GLN 118 28.873 -6.761 -6.761 907 HA GLN 118 HA GLN 118 31.694 -7.107 -7.107 908 1HB GLN 118 HB2 GLN 118 31.139 -9.178 -9.178 909 2HB GLN 118 HB1 GLN 118 29.910 -8.004 -8.004 910 1HG GLN 118 HG2 GLN 118 28.592 -9.850 -9.850 911 2HG GLN 118 HG1 GLN 118 28.609 -8.955 -8.955 912 1HE2 GLN 118 HE21 GLN 118 30.295 -11.626 -11.626 913 2HE2 GLN 118 HE22 GLN 118 30.744 -12.456 -12.456 Start of MODEL 33 1 1H MET 1 HT2 MET 1 -12.083 -11.998 -11.998 2 2H MET 1 HT1 MET 1 -10.546 -12.139 -12.139 3 3H MET 1 HT3 MET 1 -11.719 -13.332 -13.332 4 HA MET 1 HA MET 1 -11.526 -14.237 -14.237 5 1HB MET 1 HB2 MET 1 -8.768 -13.132 -13.132 6 2HB MET 1 HB1 MET 1 -9.124 -14.551 -14.551 7 1HG MET 1 HG2 MET 1 -10.261 -15.565 -15.565 8 2HG MET 1 HG1 MET 1 -9.660 -14.208 -14.208 9 1HE MET 1 HE2 MET 1 -7.339 -13.434 -13.434 10 2HE MET 1 HE1 MET 1 -6.019 -14.552 -14.552 11 3HE MET 1 HE3 MET 1 -7.446 -14.527 -14.527 12 H CYS 2 HN CYS 2 -8.850 -12.668 -12.668 13 HA CYS 2 HA CYS 2 -10.063 -10.414 -10.414 14 1HB CYS 2 HB2 CYS 2 -11.253 -12.235 -12.235 15 2HB CYS 2 HB1 CYS 2 -9.701 -12.929 -12.929 16 HG CYS 2 HG CYS 2 -11.022 -10.507 -10.507 17 H ASP 3 HN ASP 3 -7.982 -9.657 -9.657 18 HA ASP 3 HA ASP 3 -5.455 -10.692 -10.692 19 1HB ASP 3 HB2 ASP 3 -6.259 -7.819 -7.819 20 2HB ASP 3 HB1 ASP 3 -4.596 -8.404 -8.404 21 H LYS 4 HN LYS 4 -7.651 -8.545 -8.545 22 HA LYS 4 HA LYS 4 -6.078 -7.468 -7.468 23 1HB LYS 4 HB2 LYS 4 -8.858 -8.646 -8.646 24 2HB LYS 4 HB1 LYS 4 -8.118 -7.767 -7.767 25 1HG LYS 4 HG2 LYS 4 -7.813 -5.797 -5.797 26 2HG LYS 4 HG1 LYS 4 -8.511 -6.672 -6.672 27 1HD LYS 4 HD2 LYS 4 -10.592 -6.995 -6.995 28 2HD LYS 4 HD1 LYS 4 -9.890 -5.824 -5.824 29 1HE LYS 4 HE2 LYS 4 -10.454 -5.326 -5.326 30 2HE LYS 4 HE1 LYS 4 -11.423 -4.721 -4.721 31 1HZ LYS 4 HZ3 LYS 4 -9.447 -3.558 -3.558 32 2HZ LYS 4 HZ2 LYS 4 -8.570 -4.092 -4.092 33 3HZ LYS 4 HZ1 LYS 4 -9.887 -3.038 -3.038 34 H GLU 5 HN GLU 5 -7.632 -10.702 -10.702 35 HA GLU 5 HA GLU 5 -6.346 -11.422 -11.422 36 1HB GLU 5 HB2 GLU 5 -7.714 -12.931 -12.931 37 2HB GLU 5 HB1 GLU 5 -6.789 -13.838 -13.838 38 1HG GLU 5 HG2 GLU 5 -8.087 -12.827 -12.827 39 2HG GLU 5 HG1 GLU 5 -8.979 -11.846 -11.846 40 H PHE 6 HN PHE 6 -5.524 -12.402 -12.402 41 HA PHE 6 HA PHE 6 -3.115 -13.752 -13.752 42 1HB PHE 6 HB2 PHE 6 -4.066 -14.034 -14.034 43 2HB PHE 6 HB1 PHE 6 -3.983 -12.305 -12.305 44 HD1 PHE 6 HD2 PHE 6 -1.730 -15.145 -15.145 45 HD2 PHE 6 HD1 PHE 6 -2.185 -11.505 -11.505 46 HE1 PHE 6 HE2 PHE 6 0.549 -15.433 -15.433 47 HE2 PHE 6 HE1 PHE 6 0.094 -11.793 -11.793 48 HZ PHE 6 HZ PHE 6 1.462 -13.756 -13.756 49 H MET 7 HN MET 7 -3.725 -10.342 -10.342 50 HA MET 7 HA MET 7 -0.908 -9.615 -9.615 51 1HB MET 7 HB2 MET 7 -2.346 -8.297 -8.297 52 2HB MET 7 HB1 MET 7 -3.460 -8.006 -8.006 53 1HG MET 7 HG2 MET 7 -1.960 -6.551 -6.551 54 2HG MET 7 HG1 MET 7 -0.576 -7.139 -7.139 55 1HE MET 7 HE1 MET 7 -4.135 -5.829 -5.829 56 2HE MET 7 HE3 MET 7 -4.080 -4.907 -4.907 57 3HE MET 7 HE2 MET 7 -3.906 -6.659 -6.659 58 H TRP 8 HN TRP 8 -3.707 -8.849 -8.849 59 HA TRP 8 HA TRP 8 -2.327 -7.523 -7.523 60 1HB TRP 8 HB2 TRP 8 -4.826 -7.828 -7.828 61 2HB TRP 8 HB1 TRP 8 -4.607 -9.472 -9.472 62 HD1 TRP 8 HD1 TRP 8 -3.809 -9.781 -9.781 63 HE1 TRP 8 HE1 TRP 8 -3.905 -8.205 -8.205 64 HE3 TRP 8 HE3 TRP 8 -4.681 -5.340 -5.340 65 HZ2 TRP 8 HZ2 TRP 8 -4.301 -5.428 -5.428 66 HZ3 TRP 8 HZ3 TRP 8 -4.915 -3.247 -3.247 67 HH2 TRP 8 HH2 TRP 8 -4.726 -3.285 -3.285 68 H ALA 9 HN ALA 9 -1.820 -10.692 -10.692 69 HA ALA 9 HA ALA 9 -1.049 -11.734 -11.734 70 1HB ALA 9 HB2 ALA 9 -0.779 -12.899 -12.899 71 2HB ALA 9 HB1 ALA 9 -0.366 -13.755 -13.755 72 3HB ALA 9 HB3 ALA 9 -2.036 -13.281 -13.281 73 H LEU 10 HN LEU 10 0.629 -10.891 -10.891 74 HA LEU 10 HA LEU 10 3.271 -11.379 -11.379 75 1HB LEU 10 HB2 LEU 10 2.419 -8.860 -8.860 76 2HB LEU 10 HB1 LEU 10 3.970 -9.674 -9.674 77 HG LEU 10 HG LEU 10 1.635 -11.348 -11.348 78 1HD1 LEU 10 HD13 LEU 10 1.148 -8.961 -8.961 79 2HD1 LEU 10 HD12 LEU 10 2.541 -9.198 -9.198 80 3HD1 LEU 10 HD11 LEU 10 1.143 -10.264 -10.264 81 1HD2 LEU 10 HD21 LEU 10 4.065 -11.982 -11.982 82 2HD2 LEU 10 HD23 LEU 10 3.166 -12.061 -12.061 83 3HD2 LEU 10 HD22 LEU 10 4.234 -10.695 -10.695 84 H LYS 11 HN LYS 11 1.015 -9.119 -9.119 85 HA LYS 11 HA LYS 11 2.997 -7.303 -7.303 86 1HB LYS 11 HB2 LYS 11 1.046 -6.300 -6.300 87 2HB LYS 11 HB1 LYS 11 -0.003 -7.456 -7.456 88 1HG LYS 11 HG2 LYS 11 0.407 -6.482 -6.482 89 2HG LYS 11 HG1 LYS 11 1.791 -5.561 -5.561 90 1HD LYS 11 HD2 LYS 11 0.460 -3.994 -3.994 91 2HD LYS 11 HD1 LYS 11 -0.878 -5.121 -5.121 92 1HE LYS 11 HE2 LYS 11 -1.491 -3.460 -3.460 93 2HE LYS 11 HE1 LYS 11 -1.297 -5.025 -5.025 94 1HZ LYS 11 HZ1 LYS 11 0.961 -3.142 -3.142 95 2HZ LYS 11 HZ3 LYS 11 -0.180 -2.987 -2.987 96 3HZ LYS 11 HZ2 LYS 11 0.731 -4.415 -4.415 97 H ASN 12 HN ASN 12 0.198 -8.942 -8.942 98 HA ASN 12 HA ASN 12 1.457 -8.653 -8.653 99 1HB ASN 12 HB2 ASN 12 -1.011 -8.615 -8.615 100 2HB ASN 12 HB1 ASN 12 -0.931 -10.350 -10.350 101 1HD2 ASN 12 HD21 ASN 12 -0.848 -11.720 -11.720 102 2HD2 ASN 12 HD22 ASN 12 -0.800 -11.151 -11.151 103 H GLY 13 HN GLY 13 2.821 -10.391 -10.391 104 1HA GLY 13 HA2 GLY 13 4.057 -12.371 -12.371 105 2HA GLY 13 HA1 GLY 13 3.854 -12.320 -12.320 106 H ASP 14 HN ASP 14 0.895 -12.417 -12.417 107 HA ASP 14 HA ASP 14 0.211 -14.963 -14.963 108 1HB ASP 14 HB2 ASP 14 -1.167 -13.803 -13.803 109 2HB ASP 14 HB1 ASP 14 -1.829 -14.771 -14.771 110 H LEU 15 HN LEU 15 2.546 -15.323 -15.323 111 HA LEU 15 HA LEU 15 3.009 -16.040 -16.040 112 1HB LEU 15 HB2 LEU 15 4.648 -16.159 -16.159 113 2HB LEU 15 HB1 LEU 15 3.827 -17.572 -17.572 114 HG LEU 15 HG LEU 15 5.909 -17.989 -17.989 115 1HD1 LEU 15 HD11 LEU 15 3.614 -19.479 -19.479 116 2HD1 LEU 15 HD13 LEU 15 3.834 -19.514 -19.514 117 3HD1 LEU 15 HD12 LEU 15 5.118 -20.075 -20.075 118 1HD2 LEU 15 HD23 LEU 15 5.076 -16.284 -16.284 119 2HD2 LEU 15 HD22 LEU 15 5.818 -17.776 -17.776 120 3HD2 LEU 15 HD21 LEU 15 4.065 -17.607 -17.607 121 H ASP 16 HN ASP 16 0.970 -17.711 -17.711 122 HA ASP 16 HA ASP 16 0.725 -20.174 -20.174 123 1HB ASP 16 HB2 ASP 16 -1.244 -18.791 -18.791 124 2HB ASP 16 HB1 ASP 16 -1.280 -20.489 -20.489 125 H GLU 17 HN GLU 17 -0.795 -17.035 -17.035 126 HA GLU 17 HA GLU 17 -2.941 -17.994 -17.994 127 1HB GLU 17 HB2 GLU 17 -1.960 -15.334 -15.334 128 2HB GLU 17 HB1 GLU 17 -2.993 -15.379 -15.379 129 1HG GLU 17 HG2 GLU 17 -4.306 -15.113 -15.113 130 2HG GLU 17 HG1 GLU 17 -4.713 -16.601 -16.601 131 H VAL 18 HN VAL 18 0.129 -16.229 -16.229 132 HA VAL 18 HA VAL 18 -0.272 -16.155 -16.155 133 HB VAL 18 HB VAL 18 2.455 -16.156 -16.156 134 1HG1 VAL 18 HG13 VAL 18 0.413 -13.970 -13.970 135 2HG1 VAL 18 HG12 VAL 18 2.139 -13.614 -13.614 136 3HG1 VAL 18 HG11 VAL 18 1.432 -14.313 -14.313 137 1HG2 VAL 18 HG21 VAL 18 1.945 -16.563 -16.563 138 2HG2 VAL 18 HG23 VAL 18 3.164 -15.372 -15.372 139 3HG2 VAL 18 HG22 VAL 18 1.550 -14.848 -14.848 140 H LYS 19 HN LYS 19 0.996 -18.464 -18.464 141 HA LYS 19 HA LYS 19 2.336 -20.252 -20.252 142 1HB LYS 19 HB2 LYS 19 2.400 -20.372 -20.372 143 2HB LYS 19 HB1 LYS 19 0.701 -20.823 -20.823 144 1HG LYS 19 HG2 LYS 19 1.721 -22.913 -22.913 145 2HG LYS 19 HG1 LYS 19 1.509 -22.780 -22.780 146 1HD LYS 19 HD2 LYS 19 3.753 -23.378 -23.378 147 2HD LYS 19 HD1 LYS 19 3.883 -21.627 -21.627 148 1HE LYS 19 HE2 LYS 19 5.303 -22.579 -22.579 149 2HE LYS 19 HE1 LYS 19 3.999 -21.648 -21.648 150 1HZ LYS 19 HZ1 LYS 19 3.129 -24.289 -24.289 151 2HZ LYS 19 HZ3 LYS 19 4.620 -24.329 -24.329 152 3HZ LYS 19 HZ2 LYS 19 3.323 -23.452 -23.452 153 H ASP 20 HN ASP 20 -1.072 -19.877 -19.877 154 HA ASP 20 HA ASP 20 -1.955 -22.286 -22.286 155 1HB ASP 20 HB2 ASP 20 -3.234 -20.828 -20.828 156 2HB ASP 20 HB1 ASP 20 -3.608 -19.779 -19.779 157 H TYR 21 HN TYR 21 -1.858 -18.899 -18.899 158 HA TYR 21 HA TYR 21 -3.024 -19.464 -19.464 159 1HB TYR 21 HB2 TYR 21 -1.216 -17.250 -17.250 160 2HB TYR 21 HB1 TYR 21 -1.793 -17.316 -17.316 161 HD1 TYR 21 HD1 TYR 21 -3.065 -17.562 -17.562 162 HD2 TYR 21 HD2 TYR 21 -3.875 -16.367 -16.367 163 HE1 TYR 21 HE1 TYR 21 -5.244 -16.622 -16.622 164 HE2 TYR 21 HE2 TYR 21 -6.056 -15.426 -15.426 165 HH TYR 21 HH TYR 21 -7.589 -16.174 -16.174 166 H VAL 22 HN VAL 22 0.492 -19.053 -19.053 167 HA VAL 22 HA VAL 22 1.228 -19.929 -19.929 168 HB VAL 22 HB VAL 22 2.755 -18.595 -18.595 169 1HG1 VAL 22 HG11 VAL 22 2.240 -19.696 -19.696 170 2HG1 VAL 22 HG13 VAL 22 3.028 -21.168 -21.168 171 3HG1 VAL 22 HG12 VAL 22 3.971 -19.698 -19.698 172 1HG2 VAL 22 HG23 VAL 22 3.622 -19.980 -19.980 173 2HG2 VAL 22 HG22 VAL 22 4.788 -19.857 -19.857 174 3HG2 VAL 22 HG21 VAL 22 3.842 -21.328 -21.328 175 H ALA 23 HN ALA 23 0.269 -21.664 -21.664 176 HA ALA 23 HA ALA 23 1.618 -24.123 -24.123 177 1HB ALA 23 HB2 ALA 23 -1.107 -23.495 -23.495 178 2HB ALA 23 HB1 ALA 23 -0.533 -25.153 -25.153 179 3HB ALA 23 HB3 ALA 23 0.343 -24.005 -24.005 180 H LYS 24 HN LYS 24 -0.860 -22.459 -22.459 181 HA LYS 24 HA LYS 24 -2.128 -24.527 -24.527 182 1HB LYS 24 HB2 LYS 24 -1.414 -21.689 -21.689 183 2HB LYS 24 HB1 LYS 24 -2.437 -22.737 -22.737 184 1HG LYS 24 HG2 LYS 24 -3.113 -22.398 -22.398 185 2HG LYS 24 HG1 LYS 24 -3.499 -21.083 -21.083 186 1HD LYS 24 HD2 LYS 24 -5.009 -22.373 -22.373 187 2HD LYS 24 HD1 LYS 24 -4.253 -23.891 -23.891 188 1HE LYS 24 HE2 LYS 24 -5.525 -22.165 -22.165 189 2HE LYS 24 HE1 LYS 24 -6.551 -23.168 -23.168 190 1HZ LYS 24 HZ3 LYS 24 -4.181 -24.397 -24.397 191 2HZ LYS 24 HZ2 LYS 24 -5.505 -24.086 -24.086 192 3HZ LYS 24 HZ1 LYS 24 -5.694 -25.078 -25.078 193 H GLY 25 HN GLY 25 0.077 -22.376 -22.376 194 1HA GLY 25 HA2 GLY 25 1.947 -24.494 -24.494 195 2HA GLY 25 HA1 GLY 25 0.908 -24.036 -24.036 196 H GLU 26 HN GLU 26 3.550 -23.081 -23.081 197 HA GLU 26 HA GLU 26 4.807 -21.064 -21.064 198 1HB GLU 26 HB2 GLU 26 5.838 -20.822 -20.822 199 2HB GLU 26 HB1 GLU 26 6.159 -22.269 -22.269 200 1HG GLU 26 HG2 GLU 26 3.850 -22.104 -22.104 201 2HG GLU 26 HG1 GLU 26 5.447 -22.645 -22.645 202 H ASP 27 HN ASP 27 3.854 -19.136 -19.136 203 HA ASP 27 HA ASP 27 3.019 -17.562 -17.562 204 1HB ASP 27 HB2 ASP 27 1.217 -18.236 -18.236 205 2HB ASP 27 HB1 ASP 27 0.991 -16.757 -16.757 206 H VAL 28 HN VAL 28 5.314 -17.471 -17.471 207 HA VAL 28 HA VAL 28 4.834 -15.180 -15.180 208 HB VAL 28 HB VAL 28 7.237 -15.567 -15.567 209 1HG1 VAL 28 HG11 VAL 28 5.341 -16.624 -16.624 210 2HG1 VAL 28 HG13 VAL 28 5.419 -17.992 -17.992 211 3HG1 VAL 28 HG12 VAL 28 6.761 -17.668 -17.668 212 1HG2 VAL 28 HG22 VAL 28 7.824 -16.593 -16.593 213 2HG2 VAL 28 HG21 VAL 28 8.381 -17.514 -17.514 214 3HG2 VAL 28 HG23 VAL 28 6.948 -18.034 -18.034 215 H ASN 29 HN ASN 29 4.346 -14.212 -14.212 216 HA ASN 29 HA ASN 29 6.291 -12.194 -12.194 217 1HB ASN 29 HB2 ASN 29 6.732 -12.959 -12.959 218 2HB ASN 29 HB1 ASN 29 7.673 -13.714 -13.714 219 1HD2 ASN 29 HD21 ASN 29 6.904 -15.896 -15.896 220 2HD2 ASN 29 HD22 ASN 29 6.038 -16.877 -16.877 221 H ARG 30 HN ARG 30 3.576 -12.230 -12.230 222 HA ARG 30 HA ARG 30 2.254 -11.632 -11.632 223 1HB ARG 30 HB2 ARG 30 1.079 -12.035 -12.035 224 2HB ARG 30 HB1 ARG 30 0.156 -11.780 -11.780 225 1HG ARG 30 HG2 ARG 30 1.696 -13.870 -13.870 226 2HG ARG 30 HG1 ARG 30 1.599 -14.216 -14.216 227 1HD ARG 30 HD2 ARG 30 -0.599 -14.095 -14.095 228 2HD ARG 30 HD1 ARG 30 -0.300 -15.318 -15.318 229 HE ARG 30 HE ARG 30 -2.048 -13.102 -13.102 230 1HH1 ARG 30 HH21 ARG 30 0.603 -14.548 -14.548 231 2HH1 ARG 30 HH22 ARG 30 0.167 -13.866 -13.866 232 1HH2 ARG 30 HH11 ARG 30 -2.621 -12.217 -12.217 233 2HH2 ARG 30 HH12 ARG 30 -1.655 -12.553 -12.553 234 H THR 31 HN THR 31 2.160 -9.519 -9.519 235 HA THR 31 HA THR 31 2.971 -7.397 -7.397 236 HB THR 31 HB THR 31 0.975 -6.795 -6.795 237 HG1 THR 31 HG1 THR 31 2.057 -8.466 -8.466 238 1HG2 THR 31 HG21 THR 31 2.250 -5.027 -5.027 239 2HG2 THR 31 HG23 THR 31 3.759 -5.772 -5.772 240 3HG2 THR 31 HG22 THR 31 2.654 -5.084 -5.084 241 H LEU 32 HN LEU 32 1.931 -7.321 -7.321 242 HA LEU 32 HA LEU 32 -0.658 -7.827 -7.827 243 1HB LEU 32 HB2 LEU 32 1.276 -5.701 -5.701 244 2HB LEU 32 HB1 LEU 32 -0.349 -5.685 -5.685 245 HG LEU 32 HG LEU 32 0.844 -8.359 -8.359 246 1HD1 LEU 32 HD11 LEU 32 2.220 -6.005 -6.005 247 2HD1 LEU 32 HD13 LEU 32 2.378 -7.647 -7.647 248 3HD1 LEU 32 HD12 LEU 32 2.945 -7.263 -7.263 249 1HD2 LEU 32 HD22 LEU 32 -1.206 -7.501 -7.501 250 2HD2 LEU 32 HD21 LEU 32 -0.012 -8.253 -8.253 251 3HD2 LEU 32 HD23 LEU 32 -0.134 -6.495 -6.495 252 H GLU 33 HN GLU 33 -0.061 -4.428 -4.428 253 HA GLU 33 HA GLU 33 -2.732 -3.891 -3.891 254 1HB GLU 33 HB2 GLU 33 -2.362 -1.666 -1.666 255 2HB GLU 33 HB1 GLU 33 -1.476 -2.665 -2.665 256 1HG GLU 33 HG2 GLU 33 0.559 -2.327 -2.327 257 2HG GLU 33 HG1 GLU 33 -0.379 -1.029 -1.029 258 H GLY 34 HN GLY 34 0.560 -3.062 -3.062 259 1HA GLY 34 HA2 GLY 34 -0.430 -3.215 -3.215 260 2HA GLY 34 HA1 GLY 34 -0.196 -1.549 -1.549 261 H GLY 35 HN GLY 35 2.100 -2.422 -2.422 262 1HA GLY 35 HA2 GLY 35 4.101 -3.453 -3.453 263 2HA GLY 35 HA1 GLY 35 4.271 -1.734 -1.734 264 H ARG 36 HN ARG 36 3.264 -4.357 -4.357 265 HA ARG 36 HA ARG 36 5.751 -3.880 -3.880 266 1HB ARG 36 HB2 ARG 36 3.043 -4.241 -4.241 267 2HB ARG 36 HB1 ARG 36 4.538 -3.677 -3.677 268 1HG ARG 36 HG2 ARG 36 3.222 -2.140 -2.140 269 2HG ARG 36 HG1 ARG 36 2.748 -1.901 -1.901 270 1HD ARG 36 HD2 ARG 36 5.642 -1.748 -1.748 271 2HD ARG 36 HD1 ARG 36 4.580 -0.343 -0.343 272 HE ARG 36 HE ARG 36 4.219 -1.249 -1.249 273 1HH1 ARG 36 HH21 ARG 36 6.909 -0.460 -0.460 274 2HH1 ARG 36 HH22 ARG 36 7.897 0.089 0.089 275 1HH2 ARG 36 HH11 ARG 36 5.497 -0.536 -0.536 276 2HH2 ARG 36 HH12 ARG 36 7.098 0.046 0.046 277 H LYS 37 HN LYS 37 6.553 -5.674 -5.674 278 HA LYS 37 HA LYS 37 5.277 -8.265 -8.265 279 1HB LYS 37 HB2 LYS 37 7.449 -9.263 -9.263 280 2HB LYS 37 HB1 LYS 37 7.672 -7.763 -7.763 281 1HG LYS 37 HG2 LYS 37 8.176 -8.153 -8.153 282 2HG LYS 37 HG1 LYS 37 9.411 -8.003 -8.003 283 1HD LYS 37 HD2 LYS 37 8.299 -5.749 -5.749 284 2HD LYS 37 HD1 LYS 37 7.485 -5.900 -5.900 285 1HE LYS 37 HE2 LYS 37 9.616 -6.045 -6.045 286 2HE LYS 37 HE1 LYS 37 10.485 -6.019 -6.019 287 1HZ LYS 37 HZ2 LYS 37 8.611 -3.841 -3.841 288 2HZ LYS 37 HZ1 LYS 37 10.101 -3.842 -3.842 289 3HZ LYS 37 HZ3 LYS 37 10.063 -3.816 -3.816 290 HA PRO 38 HA PRO 38 4.241 -8.940 -8.940 291 1HB PRO 38 HB2 PRO 38 4.594 -11.757 -11.757 292 2HB PRO 38 HB1 PRO 38 3.103 -10.876 -10.876 293 1HG PRO 38 HG2 PRO 38 4.890 -12.280 -12.280 294 2HG PRO 38 HG1 PRO 38 3.259 -11.658 -11.658 295 1HD PRO 38 HD2 PRO 38 5.705 -10.537 -10.537 296 2HD PRO 38 HD1 PRO 38 4.086 -9.819 -9.819 297 H LEU 39 HN LEU 39 7.059 -8.269 -8.269 298 HA LEU 39 HA LEU 39 8.308 -9.997 -9.997 299 1HB LEU 39 HB2 LEU 39 9.199 -10.131 -10.131 300 2HB LEU 39 HB1 LEU 39 9.868 -8.537 -8.537 301 HG LEU 39 HG LEU 39 11.539 -9.350 -9.350 302 1HD1 LEU 39 HD13 LEU 39 9.693 -11.517 -11.517 303 2HD1 LEU 39 HD12 LEU 39 11.340 -11.230 -11.230 304 3HD1 LEU 39 HD11 LEU 39 10.093 -10.022 -10.022 305 1HD2 LEU 39 HD21 LEU 39 11.388 -10.822 -10.822 306 2HD2 LEU 39 HD23 LEU 39 12.409 -11.392 -11.392 307 3HD2 LEU 39 HD22 LEU 39 10.806 -12.085 -12.085 308 H HIS 40 HN HIS 40 7.566 -6.787 -6.787 309 HA HIS 40 HA HIS 40 9.476 -5.427 -5.427 310 1HB HIS 40 HB2 HIS 40 8.474 -4.367 -4.367 311 2HB HIS 40 HB1 HIS 40 6.905 -4.375 -4.375 312 HD1 HIS 40 HD1 HIS 40 10.129 -2.547 -2.547 313 HD2 HIS 40 HD2 HIS 40 6.766 -2.614 -2.614 314 HE1 HIS 40 HE1 HIS 40 10.253 -0.466 -0.466 315 H TYR 41 HN TYR 41 6.026 -6.236 -6.236 316 HA TYR 41 HA TYR 41 5.640 -5.000 -5.000 317 1HB TYR 41 HB2 TYR 41 4.059 -7.382 -7.382 318 2HB TYR 41 HB1 TYR 41 3.496 -5.956 -5.956 319 HD1 TYR 41 HD1 TYR 41 4.752 -7.168 -7.168 320 HD2 TYR 41 HD2 TYR 41 2.851 -3.974 -3.974 321 HE1 TYR 41 HE1 TYR 41 4.266 -6.033 -6.033 322 HE2 TYR 41 HE2 TYR 41 2.353 -2.836 -2.836 323 HH TYR 41 HH TYR 41 3.757 -3.194 -3.194 324 H ALA 42 HN ALA 42 6.477 -8.224 -8.224 325 HA ALA 42 HA ALA 42 6.552 -9.490 -9.490 326 1HB ALA 42 HB2 ALA 42 6.431 -10.721 -10.721 327 2HB ALA 42 HB1 ALA 42 8.089 -10.222 -10.222 328 3HB ALA 42 HB3 ALA 42 7.736 -11.289 -11.289 329 H ALA 43 HN ALA 43 9.121 -8.291 -8.291 330 HA ALA 43 HA ALA 43 11.258 -8.657 -8.657 331 1HB ALA 43 HB2 ALA 43 11.587 -8.122 -8.122 332 2HB ALA 43 HB1 ALA 43 10.948 -6.504 -6.504 333 3HB ALA 43 HB3 ALA 43 12.466 -6.995 -6.995 334 H ASP 44 HN ASP 44 9.479 -5.663 -5.663 335 HA ASP 44 HA ASP 44 10.549 -4.016 -4.016 336 1HB ASP 44 HB2 ASP 44 9.045 -3.247 -3.247 337 2HB ASP 44 HB1 ASP 44 7.690 -4.025 -4.025 338 H CYS 45 HN CYS 45 7.868 -6.349 -6.349 339 HA CYS 45 HA CYS 45 8.265 -6.363 -6.363 340 1HB CYS 45 HB2 CYS 45 5.776 -5.208 -5.208 341 2HB CYS 45 HB1 CYS 45 5.810 -5.796 -5.796 342 HG CYS 45 HG CYS 45 7.751 -3.989 -3.989 343 H GLY 46 HN GLY 46 8.667 -8.558 -8.558 344 1HA GLY 46 HA2 GLY 46 6.081 -10.082 -10.082 345 2HA GLY 46 HA1 GLY 46 7.495 -10.517 -10.517 346 H GLN 47 HN GLN 47 7.633 -9.470 -9.470 347 HA GLN 47 HA GLN 47 8.579 -10.607 -10.607 348 1HB GLN 47 HB2 GLN 47 6.820 -12.636 -12.636 349 2HB GLN 47 HB1 GLN 47 7.857 -13.152 -13.152 350 1HG GLN 47 HG2 GLN 47 5.536 -12.427 -12.427 351 2HG GLN 47 HG1 GLN 47 6.841 -11.583 -11.583 352 1HE2 GLN 47 HE21 GLN 47 3.905 -10.980 -10.980 353 2HE2 GLN 47 HE22 GLN 47 4.159 -9.390 -9.390 354 H LEU 48 HN LEU 48 9.630 -10.731 -10.731 355 HA LEU 48 HA LEU 48 11.596 -11.356 -11.356 356 1HB LEU 48 HB2 LEU 48 12.234 -12.086 -12.086 357 2HB LEU 48 HB1 LEU 48 13.380 -12.312 -12.312 358 HG LEU 48 HG LEU 48 13.973 -10.156 -10.156 359 1HD1 LEU 48 HD13 LEU 48 11.057 -9.474 -9.474 360 2HD1 LEU 48 HD12 LEU 48 12.382 -8.327 -8.327 361 3HD1 LEU 48 HD11 LEU 48 12.297 -9.636 -9.636 362 1HD2 LEU 48 HD22 LEU 48 11.729 -9.907 -9.907 363 2HD2 LEU 48 HD21 LEU 48 13.417 -10.278 -10.278 364 3HD2 LEU 48 HD23 LEU 48 12.972 -8.685 -8.685 365 H GLU 49 HN GLU 49 9.418 -13.503 -13.503 366 HA GLU 49 HA GLU 49 10.928 -15.873 -15.873 367 1HB GLU 49 HB2 GLU 49 8.064 -15.840 -15.840 368 2HB GLU 49 HB1 GLU 49 9.201 -17.169 -17.169 369 1HG GLU 49 HG2 GLU 49 10.542 -15.883 -15.883 370 2HG GLU 49 HG1 GLU 49 9.236 -14.698 -14.698 371 H ILE 50 HN ILE 50 8.186 -13.855 -13.855 372 HA ILE 50 HA ILE 50 7.161 -15.425 -15.425 373 HB ILE 50 HB ILE 50 7.101 -12.424 -12.424 374 1HG1 ILE 50 HG12 ILE 50 5.963 -14.528 -14.528 375 2HG1 ILE 50 HG11 ILE 50 6.013 -12.795 -12.795 376 1HG2 ILE 50 HG21 ILE 50 6.331 -13.290 -13.290 377 2HG2 ILE 50 HG23 ILE 50 5.220 -14.375 -14.375 378 3HG2 ILE 50 HG22 ILE 50 4.986 -12.633 -12.633 379 1HD1 ILE 50 HD11 ILE 50 4.027 -14.032 -14.032 380 2HD1 ILE 50 HD13 ILE 50 3.690 -13.882 -13.882 381 3HD1 ILE 50 HD12 ILE 50 3.973 -12.446 -12.446 382 H LEU 51 HN LEU 51 9.660 -12.910 -12.910 383 HA LEU 51 HA LEU 51 9.765 -12.722 -12.722 384 1HB LEU 51 HB2 LEU 51 12.354 -12.138 -12.138 385 2HB LEU 51 HB1 LEU 51 11.041 -10.981 -10.981 386 HG LEU 51 HG LEU 51 12.319 -10.769 -10.769 387 1HD1 LEU 51 HD12 LEU 51 9.533 -11.095 -11.095 388 2HD1 LEU 51 HD11 LEU 51 10.064 -11.928 -11.928 389 3HD1 LEU 51 HD13 LEU 51 10.476 -10.241 -10.241 390 1HD2 LEU 51 HD22 LEU 51 12.960 -13.264 -13.264 391 2HD2 LEU 51 HD21 LEU 51 12.754 -12.500 -12.500 392 3HD2 LEU 51 HD23 LEU 51 11.475 -13.521 -13.521 393 H GLU 52 HN GLU 52 12.003 -14.607 -14.607 394 HA GLU 52 HA GLU 52 13.232 -15.865 -15.865 395 1HB GLU 52 HB2 GLU 52 13.626 -17.797 -17.797 396 2HB GLU 52 HB1 GLU 52 14.589 -16.332 -16.332 397 1HG GLU 52 HG2 GLU 52 14.029 -16.398 -16.398 398 2HG GLU 52 HG1 GLU 52 12.754 -15.372 -15.372 399 H PHE 53 HN PHE 53 10.189 -16.526 -16.526 400 HA PHE 53 HA PHE 53 9.874 -19.235 -19.235 401 1HB PHE 53 HB2 PHE 53 8.299 -18.423 -18.423 402 2HB PHE 53 HB1 PHE 53 7.895 -17.034 -17.034 403 HD1 PHE 53 HD1 PHE 53 8.021 -20.776 -20.776 404 HD2 PHE 53 HD2 PHE 53 5.899 -17.147 -17.147 405 HE1 PHE 53 HE1 PHE 53 6.253 -22.087 -22.087 406 HE2 PHE 53 HE2 PHE 53 4.130 -18.458 -18.458 407 HZ PHE 53 HZ PHE 53 4.311 -20.927 -20.927 408 H LEU 54 HN LEU 54 7.920 -16.663 -16.663 409 HA LEU 54 HA LEU 54 7.378 -18.186 -18.186 410 1HB LEU 54 HB2 LEU 54 7.178 -15.678 -15.678 411 2HB LEU 54 HB1 LEU 54 5.936 -16.423 -16.423 412 HG LEU 54 HG LEU 54 6.828 -15.360 -15.360 413 1HD1 LEU 54 HD13 LEU 54 9.011 -14.600 -14.600 414 2HD1 LEU 54 HD12 LEU 54 8.631 -13.521 -13.521 415 3HD1 LEU 54 HD11 LEU 54 9.126 -15.176 -15.176 416 1HD2 LEU 54 HD21 LEU 54 6.437 -13.504 -13.504 417 2HD2 LEU 54 HD23 LEU 54 5.195 -14.087 -14.087 418 3HD2 LEU 54 HD22 LEU 54 6.434 -12.971 -12.971 419 H LEU 55 HN LEU 55 10.284 -16.707 -16.707 420 HA LEU 55 HA LEU 55 11.312 -16.263 -16.263 421 1HB LEU 55 HB2 LEU 55 12.086 -15.219 -15.219 422 2HB LEU 55 HB1 LEU 55 13.062 -16.678 -16.678 423 HG LEU 55 HG LEU 55 13.107 -14.818 -14.818 424 1HD1 LEU 55 HD11 LEU 55 14.749 -14.904 -14.904 425 2HD1 LEU 55 HD13 LEU 55 15.441 -14.287 -14.287 426 3HD1 LEU 55 HD12 LEU 55 14.021 -13.513 -13.513 427 1HD2 LEU 55 HD22 LEU 55 14.469 -17.369 -17.369 428 2HD2 LEU 55 HD21 LEU 55 14.033 -16.747 -16.747 429 3HD2 LEU 55 HD23 LEU 55 15.468 -16.140 -16.140 430 H LEU 56 HN LEU 56 11.239 -18.892 -18.892 431 HA LEU 56 HA LEU 56 13.229 -20.594 -20.594 432 1HB LEU 56 HB2 LEU 56 10.516 -21.488 -21.488 433 2HB LEU 56 HB1 LEU 56 11.984 -22.450 -22.450 434 HG LEU 56 HG LEU 56 11.393 -20.072 -20.072 435 1HD1 LEU 56 HD11 LEU 56 12.152 -22.952 -22.952 436 2HD1 LEU 56 HD13 LEU 56 11.913 -21.723 -21.723 437 3HD1 LEU 56 HD12 LEU 56 10.558 -22.234 -22.234 438 1HD2 LEU 56 HD23 LEU 56 14.014 -21.412 -21.412 439 2HD2 LEU 56 HD22 LEU 56 13.648 -19.687 -19.687 440 3HD2 LEU 56 HD21 LEU 56 13.769 -20.609 -20.609 441 H LYS 57 HN LYS 57 9.779 -20.483 -20.483 442 HA LYS 57 HA LYS 57 9.931 -22.315 -22.315 443 1HB LYS 57 HB2 LYS 57 7.960 -20.351 -20.351 444 2HB LYS 57 HB1 LYS 57 7.809 -20.699 -20.699 445 1HG LYS 57 HG2 LYS 57 6.729 -22.616 -22.616 446 2HG LYS 57 HG1 LYS 57 8.188 -23.217 -23.217 447 1HD LYS 57 HD2 LYS 57 6.212 -21.419 -21.419 448 2HD LYS 57 HD1 LYS 57 6.118 -23.177 -23.177 449 1HE LYS 57 HE2 LYS 57 8.388 -21.433 -21.433 450 2HE LYS 57 HE1 LYS 57 7.337 -22.465 -22.465 451 1HZ LYS 57 HZ3 LYS 57 8.379 -24.137 -24.137 452 2HZ LYS 57 HZ2 LYS 57 9.690 -23.145 -23.145 453 3HZ LYS 57 HZ1 LYS 57 8.869 -24.030 -24.030 454 H GLY 58 HN GLY 58 8.693 -19.317 -19.317 455 1HA GLY 58 HA2 GLY 58 10.674 -19.274 -19.274 456 2HA GLY 58 HA1 GLY 58 9.418 -18.059 -18.059 457 H ALA 59 HN ALA 59 10.682 -16.164 -16.164 458 HA ALA 59 HA ALA 59 12.027 -15.458 -15.458 459 1HB ALA 59 HB2 ALA 59 13.701 -17.127 -17.127 460 2HB ALA 59 HB1 ALA 59 14.001 -15.947 -15.947 461 3HB ALA 59 HB3 ALA 59 14.339 -15.539 -15.539 462 H ASP 60 HN ASP 60 10.667 -13.632 -13.632 463 HA ASP 60 HA ASP 60 11.235 -11.962 -11.962 464 1HB ASP 60 HB2 ASP 60 9.054 -12.069 -12.069 465 2HB ASP 60 HB1 ASP 60 9.928 -10.958 -10.958 466 H ILE 61 HN ILE 61 12.985 -12.856 -12.856 467 HA ILE 61 HA ILE 61 14.065 -10.687 -10.687 468 HB ILE 61 HB ILE 61 14.616 -13.136 -13.136 469 1HG1 ILE 61 HG12 ILE 61 16.846 -11.096 -11.096 470 2HG1 ILE 61 HG11 ILE 61 15.997 -11.635 -11.635 471 1HG2 ILE 61 HG22 ILE 61 15.017 -13.418 -13.418 472 2HG2 ILE 61 HG21 ILE 61 16.583 -12.647 -12.647 473 3HG2 ILE 61 HG23 ILE 61 16.209 -14.173 -14.173 474 1HD1 ILE 61 HD13 ILE 61 16.963 -14.016 -14.016 475 2HD1 ILE 61 HD12 ILE 61 18.229 -12.933 -12.933 476 3HD1 ILE 61 HD11 ILE 61 17.823 -12.985 -12.985 477 H ASN 62 HN ASN 62 14.355 -11.441 -11.441 478 HA ASN 62 HA ASN 62 16.208 -9.135 -9.135 479 1HB ASN 62 HB2 ASN 62 17.414 -10.425 -10.425 480 2HB ASN 62 HB1 ASN 62 17.545 -11.184 -11.184 481 1HD2 ASN 62 HD21 ASN 62 14.959 -12.405 -12.405 482 2HD2 ASN 62 HD22 ASN 62 14.863 -13.604 -13.604 483 H ALA 63 HN ALA 63 13.740 -11.196 -11.196 484 HA ALA 63 HA ALA 63 13.177 -10.721 -10.721 485 1HB ALA 63 HB1 ALA 63 11.269 -10.178 -10.178 486 2HB ALA 63 HB3 ALA 63 10.754 -10.280 -10.280 487 3HB ALA 63 HB2 ALA 63 11.477 -11.677 -11.677 488 HA PRO 64 HA PRO 64 11.429 -6.034 -6.034 489 1HB PRO 64 HB2 PRO 64 14.226 -5.570 -5.570 490 2HB PRO 64 HB1 PRO 64 12.718 -4.778 -4.778 491 1HG PRO 64 HG2 PRO 64 13.939 -6.931 -6.931 492 2HG PRO 64 HG1 PRO 64 12.265 -6.399 -6.399 493 1HD PRO 64 HD2 PRO 64 13.082 -8.893 -8.893 494 2HD PRO 64 HD1 PRO 64 11.449 -8.221 -8.221 495 H ASP 65 HN ASP 65 11.448 -4.721 -4.721 496 HA ASP 65 HA ASP 65 13.766 -4.445 -4.445 497 1HB ASP 65 HB2 ASP 65 10.974 -5.373 -5.373 498 2HB ASP 65 HB1 ASP 65 12.016 -4.584 -4.584 499 H LYS 66 HN LYS 66 10.422 -3.512 -3.512 500 HA LYS 66 HA LYS 66 10.850 -0.766 -0.766 501 1HB LYS 66 HB2 LYS 66 8.713 -2.217 -2.217 502 2HB LYS 66 HB1 LYS 66 8.392 -1.801 -1.801 503 1HG LYS 66 HG2 LYS 66 7.349 -0.048 -0.048 504 2HG LYS 66 HG1 LYS 66 8.949 0.645 0.645 505 1HD LYS 66 HD2 LYS 66 9.421 -0.409 -0.409 506 2HD LYS 66 HD1 LYS 66 7.665 -0.494 -0.494 507 1HE LYS 66 HE2 LYS 66 9.372 1.975 1.975 508 2HE LYS 66 HE1 LYS 66 8.308 1.599 1.599 509 1HZ LYS 66 HZ3 LYS 66 7.219 1.759 1.759 510 2HZ LYS 66 HZ2 LYS 66 7.492 3.183 3.183 511 3HZ LYS 66 HZ1 LYS 66 6.431 1.996 1.996 512 H HIS 67 HN HIS 67 10.724 -2.605 -2.605 513 HA HIS 67 HA HIS 67 10.405 -0.312 -0.312 514 1HB HIS 67 HB2 HIS 67 11.554 -2.923 -2.923 515 2HB HIS 67 HB1 HIS 67 10.380 -1.885 -1.885 516 HD1 HIS 67 HD1 HIS 67 8.347 -1.625 -1.625 517 HD2 HIS 67 HD2 HIS 67 10.000 -5.226 -5.226 518 HE1 HIS 67 HE1 HIS 67 6.746 -3.448 -3.448 519 H HIS 68 HN HIS 68 12.853 -1.339 -1.339 520 HA HIS 68 HA HIS 68 15.211 -1.188 -1.188 521 1HB HIS 68 HB2 HIS 68 15.913 1.123 1.123 522 2HB HIS 68 HB1 HIS 68 14.515 1.102 1.102 523 HD1 HIS 68 HD1 HIS 68 15.206 1.259 1.259 524 HD2 HIS 68 HD2 HIS 68 12.398 2.579 2.579 525 HE1 HIS 68 HE1 HIS 68 13.557 2.703 2.703 526 H ILE 69 HN ILE 69 13.928 -2.348 -2.348 527 HA ILE 69 HA ILE 69 16.405 -2.158 -2.158 528 HB ILE 69 HB ILE 69 14.330 -0.377 -0.377 529 1HG1 ILE 69 HG12 ILE 69 16.730 -0.092 -0.092 530 2HG1 ILE 69 HG11 ILE 69 15.760 0.181 0.181 531 1HG2 ILE 69 HG21 ILE 69 13.071 -2.226 -2.226 532 2HG2 ILE 69 HG23 ILE 69 14.458 -2.598 -2.598 533 3HG2 ILE 69 HG22 ILE 69 13.613 -1.066 -1.066 534 1HD1 ILE 69 HD11 ILE 69 16.199 -2.409 -2.409 535 2HD1 ILE 69 HD13 ILE 69 17.579 -2.107 -2.107 536 3HD1 ILE 69 HD12 ILE 69 17.408 -1.226 -1.226 537 H THR 70 HN THR 70 16.621 -3.724 -3.724 538 HA THR 70 HA THR 70 14.690 -5.968 -5.968 539 HB THR 70 HB THR 70 16.732 -6.873 -6.873 540 HG1 THR 70 HG1 THR 70 16.311 -7.040 -7.040 541 1HG2 THR 70 HG23 THR 70 17.939 -4.835 -4.835 542 2HG2 THR 70 HG22 THR 70 18.894 -6.087 -6.087 543 3HG2 THR 70 HG21 THR 70 18.055 -4.885 -4.885 544 HA PRO 71 HA PRO 71 13.315 -5.280 -5.280 545 1HB PRO 71 HB2 PRO 71 13.447 -8.064 -8.064 546 2HB PRO 71 HB1 PRO 71 12.036 -7.074 -7.074 547 1HG PRO 71 HG2 PRO 71 13.006 -9.165 -9.165 548 2HG PRO 71 HG1 PRO 71 11.955 -7.863 -7.863 549 1HD PRO 71 HD2 PRO 71 14.878 -8.231 -8.231 550 2HD PRO 71 HD1 PRO 71 13.699 -7.355 -7.355 551 H LEU 72 HN LEU 72 16.497 -6.941 -6.941 552 HA LEU 72 HA LEU 72 16.899 -7.137 -7.137 553 1HB LEU 72 HB2 LEU 72 19.291 -6.072 -6.072 554 2HB LEU 72 HB1 LEU 72 19.106 -7.501 -7.501 555 HG LEU 72 HG LEU 72 19.653 -8.401 -8.401 556 1HD1 LEU 72 HD12 LEU 72 16.792 -8.533 -8.533 557 2HD1 LEU 72 HD11 LEU 72 17.144 -8.832 -8.832 558 3HD1 LEU 72 HD13 LEU 72 17.910 -9.803 -9.803 559 1HD2 LEU 72 HD23 LEU 72 17.897 -6.283 -6.283 560 2HD2 LEU 72 HD22 LEU 72 19.659 -6.346 -6.346 561 3HD2 LEU 72 HD21 LEU 72 18.728 -7.553 -7.553 562 H LEU 73 HN LEU 73 17.213 -4.306 -4.306 563 HA LEU 73 HA LEU 73 18.146 -2.638 -2.638 564 1HB LEU 73 HB2 LEU 73 16.829 -1.770 -1.770 565 2HB LEU 73 HB1 LEU 73 17.762 -0.747 -0.747 566 HG LEU 73 HG LEU 73 19.639 -2.570 -2.570 567 1HD1 LEU 73 HD11 LEU 73 17.618 -3.379 -3.379 568 2HD1 LEU 73 HD13 LEU 73 19.113 -2.950 -2.950 569 3HD1 LEU 73 HD12 LEU 73 19.124 -4.175 -4.175 570 1HD2 LEU 73 HD21 LEU 73 18.848 -0.317 -0.317 571 2HD2 LEU 73 HD23 LEU 73 20.163 -0.379 -0.379 572 3HD2 LEU 73 HD22 LEU 73 20.288 -1.267 -1.267 573 H SER 74 HN SER 74 15.047 -3.749 -3.749 574 HA SER 74 HA SER 74 13.401 -1.704 -1.704 575 1HB SER 74 HB2 SER 74 12.539 -3.609 -3.609 576 2HB SER 74 HB1 SER 74 12.881 -4.689 -4.689 577 HG SER 74 HG SER 74 11.492 -2.632 -2.632 578 H ALA 75 HN ALA 75 14.768 -4.584 -4.584 579 HA ALA 75 HA ALA 75 13.689 -3.909 -3.909 580 1HB ALA 75 HB3 ALA 75 15.906 -5.791 -5.791 581 2HB ALA 75 HB2 ALA 75 15.297 -5.665 -5.665 582 3HB ALA 75 HB1 ALA 75 14.233 -6.222 -6.222 583 H VAL 76 HN VAL 76 16.699 -3.286 -3.286 584 HA VAL 76 HA VAL 76 18.416 -2.501 -2.501 585 HB VAL 76 HB VAL 76 17.884 -1.302 -1.302 586 1HG1 VAL 76 HG11 VAL 76 18.950 0.315 0.315 587 2HG1 VAL 76 HG13 VAL 76 20.381 -0.659 -0.659 588 3HG1 VAL 76 HG12 VAL 76 19.616 0.218 0.218 589 1HG2 VAL 76 HG21 VAL 76 18.850 -3.579 -3.579 590 2HG2 VAL 76 HG23 VAL 76 20.004 -2.437 -2.437 591 3HG2 VAL 76 HG22 VAL 76 20.158 -2.946 -2.946 592 H TYR 77 HN TYR 77 16.382 -0.003 -0.003 593 HA TYR 77 HA TYR 77 16.630 1.734 1.734 594 1HB TYR 77 HB2 TYR 77 14.468 2.348 2.348 595 2HB TYR 77 HB1 TYR 77 15.777 3.370 3.370 596 HD1 TYR 77 HD1 TYR 77 14.804 0.813 0.813 597 HD2 TYR 77 HD2 TYR 77 17.906 3.465 3.465 598 HE1 TYR 77 HE1 TYR 77 16.020 0.444 0.444 599 HE2 TYR 77 HE2 TYR 77 19.131 3.096 3.096 600 HH TYR 77 HH TYR 77 17.768 1.841 1.841 601 H GLU 78 HN GLU 78 15.619 -0.620 -0.620 602 HA GLU 78 HA GLU 78 12.786 0.109 0.109 603 1HB GLU 78 HB2 GLU 78 13.176 -1.919 -1.919 604 2HB GLU 78 HB1 GLU 78 13.684 -2.766 -2.766 605 1HG GLU 78 HG2 GLU 78 11.357 -3.199 -3.199 606 2HG GLU 78 HG1 GLU 78 11.497 -1.926 -1.926 607 H GLY 79 HN GLY 79 15.863 -1.142 -1.142 608 1HA GLY 79 HA2 GLY 79 16.653 -1.020 -1.020 609 2HA GLY 79 HA1 GLY 79 14.990 -0.777 -0.777 610 H HIS 80 HN HIS 80 14.649 -3.107 -3.107 611 HA HIS 80 HA HIS 80 14.520 -5.236 -5.236 612 1HB HIS 80 HB2 HIS 80 13.701 -4.882 -4.882 613 2HB HIS 80 HB1 HIS 80 13.906 -6.523 -6.523 614 HD1 HIS 80 HD1 HIS 80 11.832 -7.472 -7.472 615 HD2 HIS 80 HD2 HIS 80 11.922 -3.316 -3.316 616 HE1 HIS 80 HE1 HIS 80 9.622 -6.787 -6.787 617 H VAL 81 HN VAL 81 16.025 -4.911 -4.911 618 HA VAL 81 HA VAL 81 17.802 -6.134 -6.134 619 HB VAL 81 HB VAL 81 19.928 -5.673 -5.673 620 1HG1 VAL 81 HG11 VAL 81 19.298 -4.575 -4.575 621 2HG1 VAL 81 HG13 VAL 81 18.300 -3.437 -3.437 622 3HG1 VAL 81 HG12 VAL 81 20.047 -3.460 -3.460 623 1HG2 VAL 81 HG22 VAL 81 18.571 -5.068 -5.068 624 2HG2 VAL 81 HG21 VAL 81 19.565 -3.724 -3.724 625 3HG2 VAL 81 HG23 VAL 81 17.841 -3.750 -3.750 626 H SER 82 HN SER 82 16.169 -7.549 -7.549 627 HA SER 82 HA SER 82 18.124 -9.569 -9.569 628 1HB SER 82 HB2 SER 82 15.271 -8.943 -8.943 629 2HB SER 82 HB1 SER 82 15.647 -10.663 -10.663 630 HG SER 82 HG SER 82 17.205 -10.311 -10.311 631 H CYS 83 HN CYS 83 15.970 -8.865 -8.865 632 HA CYS 83 HA CYS 83 15.805 -11.570 -11.570 633 1HB CYS 83 HB2 CYS 83 13.932 -10.331 -10.331 634 2HB CYS 83 HB1 CYS 83 14.847 -8.836 -8.836 635 HG CYS 83 HG CYS 83 14.476 -10.965 -10.965 636 H VAL 84 HN VAL 84 17.458 -8.523 -8.523 637 HA VAL 84 HA VAL 84 18.803 -9.229 -9.229 638 HB VAL 84 HB VAL 84 20.702 -7.814 -7.814 639 1HG1 VAL 84 HG12 VAL 84 18.648 -6.778 -6.778 640 2HG1 VAL 84 HG11 VAL 84 17.991 -6.659 -6.659 641 3HG1 VAL 84 HG13 VAL 84 19.433 -5.748 -5.748 642 1HG2 VAL 84 HG22 VAL 84 19.284 -8.291 -8.291 643 2HG2 VAL 84 HG21 VAL 84 21.010 -8.185 -8.185 644 3HG2 VAL 84 HG23 VAL 84 20.039 -6.719 -6.719 645 H LYS 85 HN LYS 85 19.587 -10.128 -10.128 646 HA LYS 85 HA LYS 85 22.042 -11.403 -11.403 647 1HB LYS 85 HB2 LYS 85 20.410 -11.031 -11.031 648 2HB LYS 85 HB1 LYS 85 20.102 -12.738 -12.738 649 1HG LYS 85 HG2 LYS 85 22.133 -13.337 -13.337 650 2HG LYS 85 HG1 LYS 85 22.968 -12.112 -12.112 651 1HD LYS 85 HD2 LYS 85 21.375 -11.326 -11.326 652 2HD LYS 85 HD1 LYS 85 23.029 -11.917 -11.917 653 1HE LYS 85 HE2 LYS 85 22.363 -9.717 -9.717 654 2HE LYS 85 HE1 LYS 85 22.668 -9.356 -9.356 655 1HZ LYS 85 HZ3 LYS 85 24.802 -10.513 -10.513 656 2HZ LYS 85 HZ2 LYS 85 24.509 -10.771 -10.771 657 3HZ LYS 85 HZ1 LYS 85 24.699 -9.192 -9.192 658 H LEU 86 HN LEU 86 19.161 -13.472 -13.472 659 HA LEU 86 HA LEU 86 20.329 -15.606 -15.606 660 1HB LEU 86 HB2 LEU 86 18.128 -16.706 -16.706 661 2HB LEU 86 HB1 LEU 86 18.631 -16.116 -16.116 662 HG LEU 86 HG LEU 86 16.249 -15.700 -15.700 663 1HD1 LEU 86 HD11 LEU 86 17.856 -14.122 -14.122 664 2HD1 LEU 86 HD13 LEU 86 17.527 -13.001 -13.001 665 3HD1 LEU 86 HD12 LEU 86 16.205 -13.620 -13.620 666 1HD2 LEU 86 HD22 LEU 86 16.726 -15.279 -15.279 667 2HD2 LEU 86 HD21 LEU 86 15.457 -14.351 -14.351 668 3HD2 LEU 86 HD23 LEU 86 17.032 -13.617 -13.617 669 H LEU 87 HN LEU 87 19.488 -12.772 -12.772 670 HA LEU 87 HA LEU 87 17.997 -13.706 -13.706 671 1HB LEU 87 HB2 LEU 87 18.635 -11.191 -11.191 672 2HB LEU 87 HB1 LEU 87 19.391 -11.210 -11.210 673 HG LEU 87 HG LEU 87 16.496 -11.908 -11.908 674 1HD1 LEU 87 HD11 LEU 87 17.785 -9.413 -9.413 675 2HD1 LEU 87 HD13 LEU 87 16.054 -9.738 -9.738 676 3HD1 LEU 87 HD12 LEU 87 16.882 -9.531 -9.531 677 1HD2 LEU 87 HD23 LEU 87 18.233 -11.893 -11.893 678 2HD2 LEU 87 HD22 LEU 87 16.967 -13.028 -13.028 679 3HD2 LEU 87 HD21 LEU 87 16.539 -11.442 -11.442 680 H LEU 88 HN LEU 88 21.184 -12.049 -12.049 681 HA LEU 88 HA LEU 88 21.894 -13.084 -13.084 682 1HB LEU 88 HB2 LEU 88 24.201 -12.607 -12.607 683 2HB LEU 88 HB1 LEU 88 23.230 -11.332 -11.332 684 HG LEU 88 HG LEU 88 24.890 -11.873 -11.873 685 1HD1 LEU 88 HD13 LEU 88 22.493 -11.725 -11.725 686 2HD1 LEU 88 HD12 LEU 88 22.493 -13.485 -13.485 687 3HD1 LEU 88 HD11 LEU 88 23.600 -12.563 -12.563 688 1HD2 LEU 88 HD21 LEU 88 25.051 -14.323 -14.323 689 2HD2 LEU 88 HD23 LEU 88 25.797 -13.941 -13.941 690 3HD2 LEU 88 HD22 LEU 88 24.233 -14.747 -14.747 691 H SER 89 HN SER 89 21.511 -14.770 -14.770 692 HA SER 89 HA SER 89 23.313 -16.941 -16.941 693 1HB SER 89 HB2 SER 89 21.707 -16.493 -16.493 694 2HB SER 89 HB1 SER 89 20.477 -17.278 -17.278 695 HG SER 89 HG SER 89 21.692 -19.134 -19.134 696 H LYS 90 HN LYS 90 20.575 -15.859 -15.859 697 HA LYS 90 HA LYS 90 20.288 -18.421 -18.421 698 1HB LYS 90 HB2 LYS 90 18.572 -15.974 -15.974 699 2HB LYS 90 HB1 LYS 90 18.323 -17.012 -17.012 700 1HG LYS 90 HG2 LYS 90 17.767 -18.866 -18.866 701 2HG LYS 90 HG1 LYS 90 18.462 -18.167 -18.167 702 1HD LYS 90 HD2 LYS 90 16.232 -16.673 -16.673 703 2HD LYS 90 HD1 LYS 90 15.817 -18.145 -18.145 704 1HE LYS 90 HE2 LYS 90 17.379 -15.804 -15.804 705 2HE LYS 90 HE1 LYS 90 15.691 -16.176 -16.176 706 1HZ LYS 90 HZ1 LYS 90 16.561 -18.428 -18.428 707 2HZ LYS 90 HZ3 LYS 90 18.103 -17.722 -17.722 708 3HZ LYS 90 HZ2 LYS 90 16.891 -17.109 -17.109 709 H GLY 91 HN GLY 91 21.724 -15.350 -15.350 710 1HA GLY 91 HA2 GLY 91 23.374 -15.247 -15.247 711 2HA GLY 91 HA1 GLY 91 21.946 -15.480 -15.480 712 H ALA 92 HN ALA 92 20.514 -13.750 -13.750 713 HA ALA 92 HA ALA 92 20.100 -11.446 -11.446 714 1HB ALA 92 HB3 ALA 92 19.912 -12.152 -12.152 715 2HB ALA 92 HB2 ALA 92 20.447 -10.481 -10.481 716 3HB ALA 92 HB1 ALA 92 18.941 -10.998 -10.998 717 H ASP 93 HN ASP 93 23.096 -12.388 -12.388 718 HA ASP 93 HA ASP 93 25.201 -11.334 -11.334 719 1HB ASP 93 HB2 ASP 93 24.449 -10.955 -10.955 720 2HB ASP 93 HB1 ASP 93 23.938 -9.345 -9.345 721 H LYS 94 HN LYS 94 24.212 -8.156 -8.156 722 HA LYS 94 HA LYS 94 23.508 -7.383 -7.383 723 1HB LYS 94 HB2 LYS 94 25.883 -7.773 -7.773 724 2HB LYS 94 HB1 LYS 94 26.270 -6.778 -6.778 725 1HG LYS 94 HG2 LYS 94 24.754 -5.031 -5.031 726 2HG LYS 94 HG1 LYS 94 25.559 -5.969 -5.969 727 1HD LYS 94 HD2 LYS 94 27.030 -4.158 -4.158 728 2HD LYS 94 HD1 LYS 94 27.731 -5.574 -5.574 729 1HE LYS 94 HE2 LYS 94 27.025 -4.893 -4.893 730 2HE LYS 94 HE1 LYS 94 25.840 -3.760 -3.760 731 1HZ LYS 94 HZ2 LYS 94 28.229 -2.946 -2.946 732 2HZ LYS 94 HZ1 LYS 94 28.604 -3.372 -3.372 733 3HZ LYS 94 HZ3 LYS 94 27.396 -2.223 -2.223 734 H THR 95 HN THR 95 24.776 -6.426 -6.426 735 HA THR 95 HA THR 95 22.921 -4.070 -4.070 736 HB THR 95 HB THR 95 24.844 -3.621 -3.621 737 HG1 THR 95 HG1 THR 95 26.723 -3.703 -3.703 738 1HG2 THR 95 HG23 THR 95 24.396 -2.513 -2.513 739 2HG2 THR 95 HG22 THR 95 25.729 -1.928 -1.928 740 3HG2 THR 95 HG21 THR 95 24.070 -1.756 -1.756 741 H VAL 96 HN VAL 96 21.820 -6.372 -6.372 742 HA VAL 96 HA VAL 96 22.199 -7.289 -7.289 743 HB VAL 96 HB VAL 96 19.724 -7.525 -7.525 744 1HG1 VAL 96 HG13 VAL 96 20.744 -9.014 -9.014 745 2HG1 VAL 96 HG12 VAL 96 19.550 -9.714 -9.714 746 3HG1 VAL 96 HG11 VAL 96 19.179 -8.228 -8.228 747 1HG2 VAL 96 HG22 VAL 96 21.976 -8.288 -8.288 748 2HG2 VAL 96 HG21 VAL 96 20.665 -9.463 -9.463 749 3HG2 VAL 96 HG23 VAL 96 21.945 -9.550 -9.550 750 H LYS 97 HN LYS 97 20.650 -4.475 -4.475 751 HA LYS 97 HA LYS 97 19.847 -3.715 -3.715 752 1HB LYS 97 HB2 LYS 97 18.038 -5.342 -5.342 753 2HB LYS 97 HB1 LYS 97 17.428 -3.759 -3.759 754 1HG LYS 97 HG2 LYS 97 16.356 -4.123 -4.123 755 2HG LYS 97 HG1 LYS 97 17.757 -3.165 -3.165 756 1HD LYS 97 HD2 LYS 97 18.969 -5.170 -5.170 757 2HD LYS 97 HD1 LYS 97 17.669 -6.197 -6.197 758 1HE LYS 97 HE2 LYS 97 17.278 -6.074 -6.074 759 2HE LYS 97 HE1 LYS 97 16.146 -4.911 -4.911 760 1HZ LYS 97 HZ3 LYS 97 18.556 -3.585 -3.585 761 2HZ LYS 97 HZ2 LYS 97 18.240 -4.456 -4.456 762 3HZ LYS 97 HZ1 LYS 97 17.094 -3.352 -3.352 763 H GLY 98 HN GLY 98 20.747 -2.828 -2.828 764 1HA GLY 98 HA2 GLY 98 19.235 -0.375 -0.375 765 2HA GLY 98 HA1 GLY 98 20.743 -0.759 -0.759 766 HA PRO 99 HA PRO 99 21.332 2.514 2.514 767 1HB PRO 99 HB2 PRO 99 22.659 4.108 4.108 768 2HB PRO 99 HB1 PRO 99 21.183 4.493 4.493 769 1HG PRO 99 HG2 PRO 99 21.426 3.678 3.678 770 2HG PRO 99 HG1 PRO 99 19.961 4.143 4.143 771 1HD PRO 99 HD2 PRO 99 20.684 1.509 1.509 772 2HD PRO 99 HD1 PRO 99 19.301 1.956 1.956 773 H ASP 100 HN ASP 100 23.652 2.698 2.698 774 HA ASP 100 HA ASP 100 25.557 1.035 1.035 775 1HB ASP 100 HB2 ASP 100 25.881 3.551 3.551 776 2HB ASP 100 HB1 ASP 100 26.375 3.650 3.650 777 H GLY 101 HN GLY 101 27.470 2.252 2.252 778 1HA GLY 101 HA2 GLY 101 27.438 0.036 0.036 779 2HA GLY 101 HA1 GLY 101 28.311 1.535 1.535 780 H LEU 102 HN LEU 102 25.074 2.266 2.266 781 HA LEU 102 HA LEU 102 24.616 3.298 3.298 782 1HB LEU 102 HB2 LEU 102 23.117 3.647 3.647 783 2HB LEU 102 HB1 LEU 102 22.471 2.027 2.027 784 HG LEU 102 HG LEU 102 22.318 4.344 4.344 785 1HD1 LEU 102 HD12 LEU 102 20.311 2.962 2.962 786 2HD1 LEU 102 HD11 LEU 102 19.821 3.913 3.913 787 3HD1 LEU 102 HD13 LEU 102 20.701 4.680 4.680 788 1HD2 LEU 102 HD21 LEU 102 21.585 1.442 1.442 789 2HD2 LEU 102 HD23 LEU 102 22.434 2.471 2.471 790 3HD2 LEU 102 HD22 LEU 102 20.704 2.673 2.673 791 H THR 103 HN THR 103 23.107 0.275 0.275 792 HA THR 103 HA THR 103 22.121 -1.300 -1.300 793 HB THR 103 HB THR 103 23.889 -2.591 -2.591 794 HG1 THR 103 HG1 THR 103 23.326 -3.281 -3.281 795 1HG2 THR 103 HG21 THR 103 25.663 -0.605 -0.605 796 2HG2 THR 103 HG23 THR 103 26.276 -2.102 -2.102 797 3HG2 THR 103 HG22 THR 103 25.533 -0.889 -0.889 798 H ALA 104 HN ALA 104 24.800 -1.423 -1.423 799 HA ALA 104 HA ALA 104 23.182 -0.275 -0.275 800 1HB ALA 104 HB3 ALA 104 25.657 -1.995 -1.995 801 2HB ALA 104 HB2 ALA 104 25.066 -1.258 -1.258 802 3HB ALA 104 HB1 ALA 104 24.064 -2.411 -2.411 803 H LEU 105 HN LEU 105 26.110 0.402 0.402 804 HA LEU 105 HA LEU 105 27.487 2.101 2.101 805 1HB LEU 105 HB2 LEU 105 27.206 2.584 2.584 806 2HB LEU 105 HB1 LEU 105 28.563 3.005 3.005 807 HG LEU 105 HG LEU 105 27.659 0.219 0.219 808 1HD1 LEU 105 HD12 LEU 105 28.971 1.435 1.435 809 2HD1 LEU 105 HD11 LEU 105 30.231 1.747 1.747 810 3HD1 LEU 105 HD13 LEU 105 29.896 0.095 0.095 811 1HD2 LEU 105 HD22 LEU 105 29.579 1.222 1.222 812 2HD2 LEU 105 HD21 LEU 105 28.396 -0.081 -0.081 813 3HD2 LEU 105 HD23 LEU 105 29.881 -0.318 -0.318 814 H GLU 106 HN GLU 106 25.658 3.503 3.503 815 HA GLU 106 HA GLU 106 25.418 5.999 5.999 816 1HB GLU 106 HB2 GLU 106 23.983 5.249 5.249 817 2HB GLU 106 HB1 GLU 106 24.474 6.847 6.847 818 1HG GLU 106 HG2 GLU 106 26.446 4.624 4.624 819 2HG GLU 106 HG1 GLU 106 25.952 5.806 5.806 820 H ALA 107 HN ALA 107 23.792 3.258 3.258 821 HA ALA 107 HA ALA 107 21.065 4.273 4.273 822 1HB ALA 107 HB3 ALA 107 22.343 1.789 1.789 823 2HB ALA 107 HB2 ALA 107 20.676 2.193 2.193 824 3HB ALA 107 HB1 ALA 107 21.146 1.945 1.945 825 H THR 108 HN THR 108 23.377 3.620 3.620 826 HA THR 108 HA THR 108 22.023 5.770 5.770 827 HB THR 108 HB THR 108 20.659 3.746 3.746 828 HG1 THR 108 HG1 THR 108 21.410 3.754 3.754 829 1HG2 THR 108 HG23 THR 108 22.822 2.293 2.293 830 2HG2 THR 108 HG22 THR 108 23.021 2.589 2.589 831 3HG2 THR 108 HG21 THR 108 21.575 1.774 1.774 832 H ASP 109 HN ASP 109 22.941 4.679 4.679 833 HA ASP 109 HA ASP 109 25.877 4.741 4.741 834 1HB ASP 109 HB2 ASP 109 25.171 7.070 7.070 835 2HB ASP 109 HB1 ASP 109 24.306 6.547 6.547 836 H ASN 110 HN ASN 110 23.100 3.369 3.369 837 HA ASN 110 HA ASN 110 24.321 2.633 2.633 838 1HB ASN 110 HB2 ASN 110 22.403 1.159 1.159 839 2HB ASN 110 HB1 ASN 110 21.841 2.724 2.724 840 1HD2 ASN 110 HD21 ASN 110 23.176 1.538 1.538 841 2HD2 ASN 110 HD22 ASN 110 21.864 0.695 0.695 842 H GLN 111 HN GLN 111 25.498 0.808 0.808 843 HA GLN 111 HA GLN 111 26.854 -0.416 -0.416 844 1HB GLN 111 HB2 GLN 111 28.032 -0.068 -0.068 845 2HB GLN 111 HB1 GLN 111 26.827 -0.920 -0.920 846 1HG GLN 111 HG2 GLN 111 27.523 -3.029 -3.029 847 2HG GLN 111 HG1 GLN 111 28.335 -2.343 -2.343 848 1HE2 GLN 111 HE21 GLN 111 28.582 -2.730 -2.730 849 2HE2 GLN 111 HE22 GLN 111 30.242 -2.386 -2.386 850 H ALA 112 HN ALA 112 23.750 -1.194 -1.194 851 HA ALA 112 HA ALA 112 24.104 -4.108 -4.108 852 1HB ALA 112 HB1 ALA 112 22.243 -3.122 -3.122 853 2HB ALA 112 HB3 ALA 112 21.548 -2.485 -2.485 854 3HB ALA 112 HB2 ALA 112 21.663 -4.228 -4.228 855 H ILE 113 HN ILE 113 22.873 -1.475 -1.475 856 HA ILE 113 HA ILE 113 22.291 -2.994 -2.994 857 HB ILE 113 HB ILE 113 22.715 -0.112 -0.112 858 1HG1 ILE 113 HG12 ILE 113 20.451 0.006 0.006 859 2HG1 ILE 113 HG11 ILE 113 20.443 -1.750 -1.750 860 1HG2 ILE 113 HG23 ILE 113 22.779 -1.249 -1.249 861 2HG2 ILE 113 HG22 ILE 113 22.185 0.385 0.385 862 3HG2 ILE 113 HG21 ILE 113 23.837 -0.046 -0.046 863 1HD1 ILE 113 HD13 ILE 113 21.078 -1.053 -1.053 864 2HD1 ILE 113 HD12 ILE 113 20.056 0.304 0.304 865 3HD1 ILE 113 HD11 ILE 113 19.432 -1.339 -1.339 866 H LYS 114 HN LYS 114 24.893 -0.853 -0.853 867 HA LYS 114 HA LYS 114 26.539 -1.191 -1.191 868 1HB LYS 114 HB2 LYS 114 27.684 -0.874 -0.874 869 2HB LYS 114 HB1 LYS 114 28.218 -0.128 -0.128 870 1HG LYS 114 HG2 LYS 114 25.451 0.612 0.612 871 2HG LYS 114 HG1 LYS 114 26.574 1.070 1.070 872 1HD LYS 114 HD2 LYS 114 26.320 2.867 2.867 873 2HD LYS 114 HD1 LYS 114 27.964 2.235 2.235 874 1HE LYS 114 HE2 LYS 114 26.109 0.848 0.848 875 2HE LYS 114 HE1 LYS 114 26.349 2.549 2.549 876 1HZ LYS 114 HZ1 LYS 114 28.712 0.972 0.972 877 2HZ LYS 114 HZ3 LYS 114 27.987 0.695 0.695 878 3HZ LYS 114 HZ2 LYS 114 28.528 2.252 2.252 879 H ALA 115 HN ALA 115 25.520 -3.434 -3.434 880 HA ALA 115 HA ALA 115 27.831 -5.141 -5.141 881 1HB ALA 115 HB2 ALA 115 25.670 -5.178 -5.178 882 2HB ALA 115 HB1 ALA 115 25.009 -6.182 -6.182 883 3HB ALA 115 HB3 ALA 115 26.446 -6.705 -6.705 884 H LEU 116 HN LEU 116 25.060 -4.838 -4.838 885 HA LEU 116 HA LEU 116 25.655 -7.279 -7.279 886 1HB LEU 116 HB2 LEU 116 23.774 -5.077 -5.077 887 2HB LEU 116 HB1 LEU 116 24.407 -5.574 -5.574 888 HG LEU 116 HG LEU 116 22.992 -7.314 -7.314 889 1HD1 LEU 116 HD11 LEU 116 22.376 -6.330 -6.330 890 2HD1 LEU 116 HD13 LEU 116 21.517 -7.689 -7.689 891 3HD1 LEU 116 HD12 LEU 116 21.431 -6.092 -6.092 892 1HD2 LEU 116 HD22 LEU 116 24.829 -8.036 -8.036 893 2HD2 LEU 116 HD21 LEU 116 24.369 -8.969 -8.969 894 3HD2 LEU 116 HD23 LEU 116 23.298 -8.907 -8.907 895 H LEU 117 HN LEU 117 27.068 -4.090 -4.090 896 HA LEU 117 HA LEU 117 28.235 -4.538 -4.538 897 1HB LEU 117 HB2 LEU 117 29.233 -2.464 -2.464 898 2HB LEU 117 HB1 LEU 117 27.870 -2.271 -2.271 899 HG LEU 117 HG LEU 117 29.637 -3.265 -3.265 900 1HD1 LEU 117 HD13 LEU 117 31.315 -3.289 -3.289 901 2HD1 LEU 117 HD12 LEU 117 31.495 -1.586 -1.586 902 3HD1 LEU 117 HD11 LEU 117 31.872 -2.821 -2.821 903 1HD2 LEU 117 HD23 LEU 117 28.416 -0.968 -0.968 904 2HD2 LEU 117 HD22 LEU 117 29.905 -1.057 -1.057 905 3HD2 LEU 117 HD21 LEU 117 29.921 -0.367 -0.367 906 H GLN 118 HN GLN 118 28.809 -5.383 -5.383 907 HA GLN 118 HA GLN 118 30.798 -6.268 -6.268 908 1HB GLN 118 HB2 GLN 118 29.068 -7.926 -7.926 909 2HB GLN 118 HB1 GLN 118 30.670 -8.493 -8.493 910 1HG GLN 118 HG2 GLN 118 31.237 -8.490 -8.490 911 2HG GLN 118 HG1 GLN 118 29.522 -8.227 -8.227 912 1HE2 GLN 118 HE21 GLN 118 28.829 -9.898 -9.898 913 2HE2 GLN 118 HE22 GLN 118 29.045 -11.504 -11.504 Start of MODEL 34 1 1H MET 1 HT1 MET 1 -14.330 -11.108 -11.108 2 2H MET 1 HT3 MET 1 -14.037 -11.838 -11.838 3 3H MET 1 HT2 MET 1 -13.597 -12.639 -12.639 4 HA MET 1 HA MET 1 -11.620 -11.750 -11.750 5 1HB MET 1 HB2 MET 1 -12.870 -9.006 -9.006 6 2HB MET 1 HB1 MET 1 -11.413 -9.491 -9.491 7 1HG MET 1 HG2 MET 1 -14.262 -10.272 -10.272 8 2HG MET 1 HG1 MET 1 -13.220 -9.186 -9.186 9 1HE MET 1 HE1 MET 1 -13.988 -10.528 -10.528 10 2HE MET 1 HE3 MET 1 -12.287 -10.151 -10.151 11 3HE MET 1 HE2 MET 1 -12.919 -11.752 -11.752 12 H CYS 2 HN CYS 2 -10.240 -11.812 -11.812 13 HA CYS 2 HA CYS 2 -10.722 -9.996 -9.996 14 1HB CYS 2 HB2 CYS 2 -11.608 -12.465 -12.465 15 2HB CYS 2 HB1 CYS 2 -9.902 -12.833 -12.833 16 HG CYS 2 HG CYS 2 -10.369 -10.555 -10.555 17 H ASP 3 HN ASP 3 -8.824 -9.523 -9.523 18 HA ASP 3 HA ASP 3 -6.288 -10.734 -10.734 19 1HB ASP 3 HB2 ASP 3 -7.057 -7.928 -7.928 20 2HB ASP 3 HB1 ASP 3 -5.393 -8.512 -8.512 21 H LYS 4 HN LYS 4 -8.012 -8.465 -8.465 22 HA LYS 4 HA LYS 4 -5.875 -7.284 -7.284 23 1HB LYS 4 HB2 LYS 4 -8.641 -8.055 -8.055 24 2HB LYS 4 HB1 LYS 4 -7.546 -6.946 -6.946 25 1HG LYS 4 HG2 LYS 4 -7.508 -5.610 -5.610 26 2HG LYS 4 HG1 LYS 4 -8.892 -6.585 -6.585 27 1HD LYS 4 HD2 LYS 4 -9.963 -4.764 -4.764 28 2HD LYS 4 HD1 LYS 4 -9.853 -5.878 -5.878 29 1HE LYS 4 HE2 LYS 4 -7.926 -4.742 -4.742 30 2HE LYS 4 HE1 LYS 4 -7.751 -3.777 -3.777 31 1HZ LYS 4 HZ3 LYS 4 -10.345 -3.544 -3.544 32 2HZ LYS 4 HZ2 LYS 4 -9.100 -3.039 -3.039 33 3HZ LYS 4 HZ1 LYS 4 -9.269 -2.331 -2.331 34 H GLU 5 HN GLU 5 -7.914 -9.962 -9.962 35 HA GLU 5 HA GLU 5 -6.256 -10.736 -10.736 36 1HB GLU 5 HB2 GLU 5 -8.303 -12.101 -12.101 37 2HB GLU 5 HB1 GLU 5 -7.246 -13.145 -13.145 38 1HG GLU 5 HG2 GLU 5 -9.326 -12.481 -12.481 39 2HG GLU 5 HG1 GLU 5 -7.850 -11.976 -11.976 40 H PHE 6 HN PHE 6 -5.839 -11.380 -11.380 41 HA PHE 6 HA PHE 6 -3.911 -13.491 -13.491 42 1HB PHE 6 HB2 PHE 6 -4.899 -13.327 -13.327 43 2HB PHE 6 HB1 PHE 6 -4.609 -11.595 -11.595 44 HD1 PHE 6 HD2 PHE 6 -2.173 -14.210 -14.210 45 HD2 PHE 6 HD1 PHE 6 -3.336 -11.450 -11.450 46 HE1 PHE 6 HE2 PHE 6 -0.040 -14.632 -14.632 47 HE2 PHE 6 HE1 PHE 6 -1.200 -11.877 -11.877 48 HZ PHE 6 HZ PHE 6 0.448 -13.468 -13.468 49 H MET 7 HN MET 7 -3.285 -10.108 -10.108 50 HA MET 7 HA MET 7 -0.483 -10.348 -10.348 51 1HB MET 7 HB2 MET 7 -0.251 -8.199 -8.199 52 2HB MET 7 HB1 MET 7 -1.756 -8.682 -8.682 53 1HG MET 7 HG2 MET 7 -2.995 -7.622 -7.622 54 2HG MET 7 HG1 MET 7 -1.448 -6.996 -6.996 55 1HE MET 7 HE3 MET 7 -3.755 -7.531 -7.531 56 2HE MET 7 HE2 MET 7 -4.494 -5.955 -5.955 57 3HE MET 7 HE1 MET 7 -3.537 -6.234 -6.234 58 H TRP 8 HN TRP 8 -3.265 -9.015 -9.015 59 HA TRP 8 HA TRP 8 -1.965 -7.664 -7.664 60 1HB TRP 8 HB2 TRP 8 -4.449 -7.802 -7.802 61 2HB TRP 8 HB1 TRP 8 -4.396 -9.457 -9.457 62 HD1 TRP 8 HD1 TRP 8 -3.858 -9.827 -9.827 63 HE1 TRP 8 HE1 TRP 8 -3.986 -8.246 -8.246 64 HE3 TRP 8 HE3 TRP 8 -4.128 -5.328 -5.328 65 HZ2 TRP 8 HZ2 TRP 8 -4.178 -5.442 -5.442 66 HZ3 TRP 8 HZ3 TRP 8 -4.284 -3.220 -3.220 67 HH2 TRP 8 HH2 TRP 8 -4.309 -3.271 -3.271 68 H ALA 9 HN ALA 9 -1.710 -10.938 -10.938 69 HA ALA 9 HA ALA 9 -1.116 -11.912 -11.912 70 1HB ALA 9 HB2 ALA 9 -0.876 -13.170 -13.170 71 2HB ALA 9 HB1 ALA 9 -0.427 -14.002 -14.002 72 3HB ALA 9 HB3 ALA 9 -2.096 -13.501 -13.501 73 H LEU 10 HN LEU 10 0.747 -11.295 -11.295 74 HA LEU 10 HA LEU 10 3.315 -11.964 -11.964 75 1HB LEU 10 HB2 LEU 10 2.555 -9.313 -9.313 76 2HB LEU 10 HB1 LEU 10 4.135 -10.075 -10.075 77 HG LEU 10 HG LEU 10 1.885 -11.740 -11.740 78 1HD1 LEU 10 HD11 LEU 10 1.360 -9.346 -9.346 79 2HD1 LEU 10 HD13 LEU 10 2.865 -9.402 -9.402 80 3HD1 LEU 10 HD12 LEU 10 1.562 -10.520 -10.520 81 1HD2 LEU 10 HD23 LEU 10 4.485 -12.106 -12.106 82 2HD2 LEU 10 HD22 LEU 10 3.527 -12.494 -12.494 83 3HD2 LEU 10 HD21 LEU 10 4.422 -10.978 -10.978 84 H LYS 11 HN LYS 11 1.480 -9.143 -9.143 85 HA LYS 11 HA LYS 11 3.645 -7.959 -7.959 86 1HB LYS 11 HB2 LYS 11 1.991 -6.647 -6.647 87 2HB LYS 11 HB1 LYS 11 0.722 -7.235 -7.235 88 1HG LYS 11 HG2 LYS 11 2.430 -6.282 -6.282 89 2HG LYS 11 HG1 LYS 11 2.864 -5.219 -5.219 90 1HD LYS 11 HD2 LYS 11 1.075 -4.177 -4.177 91 2HD LYS 11 HD1 LYS 11 0.430 -4.697 -4.697 92 1HE LYS 11 HE2 LYS 11 0.246 -6.802 -6.802 93 2HE LYS 11 HE1 LYS 11 -0.640 -5.350 -5.350 94 1HZ LYS 11 HZ1 LYS 11 -0.890 -6.501 -6.501 95 2HZ LYS 11 HZ3 LYS 11 -1.823 -7.094 -7.094 96 3HZ LYS 11 HZ2 LYS 11 -1.959 -5.466 -5.466 97 H ASN 12 HN ASN 12 0.361 -9.163 -9.163 98 HA ASN 12 HA ASN 12 0.966 -8.848 -8.848 99 1HB ASN 12 HB2 ASN 12 -1.290 -9.631 -9.631 100 2HB ASN 12 HB1 ASN 12 -1.164 -10.643 -10.643 101 1HD2 ASN 12 HD21 ASN 12 -0.855 -9.369 -9.369 102 2HD2 ASN 12 HD22 ASN 12 -1.672 -7.889 -7.889 103 H GLY 13 HN GLY 13 2.757 -10.617 -10.617 104 1HA GLY 13 HA2 GLY 13 3.888 -12.638 -12.638 105 2HA GLY 13 HA1 GLY 13 3.434 -12.481 -12.481 106 H ASP 14 HN ASP 14 0.682 -12.633 -12.633 107 HA ASP 14 HA ASP 14 -0.076 -15.185 -15.185 108 1HB ASP 14 HB2 ASP 14 -1.279 -14.004 -14.004 109 2HB ASP 14 HB1 ASP 14 -2.027 -15.004 -15.004 110 H LEU 15 HN LEU 15 2.355 -15.500 -15.500 111 HA LEU 15 HA LEU 15 2.966 -16.228 -16.228 112 1HB LEU 15 HB2 LEU 15 4.488 -16.353 -16.353 113 2HB LEU 15 HB1 LEU 15 3.643 -17.784 -17.784 114 HG LEU 15 HG LEU 15 5.836 -18.113 -18.113 115 1HD1 LEU 15 HD11 LEU 15 3.800 -19.763 -19.763 116 2HD1 LEU 15 HD13 LEU 15 3.664 -19.652 -19.652 117 3HD1 LEU 15 HD12 LEU 15 5.154 -20.222 -20.222 118 1HD2 LEU 15 HD23 LEU 15 5.032 -16.461 -16.461 119 2HD2 LEU 15 HD22 LEU 15 5.822 -17.941 -17.941 120 3HD2 LEU 15 HD21 LEU 15 4.068 -17.807 -17.807 121 H ASP 16 HN ASP 16 0.904 -17.997 -17.997 122 HA ASP 16 HA ASP 16 0.725 -20.431 -20.431 123 1HB ASP 16 HB2 ASP 16 -1.358 -19.080 -19.080 124 2HB ASP 16 HB1 ASP 16 -1.334 -20.780 -20.780 125 H GLU 17 HN GLU 17 -0.785 -17.306 -17.306 126 HA GLU 17 HA GLU 17 -2.840 -18.292 -18.292 127 1HB GLU 17 HB2 GLU 17 -1.949 -15.595 -15.595 128 2HB GLU 17 HB1 GLU 17 -3.000 -15.710 -15.710 129 1HG GLU 17 HG2 GLU 17 -3.624 -17.136 -17.136 130 2HG GLU 17 HG1 GLU 17 -4.167 -15.488 -15.488 131 H VAL 18 HN VAL 18 0.207 -16.419 -16.419 132 HA VAL 18 HA VAL 18 -0.062 -16.348 -16.348 133 HB VAL 18 HB VAL 18 2.658 -16.337 -16.337 134 1HG1 VAL 18 HG13 VAL 18 1.269 -14.579 -14.579 135 2HG1 VAL 18 HG12 VAL 18 0.836 -13.982 -13.982 136 3HG1 VAL 18 HG11 VAL 18 2.513 -13.924 -13.924 137 1HG2 VAL 18 HG21 VAL 18 2.064 -16.744 -16.744 138 2HG2 VAL 18 HG23 VAL 18 3.236 -15.486 -15.486 139 3HG2 VAL 18 HG22 VAL 18 1.573 -15.055 -15.055 140 H LYS 19 HN LYS 19 1.048 -18.637 -18.637 141 HA LYS 19 HA LYS 19 2.554 -20.416 -20.416 142 1HB LYS 19 HB2 LYS 19 2.418 -20.477 -20.477 143 2HB LYS 19 HB1 LYS 19 0.736 -20.938 -20.938 144 1HG LYS 19 HG2 LYS 19 1.872 -22.969 -22.969 145 2HG LYS 19 HG1 LYS 19 1.544 -22.988 -22.988 146 1HD LYS 19 HD2 LYS 19 3.869 -23.684 -23.684 147 2HD LYS 19 HD1 LYS 19 3.815 -22.259 -22.259 148 1HE LYS 19 HE2 LYS 19 4.647 -20.876 -20.876 149 2HE LYS 19 HE1 LYS 19 3.902 -21.802 -21.802 150 1HZ LYS 19 HZ3 LYS 19 5.838 -23.329 -23.329 151 2HZ LYS 19 HZ2 LYS 19 6.515 -21.914 -21.914 152 3HZ LYS 19 HZ1 LYS 19 5.721 -23.024 -23.024 153 H ASP 20 HN ASP 20 -0.919 -20.149 -20.149 154 HA ASP 20 HA ASP 20 -1.622 -22.558 -22.558 155 1HB ASP 20 HB2 ASP 20 -3.024 -21.136 -21.136 156 2HB ASP 20 HB1 ASP 20 -3.440 -20.172 -20.172 157 H TYR 21 HN TYR 21 -1.557 -19.140 -19.140 158 HA TYR 21 HA TYR 21 -2.694 -19.540 -19.540 159 1HB TYR 21 HB2 TYR 21 -0.780 -17.489 -17.489 160 2HB TYR 21 HB1 TYR 21 -1.255 -17.467 -17.467 161 HD1 TYR 21 HD1 TYR 21 -2.736 -17.707 -17.707 162 HD2 TYR 21 HD2 TYR 21 -3.238 -16.391 -16.391 163 HE1 TYR 21 HE1 TYR 21 -4.885 -16.635 -16.635 164 HE2 TYR 21 HE2 TYR 21 -5.386 -15.318 -15.318 165 HH TYR 21 HH TYR 21 -6.872 -15.828 -15.828 166 H VAL 22 HN VAL 22 0.857 -19.254 -19.254 167 HA VAL 22 HA VAL 22 1.487 -20.110 -20.110 168 HB VAL 22 HB VAL 22 3.077 -18.866 -18.866 169 1HG1 VAL 22 HG11 VAL 22 2.585 -20.121 -20.121 170 2HG1 VAL 22 HG13 VAL 22 3.393 -21.532 -21.532 171 3HG1 VAL 22 HG12 VAL 22 4.310 -20.062 -20.062 172 1HG2 VAL 22 HG21 VAL 22 4.019 -21.557 -21.557 173 2HG2 VAL 22 HG23 VAL 22 3.918 -20.060 -20.060 174 3HG2 VAL 22 HG22 VAL 22 5.079 -20.210 -20.210 175 H ALA 23 HN ALA 23 0.357 -21.836 -21.836 176 HA ALA 23 HA ALA 23 1.587 -24.371 -24.371 177 1HB ALA 23 HB3 ALA 23 -0.183 -23.575 -23.575 178 2HB ALA 23 HB2 ALA 23 -1.356 -24.131 -24.131 179 3HB ALA 23 HB1 ALA 23 -0.182 -25.260 -25.260 180 H LYS 24 HN LYS 24 -0.596 -22.516 -22.516 181 HA LYS 24 HA LYS 24 -1.919 -24.430 -24.430 182 1HB LYS 24 HB2 LYS 24 -2.507 -22.078 -22.078 183 2HB LYS 24 HB1 LYS 24 -0.906 -21.646 -21.646 184 1HG LYS 24 HG2 LYS 24 -1.716 -21.804 -21.804 185 2HG LYS 24 HG1 LYS 24 -1.841 -23.542 -23.542 186 1HD LYS 24 HD2 LYS 24 -3.991 -21.568 -21.568 187 2HD LYS 24 HD1 LYS 24 -3.981 -22.477 -22.477 188 1HE LYS 24 HE2 LYS 24 -3.802 -24.592 -24.592 189 2HE LYS 24 HE1 LYS 24 -4.140 -23.588 -23.588 190 1HZ LYS 24 HZ3 LYS 24 -5.912 -23.406 -23.406 191 2HZ LYS 24 HZ2 LYS 24 -6.060 -24.747 -24.747 192 3HZ LYS 24 HZ1 LYS 24 -6.263 -23.174 -23.174 193 H GLY 25 HN GLY 25 0.477 -22.420 -22.420 194 1HA GLY 25 HA2 GLY 25 2.264 -24.666 -24.666 195 2HA GLY 25 HA1 GLY 25 1.328 -24.167 -24.167 196 H GLU 26 HN GLU 26 3.757 -23.169 -23.169 197 HA GLU 26 HA GLU 26 5.138 -21.244 -21.244 198 1HB GLU 26 HB2 GLU 26 6.484 -21.202 -21.202 199 2HB GLU 26 HB1 GLU 26 6.575 -22.634 -22.634 200 1HG GLU 26 HG2 GLU 26 4.887 -23.754 -23.754 201 2HG GLU 26 HG1 GLU 26 4.728 -22.308 -22.308 202 H ASP 27 HN ASP 27 4.103 -19.329 -19.329 203 HA ASP 27 HA ASP 27 3.725 -17.803 -17.803 204 1HB ASP 27 HB2 ASP 27 1.521 -18.170 -18.170 205 2HB ASP 27 HB1 ASP 27 1.474 -17.014 -17.014 206 H VAL 28 HN VAL 28 5.744 -17.568 -17.568 207 HA VAL 28 HA VAL 28 4.974 -15.407 -15.407 208 HB VAL 28 HB VAL 28 7.327 -15.768 -15.768 209 1HG1 VAL 28 HG13 VAL 28 5.327 -16.874 -16.874 210 2HG1 VAL 28 HG12 VAL 28 5.529 -18.211 -18.211 211 3HG1 VAL 28 HG11 VAL 28 6.755 -17.903 -17.903 212 1HG2 VAL 28 HG22 VAL 28 8.126 -16.735 -16.735 213 2HG2 VAL 28 HG21 VAL 28 8.576 -17.669 -17.669 214 3HG2 VAL 28 HG23 VAL 28 7.235 -18.198 -18.198 215 H ASN 29 HN ASN 29 4.695 -14.021 -14.021 216 HA ASN 29 HA ASN 29 6.774 -12.114 -12.114 217 1HB ASN 29 HB2 ASN 29 7.329 -12.538 -12.538 218 2HB ASN 29 HB1 ASN 29 8.111 -13.585 -13.585 219 1HD2 ASN 29 HD21 ASN 29 7.115 -15.773 -15.773 220 2HD2 ASN 29 HD22 ASN 29 6.240 -16.471 -16.471 221 H ARG 30 HN ARG 30 3.887 -12.376 -12.376 222 HA ARG 30 HA ARG 30 2.951 -11.012 -11.012 223 1HB ARG 30 HB2 ARG 30 1.333 -12.257 -12.257 224 2HB ARG 30 HB1 ARG 30 0.702 -11.630 -11.630 225 1HG ARG 30 HG2 ARG 30 2.346 -13.312 -13.312 226 2HG ARG 30 HG1 ARG 30 2.384 -14.089 -14.089 227 1HD ARG 30 HD2 ARG 30 0.103 -13.819 -13.819 228 2HD ARG 30 HD1 ARG 30 0.603 -15.218 -15.218 229 HE ARG 30 HE ARG 30 -0.224 -13.413 -13.413 230 1HH1 ARG 30 HH21 ARG 30 -1.532 -14.711 -14.711 231 2HH1 ARG 30 HH22 ARG 30 -3.175 -14.630 -14.630 232 1HH2 ARG 30 HH11 ARG 30 -2.366 -13.299 -13.299 233 2HH2 ARG 30 HH12 ARG 30 -3.647 -13.830 -13.830 234 H THR 31 HN THR 31 2.720 -8.852 -8.852 235 HA THR 31 HA THR 31 3.132 -7.297 -7.297 236 HB THR 31 HB THR 31 1.440 -5.734 -5.734 237 HG1 THR 31 HG1 THR 31 2.664 -6.596 -6.596 238 1HG2 THR 31 HG22 THR 31 3.741 -5.176 -5.176 239 2HG2 THR 31 HG21 THR 31 4.384 -6.253 -6.253 240 3HG2 THR 31 HG23 THR 31 3.490 -4.807 -4.807 241 H LEU 32 HN LEU 32 1.833 -8.215 -8.215 242 HA LEU 32 HA LEU 32 -0.974 -8.642 -8.642 243 1HB LEU 32 HB2 LEU 32 -1.114 -8.696 -8.696 244 2HB LEU 32 HB1 LEU 32 0.113 -9.764 -9.764 245 HG LEU 32 HG LEU 32 0.977 -8.666 -8.666 246 1HD1 LEU 32 HD13 LEU 32 2.405 -8.926 -8.926 247 2HD1 LEU 32 HD12 LEU 32 2.346 -7.159 -7.159 248 3HD1 LEU 32 HD11 LEU 32 3.035 -7.993 -7.993 249 1HD2 LEU 32 HD23 LEU 32 -0.588 -6.519 -6.519 250 2HD2 LEU 32 HD22 LEU 32 0.671 -6.494 -6.494 251 3HD2 LEU 32 HD21 LEU 32 1.023 -5.926 -5.926 252 H GLU 33 HN GLU 33 0.875 -5.777 -5.777 253 HA GLU 33 HA GLU 33 -1.593 -4.267 -4.267 254 1HB GLU 33 HB2 GLU 33 0.366 -3.610 -3.610 255 2HB GLU 33 HB1 GLU 33 1.316 -3.432 -3.432 256 1HG GLU 33 HG2 GLU 33 0.076 -1.526 -1.526 257 2HG GLU 33 HG1 GLU 33 -1.202 -1.834 -1.834 258 H GLY 34 HN GLY 34 1.073 -3.328 -3.328 259 1HA GLY 34 HA2 GLY 34 -0.377 -3.536 -3.536 260 2HA GLY 34 HA1 GLY 34 -0.503 -1.886 -1.886 261 H GLY 35 HN GLY 35 2.242 -2.480 -2.480 262 1HA GLY 35 HA2 GLY 35 4.030 -2.558 -2.558 263 2HA GLY 35 HA1 GLY 35 3.974 -1.015 -1.015 264 H ARG 36 HN ARG 36 3.420 -3.736 -3.736 265 HA ARG 36 HA ARG 36 6.289 -3.797 -3.797 266 1HB ARG 36 HB2 ARG 36 4.218 -4.031 -4.031 267 2HB ARG 36 HB1 ARG 36 5.805 -3.269 -3.269 268 1HG ARG 36 HG2 ARG 36 4.867 -1.434 -1.434 269 2HG ARG 36 HG1 ARG 36 3.276 -2.156 -2.156 270 1HD ARG 36 HD2 ARG 36 3.262 -1.667 -1.667 271 2HD ARG 36 HD1 ARG 36 5.008 -1.439 -1.439 272 HE ARG 36 HE ARG 36 4.109 0.546 0.546 273 1HH1 ARG 36 HH21 ARG 36 3.431 -0.504 -0.504 274 2HH1 ARG 36 HH22 ARG 36 2.985 1.074 1.074 275 1HH2 ARG 36 HH11 ARG 36 3.534 2.612 2.612 276 2HH2 ARG 36 HH12 ARG 36 3.041 2.833 2.833 277 H LYS 37 HN LYS 37 7.009 -5.829 -5.829 278 HA LYS 37 HA LYS 37 5.182 -8.082 -8.082 279 1HB LYS 37 HB2 LYS 37 7.678 -9.161 -9.161 280 2HB LYS 37 HB1 LYS 37 7.094 -8.811 -8.811 281 1HG LYS 37 HG2 LYS 37 9.230 -7.722 -7.722 282 2HG LYS 37 HG1 LYS 37 7.996 -6.471 -6.471 283 1HD LYS 37 HD2 LYS 37 8.030 -6.785 -6.785 284 2HD LYS 37 HD1 LYS 37 9.581 -7.570 -7.570 285 1HE LYS 37 HE2 LYS 37 8.832 -4.764 -4.764 286 2HE LYS 37 HE1 LYS 37 9.899 -5.182 -5.182 287 1HZ LYS 37 HZ1 LYS 37 11.273 -6.408 -6.408 288 2HZ LYS 37 HZ3 LYS 37 10.343 -5.650 -5.650 289 3HZ LYS 37 HZ2 LYS 37 11.280 -4.714 -4.714 290 HA PRO 38 HA PRO 38 4.487 -9.306 -9.306 291 1HB PRO 38 HB2 PRO 38 5.142 -12.066 -12.066 292 2HB PRO 38 HB1 PRO 38 3.556 -11.327 -11.327 293 1HG PRO 38 HG2 PRO 38 5.388 -12.427 -12.427 294 2HG PRO 38 HG1 PRO 38 3.702 -11.929 -11.929 295 1HD PRO 38 HD2 PRO 38 6.012 -10.546 -10.546 296 2HD PRO 38 HD1 PRO 38 4.338 -9.964 -9.964 297 H LEU 39 HN LEU 39 7.361 -8.500 -8.500 298 HA LEU 39 HA LEU 39 8.684 -10.131 -10.131 299 1HB LEU 39 HB2 LEU 39 9.600 -10.051 -10.051 300 2HB LEU 39 HB1 LEU 39 10.209 -8.476 -8.476 301 HG LEU 39 HG LEU 39 11.940 -9.391 -9.391 302 1HD1 LEU 39 HD11 LEU 39 10.455 -9.961 -9.961 303 2HD1 LEU 39 HD13 LEU 39 10.121 -11.519 -11.519 304 3HD1 LEU 39 HD12 LEU 39 11.753 -11.124 -11.124 305 1HD2 LEU 39 HD23 LEU 39 10.885 -11.960 -11.960 306 2HD2 LEU 39 HD22 LEU 39 12.008 -10.828 -10.828 307 3HD2 LEU 39 HD21 LEU 39 12.506 -11.751 -11.751 308 H HIS 40 HN HIS 40 7.707 -6.979 -6.979 309 HA HIS 40 HA HIS 40 9.436 -5.472 -5.472 310 1HB HIS 40 HB2 HIS 40 8.479 -4.409 -4.409 311 2HB HIS 40 HB1 HIS 40 6.850 -4.698 -4.698 312 HD1 HIS 40 HD1 HIS 40 6.369 -3.534 -3.534 313 HD2 HIS 40 HD2 HIS 40 9.532 -1.981 -1.981 314 HE1 HIS 40 HE1 HIS 40 6.882 -1.253 -1.253 315 H TYR 41 HN TYR 41 6.022 -6.511 -6.511 316 HA TYR 41 HA TYR 41 5.495 -5.345 -5.345 317 1HB TYR 41 HB2 TYR 41 4.148 -7.836 -7.836 318 2HB TYR 41 HB1 TYR 41 3.455 -6.553 -6.553 319 HD1 TYR 41 HD1 TYR 41 4.745 -7.372 -7.372 320 HD2 TYR 41 HD2 TYR 41 2.565 -4.580 -4.580 321 HE1 TYR 41 HE1 TYR 41 4.036 -6.158 -6.158 322 HE2 TYR 41 HE2 TYR 41 1.852 -3.367 -3.367 323 HH TYR 41 HH TYR 41 2.087 -3.179 -3.179 324 H ALA 42 HN ALA 42 6.650 -8.480 -8.480 325 HA ALA 42 HA ALA 42 6.717 -9.740 -9.740 326 1HB ALA 42 HB3 ALA 42 6.891 -10.764 -10.764 327 2HB ALA 42 HB2 ALA 42 8.616 -10.476 -10.476 328 3HB ALA 42 HB1 ALA 42 7.752 -11.532 -11.532 329 H ALA 43 HN ALA 43 9.269 -8.389 -8.389 330 HA ALA 43 HA ALA 43 11.399 -8.619 -8.619 331 1HB ALA 43 HB1 ALA 43 10.898 -6.462 -6.462 332 2HB ALA 43 HB3 ALA 43 12.448 -6.766 -6.766 333 3HB ALA 43 HB2 ALA 43 11.738 -7.988 -7.988 334 H ASP 44 HN ASP 44 9.498 -5.663 -5.663 335 HA ASP 44 HA ASP 44 10.510 -4.127 -4.127 336 1HB ASP 44 HB2 ASP 44 7.791 -4.037 -4.037 337 2HB ASP 44 HB1 ASP 44 8.408 -2.791 -2.791 338 H CYS 45 HN CYS 45 7.823 -6.461 -6.461 339 HA CYS 45 HA CYS 45 8.005 -6.498 -6.498 340 1HB CYS 45 HB2 CYS 45 5.435 -5.655 -5.655 341 2HB CYS 45 HB1 CYS 45 5.638 -5.923 -5.923 342 HG CYS 45 HG CYS 45 6.029 -3.417 -3.417 343 H GLY 46 HN GLY 46 8.628 -8.650 -8.650 344 1HA GLY 46 HA2 GLY 46 6.147 -10.304 -10.304 345 2HA GLY 46 HA1 GLY 46 7.666 -10.644 -10.644 346 H GLN 47 HN GLN 47 7.621 -9.643 -9.643 347 HA GLN 47 HA GLN 47 8.483 -10.805 -10.805 348 1HB GLN 47 HB2 GLN 47 6.741 -12.847 -12.847 349 2HB GLN 47 HB1 GLN 47 7.629 -13.264 -13.264 350 1HG GLN 47 HG2 GLN 47 5.196 -12.356 -12.356 351 2HG GLN 47 HG1 GLN 47 6.431 -11.738 -11.738 352 1HE2 GLN 47 HE21 GLN 47 4.672 -10.956 -10.956 353 2HE2 GLN 47 HE22 GLN 47 4.912 -9.279 -9.279 354 H LEU 48 HN LEU 48 9.693 -10.889 -10.889 355 HA LEU 48 HA LEU 48 11.639 -11.640 -11.640 356 1HB LEU 48 HB2 LEU 48 12.156 -12.415 -12.415 357 2HB LEU 48 HB1 LEU 48 13.337 -12.651 -12.651 358 HG LEU 48 HG LEU 48 14.001 -10.523 -10.523 359 1HD1 LEU 48 HD13 LEU 48 11.162 -9.752 -9.752 360 2HD1 LEU 48 HD12 LEU 48 12.522 -8.642 -8.642 361 3HD1 LEU 48 HD11 LEU 48 12.505 -9.946 -9.946 362 1HD2 LEU 48 HD22 LEU 48 11.622 -10.313 -10.313 363 2HD2 LEU 48 HD21 LEU 48 13.314 -10.544 -10.544 364 3HD2 LEU 48 HD23 LEU 48 12.780 -9.001 -9.001 365 H GLU 49 HN GLU 49 9.377 -13.733 -13.733 366 HA GLU 49 HA GLU 49 10.843 -16.155 -16.155 367 1HB GLU 49 HB2 GLU 49 8.496 -17.206 -17.206 368 2HB GLU 49 HB1 GLU 49 9.536 -16.694 -16.694 369 1HG GLU 49 HG2 GLU 49 8.352 -14.591 -14.591 370 2HG GLU 49 HG1 GLU 49 7.395 -14.953 -14.953 371 H ILE 50 HN ILE 50 8.178 -14.070 -14.070 372 HA ILE 50 HA ILE 50 7.147 -15.588 -15.588 373 HB ILE 50 HB ILE 50 7.197 -12.593 -12.593 374 1HG1 ILE 50 HG12 ILE 50 5.921 -14.710 -14.710 375 2HG1 ILE 50 HG11 ILE 50 5.923 -12.982 -12.982 376 1HG2 ILE 50 HG23 ILE 50 6.528 -13.532 -13.532 377 2HG2 ILE 50 HG22 ILE 50 5.155 -14.266 -14.266 378 3HG2 ILE 50 HG21 ILE 50 5.330 -12.514 -12.514 379 1HD1 ILE 50 HD11 ILE 50 4.086 -14.262 -14.262 380 2HD1 ILE 50 HD13 ILE 50 3.633 -14.041 -14.041 381 3HD1 ILE 50 HD12 ILE 50 3.982 -12.644 -12.644 382 H LEU 51 HN LEU 51 9.399 -12.813 -12.813 383 HA LEU 51 HA LEU 51 9.757 -12.744 -12.744 384 1HB LEU 51 HB2 LEU 51 12.351 -12.344 -12.344 385 2HB LEU 51 HB1 LEU 51 11.126 -11.099 -11.099 386 HG LEU 51 HG LEU 51 12.355 -10.993 -10.993 387 1HD1 LEU 51 HD11 LEU 51 9.568 -11.142 -11.142 388 2HD1 LEU 51 HD13 LEU 51 10.010 -12.114 -12.114 389 3HD1 LEU 51 HD12 LEU 51 10.534 -10.441 -10.441 390 1HD2 LEU 51 HD22 LEU 51 12.840 -13.546 -13.546 391 2HD2 LEU 51 HD21 LEU 51 12.755 -12.766 -12.766 392 3HD2 LEU 51 HD23 LEU 51 11.377 -13.693 -13.693 393 H GLU 52 HN GLU 52 11.665 -14.844 -14.844 394 HA GLU 52 HA GLU 52 13.163 -16.155 -16.155 395 1HB GLU 52 HB2 GLU 52 12.071 -17.697 -17.697 396 2HB GLU 52 HB1 GLU 52 13.634 -17.854 -17.854 397 1HG GLU 52 HG2 GLU 52 14.334 -15.690 -15.690 398 2HG GLU 52 HG1 GLU 52 12.754 -15.505 -15.505 399 H PHE 53 HN PHE 53 9.888 -16.837 -16.837 400 HA PHE 53 HA PHE 53 9.495 -19.340 -19.340 401 1HB PHE 53 HB2 PHE 53 7.880 -18.403 -18.403 402 2HB PHE 53 HB1 PHE 53 7.510 -17.101 -17.101 403 HD1 PHE 53 HD1 PHE 53 7.809 -20.842 -20.842 404 HD2 PHE 53 HD2 PHE 53 5.573 -17.364 -17.364 405 HE1 PHE 53 HE1 PHE 53 6.161 -22.288 -22.288 406 HE2 PHE 53 HE2 PHE 53 3.921 -18.813 -18.813 407 HZ PHE 53 HZ PHE 53 4.218 -21.273 -21.273 408 H LEU 54 HN LEU 54 7.731 -16.627 -16.627 409 HA LEU 54 HA LEU 54 7.461 -17.919 -17.919 410 1HB LEU 54 HB2 LEU 54 6.858 -15.785 -15.785 411 2HB LEU 54 HB1 LEU 54 6.121 -15.956 -15.956 412 HG LEU 54 HG LEU 54 6.865 -13.805 -13.805 413 1HD1 LEU 54 HD12 LEU 54 9.427 -15.283 -15.283 414 2HD1 LEU 54 HD11 LEU 54 9.061 -13.645 -13.645 415 3HD1 LEU 54 HD13 LEU 54 8.107 -14.970 -14.970 416 1HD2 LEU 54 HD23 LEU 54 7.683 -13.693 -13.693 417 2HD2 LEU 54 HD22 LEU 54 8.776 -12.858 -12.858 418 3HD2 LEU 54 HD21 LEU 54 9.194 -14.458 -14.458 419 H LEU 55 HN LEU 55 10.353 -17.002 -17.002 420 HA LEU 55 HA LEU 55 11.633 -16.347 -16.347 421 1HB LEU 55 HB2 LEU 55 12.220 -15.410 -15.410 422 2HB LEU 55 HB1 LEU 55 13.185 -16.878 -16.878 423 HG LEU 55 HG LEU 55 13.370 -14.922 -14.922 424 1HD1 LEU 55 HD13 LEU 55 14.684 -14.954 -14.954 425 2HD1 LEU 55 HD12 LEU 55 15.650 -14.471 -14.471 426 3HD1 LEU 55 HD11 LEU 55 14.182 -13.582 -13.582 427 1HD2 LEU 55 HD21 LEU 55 14.853 -17.390 -17.390 428 2HD2 LEU 55 HD23 LEU 55 14.336 -16.914 -16.914 429 3HD2 LEU 55 HD22 LEU 55 15.728 -16.133 -16.133 430 H LEU 56 HN LEU 56 11.313 -18.994 -18.994 431 HA LEU 56 HA LEU 56 13.306 -20.766 -20.766 432 1HB LEU 56 HB2 LEU 56 10.480 -21.529 -21.529 433 2HB LEU 56 HB1 LEU 56 11.875 -22.599 -22.599 434 HG LEU 56 HG LEU 56 11.613 -20.134 -20.134 435 1HD1 LEU 56 HD13 LEU 56 11.246 -23.083 -23.083 436 2HD1 LEU 56 HD12 LEU 56 11.401 -21.844 -21.844 437 3HD1 LEU 56 HD11 LEU 56 10.031 -21.814 -21.814 438 1HD2 LEU 56 HD22 LEU 56 13.709 -22.284 -22.284 439 2HD2 LEU 56 HD21 LEU 56 13.927 -20.534 -20.534 440 3HD2 LEU 56 HD23 LEU 56 13.553 -21.378 -21.378 441 H LYS 57 HN LYS 57 9.942 -20.496 -20.496 442 HA LYS 57 HA LYS 57 10.162 -22.322 -22.322 443 1HB LYS 57 HB2 LYS 57 8.275 -20.076 -20.076 444 2HB LYS 57 HB1 LYS 57 8.163 -20.848 -20.848 445 1HG LYS 57 HG2 LYS 57 6.643 -21.960 -21.960 446 2HG LYS 57 HG1 LYS 57 7.950 -23.063 -23.063 447 1HD LYS 57 HD2 LYS 57 9.094 -22.633 -22.633 448 2HD LYS 57 HD1 LYS 57 7.982 -21.323 -21.323 449 1HE LYS 57 HE2 LYS 57 7.220 -24.243 -24.243 450 2HE LYS 57 HE1 LYS 57 7.399 -23.388 -23.388 451 1HZ LYS 57 HZ1 LYS 57 5.659 -21.848 -21.848 452 2HZ LYS 57 HZ3 LYS 57 5.454 -22.756 -22.756 453 3HZ LYS 57 HZ2 LYS 57 5.097 -23.448 -23.448 454 H GLY 58 HN GLY 58 9.109 -19.363 -19.363 455 1HA GLY 58 HA2 GLY 58 11.254 -19.291 -19.291 456 2HA GLY 58 HA1 GLY 58 10.049 -18.018 -18.018 457 H ALA 59 HN ALA 59 11.271 -16.156 -16.156 458 HA ALA 59 HA ALA 59 12.587 -15.730 -15.730 459 1HB ALA 59 HB1 ALA 59 14.270 -17.290 -17.290 460 2HB ALA 59 HB3 ALA 59 14.604 -15.936 -15.936 461 3HB ALA 59 HB2 ALA 59 14.899 -15.783 -15.783 462 H ASP 60 HN ASP 60 11.207 -13.881 -13.881 463 HA ASP 60 HA ASP 60 11.758 -11.976 -11.976 464 1HB ASP 60 HB2 ASP 60 9.568 -12.129 -12.129 465 2HB ASP 60 HB1 ASP 60 10.410 -11.447 -11.447 466 H ILE 61 HN ILE 61 13.539 -13.109 -13.109 467 HA ILE 61 HA ILE 61 14.646 -11.055 -11.055 468 HB ILE 61 HB ILE 61 15.175 -13.537 -13.537 469 1HG1 ILE 61 HG12 ILE 61 17.367 -11.458 -11.458 470 2HG1 ILE 61 HG11 ILE 61 16.581 -12.253 -12.253 471 1HG2 ILE 61 HG23 ILE 61 15.583 -13.602 -13.602 472 2HG2 ILE 61 HG22 ILE 61 17.149 -12.857 -12.857 473 3HG2 ILE 61 HG21 ILE 61 16.775 -14.447 -14.447 474 1HD1 ILE 61 HD12 ILE 61 17.566 -14.444 -14.444 475 2HD1 ILE 61 HD11 ILE 61 18.702 -13.317 -13.317 476 3HD1 ILE 61 HD13 ILE 61 18.582 -13.425 -13.425 477 H ASN 62 HN ASN 62 14.758 -11.483 -11.483 478 HA ASN 62 HA ASN 62 16.520 -9.121 -9.121 479 1HB ASN 62 HB2 ASN 62 17.904 -10.240 -10.240 480 2HB ASN 62 HB1 ASN 62 18.017 -11.059 -11.059 481 1HD2 ASN 62 HD21 ASN 62 15.520 -12.475 -12.475 482 2HD2 ASN 62 HD22 ASN 62 15.591 -13.631 -13.631 483 H ALA 63 HN ALA 63 14.258 -11.344 -11.344 484 HA ALA 63 HA ALA 63 13.747 -10.873 -10.873 485 1HB ALA 63 HB2 ALA 63 12.132 -11.956 -11.956 486 2HB ALA 63 HB1 ALA 63 11.642 -10.396 -10.396 487 3HB ALA 63 HB3 ALA 63 11.326 -10.793 -10.793 488 HA PRO 64 HA PRO 64 11.637 -6.328 -6.328 489 1HB PRO 64 HB2 PRO 64 14.417 -5.700 -5.700 490 2HB PRO 64 HB1 PRO 64 12.870 -5.023 -5.023 491 1HG PRO 64 HG2 PRO 64 14.284 -7.145 -7.145 492 2HG PRO 64 HG1 PRO 64 12.603 -6.687 -6.687 493 1HD PRO 64 HD2 PRO 64 13.432 -9.128 -9.128 494 2HD PRO 64 HD1 PRO 64 11.788 -8.492 -8.492 495 H ASP 65 HN ASP 65 11.533 -5.054 -5.054 496 HA ASP 65 HA ASP 65 13.824 -4.768 -4.768 497 1HB ASP 65 HB2 ASP 65 10.980 -5.617 -5.617 498 2HB ASP 65 HB1 ASP 65 11.979 -4.855 -4.855 499 H LYS 66 HN LYS 66 10.448 -3.693 -3.693 500 HA LYS 66 HA LYS 66 11.080 -0.984 -0.984 501 1HB LYS 66 HB2 LYS 66 8.890 -2.272 -2.272 502 2HB LYS 66 HB1 LYS 66 8.525 -1.904 -1.904 503 1HG LYS 66 HG2 LYS 66 7.596 -0.070 -0.070 504 2HG LYS 66 HG1 LYS 66 9.210 0.546 0.546 505 1HD LYS 66 HD2 LYS 66 9.874 0.000 0.000 506 2HD LYS 66 HD1 LYS 66 8.311 -0.757 -0.757 507 1HE LYS 66 HE2 LYS 66 7.171 1.288 1.288 508 2HE LYS 66 HE1 LYS 66 8.438 2.110 2.110 509 1HZ LYS 66 HZ3 LYS 66 9.431 1.051 1.051 510 2HZ LYS 66 HZ2 LYS 66 8.121 2.097 2.097 511 3HZ LYS 66 HZ1 LYS 66 9.481 2.644 2.644 512 H HIS 67 HN HIS 67 10.931 -2.746 -2.746 513 HA HIS 67 HA HIS 67 10.561 -0.430 -0.430 514 1HB HIS 67 HB2 HIS 67 11.757 -3.052 -3.052 515 2HB HIS 67 HB1 HIS 67 10.699 -1.975 -1.975 516 HD1 HIS 67 HD1 HIS 67 10.236 -5.111 -5.111 517 HD2 HIS 67 HD2 HIS 67 8.348 -1.815 -1.815 518 HE1 HIS 67 HE1 HIS 67 8.057 -5.959 -5.959 519 H HIS 68 HN HIS 68 12.967 -1.392 -1.392 520 HA HIS 68 HA HIS 68 15.327 -1.241 -1.241 521 1HB HIS 68 HB2 HIS 68 16.019 1.072 1.072 522 2HB HIS 68 HB1 HIS 68 14.488 1.028 1.028 523 HD1 HIS 68 HD1 HIS 68 15.754 1.429 1.429 524 HD2 HIS 68 HD2 HIS 68 12.467 2.468 2.468 525 HE1 HIS 68 HE1 HIS 68 14.296 2.928 2.928 526 H ILE 69 HN ILE 69 14.363 -2.518 -2.518 527 HA ILE 69 HA ILE 69 16.788 -1.968 -1.968 528 HB ILE 69 HB ILE 69 14.481 -0.538 -0.538 529 1HG1 ILE 69 HG12 ILE 69 16.835 0.086 0.086 530 2HG1 ILE 69 HG11 ILE 69 15.842 0.228 0.228 531 1HG2 ILE 69 HG23 ILE 69 13.613 -2.666 -2.666 532 2HG2 ILE 69 HG22 ILE 69 15.003 -2.685 -2.685 533 3HG2 ILE 69 HG21 ILE 69 13.828 -1.382 -1.382 534 1HD1 ILE 69 HD11 ILE 69 16.651 -2.204 -2.204 535 2HD1 ILE 69 HD13 ILE 69 17.924 -1.840 -1.840 536 3HD1 ILE 69 HD12 ILE 69 17.745 -0.866 -0.866 537 H THR 70 HN THR 70 17.074 -3.330 -3.330 538 HA THR 70 HA THR 70 15.846 -6.004 -6.004 539 HB THR 70 HB THR 70 17.992 -6.810 -6.810 540 HG1 THR 70 HG1 THR 70 17.758 -4.925 -4.925 541 1HG2 THR 70 HG21 THR 70 18.060 -5.022 -5.022 542 2HG2 THR 70 HG23 THR 70 18.832 -4.014 -4.014 543 3HG2 THR 70 HG22 THR 70 19.584 -5.531 -5.531 544 HA PRO 71 HA PRO 71 13.646 -5.053 -5.053 545 1HB PRO 71 HB2 PRO 71 13.534 -7.873 -7.873 546 2HB PRO 71 HB1 PRO 71 12.231 -6.796 -6.796 547 1HG PRO 71 HG2 PRO 71 13.267 -8.868 -8.868 548 2HG PRO 71 HG1 PRO 71 12.381 -7.472 -7.472 549 1HD PRO 71 HD2 PRO 71 15.297 -8.030 -8.030 550 2HD PRO 71 HD1 PRO 71 14.301 -7.012 -7.012 551 H LEU 72 HN LEU 72 16.654 -6.905 -6.905 552 HA LEU 72 HA LEU 72 16.798 -7.158 -7.158 553 1HB LEU 72 HB2 LEU 72 19.334 -6.283 -6.283 554 2HB LEU 72 HB1 LEU 72 19.023 -7.652 -7.652 555 HG LEU 72 HG LEU 72 19.598 -8.557 -8.557 556 1HD1 LEU 72 HD11 LEU 72 16.635 -8.612 -8.612 557 2HD1 LEU 72 HD13 LEU 72 17.360 -9.522 -9.522 558 3HD1 LEU 72 HD12 LEU 72 17.832 -9.843 -9.843 559 1HD2 LEU 72 HD23 LEU 72 18.316 -6.192 -6.192 560 2HD2 LEU 72 HD22 LEU 72 19.360 -7.327 -7.327 561 3HD2 LEU 72 HD21 LEU 72 17.623 -7.606 -7.606 562 H LEU 73 HN LEU 73 17.432 -4.339 -4.339 563 HA LEU 73 HA LEU 73 18.321 -2.700 -2.700 564 1HB LEU 73 HB2 LEU 73 17.154 -1.821 -1.821 565 2HB LEU 73 HB1 LEU 73 18.029 -0.793 -0.793 566 HG LEU 73 HG LEU 73 19.886 -2.716 -2.716 567 1HD1 LEU 73 HD12 LEU 73 18.002 -3.510 -3.510 568 2HD1 LEU 73 HD11 LEU 73 19.295 -2.759 -2.759 569 3HD1 LEU 73 HD13 LEU 73 19.651 -4.095 -4.095 570 1HD2 LEU 73 HD22 LEU 73 19.308 -0.314 -0.314 571 2HD2 LEU 73 HD21 LEU 73 20.552 -0.522 -0.522 572 3HD2 LEU 73 HD23 LEU 73 20.720 -1.316 -1.316 573 H SER 74 HN SER 74 15.251 -3.722 -3.722 574 HA SER 74 HA SER 74 13.586 -1.655 -1.655 575 1HB SER 74 HB2 SER 74 12.875 -3.621 -3.621 576 2HB SER 74 HB1 SER 74 12.921 -4.603 -4.603 577 HG SER 74 HG SER 74 11.509 -2.790 -2.790 578 H ALA 75 HN ALA 75 14.750 -4.600 -4.600 579 HA ALA 75 HA ALA 75 13.496 -3.965 -3.965 580 1HB ALA 75 HB2 ALA 75 15.757 -5.826 -5.826 581 2HB ALA 75 HB1 ALA 75 15.190 -5.662 -5.662 582 3HB ALA 75 HB3 ALA 75 14.097 -6.255 -6.255 583 H VAL 76 HN VAL 76 16.619 -3.286 -3.286 584 HA VAL 76 HA VAL 76 18.151 -2.439 -2.439 585 HB VAL 76 HB VAL 76 17.818 -1.278 -1.278 586 1HG1 VAL 76 HG11 VAL 76 19.500 -0.307 -0.307 587 2HG1 VAL 76 HG13 VAL 76 20.123 -0.201 -0.201 588 3HG1 VAL 76 HG12 VAL 76 18.624 0.616 0.616 589 1HG2 VAL 76 HG22 VAL 76 19.933 -2.961 -2.961 590 2HG2 VAL 76 HG21 VAL 76 18.823 -3.486 -3.486 591 3HG2 VAL 76 HG23 VAL 76 20.082 -2.323 -2.323 592 H TYR 77 HN TYR 77 16.156 -0.079 -0.079 593 HA TYR 77 HA TYR 77 16.215 1.844 1.844 594 1HB TYR 77 HB2 TYR 77 14.003 1.946 1.946 595 2HB TYR 77 HB1 TYR 77 15.065 3.234 3.234 596 HD1 TYR 77 HD2 TYR 77 17.305 3.535 3.535 597 HD2 TYR 77 HD1 TYR 77 14.636 0.486 0.486 598 HE1 TYR 77 HE2 TYR 77 18.688 3.274 3.274 599 HE2 TYR 77 HE1 TYR 77 16.021 0.226 0.226 600 HH TYR 77 HH TYR 77 17.625 1.450 1.450 601 H GLU 78 HN GLU 78 15.361 -0.670 -0.670 602 HA GLU 78 HA GLU 78 12.550 -0.011 -0.011 603 1HB GLU 78 HB2 GLU 78 12.915 -2.043 -2.043 604 2HB GLU 78 HB1 GLU 78 13.528 -2.854 -2.854 605 1HG GLU 78 HG2 GLU 78 11.253 -3.383 -3.383 606 2HG GLU 78 HG1 GLU 78 11.334 -1.942 -1.942 607 H GLY 79 HN GLY 79 15.663 -1.417 -1.417 608 1HA GLY 79 HA2 GLY 79 16.587 -1.262 -1.262 609 2HA GLY 79 HA1 GLY 79 14.967 -0.939 -0.939 610 H HIS 80 HN HIS 80 14.474 -3.282 -3.282 611 HA HIS 80 HA HIS 80 14.253 -5.387 -5.387 612 1HB HIS 80 HB2 HIS 80 13.510 -5.016 -5.016 613 2HB HIS 80 HB1 HIS 80 13.743 -6.670 -6.670 614 HD1 HIS 80 HD1 HIS 80 11.656 -7.698 -7.698 615 HD2 HIS 80 HD2 HIS 80 11.669 -3.557 -3.557 616 HE1 HIS 80 HE1 HIS 80 9.413 -7.087 -7.087 617 H VAL 81 HN VAL 81 15.866 -5.106 -5.106 618 HA VAL 81 HA VAL 81 17.668 -6.360 -6.360 619 HB VAL 81 HB VAL 81 19.733 -5.723 -5.723 620 1HG1 VAL 81 HG13 VAL 81 18.101 -4.356 -4.356 621 2HG1 VAL 81 HG12 VAL 81 18.780 -3.180 -3.180 622 3HG1 VAL 81 HG11 VAL 81 19.844 -4.272 -4.272 623 1HG2 VAL 81 HG22 VAL 81 18.305 -5.169 -5.169 624 2HG2 VAL 81 HG21 VAL 81 19.275 -3.806 -3.806 625 3HG2 VAL 81 HG23 VAL 81 17.560 -3.874 -3.874 626 H SER 82 HN SER 82 16.021 -7.757 -7.757 627 HA SER 82 HA SER 82 18.031 -9.682 -9.682 628 1HB SER 82 HB2 SER 82 15.104 -9.223 -9.223 629 2HB SER 82 HB1 SER 82 15.626 -10.904 -10.904 630 HG SER 82 HG SER 82 16.842 -10.487 -10.487 631 H CYS 83 HN CYS 83 16.043 -8.960 -8.960 632 HA CYS 83 HA CYS 83 15.986 -11.635 -11.635 633 1HB CYS 83 HB2 CYS 83 15.223 -9.922 -9.922 634 2HB CYS 83 HB1 CYS 83 14.114 -10.537 -10.537 635 HG CYS 83 HG CYS 83 13.882 -7.982 -7.982 636 H VAL 84 HN VAL 84 17.361 -8.445 -8.445 637 HA VAL 84 HA VAL 84 18.917 -9.065 -9.065 638 HB VAL 84 HB VAL 84 20.610 -7.472 -7.472 639 1HG1 VAL 84 HG11 VAL 84 17.744 -6.795 -6.795 640 2HG1 VAL 84 HG13 VAL 84 19.036 -5.601 -5.601 641 3HG1 VAL 84 HG12 VAL 84 18.641 -6.390 -6.390 642 1HG2 VAL 84 HG23 VAL 84 19.306 -8.073 -8.073 643 2HG2 VAL 84 HG22 VAL 84 21.016 -8.085 -8.085 644 3HG2 VAL 84 HG21 VAL 84 20.157 -6.555 -6.555 645 H LYS 85 HN LYS 85 19.554 -9.922 -9.922 646 HA LYS 85 HA LYS 85 22.098 -11.108 -11.108 647 1HB LYS 85 HB2 LYS 85 19.805 -11.633 -11.633 648 2HB LYS 85 HB1 LYS 85 21.357 -12.426 -12.426 649 1HG LYS 85 HG2 LYS 85 21.913 -9.656 -9.656 650 2HG LYS 85 HG1 LYS 85 20.615 -9.769 -9.769 651 1HD LYS 85 HD2 LYS 85 22.619 -9.913 -9.913 652 2HD LYS 85 HD1 LYS 85 22.041 -11.575 -11.575 653 1HE LYS 85 HE2 LYS 85 23.590 -12.042 -12.042 654 2HE LYS 85 HE1 LYS 85 24.084 -10.350 -10.350 655 1HZ LYS 85 HZ3 LYS 85 24.885 -10.572 -10.572 656 2HZ LYS 85 HZ2 LYS 85 24.484 -12.224 -12.224 657 3HZ LYS 85 HZ1 LYS 85 25.686 -11.621 -11.621 658 H LEU 86 HN LEU 86 19.187 -13.067 -13.067 659 HA LEU 86 HA LEU 86 20.300 -15.401 -15.401 660 1HB LEU 86 HB2 LEU 86 18.558 -16.339 -16.339 661 2HB LEU 86 HB1 LEU 86 18.066 -14.729 -14.729 662 HG LEU 86 HG LEU 86 16.172 -15.736 -15.736 663 1HD1 LEU 86 HD11 LEU 86 17.269 -13.417 -13.417 664 2HD1 LEU 86 HD13 LEU 86 16.731 -14.355 -14.355 665 3HD1 LEU 86 HD12 LEU 86 15.597 -13.942 -13.942 666 1HD2 LEU 86 HD22 LEU 86 18.087 -17.111 -17.111 667 2HD2 LEU 86 HD21 LEU 86 16.369 -17.443 -17.443 668 3HD2 LEU 86 HD23 LEU 86 16.918 -16.329 -16.329 669 H LEU 87 HN LEU 87 19.427 -12.629 -12.629 670 HA LEU 87 HA LEU 87 18.074 -13.799 -13.799 671 1HB LEU 87 HB2 LEU 87 18.714 -11.167 -11.167 672 2HB LEU 87 HB1 LEU 87 19.282 -11.321 -11.321 673 HG LEU 87 HG LEU 87 16.509 -12.123 -12.123 674 1HD1 LEU 87 HD12 LEU 87 17.627 -9.480 -9.480 675 2HD1 LEU 87 HD11 LEU 87 16.016 -9.920 -9.920 676 3HD1 LEU 87 HD13 LEU 87 16.350 -9.833 -9.833 677 1HD2 LEU 87 HD23 LEU 87 17.993 -12.042 -12.042 678 2HD2 LEU 87 HD22 LEU 87 16.777 -13.185 -13.185 679 3HD2 LEU 87 HD21 LEU 87 16.288 -11.599 -11.599 680 H LEU 88 HN LEU 88 21.200 -12.004 -12.004 681 HA LEU 88 HA LEU 88 21.988 -13.175 -13.175 682 1HB LEU 88 HB2 LEU 88 24.211 -12.445 -12.445 683 2HB LEU 88 HB1 LEU 88 23.188 -11.247 -11.247 684 HG LEU 88 HG LEU 88 24.983 -11.659 -11.659 685 1HD1 LEU 88 HD12 LEU 88 22.565 -11.747 -11.747 686 2HD1 LEU 88 HD11 LEU 88 22.846 -13.473 -13.473 687 3HD1 LEU 88 HD13 LEU 88 23.850 -12.308 -12.308 688 1HD2 LEU 88 HD23 LEU 88 25.215 -14.119 -14.119 689 2HD2 LEU 88 HD22 LEU 88 26.069 -13.643 -13.643 690 3HD2 LEU 88 HD21 LEU 88 24.571 -14.561 -14.561 691 H SER 89 HN SER 89 21.657 -14.668 -14.668 692 HA SER 89 HA SER 89 23.612 -16.720 -16.720 693 1HB SER 89 HB2 SER 89 21.906 -16.256 -16.256 694 2HB SER 89 HB1 SER 89 20.762 -17.176 -17.176 695 HG SER 89 HG SER 89 21.681 -18.893 -18.893 696 H LYS 90 HN LYS 90 21.051 -15.937 -15.937 697 HA LYS 90 HA LYS 90 21.052 -18.650 -18.650 698 1HB LYS 90 HB2 LYS 90 19.023 -16.409 -16.409 699 2HB LYS 90 HB1 LYS 90 18.899 -18.017 -18.017 700 1HG LYS 90 HG2 LYS 90 19.107 -18.876 -18.876 701 2HG LYS 90 HG1 LYS 90 18.738 -17.224 -17.224 702 1HD LYS 90 HD2 LYS 90 16.993 -18.738 -18.738 703 2HD LYS 90 HD1 LYS 90 16.752 -18.859 -18.859 704 1HE LYS 90 HE2 LYS 90 16.643 -16.340 -16.340 705 2HE LYS 90 HE1 LYS 90 15.303 -17.114 -17.114 706 1HZ LYS 90 HZ2 LYS 90 16.972 -16.789 -16.789 707 2HZ LYS 90 HZ1 LYS 90 17.467 -15.477 -15.477 708 3HZ LYS 90 HZ3 LYS 90 15.852 -15.597 -15.597 709 H GLY 91 HN GLY 91 21.729 -15.296 -15.296 710 1HA GLY 91 HA2 GLY 91 23.520 -15.249 -15.249 711 2HA GLY 91 HA1 GLY 91 22.022 -15.425 -15.425 712 H ALA 92 HN ALA 92 20.497 -13.718 -13.718 713 HA ALA 92 HA ALA 92 20.030 -11.408 -11.408 714 1HB ALA 92 HB1 ALA 92 20.217 -12.262 -12.262 715 2HB ALA 92 HB3 ALA 92 20.605 -10.549 -10.549 716 3HB ALA 92 HB2 ALA 92 19.063 -11.157 -11.157 717 H ASP 93 HN ASP 93 23.184 -12.239 -12.239 718 HA ASP 93 HA ASP 93 25.217 -10.985 -10.985 719 1HB ASP 93 HB2 ASP 93 25.081 -9.031 -9.031 720 2HB ASP 93 HB1 ASP 93 24.517 -10.566 -10.566 721 H LYS 94 HN LYS 94 23.809 -7.951 -7.951 722 HA LYS 94 HA LYS 94 23.354 -7.250 -7.250 723 1HB LYS 94 HB2 LYS 94 25.178 -5.342 -5.342 724 2HB LYS 94 HB1 LYS 94 25.613 -6.907 -6.907 725 1HG LYS 94 HG2 LYS 94 26.698 -7.601 -7.601 726 2HG LYS 94 HG1 LYS 94 25.663 -6.649 -6.649 727 1HD LYS 94 HD2 LYS 94 27.751 -5.475 -5.475 728 2HD LYS 94 HD1 LYS 94 27.999 -5.768 -5.768 729 1HE LYS 94 HE2 LYS 94 25.643 -4.372 -4.372 730 2HE LYS 94 HE1 LYS 94 26.452 -3.631 -3.631 731 1HZ LYS 94 HZ1 LYS 94 27.922 -4.073 -4.073 732 2HZ LYS 94 HZ3 LYS 94 26.889 -2.736 -2.736 733 3HZ LYS 94 HZ2 LYS 94 28.194 -2.919 -2.919 734 H THR 95 HN THR 95 24.198 -5.910 -5.910 735 HA THR 95 HA THR 95 21.580 -4.548 -4.548 736 HB THR 95 HB THR 95 22.527 -2.405 -2.405 737 HG1 THR 95 HG1 THR 95 24.493 -2.320 -2.320 738 1HG2 THR 95 HG23 THR 95 22.266 -3.096 -3.096 739 2HG2 THR 95 HG22 THR 95 24.027 -3.156 -3.156 740 3HG2 THR 95 HG21 THR 95 23.195 -1.648 -1.648 741 H VAL 96 HN VAL 96 21.676 -6.575 -6.575 742 HA VAL 96 HA VAL 96 23.249 -6.467 -6.467 743 HB VAL 96 HB VAL 96 21.288 -8.235 -8.235 744 1HG1 VAL 96 HG11 VAL 96 19.867 -7.500 -7.500 745 2HG1 VAL 96 HG13 VAL 96 21.138 -8.028 -8.028 746 3HG1 VAL 96 HG12 VAL 96 20.307 -9.202 -9.202 747 1HG2 VAL 96 HG21 VAL 96 23.769 -8.591 -8.591 748 2HG2 VAL 96 HG23 VAL 96 22.657 -9.925 -9.925 749 3HG2 VAL 96 HG22 VAL 96 23.176 -8.891 -8.891 750 H LYS 97 HN LYS 97 21.070 -4.301 -4.301 751 HA LYS 97 HA LYS 97 20.564 -3.434 -3.434 752 1HB LYS 97 HB2 LYS 97 18.637 -5.183 -5.183 753 2HB LYS 97 HB1 LYS 97 17.902 -3.586 -3.586 754 1HG LYS 97 HG2 LYS 97 19.411 -4.849 -4.849 755 2HG LYS 97 HG1 LYS 97 17.693 -5.141 -5.141 756 1HD LYS 97 HD2 LYS 97 17.154 -2.835 -2.835 757 2HD LYS 97 HD1 LYS 97 18.844 -2.350 -2.350 758 1HE LYS 97 HE2 LYS 97 17.736 -2.483 -2.483 759 2HE LYS 97 HE1 LYS 97 19.372 -3.102 -3.102 760 1HZ LYS 97 HZ3 LYS 97 18.435 -5.317 -5.317 761 2HZ LYS 97 HZ2 LYS 97 16.873 -4.706 -4.706 762 3HZ LYS 97 HZ1 LYS 97 18.025 -4.689 -4.689 763 H GLY 98 HN GLY 98 21.049 -2.619 -2.619 764 1HA GLY 98 HA2 GLY 98 19.255 -0.331 -0.331 765 2HA GLY 98 HA1 GLY 98 20.669 -0.618 -0.618 766 HA PRO 99 HA PRO 99 21.318 2.850 2.850 767 1HB PRO 99 HB2 PRO 99 22.429 4.259 4.259 768 2HB PRO 99 HB1 PRO 99 21.162 4.784 4.784 769 1HG PRO 99 HG2 PRO 99 20.820 3.837 3.837 770 2HG PRO 99 HG1 PRO 99 19.550 4.268 4.268 771 1HD PRO 99 HD2 PRO 99 20.215 1.632 1.632 772 2HD PRO 99 HD1 PRO 99 19.024 2.057 2.057 773 H ASP 100 HN ASP 100 23.491 2.845 2.845 774 HA ASP 100 HA ASP 100 25.472 1.200 1.200 775 1HB ASP 100 HB2 ASP 100 25.759 3.493 3.493 776 2HB ASP 100 HB1 ASP 100 26.097 4.100 4.100 777 H GLY 101 HN GLY 101 27.092 3.313 3.313 778 1HA GLY 101 HA2 GLY 101 27.574 1.383 1.383 779 2HA GLY 101 HA1 GLY 101 28.014 3.084 3.084 780 H LEU 102 HN LEU 102 24.720 2.938 2.938 781 HA LEU 102 HA LEU 102 23.925 4.049 4.049 782 1HB LEU 102 HB2 LEU 102 22.460 3.828 3.828 783 2HB LEU 102 HB1 LEU 102 22.177 2.150 2.150 784 HG LEU 102 HG LEU 102 21.569 4.578 4.578 785 1HD1 LEU 102 HD11 LEU 102 19.873 2.808 2.808 786 2HD1 LEU 102 HD13 LEU 102 19.181 3.608 3.608 787 3HD1 LEU 102 HD12 LEU 102 19.887 4.570 4.570 788 1HD2 LEU 102 HD21 LEU 102 21.394 1.616 1.616 789 2HD2 LEU 102 HD23 LEU 102 21.972 2.870 2.870 790 3HD2 LEU 102 HD22 LEU 102 20.246 2.689 2.689 791 H THR 103 HN THR 103 23.307 0.674 0.674 792 HA THR 103 HA THR 103 22.785 -1.055 -1.055 793 HB THR 103 HB THR 103 25.676 -0.317 -0.317 794 HG1 THR 103 HG1 THR 103 25.054 -0.551 -0.551 795 1HG2 THR 103 HG21 THR 103 24.072 -2.371 -2.371 796 2HG2 THR 103 HG23 THR 103 25.073 -3.148 -3.148 797 3HG2 THR 103 HG22 THR 103 25.824 -2.242 -2.242 798 H ALA 104 HN ALA 104 25.140 -0.522 -0.522 799 HA ALA 104 HA ALA 104 23.202 0.489 0.489 800 1HB ALA 104 HB3 ALA 104 24.559 -1.618 -1.618 801 2HB ALA 104 HB2 ALA 104 25.983 -0.583 -0.583 802 3HB ALA 104 HB1 ALA 104 24.672 -0.409 -0.409 803 H LEU 105 HN LEU 105 26.121 1.438 1.438 804 HA LEU 105 HA LEU 105 27.212 3.328 3.328 805 1HB LEU 105 HB2 LEU 105 27.024 3.768 3.768 806 2HB LEU 105 HB1 LEU 105 28.314 4.240 4.240 807 HG LEU 105 HG LEU 105 27.566 1.414 1.414 808 1HD1 LEU 105 HD12 LEU 105 28.776 2.792 2.792 809 2HD1 LEU 105 HD11 LEU 105 30.084 3.010 3.010 810 3HD1 LEU 105 HD13 LEU 105 29.702 1.399 1.399 811 1HD2 LEU 105 HD23 LEU 105 29.624 2.487 2.487 812 2HD2 LEU 105 HD22 LEU 105 28.329 1.334 1.334 813 3HD2 LEU 105 HD21 LEU 105 29.698 0.862 0.862 814 H GLU 106 HN GLU 106 25.018 4.175 4.175 815 HA GLU 106 HA GLU 106 24.583 6.793 6.793 816 1HB GLU 106 HB2 GLU 106 23.079 5.607 5.607 817 2HB GLU 106 HB1 GLU 106 23.443 7.287 7.287 818 1HG GLU 106 HG2 GLU 106 25.637 5.257 5.257 819 2HG GLU 106 HG1 GLU 106 24.866 6.080 6.080 820 H ALA 107 HN ALA 107 23.154 3.744 3.744 821 HA ALA 107 HA ALA 107 20.419 4.666 4.666 822 1HB ALA 107 HB2 ALA 107 21.735 2.090 2.090 823 2HB ALA 107 HB1 ALA 107 20.010 2.415 2.415 824 3HB ALA 107 HB3 ALA 107 20.829 2.349 2.349 825 H THR 108 HN THR 108 23.072 3.955 3.955 826 HA THR 108 HA THR 108 21.510 5.465 5.465 827 HB THR 108 HB THR 108 20.618 3.171 3.171 828 HG1 THR 108 HG1 THR 108 20.577 3.999 3.999 829 1HG2 THR 108 HG21 THR 108 23.026 2.357 2.357 830 2HG2 THR 108 HG23 THR 108 23.283 2.182 2.182 831 3HG2 THR 108 HG22 THR 108 21.985 1.299 1.299 832 H ASP 109 HN ASP 109 22.746 4.322 4.322 833 HA ASP 109 HA ASP 109 25.645 4.621 4.621 834 1HB ASP 109 HB2 ASP 109 25.057 6.911 6.911 835 2HB ASP 109 HB1 ASP 109 23.929 6.424 6.424 836 H ASN 110 HN ASN 110 22.936 3.113 3.113 837 HA ASN 110 HA ASN 110 24.039 2.327 2.327 838 1HB ASN 110 HB2 ASN 110 22.155 0.567 0.567 839 2HB ASN 110 HB1 ASN 110 21.661 2.256 2.256 840 1HD2 ASN 110 HD21 ASN 110 23.110 1.341 1.341 841 2HD2 ASN 110 HD22 ASN 110 21.690 1.142 1.142 842 H GLN 111 HN GLN 111 25.104 0.371 0.371 843 HA GLN 111 HA GLN 111 26.555 -0.713 -0.713 844 1HB GLN 111 HB2 GLN 111 27.817 -0.298 -0.298 845 2HB GLN 111 HB1 GLN 111 26.667 -1.110 -1.110 846 1HG GLN 111 HG2 GLN 111 27.358 -3.255 -3.255 847 2HG GLN 111 HG1 GLN 111 28.134 -2.620 -2.620 848 1HE2 GLN 111 HE21 GLN 111 30.334 -3.138 -3.138 849 2HE2 GLN 111 HE22 GLN 111 31.195 -2.624 -2.624 850 H ALA 112 HN ALA 112 23.521 -1.565 -1.565 851 HA ALA 112 HA ALA 112 23.940 -4.483 -4.483 852 1HB ALA 112 HB1 ALA 112 21.417 -2.805 -2.805 853 2HB ALA 112 HB3 ALA 112 21.426 -4.568 -4.568 854 3HB ALA 112 HB2 ALA 112 22.054 -3.671 -3.671 855 H ILE 113 HN ILE 113 22.770 -1.941 -1.941 856 HA ILE 113 HA ILE 113 22.173 -3.560 -3.560 857 HB ILE 113 HB ILE 113 22.828 -0.612 -0.612 858 1HG1 ILE 113 HG12 ILE 113 20.452 -0.231 -0.231 859 2HG1 ILE 113 HG11 ILE 113 20.143 -1.938 -1.938 860 1HG2 ILE 113 HG21 ILE 113 23.055 -1.921 -1.921 861 2HG2 ILE 113 HG23 ILE 113 21.329 -1.601 -1.601 862 3HG2 ILE 113 HG22 ILE 113 22.459 -0.272 -0.272 863 1HD1 ILE 113 HD12 ILE 113 21.485 -0.948 -0.948 864 2HD1 ILE 113 HD11 ILE 113 19.735 -0.990 -0.990 865 3HD1 ILE 113 HD13 ILE 113 20.661 -2.481 -2.481 866 H LYS 114 HN LYS 114 24.769 -1.363 -1.363 867 HA LYS 114 HA LYS 114 26.455 -1.726 -1.726 868 1HB LYS 114 HB2 LYS 114 27.380 -1.481 -1.481 869 2HB LYS 114 HB1 LYS 114 28.258 -0.979 -0.979 870 1HG LYS 114 HG2 LYS 114 25.528 0.175 0.175 871 2HG LYS 114 HG1 LYS 114 26.939 0.833 0.833 872 1HD LYS 114 HD2 LYS 114 27.969 0.952 0.952 873 2HD LYS 114 HD1 LYS 114 26.299 0.809 0.809 874 1HE LYS 114 HE2 LYS 114 26.879 3.164 3.164 875 2HE LYS 114 HE1 LYS 114 25.707 2.753 2.753 876 1HZ LYS 114 HZ3 LYS 114 28.616 2.644 2.644 877 2HZ LYS 114 HZ2 LYS 114 27.736 4.085 4.085 878 3HZ LYS 114 HZ1 LYS 114 27.353 2.719 2.719 879 H ALA 115 HN ALA 115 25.393 -3.989 -3.989 880 HA ALA 115 HA ALA 115 27.640 -5.768 -5.768 881 1HB ALA 115 HB1 ALA 115 25.454 -5.850 -5.850 882 2HB ALA 115 HB3 ALA 115 24.761 -6.703 -6.703 883 3HB ALA 115 HB2 ALA 115 26.149 -7.381 -7.381 884 H LEU 116 HN LEU 116 24.905 -5.332 -5.332 885 HA LEU 116 HA LEU 116 25.646 -7.606 -7.606 886 1HB LEU 116 HB2 LEU 116 23.668 -5.446 -5.446 887 2HB LEU 116 HB1 LEU 116 24.352 -5.797 -5.797 888 HG LEU 116 HG LEU 116 22.934 -7.716 -7.716 889 1HD1 LEU 116 HD13 LEU 116 21.573 -6.244 -6.244 890 2HD1 LEU 116 HD12 LEU 116 22.430 -6.917 -6.917 891 3HD1 LEU 116 HD11 LEU 116 21.403 -7.954 -7.954 892 1HD2 LEU 116 HD23 LEU 116 24.879 -8.250 -8.250 893 2HD2 LEU 116 HD22 LEU 116 24.425 -9.271 -9.271 894 3HD2 LEU 116 HD21 LEU 116 23.388 -9.188 -9.188 895 H LEU 117 HN LEU 117 27.139 -4.700 -4.700 896 HA LEU 117 HA LEU 117 28.302 -4.296 -4.296 897 1HB LEU 117 HB2 LEU 117 28.105 -2.698 -2.698 898 2HB LEU 117 HB1 LEU 117 29.800 -3.159 -3.159 899 HG LEU 117 HG LEU 117 29.405 -1.040 -1.040 900 1HD1 LEU 117 HD11 LEU 117 31.214 -2.622 -2.622 901 2HD1 LEU 117 HD13 LEU 117 30.110 -3.246 -3.246 902 3HD1 LEU 117 HD12 LEU 117 30.632 -1.565 -1.565 903 1HD2 LEU 117 HD22 LEU 117 27.091 -2.265 -2.265 904 2HD2 LEU 117 HD21 LEU 117 27.745 -0.740 -0.740 905 3HD2 LEU 117 HD23 LEU 117 28.115 -2.244 -2.244 906 H GLN 118 HN GLN 118 28.687 -6.239 -6.239 907 HA GLN 118 HA GLN 118 30.582 -7.497 -7.497 908 1HB GLN 118 HB2 GLN 118 30.324 -8.549 -8.549 909 2HB GLN 118 HB1 GLN 118 30.656 -9.439 -9.439 910 1HG GLN 118 HG2 GLN 118 28.403 -9.027 -9.027 911 2HG GLN 118 HG1 GLN 118 28.056 -7.998 -7.998 912 1HE2 GLN 118 HE21 GLN 118 27.171 -10.901 -10.901 913 2HE2 GLN 118 HE22 GLN 118 27.152 -11.790 -11.790 Start of MODEL 35 1 1H MET 1 HT2 MET 1 -13.241 -12.640 -12.640 2 2H MET 1 HT1 MET 1 -12.980 -14.301 -14.301 3 3H MET 1 HT3 MET 1 -12.923 -13.237 -13.237 4 HA MET 1 HA MET 1 -10.697 -13.619 -13.619 5 1HB MET 1 HB2 MET 1 -9.884 -13.393 -13.393 6 2HB MET 1 HB1 MET 1 -10.772 -14.855 -14.855 7 1HG MET 1 HG2 MET 1 -12.196 -12.430 -12.430 8 2HG MET 1 HG1 MET 1 -11.471 -13.626 -13.626 9 1HE MET 1 HE2 MET 1 -11.762 -16.031 -16.031 10 2HE MET 1 HE1 MET 1 -13.362 -16.758 -16.758 11 3HE MET 1 HE3 MET 1 -13.026 -15.555 -15.555 12 H CYS 2 HN CYS 2 -9.377 -11.885 -11.885 13 HA CYS 2 HA CYS 2 -9.733 -9.364 -9.364 14 1HB CYS 2 HB2 CYS 2 -10.085 -9.427 -9.427 15 2HB CYS 2 HB1 CYS 2 -10.144 -8.000 -8.000 16 HG CYS 2 HG CYS 2 -12.374 -10.127 -10.127 17 H ASP 3 HN ASP 3 -7.857 -8.083 -8.083 18 HA ASP 3 HA ASP 3 -5.397 -9.380 -9.380 19 1HB ASP 3 HB2 ASP 3 -5.854 -6.389 -6.389 20 2HB ASP 3 HB1 ASP 3 -4.345 -7.247 -7.247 21 H LYS 4 HN LYS 4 -7.495 -7.368 -7.368 22 HA LYS 4 HA LYS 4 -5.813 -6.544 -6.544 23 1HB LYS 4 HB2 LYS 4 -8.675 -7.522 -7.522 24 2HB LYS 4 HB1 LYS 4 -7.845 -6.687 -6.687 25 1HG LYS 4 HG2 LYS 4 -7.359 -4.811 -4.811 26 2HG LYS 4 HG1 LYS 4 -8.456 -5.611 -5.611 27 1HD LYS 4 HD2 LYS 4 -10.307 -5.386 -5.386 28 2HD LYS 4 HD1 LYS 4 -9.241 -4.809 -4.809 29 1HE LYS 4 HE2 LYS 4 -10.258 -2.851 -2.851 30 2HE LYS 4 HE1 LYS 4 -8.630 -2.884 -2.884 31 1HZ LYS 4 HZ3 LYS 4 -10.439 -4.363 -4.363 32 2HZ LYS 4 HZ2 LYS 4 -11.000 -2.774 -2.774 33 3HZ LYS 4 HZ1 LYS 4 -9.453 -3.051 -3.051 34 H GLU 5 HN GLU 5 -7.761 -9.578 -9.578 35 HA GLU 5 HA GLU 5 -6.481 -10.589 -10.589 36 1HB GLU 5 HB2 GLU 5 -7.123 -12.893 -12.893 37 2HB GLU 5 HB1 GLU 5 -8.416 -11.756 -11.756 38 1HG GLU 5 HG2 GLU 5 -8.419 -11.013 -11.013 39 2HG GLU 5 HG1 GLU 5 -7.175 -12.212 -12.212 40 H PHE 6 HN PHE 6 -5.661 -11.328 -11.328 41 HA PHE 6 HA PHE 6 -3.383 -12.930 -12.930 42 1HB PHE 6 HB2 PHE 6 -4.332 -12.914 -12.914 43 2HB PHE 6 HB1 PHE 6 -3.943 -11.203 -11.203 44 HD1 PHE 6 HD2 PHE 6 -2.373 -14.537 -14.537 45 HD2 PHE 6 HD1 PHE 6 -1.844 -10.543 -10.543 46 HE1 PHE 6 HE2 PHE 6 -0.107 -15.139 -15.139 47 HE2 PHE 6 HE1 PHE 6 0.422 -11.144 -11.144 48 HZ PHE 6 HZ PHE 6 1.290 -13.442 -13.442 49 H MET 7 HN MET 7 -3.610 -9.470 -9.470 50 HA MET 7 HA MET 7 -0.821 -8.892 -8.892 51 1HB MET 7 HB2 MET 7 -2.363 -7.440 -7.440 52 2HB MET 7 HB1 MET 7 -3.248 -7.091 -7.091 53 1HG MET 7 HG2 MET 7 -1.479 -5.841 -5.841 54 2HG MET 7 HG1 MET 7 -0.289 -6.558 -6.558 55 1HE MET 7 HE3 MET 7 -3.693 -4.848 -4.848 56 2HE MET 7 HE2 MET 7 -3.724 -3.882 -3.882 57 3HE MET 7 HE1 MET 7 -3.768 -5.640 -5.640 58 H TRP 8 HN TRP 8 -3.616 -8.190 -8.190 59 HA TRP 8 HA TRP 8 -2.248 -7.143 -7.143 60 1HB TRP 8 HB2 TRP 8 -4.735 -7.254 -7.254 61 2HB TRP 8 HB1 TRP 8 -4.668 -8.952 -8.952 62 HD1 TRP 8 HD1 TRP 8 -4.797 -9.453 -9.453 63 HE1 TRP 8 HE1 TRP 8 -4.616 -8.069 -8.069 64 HE3 TRP 8 HE3 TRP 8 -3.409 -4.941 -4.941 65 HZ2 TRP 8 HZ2 TRP 8 -3.968 -5.403 -5.403 66 HZ3 TRP 8 HZ3 TRP 8 -3.016 -2.998 -2.998 67 HH2 TRP 8 HH2 TRP 8 -3.293 -3.223 -3.223 68 H ALA 9 HN ALA 9 -1.782 -10.217 -10.217 69 HA ALA 9 HA ALA 9 -1.304 -11.519 -11.519 70 1HB ALA 9 HB3 ALA 9 -0.776 -12.471 -12.471 71 2HB ALA 9 HB2 ALA 9 -0.583 -13.450 -13.450 72 3HB ALA 9 HB1 ALA 9 -2.183 -12.876 -12.876 73 H LEU 10 HN LEU 10 0.604 -10.496 -10.496 74 HA LEU 10 HA LEU 10 3.183 -11.120 -11.120 75 1HB LEU 10 HB2 LEU 10 2.331 -8.764 -8.764 76 2HB LEU 10 HB1 LEU 10 3.969 -9.393 -9.393 77 HG LEU 10 HG LEU 10 2.610 -11.674 -11.674 78 1HD1 LEU 10 HD12 LEU 10 0.552 -10.133 -10.133 79 2HD1 LEU 10 HD11 LEU 10 1.368 -9.554 -9.554 80 3HD1 LEU 10 HD13 LEU 10 0.926 -11.254 -11.254 81 1HD2 LEU 10 HD21 LEU 10 3.955 -9.571 -9.571 82 2HD2 LEU 10 HD23 LEU 10 4.591 -11.129 -11.129 83 3HD2 LEU 10 HD22 LEU 10 3.347 -11.062 -11.062 84 H LYS 11 HN LYS 11 0.862 -9.035 -9.035 85 HA LYS 11 HA LYS 11 2.659 -7.033 -7.033 86 1HB LYS 11 HB2 LYS 11 0.537 -6.276 -6.276 87 2HB LYS 11 HB1 LYS 11 -0.334 -7.477 -7.477 88 1HG LYS 11 HG2 LYS 11 -0.390 -6.115 -6.115 89 2HG LYS 11 HG1 LYS 11 1.353 -5.858 -5.858 90 1HD LYS 11 HD2 LYS 11 -0.554 -4.462 -4.462 91 2HD LYS 11 HD1 LYS 11 -0.099 -3.778 -3.778 92 1HE LYS 11 HE2 LYS 11 2.120 -3.467 -3.467 93 2HE LYS 11 HE1 LYS 11 2.067 -4.755 -4.755 94 1HZ LYS 11 HZ3 LYS 11 0.327 -2.440 -2.440 95 2HZ LYS 11 HZ2 LYS 11 1.992 -2.215 -2.215 96 3HZ LYS 11 HZ1 LYS 11 1.144 -3.394 -3.394 97 H ASN 12 HN ASN 12 -0.078 -8.637 -8.637 98 HA ASN 12 HA ASN 12 1.153 -8.642 -8.642 99 1HB ASN 12 HB2 ASN 12 -1.294 -8.452 -8.452 100 2HB ASN 12 HB1 ASN 12 -1.301 -10.142 -10.142 101 1HD2 ASN 12 HD21 ASN 12 0.456 -8.588 -8.588 102 2HD2 ASN 12 HD22 ASN 12 -0.259 -9.551 -9.551 103 H GLY 13 HN GLY 13 2.325 -10.350 -10.350 104 1HA GLY 13 HA2 GLY 13 3.523 -12.344 -12.344 105 2HA GLY 13 HA1 GLY 13 3.329 -12.418 -12.418 106 H ASP 14 HN ASP 14 0.430 -12.344 -12.344 107 HA ASP 14 HA ASP 14 -0.358 -14.917 -14.917 108 1HB ASP 14 HB2 ASP 14 -1.616 -13.681 -13.681 109 2HB ASP 14 HB1 ASP 14 -2.344 -14.664 -14.664 110 H LEU 15 HN LEU 15 1.971 -15.355 -15.355 111 HA LEU 15 HA LEU 15 2.635 -15.927 -15.927 112 1HB LEU 15 HB2 LEU 15 4.116 -16.112 -16.112 113 2HB LEU 15 HB1 LEU 15 3.250 -17.559 -17.559 114 HG LEU 15 HG LEU 15 5.474 -17.874 -17.874 115 1HD1 LEU 15 HD13 LEU 15 3.139 -19.397 -19.397 116 2HD1 LEU 15 HD12 LEU 15 3.609 -19.423 -19.423 117 3HD1 LEU 15 HD11 LEU 15 4.743 -19.962 -19.962 118 1HD2 LEU 15 HD23 LEU 15 4.747 -16.138 -16.138 119 2HD2 LEU 15 HD22 LEU 15 5.567 -17.597 -17.597 120 3HD2 LEU 15 HD21 LEU 15 3.816 -17.463 -17.463 121 H ASP 16 HN ASP 16 0.417 -17.679 -17.679 122 HA ASP 16 HA ASP 16 0.290 -20.078 -20.078 123 1HB ASP 16 HB2 ASP 16 -1.657 -18.772 -18.772 124 2HB ASP 16 HB1 ASP 16 -1.899 -20.368 -20.368 125 H GLU 17 HN GLU 17 -1.272 -16.941 -16.941 126 HA GLU 17 HA GLU 17 -3.303 -17.804 -17.804 127 1HB GLU 17 HB2 GLU 17 -2.323 -15.086 -15.086 128 2HB GLU 17 HB1 GLU 17 -3.574 -15.296 -15.296 129 1HG GLU 17 HG2 GLU 17 -4.916 -16.618 -16.618 130 2HG GLU 17 HG1 GLU 17 -3.683 -16.341 -16.341 131 H VAL 18 HN VAL 18 -0.184 -16.064 -16.064 132 HA VAL 18 HA VAL 18 -0.385 -15.773 -15.773 133 HB VAL 18 HB VAL 18 2.343 -15.984 -15.984 134 1HG1 VAL 18 HG12 VAL 18 0.840 -14.082 -14.082 135 2HG1 VAL 18 HG11 VAL 18 0.931 -13.410 -13.410 136 3HG1 VAL 18 HG13 VAL 18 2.406 -13.687 -13.687 137 1HG2 VAL 18 HG21 VAL 18 1.552 -16.335 -16.335 138 2HG2 VAL 18 HG23 VAL 18 2.857 -15.199 -15.199 139 3HG2 VAL 18 HG22 VAL 18 1.226 -14.599 -14.599 140 H LYS 19 HN LYS 19 0.939 -18.212 -18.212 141 HA LYS 19 HA LYS 19 2.205 -19.892 -19.892 142 1HB LYS 19 HB2 LYS 19 2.328 -20.030 -20.030 143 2HB LYS 19 HB1 LYS 19 0.734 -20.781 -20.781 144 1HG LYS 19 HG2 LYS 19 1.519 -22.721 -22.721 145 2HG LYS 19 HG1 LYS 19 2.940 -21.914 -21.914 146 1HD LYS 19 HD2 LYS 19 2.633 -22.085 -22.085 147 2HD LYS 19 HD1 LYS 19 3.181 -23.509 -23.509 148 1HE LYS 19 HE2 LYS 19 4.496 -20.911 -20.911 149 2HE LYS 19 HE1 LYS 19 4.901 -21.649 -21.649 150 1HZ LYS 19 HZ1 LYS 19 5.388 -23.722 -23.722 151 2HZ LYS 19 HZ3 LYS 19 5.117 -22.919 -22.919 152 3HZ LYS 19 HZ2 LYS 19 6.401 -22.440 -22.440 153 H ASP 20 HN ASP 20 -1.176 -19.588 -19.588 154 HA ASP 20 HA ASP 20 -2.106 -22.018 -22.018 155 1HB ASP 20 HB2 ASP 20 -3.434 -20.522 -20.522 156 2HB ASP 20 HB1 ASP 20 -3.619 -19.400 -19.400 157 H TYR 21 HN TYR 21 -2.106 -18.704 -18.704 158 HA TYR 21 HA TYR 21 -2.970 -19.581 -19.581 159 1HB TYR 21 HB2 TYR 21 -1.444 -17.111 -17.111 160 2HB TYR 21 HB1 TYR 21 -2.058 -17.355 -17.355 161 HD1 TYR 21 HD1 TYR 21 -3.067 -17.102 -17.102 162 HD2 TYR 21 HD2 TYR 21 -4.366 -17.041 -17.041 163 HE1 TYR 21 HE1 TYR 21 -5.312 -16.335 -16.335 164 HE2 TYR 21 HE2 TYR 21 -6.610 -16.272 -16.272 165 HH TYR 21 HH TYR 21 -7.258 -15.395 -15.395 166 H VAL 22 HN VAL 22 0.299 -18.823 -18.823 167 HA VAL 22 HA VAL 22 1.644 -19.568 -19.568 168 HB VAL 22 HB VAL 22 2.580 -19.265 -19.265 169 1HG1 VAL 22 HG13 VAL 22 4.097 -20.024 -20.024 170 2HG1 VAL 22 HG12 VAL 22 4.889 -19.218 -19.218 171 3HG1 VAL 22 HG11 VAL 22 4.143 -20.800 -20.800 172 1HG2 VAL 22 HG21 VAL 22 1.830 -17.250 -17.250 173 2HG2 VAL 22 HG23 VAL 22 3.526 -17.192 -17.192 174 3HG2 VAL 22 HG22 VAL 22 3.093 -17.613 -17.613 175 H ALA 23 HN ALA 23 0.481 -21.397 -21.397 176 HA ALA 23 HA ALA 23 2.055 -23.749 -23.749 177 1HB ALA 23 HB3 ALA 23 -0.704 -23.218 -23.218 178 2HB ALA 23 HB2 ALA 23 -0.128 -24.876 -24.876 179 3HB ALA 23 HB1 ALA 23 0.741 -23.747 -23.747 180 H LYS 24 HN LYS 24 -0.408 -22.304 -22.304 181 HA LYS 24 HA LYS 24 -1.602 -24.456 -24.456 182 1HB LYS 24 HB2 LYS 24 -2.264 -22.064 -22.064 183 2HB LYS 24 HB1 LYS 24 -0.813 -21.739 -21.739 184 1HG LYS 24 HG2 LYS 24 -2.429 -22.006 -22.006 185 2HG LYS 24 HG1 LYS 24 -1.710 -23.611 -23.611 186 1HD LYS 24 HD2 LYS 24 -4.106 -23.894 -23.894 187 2HD LYS 24 HD1 LYS 24 -3.531 -24.266 -24.266 188 1HE LYS 24 HE2 LYS 24 -4.485 -22.369 -22.369 189 2HE LYS 24 HE1 LYS 24 -4.334 -21.440 -21.440 190 1HZ LYS 24 HZ3 LYS 24 -6.052 -23.078 -23.078 191 2HZ LYS 24 HZ2 LYS 24 -6.358 -23.461 -23.461 192 3HZ LYS 24 HZ1 LYS 24 -6.588 -21.874 -21.874 193 H GLY 25 HN GLY 25 0.716 -22.426 -22.426 194 1HA GLY 25 HA2 GLY 25 2.587 -24.575 -24.575 195 2HA GLY 25 HA1 GLY 25 1.543 -24.325 -24.325 196 H GLU 26 HN GLU 26 4.222 -23.135 -23.135 197 HA GLU 26 HA GLU 26 5.499 -21.150 -21.150 198 1HB GLU 26 HB2 GLU 26 6.365 -21.042 -21.042 199 2HB GLU 26 HB1 GLU 26 6.684 -22.501 -22.501 200 1HG GLU 26 HG2 GLU 26 4.794 -23.635 -23.635 201 2HG GLU 26 HG1 GLU 26 4.376 -22.162 -22.162 202 H ASP 27 HN ASP 27 4.207 -19.403 -19.403 203 HA ASP 27 HA ASP 27 3.347 -17.812 -17.812 204 1HB ASP 27 HB2 ASP 27 1.593 -18.637 -18.637 205 2HB ASP 27 HB1 ASP 27 1.279 -17.151 -17.151 206 H VAL 28 HN VAL 28 5.622 -17.716 -17.716 207 HA VAL 28 HA VAL 28 5.074 -15.435 -15.435 208 HB VAL 28 HB VAL 28 7.361 -15.942 -15.942 209 1HG1 VAL 28 HG13 VAL 28 5.319 -17.007 -17.007 210 2HG1 VAL 28 HG12 VAL 28 5.489 -18.327 -18.327 211 3HG1 VAL 28 HG11 VAL 28 6.712 -18.084 -18.084 212 1HG2 VAL 28 HG22 VAL 28 7.867 -17.059 -17.059 213 2HG2 VAL 28 HG21 VAL 28 8.712 -17.566 -17.566 214 3HG2 VAL 28 HG23 VAL 28 7.347 -18.508 -18.508 215 H ASN 29 HN ASN 29 4.813 -14.413 -14.413 216 HA ASN 29 HA ASN 29 6.890 -12.499 -12.499 217 1HB ASN 29 HB2 ASN 29 7.479 -13.233 -13.233 218 2HB ASN 29 HB1 ASN 29 8.274 -14.067 -14.067 219 1HD2 ASN 29 HD21 ASN 29 7.299 -16.211 -16.211 220 2HD2 ASN 29 HD22 ASN 29 6.488 -17.123 -17.123 221 H ARG 30 HN ARG 30 4.059 -12.611 -12.611 222 HA ARG 30 HA ARG 30 3.097 -11.623 -11.623 223 1HB ARG 30 HB2 ARG 30 1.393 -12.255 -12.255 224 2HB ARG 30 HB1 ARG 30 0.882 -12.104 -12.104 225 1HG ARG 30 HG2 ARG 30 2.605 -14.089 -14.089 226 2HG ARG 30 HG1 ARG 30 2.308 -14.372 -14.372 227 1HD ARG 30 HD2 ARG 30 0.378 -14.498 -14.498 228 2HD ARG 30 HD1 ARG 30 0.660 -15.691 -15.691 229 HE ARG 30 HE ARG 30 -1.310 -13.624 -13.624 230 1HH1 ARG 30 HH21 ARG 30 1.168 -14.942 -14.942 231 2HH1 ARG 30 HH22 ARG 30 0.461 -14.351 -14.351 232 1HH2 ARG 30 HH11 ARG 30 -2.233 -12.857 -12.857 233 2HH2 ARG 30 HH12 ARG 30 -1.459 -13.168 -13.168 234 H THR 31 HN THR 31 2.206 -9.529 -9.529 235 HA THR 31 HA THR 31 3.242 -7.559 -7.559 236 HB THR 31 HB THR 31 0.645 -7.155 -7.155 237 HG1 THR 31 HG1 THR 31 2.065 -6.694 -6.694 238 1HG2 THR 31 HG21 THR 31 3.083 -5.437 -5.437 239 2HG2 THR 31 HG23 THR 31 1.669 -4.921 -4.921 240 3HG2 THR 31 HG22 THR 31 1.517 -5.297 -5.297 241 H LEU 32 HN LEU 32 2.602 -6.894 -6.894 242 HA LEU 32 HA LEU 32 0.512 -8.348 -8.348 243 1HB LEU 32 HB2 LEU 32 2.769 -7.338 -7.338 244 2HB LEU 32 HB1 LEU 32 1.809 -5.883 -5.883 245 HG LEU 32 HG LEU 32 1.057 -8.616 -8.616 246 1HD1 LEU 32 HD11 LEU 32 3.174 -7.132 -7.132 247 2HD1 LEU 32 HD13 LEU 32 1.863 -6.435 -6.435 248 3HD1 LEU 32 HD12 LEU 32 2.193 -8.164 -8.164 249 1HD2 LEU 32 HD22 LEU 32 -0.095 -5.836 -5.836 250 2HD2 LEU 32 HD21 LEU 32 -0.924 -7.364 -7.364 251 3HD2 LEU 32 HD23 LEU 32 -0.348 -6.977 -6.977 252 H GLU 33 HN GLU 33 0.733 -4.824 -4.824 253 HA GLU 33 HA GLU 33 -2.187 -4.694 -4.694 254 1HB GLU 33 HB2 GLU 33 -1.901 -2.326 -2.326 255 2HB GLU 33 HB1 GLU 33 -0.991 -3.387 -3.387 256 1HG GLU 33 HG2 GLU 33 1.001 -2.982 -2.982 257 2HG GLU 33 HG1 GLU 33 0.051 -1.635 -1.635 258 H GLY 34 HN GLY 34 0.440 -3.041 -3.041 259 1HA GLY 34 HA2 GLY 34 -1.266 -3.181 -3.181 260 2HA GLY 34 HA1 GLY 34 -0.937 -1.555 -1.555 261 H GLY 35 HN GLY 35 1.757 -2.459 -2.459 262 1HA GLY 35 HA2 GLY 35 3.201 -3.205 -3.205 263 2HA GLY 35 HA1 GLY 35 3.456 -1.536 -1.536 264 H ARG 36 HN ARG 36 2.788 -3.756 -3.756 265 HA ARG 36 HA ARG 36 5.676 -3.734 -3.734 266 1HB ARG 36 HB2 ARG 36 3.338 -4.128 -4.128 267 2HB ARG 36 HB1 ARG 36 4.982 -3.621 -3.621 268 1HG ARG 36 HG2 ARG 36 3.031 -1.987 -1.987 269 2HG ARG 36 HG1 ARG 36 3.354 -1.721 -1.721 270 1HD ARG 36 HD2 ARG 36 5.844 -1.572 -1.572 271 2HD ARG 36 HD1 ARG 36 5.212 -1.335 -1.335 272 HE ARG 36 HE ARG 36 5.358 0.648 0.648 273 1HH1 ARG 36 HH21 ARG 36 3.141 -0.591 -0.591 274 2HH1 ARG 36 HH22 ARG 36 2.130 0.815 0.815 275 1HH2 ARG 36 HH11 ARG 36 4.043 2.470 2.470 276 2HH2 ARG 36 HH12 ARG 36 2.636 2.540 2.540 277 H LYS 37 HN LYS 37 6.274 -5.688 -5.688 278 HA LYS 37 HA LYS 37 4.904 -8.143 -8.143 279 1HB LYS 37 HB2 LYS 37 7.011 -9.228 -9.228 280 2HB LYS 37 HB1 LYS 37 7.320 -7.605 -7.605 281 1HG LYS 37 HG2 LYS 37 7.895 -8.598 -8.598 282 2HG LYS 37 HG1 LYS 37 9.079 -8.235 -8.235 283 1HD LYS 37 HD2 LYS 37 8.023 -5.865 -5.865 284 2HD LYS 37 HD1 LYS 37 7.313 -6.317 -6.317 285 1HE LYS 37 HE2 LYS 37 9.370 -6.423 -6.423 286 2HE LYS 37 HE1 LYS 37 10.252 -6.755 -6.755 287 1HZ LYS 37 HZ2 LYS 37 9.639 -4.461 -4.461 288 2HZ LYS 37 HZ1 LYS 37 9.081 -4.176 -4.176 289 3HZ LYS 37 HZ3 LYS 37 10.717 -4.537 -4.537 290 HA PRO 38 HA PRO 38 4.215 -9.259 -9.259 291 1HB PRO 38 HB2 PRO 38 4.738 -12.004 -12.004 292 2HB PRO 38 HB1 PRO 38 3.254 -11.243 -11.243 293 1HG PRO 38 HG2 PRO 38 5.378 -12.533 -12.533 294 2HG PRO 38 HG1 PRO 38 3.774 -12.012 -12.012 295 1HD PRO 38 HD2 PRO 38 6.320 -10.708 -10.708 296 2HD PRO 38 HD1 PRO 38 4.720 -10.219 -10.219 297 H LEU 39 HN LEU 39 7.111 -8.468 -8.468 298 HA LEU 39 HA LEU 39 8.299 -10.086 -10.086 299 1HB LEU 39 HB2 LEU 39 9.321 -10.351 -10.351 300 2HB LEU 39 HB1 LEU 39 9.873 -8.689 -8.689 301 HG LEU 39 HG LEU 39 11.533 -9.242 -9.242 302 1HD1 LEU 39 HD11 LEU 39 9.825 -11.537 -11.537 303 2HD1 LEU 39 HD13 LEU 39 11.444 -11.171 -11.171 304 3HD1 LEU 39 HD12 LEU 39 10.136 -10.018 -10.018 305 1HD2 LEU 39 HD22 LEU 39 11.580 -10.781 -10.781 306 2HD2 LEU 39 HD21 LEU 39 12.655 -11.168 -11.168 307 3HD2 LEU 39 HD23 LEU 39 11.153 -12.066 -12.066 308 H HIS 40 HN HIS 40 7.639 -6.896 -6.896 309 HA HIS 40 HA HIS 40 9.461 -5.481 -5.481 310 1HB HIS 40 HB2 HIS 40 8.546 -4.431 -4.431 311 2HB HIS 40 HB1 HIS 40 6.925 -4.506 -4.506 312 HD1 HIS 40 HD1 HIS 40 6.593 -3.114 -3.114 313 HD2 HIS 40 HD2 HIS 40 10.020 -2.204 -2.204 314 HE1 HIS 40 HE1 HIS 40 7.444 -0.899 -0.899 315 H TYR 41 HN TYR 41 5.979 -6.215 -6.215 316 HA TYR 41 HA TYR 41 5.569 -4.987 -4.987 317 1HB TYR 41 HB2 TYR 41 3.959 -7.258 -7.258 318 2HB TYR 41 HB1 TYR 41 3.405 -6.013 -6.013 319 HD1 TYR 41 HD1 TYR 41 4.708 -6.556 -6.556 320 HD2 TYR 41 HD2 TYR 41 2.659 -3.903 -3.903 321 HE1 TYR 41 HE1 TYR 41 4.185 -5.043 -5.043 322 HE2 TYR 41 HE2 TYR 41 2.131 -2.398 -2.398 323 HH TYR 41 HH TYR 41 1.882 -2.797 -2.797 324 H ALA 42 HN ALA 42 6.439 -8.214 -8.214 325 HA ALA 42 HA ALA 42 6.343 -9.479 -9.479 326 1HB ALA 42 HB1 ALA 42 6.486 -10.618 -10.618 327 2HB ALA 42 HB3 ALA 42 8.205 -10.227 -10.227 328 3HB ALA 42 HB2 ALA 42 7.507 -11.291 -11.291 329 H ALA 43 HN ALA 43 9.077 -8.406 -8.406 330 HA ALA 43 HA ALA 43 11.102 -8.545 -8.545 331 1HB ALA 43 HB3 ALA 43 11.477 -8.043 -8.043 332 2HB ALA 43 HB2 ALA 43 10.749 -6.455 -6.455 333 3HB ALA 43 HB1 ALA 43 12.266 -6.856 -6.856 334 H ASP 44 HN ASP 44 9.310 -5.600 -5.600 335 HA ASP 44 HA ASP 44 10.185 -3.876 -3.876 336 1HB ASP 44 HB2 ASP 44 8.754 -3.248 -3.248 337 2HB ASP 44 HB1 ASP 44 7.377 -3.986 -3.986 338 H CYS 45 HN CYS 45 7.477 -6.213 -6.213 339 HA CYS 45 HA CYS 45 7.741 -6.124 -6.124 340 1HB CYS 45 HB2 CYS 45 5.236 -5.162 -5.162 341 2HB CYS 45 HB1 CYS 45 5.335 -5.512 -5.512 342 HG CYS 45 HG CYS 45 7.443 -3.487 -3.487 343 H GLY 46 HN GLY 46 8.222 -8.387 -8.387 344 1HA GLY 46 HA2 GLY 46 5.626 -9.901 -9.901 345 2HA GLY 46 HA1 GLY 46 7.067 -10.391 -10.391 346 H GLN 47 HN GLN 47 7.212 -9.197 -9.197 347 HA GLN 47 HA GLN 47 8.063 -10.264 -10.264 348 1HB GLN 47 HB2 GLN 47 6.430 -12.557 -12.557 349 2HB GLN 47 HB1 GLN 47 7.009 -12.446 -12.446 350 1HG GLN 47 HG2 GLN 47 5.825 -10.208 -10.208 351 2HG GLN 47 HG1 GLN 47 5.083 -10.580 -10.580 352 1HE2 GLN 47 HE21 GLN 47 2.963 -10.639 -10.639 353 2HE2 GLN 47 HE22 GLN 47 2.463 -11.928 -11.928 354 H LEU 48 HN LEU 48 9.212 -10.494 -10.494 355 HA LEU 48 HA LEU 48 11.125 -11.286 -11.286 356 1HB LEU 48 HB2 LEU 48 11.712 -11.968 -11.968 357 2HB LEU 48 HB1 LEU 48 12.879 -12.166 -12.166 358 HG LEU 48 HG LEU 48 13.454 -10.002 -10.002 359 1HD1 LEU 48 HD13 LEU 48 10.587 -9.363 -9.363 360 2HD1 LEU 48 HD12 LEU 48 11.907 -8.204 -8.204 361 3HD1 LEU 48 HD11 LEU 48 11.935 -9.536 -9.536 362 1HD2 LEU 48 HD23 LEU 48 12.586 -10.205 -10.205 363 2HD2 LEU 48 HD22 LEU 48 12.409 -8.568 -8.568 364 3HD2 LEU 48 HD21 LEU 48 11.014 -9.643 -9.643 365 H GLU 49 HN GLU 49 8.855 -13.310 -13.310 366 HA GLU 49 HA GLU 49 10.346 -15.795 -15.795 367 1HB GLU 49 HB2 GLU 49 7.880 -16.731 -16.731 368 2HB GLU 49 HB1 GLU 49 8.979 -16.367 -16.367 369 1HG GLU 49 HG2 GLU 49 7.989 -14.167 -14.167 370 2HG GLU 49 HG1 GLU 49 6.963 -14.414 -14.414 371 H ILE 50 HN ILE 50 7.737 -13.724 -13.724 372 HA ILE 50 HA ILE 50 6.832 -15.334 -15.334 373 HB ILE 50 HB ILE 50 6.703 -12.329 -12.329 374 1HG1 ILE 50 HG12 ILE 50 5.466 -14.478 -14.478 375 2HG1 ILE 50 HG11 ILE 50 5.546 -12.758 -12.758 376 1HG2 ILE 50 HG23 ILE 50 4.988 -14.351 -14.351 377 2HG2 ILE 50 HG22 ILE 50 4.681 -12.617 -12.617 378 3HG2 ILE 50 HG21 ILE 50 6.123 -13.217 -13.217 379 1HD1 ILE 50 HD11 ILE 50 3.648 -13.759 -13.759 380 2HD1 ILE 50 HD13 ILE 50 3.226 -13.914 -13.914 381 3HD1 ILE 50 HD12 ILE 50 3.542 -12.322 -12.322 382 H LEU 51 HN LEU 51 9.276 -12.739 -12.739 383 HA LEU 51 HA LEU 51 9.588 -12.614 -12.614 384 1HB LEU 51 HB2 LEU 51 12.177 -12.174 -12.174 385 2HB LEU 51 HB1 LEU 51 10.941 -10.938 -10.938 386 HG LEU 51 HG LEU 51 12.107 -10.771 -10.771 387 1HD1 LEU 51 HD11 LEU 51 9.308 -10.950 -10.950 388 2HD1 LEU 51 HD13 LEU 51 9.687 -11.751 -11.751 389 3HD1 LEU 51 HD12 LEU 51 10.207 -10.090 -10.090 390 1HD2 LEU 51 HD21 LEU 51 12.562 -13.326 -13.326 391 2HD2 LEU 51 HD23 LEU 51 12.344 -12.501 -12.501 392 3HD2 LEU 51 HD22 LEU 51 11.014 -13.436 -13.436 393 H GLU 52 HN GLU 52 11.605 -14.634 -14.634 394 HA GLU 52 HA GLU 52 12.948 -15.877 -15.877 395 1HB GLU 52 HB2 GLU 52 13.081 -17.917 -17.917 396 2HB GLU 52 HB1 GLU 52 14.137 -16.516 -16.516 397 1HG GLU 52 HG2 GLU 52 13.407 -16.692 -16.692 398 2HG GLU 52 HG1 GLU 52 12.319 -15.475 -15.475 399 H PHE 53 HN PHE 53 9.702 -16.407 -16.407 400 HA PHE 53 HA PHE 53 9.359 -19.082 -19.082 401 1HB PHE 53 HB2 PHE 53 7.637 -18.196 -18.196 402 2HB PHE 53 HB1 PHE 53 7.406 -16.810 -16.810 403 HD1 PHE 53 HD1 PHE 53 7.555 -20.549 -20.549 404 HD2 PHE 53 HD2 PHE 53 5.467 -16.898 -16.898 405 HE1 PHE 53 HE1 PHE 53 5.894 -21.819 -21.819 406 HE2 PHE 53 HE2 PHE 53 3.803 -18.171 -18.171 407 HZ PHE 53 HZ PHE 53 4.018 -20.634 -20.634 408 H LEU 54 HN LEU 54 7.576 -16.517 -16.517 409 HA LEU 54 HA LEU 54 7.447 -17.830 -17.830 410 1HB LEU 54 HB2 LEU 54 6.717 -15.739 -15.739 411 2HB LEU 54 HB1 LEU 54 6.033 -15.914 -15.914 412 HG LEU 54 HG LEU 54 6.701 -13.694 -13.694 413 1HD1 LEU 54 HD13 LEU 54 7.797 -14.879 -14.879 414 2HD1 LEU 54 HD12 LEU 54 9.247 -15.069 -15.069 415 3HD1 LEU 54 HD11 LEU 54 8.697 -13.462 -13.462 416 1HD2 LEU 54 HD22 LEU 54 7.835 -13.930 -13.930 417 2HD2 LEU 54 HD21 LEU 54 8.513 -12.733 -12.733 418 3HD2 LEU 54 HD23 LEU 54 9.314 -14.287 -14.287 419 H LEU 55 HN LEU 55 10.242 -16.674 -16.674 420 HA LEU 55 HA LEU 55 11.520 -15.974 -15.974 421 1HB LEU 55 HB2 LEU 55 11.955 -14.906 -14.906 422 2HB LEU 55 HB1 LEU 55 13.006 -16.300 -16.300 423 HG LEU 55 HG LEU 55 13.184 -14.322 -14.322 424 1HD1 LEU 55 HD13 LEU 55 14.682 -14.658 -14.658 425 2HD1 LEU 55 HD12 LEU 55 15.412 -13.835 -13.835 426 3HD1 LEU 55 HD11 LEU 55 13.937 -13.198 -13.198 427 1HD2 LEU 55 HD22 LEU 55 14.617 -16.870 -16.870 428 2HD2 LEU 55 HD21 LEU 55 14.115 -16.273 -16.273 429 3HD2 LEU 55 HD23 LEU 55 15.525 -15.578 -15.578 430 H LEU 56 HN LEU 56 11.613 -18.534 -18.534 431 HA LEU 56 HA LEU 56 13.724 -20.037 -20.037 432 1HB LEU 56 HB2 LEU 56 13.174 -21.809 -21.809 433 2HB LEU 56 HB1 LEU 56 12.713 -20.354 -20.354 434 HG LEU 56 HG LEU 56 10.371 -20.840 -20.840 435 1HD1 LEU 56 HD13 LEU 56 11.607 -22.970 -22.970 436 2HD1 LEU 56 HD12 LEU 56 11.285 -23.636 -23.636 437 3HD1 LEU 56 HD11 LEU 56 9.947 -23.115 -23.115 438 1HD2 LEU 56 HD22 LEU 56 10.947 -20.668 -20.668 439 2HD2 LEU 56 HD21 LEU 56 9.592 -21.716 -21.716 440 3HD2 LEU 56 HD23 LEU 56 11.165 -22.417 -22.417 441 H LYS 57 HN LYS 57 10.261 -19.938 -19.938 442 HA LYS 57 HA LYS 57 10.189 -22.162 -22.162 443 1HB LYS 57 HB2 LYS 57 8.169 -20.944 -20.944 444 2HB LYS 57 HB1 LYS 57 8.467 -19.663 -19.663 445 1HG LYS 57 HG2 LYS 57 7.171 -20.850 -20.850 446 2HG LYS 57 HG1 LYS 57 8.519 -21.979 -21.979 447 1HD LYS 57 HD2 LYS 57 6.329 -22.161 -22.161 448 2HD LYS 57 HD1 LYS 57 6.351 -23.089 -23.089 449 1HE LYS 57 HE2 LYS 57 8.400 -23.205 -23.205 450 2HE LYS 57 HE1 LYS 57 7.272 -24.474 -24.474 451 1HZ LYS 57 HZ1 LYS 57 9.406 -23.363 -23.363 452 2HZ LYS 57 HZ3 LYS 57 9.500 -24.834 -24.834 453 3HZ LYS 57 HZ2 LYS 57 8.349 -24.633 -24.633 454 H GLY 58 HN GLY 58 9.226 -19.268 -19.268 455 1HA GLY 58 HA2 GLY 58 11.258 -19.602 -19.602 456 2HA GLY 58 HA1 GLY 58 10.080 -18.285 -18.285 457 H ALA 59 HN ALA 59 11.154 -16.322 -16.322 458 HA ALA 59 HA ALA 59 12.641 -15.704 -15.704 459 1HB ALA 59 HB1 ALA 59 14.343 -16.706 -16.706 460 2HB ALA 59 HB3 ALA 59 14.968 -15.486 -15.486 461 3HB ALA 59 HB2 ALA 59 14.470 -17.063 -17.063 462 H ASP 60 HN ASP 60 11.191 -13.912 -13.912 463 HA ASP 60 HA ASP 60 11.734 -12.154 -12.154 464 1HB ASP 60 HB2 ASP 60 9.505 -12.358 -12.358 465 2HB ASP 60 HB1 ASP 60 10.266 -11.468 -11.468 466 H ILE 61 HN ILE 61 13.441 -13.039 -13.039 467 HA ILE 61 HA ILE 61 14.365 -10.870 -10.870 468 HB ILE 61 HB ILE 61 15.016 -13.317 -13.317 469 1HG1 ILE 61 HG12 ILE 61 17.132 -11.149 -11.149 470 2HG1 ILE 61 HG11 ILE 61 16.199 -11.770 -11.770 471 1HG2 ILE 61 HG21 ILE 61 15.635 -13.253 -13.253 472 2HG2 ILE 61 HG23 ILE 61 17.186 -12.646 -12.646 473 3HG2 ILE 61 HG22 ILE 61 16.615 -14.231 -14.231 474 1HD1 ILE 61 HD13 ILE 61 17.315 -14.079 -14.079 475 2HD1 ILE 61 HD12 ILE 61 18.559 -12.952 -12.952 476 3HD1 ILE 61 HD11 ILE 61 18.102 -13.007 -13.007 477 H ASN 62 HN ASN 62 14.914 -11.586 -11.586 478 HA ASN 62 HA ASN 62 16.645 -9.171 -9.171 479 1HB ASN 62 HB2 ASN 62 17.866 -10.463 -10.463 480 2HB ASN 62 HB1 ASN 62 18.171 -10.987 -10.987 481 1HD2 ASN 62 HD21 ASN 62 15.025 -11.884 -11.884 482 2HD2 ASN 62 HD22 ASN 62 15.308 -13.479 -13.479 483 H ALA 63 HN ALA 63 14.270 -11.232 -11.232 484 HA ALA 63 HA ALA 63 13.822 -10.636 -10.636 485 1HB ALA 63 HB3 ALA 63 11.846 -10.335 -10.335 486 2HB ALA 63 HB2 ALA 63 11.365 -10.127 -10.127 487 3HB ALA 63 HB1 ALA 63 12.044 -11.660 -11.660 488 HA PRO 64 HA PRO 64 11.898 -6.021 -6.021 489 1HB PRO 64 HB2 PRO 64 14.617 -5.576 -5.576 490 2HB PRO 64 HB1 PRO 64 13.067 -4.831 -4.831 491 1HG PRO 64 HG2 PRO 64 14.245 -7.074 -7.074 492 2HG PRO 64 HG1 PRO 64 12.577 -6.521 -6.521 493 1HD PRO 64 HD2 PRO 64 13.357 -8.972 -8.972 494 2HD PRO 64 HD1 PRO 64 11.750 -8.228 -8.228 495 H ASP 65 HN ASP 65 12.017 -4.701 -4.701 496 HA ASP 65 HA ASP 65 14.492 -4.400 -4.400 497 1HB ASP 65 HB2 ASP 65 11.776 -5.331 -5.331 498 2HB ASP 65 HB1 ASP 65 12.863 -4.488 -4.488 499 H LYS 66 HN LYS 66 11.104 -3.353 -3.353 500 HA LYS 66 HA LYS 66 11.699 -0.647 -0.647 501 1HB LYS 66 HB2 LYS 66 9.503 -2.066 -2.066 502 2HB LYS 66 HB1 LYS 66 9.144 -1.477 -1.477 503 1HG LYS 66 HG2 LYS 66 9.844 0.302 0.302 504 2HG LYS 66 HG1 LYS 66 8.215 -0.046 -0.046 505 1HD LYS 66 HD2 LYS 66 9.170 0.773 0.773 506 2HD LYS 66 HD1 LYS 66 10.332 1.607 1.607 507 1HE LYS 66 HE2 LYS 66 8.614 3.189 3.189 508 2HE LYS 66 HE1 LYS 66 8.243 2.423 2.423 509 1HZ LYS 66 HZ1 LYS 66 7.110 1.220 1.220 510 2HZ LYS 66 HZ3 LYS 66 6.448 2.695 2.695 511 3HZ LYS 66 HZ2 LYS 66 6.452 1.357 1.357 512 H HIS 67 HN HIS 67 11.295 -2.407 -2.407 513 HA HIS 67 HA HIS 67 11.046 -0.099 -0.099 514 1HB HIS 67 HB2 HIS 67 11.997 -2.830 -2.830 515 2HB HIS 67 HB1 HIS 67 10.979 -1.697 -1.697 516 HD1 HIS 67 HD1 HIS 67 9.343 -1.338 -1.338 517 HD2 HIS 67 HD2 HIS 67 9.729 -4.694 -4.694 518 HE1 HIS 67 HE1 HIS 67 7.405 -2.866 -2.866 519 H HIS 68 HN HIS 68 13.524 -1.244 -1.244 520 HA HIS 68 HA HIS 68 15.883 -1.225 -1.225 521 1HB HIS 68 HB2 HIS 68 15.134 1.126 1.126 522 2HB HIS 68 HB1 HIS 68 15.234 1.464 1.464 523 HD1 HIS 68 HD1 HIS 68 17.511 -0.051 -0.051 524 HD2 HIS 68 HD2 HIS 68 17.736 2.374 2.374 525 HE1 HIS 68 HE1 HIS 68 19.941 0.620 0.620 526 H ILE 69 HN ILE 69 14.491 -2.319 -2.319 527 HA ILE 69 HA ILE 69 16.864 -2.156 -2.156 528 HB ILE 69 HB ILE 69 14.801 -0.334 -0.334 529 1HG1 ILE 69 HG12 ILE 69 17.165 -0.122 -0.122 530 2HG1 ILE 69 HG11 ILE 69 16.116 0.121 0.121 531 1HG2 ILE 69 HG22 ILE 69 13.448 -2.193 -2.193 532 2HG2 ILE 69 HG21 ILE 69 14.761 -2.577 -2.577 533 3HG2 ILE 69 HG23 ILE 69 13.914 -1.041 -1.041 534 1HD1 ILE 69 HD11 ILE 69 16.482 -2.475 -2.475 535 2HD1 ILE 69 HD13 ILE 69 17.935 -2.188 -2.188 536 3HD1 ILE 69 HD12 ILE 69 17.692 -1.327 -1.327 537 H THR 70 HN THR 70 16.926 -3.703 -3.703 538 HA THR 70 HA THR 70 15.026 -5.942 -5.942 539 HB THR 70 HB THR 70 17.096 -6.860 -6.860 540 HG1 THR 70 HG1 THR 70 17.636 -8.078 -8.078 541 1HG2 THR 70 HG22 THR 70 18.182 -4.788 -4.788 542 2HG2 THR 70 HG21 THR 70 19.190 -6.057 -6.057 543 3HG2 THR 70 HG23 THR 70 18.401 -4.884 -4.884 544 HA PRO 71 HA PRO 71 13.493 -5.175 -5.175 545 1HB PRO 71 HB2 PRO 71 13.413 -7.981 -7.981 546 2HB PRO 71 HB1 PRO 71 12.074 -6.927 -6.927 547 1HG PRO 71 HG2 PRO 71 13.011 -9.031 -9.031 548 2HG PRO 71 HG1 PRO 71 12.169 -7.620 -7.620 549 1HD PRO 71 HD2 PRO 71 15.092 -8.248 -8.248 550 2HD PRO 71 HD1 PRO 71 14.118 -7.386 -7.386 551 H LEU 72 HN LEU 72 16.598 -6.903 -6.903 552 HA LEU 72 HA LEU 72 16.759 -7.161 -7.161 553 1HB LEU 72 HB2 LEU 72 19.311 -6.238 -6.238 554 2HB LEU 72 HB1 LEU 72 18.965 -7.672 -7.672 555 HG LEU 72 HG LEU 72 19.590 -8.576 -8.576 556 1HD1 LEU 72 HD12 LEU 72 16.847 -8.753 -8.753 557 2HD1 LEU 72 HD11 LEU 72 16.926 -8.524 -8.524 558 3HD1 LEU 72 HD13 LEU 72 17.798 -9.853 -9.853 559 1HD2 LEU 72 HD21 LEU 72 18.067 -6.342 -6.342 560 2HD2 LEU 72 HD23 LEU 72 19.817 -6.471 -6.471 561 3HD2 LEU 72 HD22 LEU 72 18.940 -7.633 -7.633 562 H LEU 73 HN LEU 73 17.355 -4.338 -4.338 563 HA LEU 73 HA LEU 73 18.227 -2.685 -2.685 564 1HB LEU 73 HB2 LEU 73 17.065 -1.786 -1.786 565 2HB LEU 73 HB1 LEU 73 17.995 -0.806 -0.806 566 HG LEU 73 HG LEU 73 19.784 -2.739 -2.739 567 1HD1 LEU 73 HD11 LEU 73 17.800 -3.428 -3.428 568 2HD1 LEU 73 HD13 LEU 73 19.314 -3.005 -3.005 569 3HD1 LEU 73 HD12 LEU 73 19.290 -4.273 -4.273 570 1HD2 LEU 73 HD21 LEU 73 19.206 -0.450 -0.450 571 2HD2 LEU 73 HD23 LEU 73 20.410 -0.557 -0.557 572 3HD2 LEU 73 HD22 LEU 73 20.632 -1.465 -1.465 573 H SER 74 HN SER 74 15.132 -3.640 -3.640 574 HA SER 74 HA SER 74 13.531 -1.561 -1.561 575 1HB SER 74 HB2 SER 74 12.676 -3.385 -3.385 576 2HB SER 74 HB1 SER 74 12.885 -4.516 -4.516 577 HG SER 74 HG SER 74 10.747 -3.706 -3.706 578 H ALA 75 HN ALA 75 14.656 -4.541 -4.541 579 HA ALA 75 HA ALA 75 13.435 -3.862 -3.862 580 1HB ALA 75 HB1 ALA 75 14.156 -6.179 -6.179 581 2HB ALA 75 HB3 ALA 75 15.802 -5.694 -5.694 582 3HB ALA 75 HB2 ALA 75 14.564 -5.756 -5.756 583 H VAL 76 HN VAL 76 16.626 -3.334 -3.334 584 HA VAL 76 HA VAL 76 18.170 -2.625 -2.625 585 HB VAL 76 HB VAL 76 17.941 -1.275 -1.275 586 1HG1 VAL 76 HG12 VAL 76 19.805 -0.772 -0.772 587 2HG1 VAL 76 HG11 VAL 76 20.372 -0.554 -0.554 588 3HG1 VAL 76 HG13 VAL 76 19.012 0.394 0.394 589 1HG2 VAL 76 HG21 VAL 76 19.839 -3.319 -3.319 590 2HG2 VAL 76 HG23 VAL 76 18.619 -3.622 -3.622 591 3HG2 VAL 76 HG22 VAL 76 20.015 -2.613 -2.613 592 H TYR 77 HN TYR 77 16.304 -0.105 -0.105 593 HA TYR 77 HA TYR 77 16.513 1.715 1.715 594 1HB TYR 77 HB2 TYR 77 14.323 2.102 2.102 595 2HB TYR 77 HB1 TYR 77 15.511 3.257 3.257 596 HD1 TYR 77 HD2 TYR 77 17.754 3.406 3.406 597 HD2 TYR 77 HD1 TYR 77 14.816 0.636 0.636 598 HE1 TYR 77 HE2 TYR 77 19.076 3.100 3.100 599 HE2 TYR 77 HE1 TYR 77 16.143 0.335 0.335 600 HH TYR 77 HH TYR 77 19.224 1.019 1.019 601 H GLU 78 HN GLU 78 15.456 -0.806 -0.806 602 HA GLU 78 HA GLU 78 12.697 0.010 0.010 603 1HB GLU 78 HB2 GLU 78 13.000 -2.020 -2.020 604 2HB GLU 78 HB1 GLU 78 13.518 -2.881 -2.881 605 1HG GLU 78 HG2 GLU 78 11.211 -3.285 -3.285 606 2HG GLU 78 HG1 GLU 78 11.346 -1.899 -1.899 607 H GLY 79 HN GLY 79 15.799 -1.371 -1.371 608 1HA GLY 79 HA2 GLY 79 16.748 -1.438 -1.438 609 2HA GLY 79 HA1 GLY 79 15.169 -0.989 -0.989 610 H HIS 80 HN HIS 80 14.526 -3.281 -3.281 611 HA HIS 80 HA HIS 80 14.104 -5.365 -5.365 612 1HB HIS 80 HB2 HIS 80 13.460 -4.956 -4.956 613 2HB HIS 80 HB1 HIS 80 13.501 -6.617 -6.617 614 HD1 HIS 80 HD1 HIS 80 11.228 -7.363 -7.363 615 HD2 HIS 80 HD2 HIS 80 11.794 -3.315 -3.315 616 HE1 HIS 80 HE1 HIS 80 9.064 -6.533 -6.533 617 H VAL 81 HN VAL 81 15.736 -5.256 -5.256 618 HA VAL 81 HA VAL 81 17.375 -6.709 -6.709 619 HB VAL 81 HB VAL 81 19.538 -6.240 -6.240 620 1HG1 VAL 81 HG11 VAL 81 17.976 -4.791 -4.791 621 2HG1 VAL 81 HG13 VAL 81 18.813 -3.648 -3.648 622 3HG1 VAL 81 HG12 VAL 81 19.729 -4.877 -4.877 623 1HG2 VAL 81 HG23 VAL 81 18.164 -5.489 -5.489 624 2HG2 VAL 81 HG22 VAL 81 19.298 -4.266 -4.266 625 3HG2 VAL 81 HG21 VAL 81 17.587 -4.135 -4.135 626 H SER 82 HN SER 82 15.620 -7.943 -7.943 627 HA SER 82 HA SER 82 17.427 -9.983 -9.983 628 1HB SER 82 HB2 SER 82 14.643 -9.173 -9.173 629 2HB SER 82 HB1 SER 82 14.745 -10.909 -10.909 630 HG SER 82 HG SER 82 15.032 -10.065 -10.065 631 H CYS 83 HN CYS 83 15.637 -9.155 -9.155 632 HA CYS 83 HA CYS 83 15.445 -11.822 -11.822 633 1HB CYS 83 HB2 CYS 83 14.605 -10.537 -10.537 634 2HB CYS 83 HB1 CYS 83 13.708 -10.195 -10.195 635 HG CYS 83 HG CYS 83 14.941 -8.079 -8.079 636 H VAL 84 HN VAL 84 17.185 -8.766 -8.766 637 HA VAL 84 HA VAL 84 18.735 -9.551 -9.551 638 HB VAL 84 HB VAL 84 20.609 -8.208 -8.208 639 1HG1 VAL 84 HG11 VAL 84 17.862 -7.025 -7.025 640 2HG1 VAL 84 HG13 VAL 84 19.350 -6.087 -6.087 641 3HG1 VAL 84 HG12 VAL 84 18.759 -7.000 -7.000 642 1HG2 VAL 84 HG21 VAL 84 19.000 -8.386 -8.386 643 2HG2 VAL 84 HG23 VAL 84 20.693 -8.814 -8.814 644 3HG2 VAL 84 HG22 VAL 84 20.194 -7.119 -7.119 645 H LYS 85 HN LYS 85 19.200 -10.477 -10.477 646 HA LYS 85 HA LYS 85 21.640 -11.818 -11.818 647 1HB LYS 85 HB2 LYS 85 19.535 -11.569 -11.569 648 2HB LYS 85 HB1 LYS 85 19.864 -13.289 -13.289 649 1HG LYS 85 HG2 LYS 85 21.356 -12.548 -12.548 650 2HG LYS 85 HG1 LYS 85 22.357 -12.656 -12.656 651 1HD LYS 85 HD2 LYS 85 21.735 -10.156 -10.156 652 2HD LYS 85 HD1 LYS 85 21.239 -10.191 -10.191 653 1HE LYS 85 HE2 LYS 85 23.539 -9.458 -9.458 654 2HE LYS 85 HE1 LYS 85 23.522 -11.104 -11.104 655 1HZ LYS 85 HZ2 LYS 85 23.707 -10.945 -10.945 656 2HZ LYS 85 HZ1 LYS 85 25.036 -10.266 -10.266 657 3HZ LYS 85 HZ3 LYS 85 24.605 -11.881 -11.881 658 H LEU 86 HN LEU 86 18.621 -13.782 -13.782 659 HA LEU 86 HA LEU 86 19.863 -15.982 -15.982 660 1HB LEU 86 HB2 LEU 86 17.641 -17.006 -17.006 661 2HB LEU 86 HB1 LEU 86 17.991 -16.460 -16.460 662 HG LEU 86 HG LEU 86 15.668 -15.995 -15.995 663 1HD1 LEU 86 HD13 LEU 86 17.041 -14.572 -14.572 664 2HD1 LEU 86 HD12 LEU 86 17.009 -13.353 -13.353 665 3HD1 LEU 86 HD11 LEU 86 15.502 -13.956 -13.956 666 1HD2 LEU 86 HD22 LEU 86 16.435 -15.415 -15.415 667 2HD2 LEU 86 HD21 LEU 86 15.144 -14.448 -14.448 668 3HD2 LEU 86 HD23 LEU 86 16.783 -13.811 -13.811 669 H LEU 87 HN LEU 87 19.178 -13.100 -13.100 670 HA LEU 87 HA LEU 87 17.982 -13.990 -13.990 671 1HB LEU 87 HB2 LEU 87 18.492 -11.530 -11.530 672 2HB LEU 87 HB1 LEU 87 19.402 -11.479 -11.479 673 HG LEU 87 HG LEU 87 16.495 -12.310 -12.310 674 1HD1 LEU 87 HD12 LEU 87 17.702 -9.610 -9.610 675 2HD1 LEU 87 HD11 LEU 87 16.006 -10.040 -10.040 676 3HD1 LEU 87 HD13 LEU 87 16.697 -9.990 -9.990 677 1HD2 LEU 87 HD22 LEU 87 18.447 -11.668 -11.668 678 2HD2 LEU 87 HD21 LEU 87 17.479 -13.127 -13.127 679 3HD2 LEU 87 HD23 LEU 87 16.704 -11.616 -11.616 680 H LEU 88 HN LEU 88 21.188 -12.338 -12.338 681 HA LEU 88 HA LEU 88 22.141 -13.306 -13.306 682 1HB LEU 88 HB2 LEU 88 24.392 -12.879 -12.879 683 2HB LEU 88 HB1 LEU 88 23.378 -11.607 -11.607 684 HG LEU 88 HG LEU 88 24.852 -12.213 -12.213 685 1HD1 LEU 88 HD13 LEU 88 22.384 -12.129 -12.129 686 2HD1 LEU 88 HD12 LEU 88 22.418 -13.892 -13.892 687 3HD1 LEU 88 HD11 LEU 88 23.408 -12.985 -12.985 688 1HD2 LEU 88 HD21 LEU 88 25.196 -14.584 -14.584 689 2HD2 LEU 88 HD23 LEU 88 25.721 -14.288 -14.288 690 3HD2 LEU 88 HD22 LEU 88 24.193 -15.110 -15.110 691 H SER 89 HN SER 89 21.396 -15.099 -15.099 692 HA SER 89 HA SER 89 23.209 -17.289 -17.289 693 1HB SER 89 HB2 SER 89 21.356 -16.878 -16.878 694 2HB SER 89 HB1 SER 89 20.259 -17.597 -17.597 695 HG SER 89 HG SER 89 22.103 -19.286 -19.286 696 H LYS 90 HN LYS 90 20.716 -16.058 -16.058 697 HA LYS 90 HA LYS 90 20.597 -18.511 -18.511 698 1HB LYS 90 HB2 LYS 90 18.817 -16.106 -16.106 699 2HB LYS 90 HB1 LYS 90 18.690 -17.085 -17.085 700 1HG LYS 90 HG2 LYS 90 18.058 -19.001 -19.001 701 2HG LYS 90 HG1 LYS 90 18.645 -18.370 -18.370 702 1HD LYS 90 HD2 LYS 90 16.475 -16.858 -16.858 703 2HD LYS 90 HD1 LYS 90 16.040 -18.362 -18.362 704 1HE LYS 90 HE2 LYS 90 17.546 -16.081 -16.081 705 2HE LYS 90 HE1 LYS 90 15.812 -16.356 -16.356 706 1HZ LYS 90 HZ1 LYS 90 16.395 -18.627 -18.627 707 2HZ LYS 90 HZ3 LYS 90 18.018 -18.136 -18.136 708 3HZ LYS 90 HZ2 LYS 90 16.863 -17.358 -17.358 709 H GLY 91 HN GLY 91 21.971 -15.392 -15.392 710 1HA GLY 91 HA2 GLY 91 23.802 -15.089 -15.089 711 2HA GLY 91 HA1 GLY 91 22.525 -15.377 -15.377 712 H ALA 92 HN ALA 92 21.055 -13.708 -13.708 713 HA ALA 92 HA ALA 92 20.496 -11.443 -11.443 714 1HB ALA 92 HB1 ALA 92 20.191 -12.187 -12.187 715 2HB ALA 92 HB3 ALA 92 20.673 -10.493 -10.493 716 3HB ALA 92 HB2 ALA 92 19.232 -11.045 -11.045 717 H ASP 93 HN ASP 93 23.559 -12.231 -12.231 718 HA ASP 93 HA ASP 93 25.535 -10.968 -10.968 719 1HB ASP 93 HB2 ASP 93 25.094 -10.751 -10.751 720 2HB ASP 93 HB1 ASP 93 24.269 -9.230 -9.230 721 H LYS 94 HN LYS 94 24.553 -7.909 -7.909 722 HA LYS 94 HA LYS 94 23.395 -7.082 -7.082 723 1HB LYS 94 HB2 LYS 94 25.673 -7.342 -7.342 724 2HB LYS 94 HB1 LYS 94 26.295 -6.425 -6.425 725 1HG LYS 94 HG2 LYS 94 26.208 -4.971 -4.971 726 2HG LYS 94 HG1 LYS 94 25.003 -4.455 -4.455 727 1HD LYS 94 HD2 LYS 94 23.980 -6.452 -6.452 728 2HD LYS 94 HD1 LYS 94 24.495 -4.950 -4.950 729 1HE LYS 94 HE2 LYS 94 23.104 -3.854 -3.854 730 2HE LYS 94 HE1 LYS 94 22.280 -5.412 -5.412 731 1HZ LYS 94 HZ3 LYS 94 22.243 -4.948 -4.948 732 2HZ LYS 94 HZ2 LYS 94 22.399 -3.330 -3.330 733 3HZ LYS 94 HZ1 LYS 94 21.079 -4.259 -4.259 734 H THR 95 HN THR 95 25.007 -6.247 -6.247 735 HA THR 95 HA THR 95 23.236 -3.839 -3.839 736 HB THR 95 HB THR 95 25.614 -3.672 -3.672 737 HG1 THR 95 HG1 THR 95 26.231 -3.473 -3.473 738 1HG2 THR 95 HG23 THR 95 24.062 -1.821 -1.821 739 2HG2 THR 95 HG22 THR 95 24.755 -1.971 -1.971 740 3HG2 THR 95 HG21 THR 95 25.774 -1.491 -1.491 741 H VAL 96 HN VAL 96 22.197 -6.161 -6.161 742 HA VAL 96 HA VAL 96 22.853 -6.863 -6.863 743 HB VAL 96 HB VAL 96 20.309 -7.378 -7.378 744 1HG1 VAL 96 HG13 VAL 96 21.476 -8.590 -8.590 745 2HG1 VAL 96 HG12 VAL 96 20.176 -9.343 -9.343 746 3HG1 VAL 96 HG11 VAL 96 19.927 -7.765 -7.765 747 1HG2 VAL 96 HG22 VAL 96 22.835 -9.030 -9.030 748 2HG2 VAL 96 HG21 VAL 96 22.259 -8.265 -8.265 749 3HG2 VAL 96 HG23 VAL 96 21.348 -9.594 -9.594 750 H LYS 97 HN LYS 97 20.859 -4.326 -4.326 751 HA LYS 97 HA LYS 97 20.270 -3.439 -3.439 752 1HB LYS 97 HB2 LYS 97 18.489 -5.227 -5.227 753 2HB LYS 97 HB1 LYS 97 17.734 -3.674 -3.674 754 1HG LYS 97 HG2 LYS 97 16.906 -4.282 -4.282 755 2HG LYS 97 HG1 LYS 97 18.164 -3.091 -3.091 756 1HD LYS 97 HD2 LYS 97 19.718 -4.755 -4.755 757 2HD LYS 97 HD1 LYS 97 18.751 -6.059 -6.059 758 1HE LYS 97 HE2 LYS 97 17.452 -4.359 -4.359 759 2HE LYS 97 HE1 LYS 97 18.701 -5.480 -5.480 760 1HZ LYS 97 HZ1 LYS 97 16.654 -6.475 -6.475 761 2HZ LYS 97 HZ3 LYS 97 16.212 -6.218 -6.218 762 3HZ LYS 97 HZ2 LYS 97 17.481 -7.285 -7.285 763 H GLY 98 HN GLY 98 20.968 -2.605 -2.605 764 1HA GLY 98 HA2 GLY 98 19.271 -0.249 -0.249 765 2HA GLY 98 HA1 GLY 98 20.717 -0.586 -0.586 766 HA PRO 99 HA PRO 99 21.291 2.847 2.847 767 1HB PRO 99 HB2 PRO 99 22.604 4.207 4.207 768 2HB PRO 99 HB1 PRO 99 21.285 4.784 4.784 769 1HG PRO 99 HG2 PRO 99 21.099 3.814 3.814 770 2HG PRO 99 HG1 PRO 99 19.771 4.342 4.342 771 1HD PRO 99 HD2 PRO 99 20.314 1.669 1.669 772 2HD PRO 99 HD1 PRO 99 19.112 2.173 2.173 773 H ASP 100 HN ASP 100 23.584 2.684 2.684 774 HA ASP 100 HA ASP 100 25.430 1.027 1.027 775 1HB ASP 100 HB2 ASP 100 25.843 3.324 3.324 776 2HB ASP 100 HB1 ASP 100 26.208 3.861 3.861 777 H GLY 101 HN GLY 101 27.304 2.818 2.818 778 1HA GLY 101 HA2 GLY 101 27.672 0.768 0.768 779 2HA GLY 101 HA1 GLY 101 28.253 2.421 2.421 780 H LEU 102 HN LEU 102 24.946 2.658 2.658 781 HA LEU 102 HA LEU 102 24.364 3.615 3.615 782 1HB LEU 102 HB2 LEU 102 22.813 3.740 3.740 783 2HB LEU 102 HB1 LEU 102 22.374 2.066 2.066 784 HG LEU 102 HG LEU 102 21.984 4.414 4.414 785 1HD1 LEU 102 HD13 LEU 102 20.155 2.809 2.809 786 2HD1 LEU 102 HD12 LEU 102 19.544 3.626 3.626 787 3HD1 LEU 102 HD11 LEU 102 20.292 4.563 4.563 788 1HD2 LEU 102 HD22 LEU 102 21.572 1.445 1.445 789 2HD2 LEU 102 HD21 LEU 102 22.316 2.587 2.587 790 3HD2 LEU 102 HD23 LEU 102 20.571 2.592 2.592 791 H THR 103 HN THR 103 23.198 0.447 0.447 792 HA THR 103 HA THR 103 22.453 -1.245 -1.245 793 HB THR 103 HB THR 103 24.381 -2.269 -2.269 794 HG1 THR 103 HG1 THR 103 25.300 -3.229 -3.229 795 1HG2 THR 103 HG23 THR 103 25.894 -0.120 -0.120 796 2HG2 THR 103 HG22 THR 103 26.693 -1.554 -1.554 797 3HG2 THR 103 HG21 THR 103 25.876 -0.432 -0.432 798 H ALA 104 HN ALA 104 25.057 -1.142 -1.142 799 HA ALA 104 HA ALA 104 23.353 -0.051 -0.051 800 1HB ALA 104 HB1 ALA 104 24.618 -2.248 -2.248 801 2HB ALA 104 HB3 ALA 104 26.097 -1.288 -1.288 802 3HB ALA 104 HB2 ALA 104 24.852 -1.109 -1.109 803 H LEU 105 HN LEU 105 26.210 0.864 0.864 804 HA LEU 105 HA LEU 105 27.494 2.586 2.586 805 1HB LEU 105 HB2 LEU 105 27.094 3.206 3.206 806 2HB LEU 105 HB1 LEU 105 28.437 3.675 3.675 807 HG LEU 105 HG LEU 105 27.755 0.894 0.894 808 1HD1 LEU 105 HD12 LEU 105 28.997 2.476 2.476 809 2HD1 LEU 105 HD11 LEU 105 30.263 2.566 2.566 810 3HD1 LEU 105 HD13 LEU 105 29.916 1.031 1.031 811 1HD2 LEU 105 HD22 LEU 105 29.669 1.853 1.853 812 2HD2 LEU 105 HD21 LEU 105 28.461 0.574 0.574 813 3HD2 LEU 105 HD23 LEU 105 29.916 0.327 0.327 814 H GLU 106 HN GLU 106 25.331 3.854 3.854 815 HA GLU 106 HA GLU 106 25.064 6.341 6.341 816 1HB GLU 106 HB2 GLU 106 23.519 5.361 5.361 817 2HB GLU 106 HB1 GLU 106 23.701 7.033 7.033 818 1HG GLU 106 HG2 GLU 106 25.972 5.219 5.219 819 2HG GLU 106 HG1 GLU 106 25.238 6.466 6.466 820 H ALA 107 HN ALA 107 23.521 3.367 3.367 821 HA ALA 107 HA ALA 107 20.850 4.392 4.392 822 1HB ALA 107 HB1 ALA 107 22.098 1.747 1.747 823 2HB ALA 107 HB3 ALA 107 20.383 2.134 2.134 824 3HB ALA 107 HB2 ALA 107 21.171 2.068 2.068 825 H THR 108 HN THR 108 23.590 3.415 3.415 826 HA THR 108 HA THR 108 22.310 5.008 5.008 827 HB THR 108 HB THR 108 21.157 2.842 2.842 828 HG1 THR 108 HG1 THR 108 22.347 2.216 2.216 829 1HG2 THR 108 HG23 THR 108 23.748 1.910 1.910 830 2HG2 THR 108 HG22 THR 108 23.379 1.226 1.226 831 3HG2 THR 108 HG21 THR 108 22.292 0.943 0.943 832 H ASP 109 HN ASP 109 23.479 3.760 3.760 833 HA ASP 109 HA ASP 109 26.386 3.664 3.664 834 1HB ASP 109 HB2 ASP 109 25.938 6.051 6.051 835 2HB ASP 109 HB1 ASP 109 25.030 5.569 5.569 836 H ASN 110 HN ASN 110 23.588 2.377 2.377 837 HA ASN 110 HA ASN 110 24.510 1.500 1.500 838 1HB ASN 110 HB2 ASN 110 22.554 -0.138 -0.138 839 2HB ASN 110 HB1 ASN 110 22.118 1.563 1.563 840 1HD2 ASN 110 HD21 ASN 110 23.473 -0.657 -0.657 841 2HD2 ASN 110 HD22 ASN 110 22.268 -0.375 -0.375 842 H GLN 111 HN GLN 111 25.703 -0.310 -0.310 843 HA GLN 111 HA GLN 111 27.094 -1.497 -1.497 844 1HB GLN 111 HB2 GLN 111 28.308 -1.216 -1.216 845 2HB GLN 111 HB1 GLN 111 27.069 -2.003 -2.003 846 1HG GLN 111 HG2 GLN 111 27.633 -4.148 -4.148 847 2HG GLN 111 HG1 GLN 111 28.524 -3.484 -3.484 848 1HE2 GLN 111 HE21 GLN 111 29.225 -5.146 -5.146 849 2HE2 GLN 111 HE22 GLN 111 30.654 -4.387 -4.387 850 H ALA 112 HN ALA 112 23.991 -2.170 -2.170 851 HA ALA 112 HA ALA 112 24.134 -5.093 -5.093 852 1HB ALA 112 HB1 ALA 112 21.800 -3.207 -3.207 853 2HB ALA 112 HB3 ALA 112 21.662 -4.958 -4.958 854 3HB ALA 112 HB2 ALA 112 22.225 -3.990 -3.990 855 H ILE 113 HN ILE 113 22.989 -2.594 -2.594 856 HA ILE 113 HA ILE 113 22.688 -4.280 -4.280 857 HB ILE 113 HB ILE 113 22.800 -1.294 -1.294 858 1HG1 ILE 113 HG12 ILE 113 20.359 -2.691 -2.691 859 2HG1 ILE 113 HG11 ILE 113 20.931 -3.170 -3.170 860 1HG2 ILE 113 HG23 ILE 113 23.176 -2.639 -2.639 861 2HG2 ILE 113 HG22 ILE 113 21.468 -2.220 -2.220 862 3HG2 ILE 113 HG21 ILE 113 22.674 -0.955 -0.955 863 1HD1 ILE 113 HD13 ILE 113 20.856 -0.245 -0.245 864 2HD1 ILE 113 HD12 ILE 113 19.307 -1.059 -1.059 865 3HD1 ILE 113 HD11 ILE 113 20.507 -1.130 -1.130 866 H LYS 114 HN LYS 114 25.137 -1.945 -1.945 867 HA LYS 114 HA LYS 114 26.754 -2.077 -2.077 868 1HB LYS 114 HB2 LYS 114 27.889 -1.928 -1.928 869 2HB LYS 114 HB1 LYS 114 28.545 -1.199 -1.199 870 1HG LYS 114 HG2 LYS 114 25.790 -0.324 -0.324 871 2HG LYS 114 HG1 LYS 114 26.884 0.077 0.077 872 1HD LYS 114 HD2 LYS 114 26.807 1.895 1.895 873 2HD LYS 114 HD1 LYS 114 28.412 1.177 1.177 874 1HE LYS 114 HE2 LYS 114 26.446 0.091 0.091 875 2HE LYS 114 HE1 LYS 114 27.209 1.643 1.643 876 1HZ LYS 114 HZ2 LYS 114 29.317 0.245 0.245 877 2HZ LYS 114 HZ1 LYS 114 28.383 -1.013 -1.013 878 3HZ LYS 114 HZ3 LYS 114 28.801 0.318 0.318 879 H ALA 115 HN ALA 115 25.870 -4.461 -4.461 880 HA ALA 115 HA ALA 115 28.175 -6.170 -6.170 881 1HB ALA 115 HB3 ALA 115 26.111 -6.298 -6.298 882 2HB ALA 115 HB2 ALA 115 25.359 -7.197 -7.197 883 3HB ALA 115 HB1 ALA 115 26.829 -7.808 -7.808 884 H LEU 116 HN LEU 116 25.244 -5.928 -5.928 885 HA LEU 116 HA LEU 116 25.930 -8.186 -8.186 886 1HB LEU 116 HB2 LEU 116 24.097 -5.840 -5.840 887 2HB LEU 116 HB1 LEU 116 24.580 -6.649 -6.649 888 HG LEU 116 HG LEU 116 23.096 -7.838 -7.838 889 1HD1 LEU 116 HD11 LEU 116 22.521 -7.318 -7.318 890 2HD1 LEU 116 HD13 LEU 116 21.586 -8.493 -8.493 891 3HD1 LEU 116 HD12 LEU 116 21.596 -6.798 -6.798 892 1HD2 LEU 116 HD21 LEU 116 24.680 -9.171 -9.171 893 2HD2 LEU 116 HD23 LEU 116 24.430 -9.683 -9.683 894 3HD2 LEU 116 HD22 LEU 116 23.149 -9.900 -9.900 895 H LEU 117 HN LEU 117 27.309 -5.140 -5.140 896 HA LEU 117 HA LEU 117 28.434 -4.886 -4.886 897 1HB LEU 117 HB2 LEU 117 28.157 -3.182 -3.182 898 2HB LEU 117 HB1 LEU 117 29.885 -3.511 -3.511 899 HG LEU 117 HG LEU 117 29.288 -1.509 -1.509 900 1HD1 LEU 117 HD12 LEU 117 31.127 -3.225 -3.225 901 2HD1 LEU 117 HD11 LEU 117 30.029 -3.669 -3.669 902 3HD1 LEU 117 HD13 LEU 117 30.642 -2.020 -2.020 903 1HD2 LEU 117 HD23 LEU 117 27.047 -2.995 -2.995 904 2HD2 LEU 117 HD22 LEU 117 27.546 -1.454 -1.454 905 3HD2 LEU 117 HD21 LEU 117 28.031 -2.965 -2.965 906 H GLN 118 HN GLN 118 29.535 -5.791 -5.791 907 HA GLN 118 HA GLN 118 31.700 -6.651 -6.651 908 1HB GLN 118 HB2 GLN 118 31.463 -9.122 -9.122 909 2HB GLN 118 HB1 GLN 118 30.081 -8.379 -8.379 910 1HG GLN 118 HG2 GLN 118 29.160 -9.743 -9.743 911 2HG GLN 118 HG1 GLN 118 29.090 -8.110 -8.110 912 1HE2 GLN 118 HE21 GLN 118 29.821 -7.995 -7.995 913 2HE2 GLN 118 HE22 GLN 118 31.007 -9.001 -9.001 Start of MODEL 36 1 1H MET 1 HT1 MET 1 -11.341 -9.204 -9.204 2 2H MET 1 HT3 MET 1 -11.719 -7.555 -7.555 3 3H MET 1 HT2 MET 1 -10.132 -8.086 -8.086 4 HA MET 1 HA MET 1 -11.114 -7.657 -7.657 5 1HB MET 1 HB2 MET 1 -13.473 -7.864 -7.864 6 2HB MET 1 HB1 MET 1 -13.300 -9.607 -9.607 7 1HG MET 1 HG2 MET 1 -12.623 -9.003 -9.003 8 2HG MET 1 HG1 MET 1 -13.403 -7.459 -7.459 9 1HE MET 1 HE1 MET 1 -15.537 -7.359 -7.359 10 2HE MET 1 HE3 MET 1 -16.986 -8.168 -8.168 11 3HE MET 1 HE2 MET 1 -16.034 -7.133 -7.133 12 H CYS 2 HN CYS 2 -8.973 -9.027 -9.027 13 HA CYS 2 HA CYS 2 -9.307 -11.479 -11.479 14 1HB CYS 2 HB2 CYS 2 -8.171 -11.485 -11.485 15 2HB CYS 2 HB1 CYS 2 -7.943 -12.805 -12.805 16 HG CYS 2 HG CYS 2 -10.769 -12.653 -12.653 17 H ASP 3 HN ASP 3 -7.263 -9.095 -9.095 18 HA ASP 3 HA ASP 3 -4.723 -9.878 -9.878 19 1HB ASP 3 HB2 ASP 3 -5.714 -7.023 -7.023 20 2HB ASP 3 HB1 ASP 3 -4.063 -7.584 -7.584 21 H LYS 4 HN LYS 4 -7.269 -8.258 -8.258 22 HA LYS 4 HA LYS 4 -5.943 -7.414 -7.414 23 1HB LYS 4 HB2 LYS 4 -8.606 -8.847 -8.847 24 2HB LYS 4 HB1 LYS 4 -8.031 -7.960 -7.960 25 1HG LYS 4 HG2 LYS 4 -7.749 -5.940 -5.940 26 2HG LYS 4 HG1 LYS 4 -8.609 -6.851 -6.851 27 1HD LYS 4 HD2 LYS 4 -10.587 -6.994 -6.994 28 2HD LYS 4 HD1 LYS 4 -9.740 -6.396 -6.396 29 1HE LYS 4 HE2 LYS 4 -10.189 -4.806 -4.806 30 2HE LYS 4 HE1 LYS 4 -11.134 -4.636 -4.636 31 1HZ LYS 4 HZ3 LYS 4 -8.961 -4.193 -4.193 32 2HZ LYS 4 HZ2 LYS 4 -8.256 -4.063 -4.063 33 3HZ LYS 4 HZ1 LYS 4 -9.481 -2.984 -2.984 34 H GLU 5 HN GLU 5 -7.571 -10.614 -10.614 35 HA GLU 5 HA GLU 5 -6.297 -11.671 -11.671 36 1HB GLU 5 HB2 GLU 5 -8.088 -12.815 -12.815 37 2HB GLU 5 HB1 GLU 5 -6.884 -13.224 -13.224 38 1HG GLU 5 HG2 GLU 5 -5.686 -14.629 -14.629 39 2HG GLU 5 HG1 GLU 5 -6.576 -14.010 -14.010 40 H PHE 6 HN PHE 6 -5.105 -12.106 -12.106 41 HA PHE 6 HA PHE 6 -2.643 -13.346 -13.346 42 1HB PHE 6 HB2 PHE 6 -3.698 -13.131 -13.131 43 2HB PHE 6 HB1 PHE 6 -3.168 -11.452 -11.452 44 HD1 PHE 6 HD2 PHE 6 -1.696 -14.831 -14.831 45 HD2 PHE 6 HD1 PHE 6 -1.181 -11.035 -11.035 46 HE1 PHE 6 HE2 PHE 6 0.517 -15.557 -15.557 47 HE2 PHE 6 HE1 PHE 6 1.026 -11.772 -11.772 48 HZ PHE 6 HZ PHE 6 1.877 -14.029 -14.029 49 H MET 7 HN MET 7 -3.113 -9.897 -9.897 50 HA MET 7 HA MET 7 -0.503 -9.028 -9.028 51 1HB MET 7 HB2 MET 7 -1.950 -7.662 -7.662 52 2HB MET 7 HB1 MET 7 -3.154 -7.593 -7.593 53 1HG MET 7 HG2 MET 7 -1.822 -6.182 -6.182 54 2HG MET 7 HG1 MET 7 -0.355 -6.566 -6.566 55 1HE MET 7 HE2 MET 7 -3.989 -5.443 -5.443 56 2HE MET 7 HE1 MET 7 -3.905 -4.390 -4.390 57 3HE MET 7 HE3 MET 7 -3.598 -6.122 -6.122 58 H TRP 8 HN TRP 8 -3.552 -8.784 -8.784 59 HA TRP 8 HA TRP 8 -2.513 -7.649 -7.649 60 1HB TRP 8 HB2 TRP 8 -4.952 -8.313 -8.313 61 2HB TRP 8 HB1 TRP 8 -4.535 -9.879 -9.879 62 HD1 TRP 8 HD1 TRP 8 -4.108 -10.015 -10.015 63 HE1 TRP 8 HE1 TRP 8 -4.541 -8.387 -8.387 64 HE3 TRP 8 HE3 TRP 8 -5.025 -5.728 -5.728 65 HZ2 TRP 8 HZ2 TRP 8 -5.187 -5.635 -5.635 66 HZ3 TRP 8 HZ3 TRP 8 -5.546 -3.617 -3.617 67 HH2 TRP 8 HH2 TRP 8 -5.629 -3.564 -3.564 68 H ALA 9 HN ALA 9 -2.191 -10.989 -10.989 69 HA ALA 9 HA ALA 9 -1.092 -11.894 -11.894 70 1HB ALA 9 HB1 ALA 9 -2.216 -13.435 -13.435 71 2HB ALA 9 HB3 ALA 9 -0.907 -13.151 -13.151 72 3HB ALA 9 HB2 ALA 9 -0.576 -13.959 -13.959 73 H LEU 10 HN LEU 10 0.262 -11.336 -11.336 74 HA LEU 10 HA LEU 10 2.970 -11.639 -11.639 75 1HB LEU 10 HB2 LEU 10 1.393 -9.488 -9.488 76 2HB LEU 10 HB1 LEU 10 3.148 -9.443 -9.443 77 HG LEU 10 HG LEU 10 1.921 -12.049 -12.049 78 1HD1 LEU 10 HD11 LEU 10 1.485 -9.532 -9.532 79 2HD1 LEU 10 HD13 LEU 10 1.800 -11.035 -11.035 80 3HD1 LEU 10 HD12 LEU 10 0.419 -10.921 -10.921 81 1HD2 LEU 10 HD22 LEU 10 4.428 -11.287 -11.287 82 2HD2 LEU 10 HD21 LEU 10 3.833 -12.239 -12.239 83 3HD2 LEU 10 HD23 LEU 10 4.013 -10.492 -10.492 84 H LYS 11 HN LYS 11 0.967 -9.023 -9.023 85 HA LYS 11 HA LYS 11 3.135 -7.464 -7.464 86 1HB LYS 11 HB2 LYS 11 1.465 -6.232 -6.232 87 2HB LYS 11 HB1 LYS 11 0.189 -7.228 -7.228 88 1HG LYS 11 HG2 LYS 11 0.301 -4.911 -4.911 89 2HG LYS 11 HG1 LYS 11 0.412 -6.185 -6.185 90 1HD LYS 11 HD2 LYS 11 2.951 -5.908 -5.908 91 2HD LYS 11 HD1 LYS 11 2.666 -4.479 -4.479 92 1HE LYS 11 HE2 LYS 11 1.447 -3.400 -3.400 93 2HE LYS 11 HE1 LYS 11 1.435 -4.879 -4.879 94 1HZ LYS 11 HZ1 LYS 11 3.993 -3.685 -3.685 95 2HZ LYS 11 HZ3 LYS 11 3.176 -3.064 -3.064 96 3HZ LYS 11 HZ2 LYS 11 3.667 -4.691 -4.691 97 H ASN 12 HN ASN 12 0.036 -8.737 -8.737 98 HA ASN 12 HA ASN 12 0.904 -8.229 -8.229 99 1HB ASN 12 HB2 ASN 12 -1.473 -8.237 -8.237 100 2HB ASN 12 HB1 ASN 12 -1.384 -9.991 -9.991 101 1HD2 ASN 12 HD21 ASN 12 -2.644 -10.648 -10.648 102 2HD2 ASN 12 HD22 ASN 12 -2.329 -10.165 -10.165 103 H GLY 13 HN GLY 13 2.544 -10.122 -10.122 104 1HA GLY 13 HA2 GLY 13 3.746 -12.082 -12.082 105 2HA GLY 13 HA1 GLY 13 3.356 -11.790 -11.790 106 H ASP 14 HN ASP 14 0.505 -12.216 -12.216 107 HA ASP 14 HA ASP 14 -0.052 -14.699 -14.699 108 1HB ASP 14 HB2 ASP 14 -1.587 -13.924 -13.924 109 2HB ASP 14 HB1 ASP 14 -2.144 -14.635 -14.635 110 H LEU 15 HN LEU 15 2.174 -15.192 -15.192 111 HA LEU 15 HA LEU 15 2.713 -15.965 -15.965 112 1HB LEU 15 HB2 LEU 15 4.317 -15.847 -15.847 113 2HB LEU 15 HB1 LEU 15 3.573 -17.235 -17.235 114 HG LEU 15 HG LEU 15 5.738 -17.585 -17.585 115 1HD1 LEU 15 HD12 LEU 15 3.957 -19.355 -19.355 116 2HD1 LEU 15 HD11 LEU 15 3.583 -19.425 -19.425 117 3HD1 LEU 15 HD13 LEU 15 5.208 -19.794 -19.794 118 1HD2 LEU 15 HD21 LEU 15 4.820 -16.235 -16.235 119 2HD2 LEU 15 HD23 LEU 15 5.593 -17.765 -17.765 120 3HD2 LEU 15 HD22 LEU 15 3.838 -17.647 -17.647 121 H ASP 16 HN ASP 16 0.759 -17.591 -17.591 122 HA ASP 16 HA ASP 16 0.573 -20.155 -20.155 123 1HB ASP 16 HB2 ASP 16 -1.540 -18.589 -18.589 124 2HB ASP 16 HB1 ASP 16 -1.521 -20.331 -20.331 125 H GLU 17 HN GLU 17 -1.050 -17.097 -17.097 126 HA GLU 17 HA GLU 17 -3.018 -18.308 -18.308 127 1HB GLU 17 HB2 GLU 17 -2.241 -15.552 -15.552 128 2HB GLU 17 HB1 GLU 17 -3.064 -15.699 -15.699 129 1HG GLU 17 HG2 GLU 17 -4.591 -15.332 -15.332 130 2HG GLU 17 HG1 GLU 17 -4.965 -16.762 -16.762 131 H VAL 18 HN VAL 18 -0.010 -16.439 -16.439 132 HA VAL 18 HA VAL 18 -0.215 -16.609 -16.609 133 HB VAL 18 HB VAL 18 2.516 -16.496 -16.496 134 1HG1 VAL 18 HG13 VAL 18 0.987 -14.823 -14.823 135 2HG1 VAL 18 HG12 VAL 18 0.807 -14.046 -14.046 136 3HG1 VAL 18 HG11 VAL 18 2.402 -14.189 -14.189 137 1HG2 VAL 18 HG22 VAL 18 1.807 -16.655 -16.655 138 2HG2 VAL 18 HG21 VAL 18 3.000 -15.454 -15.454 139 3HG2 VAL 18 HG23 VAL 18 1.331 -14.966 -14.966 140 H LYS 19 HN LYS 19 0.949 -18.744 -18.744 141 HA LYS 19 HA LYS 19 2.469 -20.519 -20.519 142 1HB LYS 19 HB2 LYS 19 2.320 -20.411 -20.411 143 2HB LYS 19 HB1 LYS 19 0.770 -21.236 -21.236 144 1HG LYS 19 HG2 LYS 19 1.738 -23.229 -23.229 145 2HG LYS 19 HG1 LYS 19 3.188 -22.426 -22.426 146 1HD LYS 19 HD2 LYS 19 2.604 -22.294 -22.294 147 2HD LYS 19 HD1 LYS 19 3.242 -23.796 -23.796 148 1HE LYS 19 HE2 LYS 19 5.202 -22.679 -22.679 149 2HE LYS 19 HE1 LYS 19 4.530 -21.093 -21.093 150 1HZ LYS 19 HZ3 LYS 19 4.490 -21.797 -21.797 151 2HZ LYS 19 HZ2 LYS 19 5.329 -23.207 -23.207 152 3HZ LYS 19 HZ1 LYS 19 6.052 -21.684 -21.684 153 H ASP 20 HN ASP 20 -0.968 -20.198 -20.198 154 HA ASP 20 HA ASP 20 -1.686 -22.701 -22.701 155 1HB ASP 20 HB2 ASP 20 -3.130 -21.205 -21.205 156 2HB ASP 20 HB1 ASP 20 -3.398 -20.214 -20.214 157 H TYR 21 HN TYR 21 -1.238 -19.397 -19.397 158 HA TYR 21 HA TYR 21 -2.281 -19.736 -19.736 159 1HB TYR 21 HB2 TYR 21 -0.241 -17.898 -17.898 160 2HB TYR 21 HB1 TYR 21 -0.475 -17.881 -17.881 161 HD1 TYR 21 HD1 TYR 21 -2.598 -18.029 -18.029 162 HD2 TYR 21 HD2 TYR 21 -2.013 -16.323 -16.323 163 HE1 TYR 21 HE1 TYR 21 -4.637 -16.656 -16.656 164 HE2 TYR 21 HE2 TYR 21 -4.054 -14.948 -14.948 165 HH TYR 21 HH TYR 21 -6.265 -15.481 -15.481 166 H VAL 22 HN VAL 22 1.245 -19.739 -19.739 167 HA VAL 22 HA VAL 22 1.894 -20.784 -20.784 168 HB VAL 22 HB VAL 22 3.436 -19.652 -19.652 169 1HG1 VAL 22 HG11 VAL 22 3.106 -21.714 -21.714 170 2HG1 VAL 22 HG13 VAL 22 4.194 -22.546 -22.546 171 3HG1 VAL 22 HG12 VAL 22 4.755 -21.131 -21.131 172 1HG2 VAL 22 HG23 VAL 22 4.038 -20.283 -20.283 173 2HG2 VAL 22 HG22 VAL 22 5.376 -20.441 -20.441 174 3HG2 VAL 22 HG21 VAL 22 4.503 -21.874 -21.874 175 H ALA 23 HN ALA 23 0.546 -22.309 -22.309 176 HA ALA 23 HA ALA 23 1.568 -24.936 -24.936 177 1HB ALA 23 HB2 ALA 23 -0.174 -23.923 -23.923 178 2HB ALA 23 HB1 ALA 23 -1.365 -24.372 -24.372 179 3HB ALA 23 HB3 ALA 23 -0.358 -25.611 -25.611 180 H LYS 24 HN LYS 24 -0.662 -23.100 -23.100 181 HA LYS 24 HA LYS 24 -1.849 -25.166 -25.166 182 1HB LYS 24 HB2 LYS 24 -1.321 -22.257 -22.257 183 2HB LYS 24 HB1 LYS 24 -1.953 -23.265 -23.265 184 1HG LYS 24 HG2 LYS 24 -3.965 -23.699 -23.699 185 2HG LYS 24 HG1 LYS 24 -3.261 -23.421 -23.421 186 1HD LYS 24 HD2 LYS 24 -4.761 -21.586 -21.586 187 2HD LYS 24 HD1 LYS 24 -3.095 -21.025 -21.025 188 1HE LYS 24 HE2 LYS 24 -2.846 -21.102 -21.102 189 2HE LYS 24 HE1 LYS 24 -4.457 -21.797 -21.797 190 1HZ LYS 24 HZ3 LYS 24 -3.839 -19.121 -19.121 191 2HZ LYS 24 HZ2 LYS 24 -4.465 -19.414 -19.414 192 3HZ LYS 24 HZ1 LYS 24 -5.391 -19.783 -19.783 193 H GLY 25 HN GLY 25 0.447 -22.996 -22.996 194 1HA GLY 25 HA2 GLY 25 2.267 -25.177 -25.177 195 2HA GLY 25 HA1 GLY 25 1.264 -24.719 -24.719 196 H GLU 26 HN GLU 26 3.686 -23.591 -23.591 197 HA GLU 26 HA GLU 26 4.996 -21.620 -21.620 198 1HB GLU 26 HB2 GLU 26 6.404 -21.678 -21.678 199 2HB GLU 26 HB1 GLU 26 6.518 -23.012 -23.012 200 1HG GLU 26 HG2 GLU 26 4.958 -24.340 -24.340 201 2HG GLU 26 HG1 GLU 26 4.669 -22.985 -22.985 202 H ASP 27 HN ASP 27 3.980 -19.713 -19.713 203 HA ASP 27 HA ASP 27 3.645 -18.308 -18.308 204 1HB ASP 27 HB2 ASP 27 1.423 -18.584 -18.584 205 2HB ASP 27 HB1 ASP 27 1.390 -17.463 -17.463 206 H VAL 28 HN VAL 28 5.669 -18.010 -18.010 207 HA VAL 28 HA VAL 28 5.017 -15.829 -15.829 208 HB VAL 28 HB VAL 28 7.372 -16.189 -16.189 209 1HG1 VAL 28 HG12 VAL 28 5.503 -18.559 -18.559 210 2HG1 VAL 28 HG11 VAL 28 6.843 -18.475 -18.475 211 3HG1 VAL 28 HG13 VAL 28 5.494 -17.348 -17.348 212 1HG2 VAL 28 HG22 VAL 28 7.875 -17.244 -17.244 213 2HG2 VAL 28 HG21 VAL 28 8.780 -17.722 -17.722 214 3HG2 VAL 28 HG23 VAL 28 7.457 -18.733 -18.733 215 H ASN 29 HN ASN 29 4.529 -14.515 -14.515 216 HA ASN 29 HA ASN 29 6.454 -12.488 -12.488 217 1HB ASN 29 HB2 ASN 29 6.754 -12.976 -12.976 218 2HB ASN 29 HB1 ASN 29 7.794 -13.811 -13.811 219 1HD2 ASN 29 HD21 ASN 29 7.132 -16.081 -16.081 220 2HD2 ASN 29 HD22 ASN 29 6.226 -16.986 -16.986 221 H ARG 30 HN ARG 30 3.747 -12.594 -12.594 222 HA ARG 30 HA ARG 30 2.351 -11.622 -11.622 223 1HB ARG 30 HB2 ARG 30 1.202 -12.575 -12.575 224 2HB ARG 30 HB1 ARG 30 0.268 -12.045 -12.045 225 1HG ARG 30 HG2 ARG 30 1.471 -13.866 -13.866 226 2HG ARG 30 HG1 ARG 30 2.067 -14.468 -14.468 227 1HD ARG 30 HD2 ARG 30 0.110 -15.536 -15.536 228 2HD ARG 30 HD1 ARG 30 -0.799 -14.043 -14.043 229 HE ARG 30 HE ARG 30 -0.778 -16.204 -16.204 230 1HH1 ARG 30 HH21 ARG 30 -0.299 -12.785 -12.785 231 2HH1 ARG 30 HH22 ARG 30 -0.683 -12.624 -12.624 232 1HH2 ARG 30 HH11 ARG 30 -1.281 -16.002 -16.002 233 2HH2 ARG 30 HH12 ARG 30 -1.237 -14.442 -14.442 234 H THR 31 HN THR 31 2.257 -9.429 -9.429 235 HA THR 31 HA THR 31 2.825 -7.707 -7.707 236 HB THR 31 HB THR 31 1.391 -7.157 -7.157 237 HG1 THR 31 HG1 THR 31 3.635 -5.928 -5.928 238 1HG2 THR 31 HG21 THR 31 2.200 -5.349 -5.349 239 2HG2 THR 31 HG23 THR 31 2.074 -4.738 -4.738 240 3HG2 THR 31 HG22 THR 31 0.659 -5.424 -5.424 241 H LEU 32 HN LEU 32 1.458 -8.197 -8.197 242 HA LEU 32 HA LEU 32 -1.411 -8.421 -8.421 243 1HB LEU 32 HB2 LEU 32 -1.594 -8.716 -8.716 244 2HB LEU 32 HB1 LEU 32 -0.240 -9.662 -9.662 245 HG LEU 32 HG LEU 32 0.423 -8.638 -8.638 246 1HD1 LEU 32 HD11 LEU 32 2.095 -8.634 -8.634 247 2HD1 LEU 32 HD13 LEU 32 1.704 -6.931 -6.931 248 3HD1 LEU 32 HD12 LEU 32 2.398 -7.456 -7.456 249 1HD2 LEU 32 HD23 LEU 32 -1.342 -6.638 -6.638 250 2HD2 LEU 32 HD22 LEU 32 -0.065 -6.543 -6.543 251 3HD2 LEU 32 HD21 LEU 32 0.174 -5.812 -5.812 252 H GLU 33 HN GLU 33 0.755 -5.783 -5.783 253 HA GLU 33 HA GLU 33 -1.356 -4.013 -4.013 254 1HB GLU 33 HB2 GLU 33 0.943 -3.640 -3.640 255 2HB GLU 33 HB1 GLU 33 1.461 -3.413 -3.413 256 1HG GLU 33 HG2 GLU 33 0.753 -1.238 -1.238 257 2HG GLU 33 HG1 GLU 33 -0.799 -1.657 -1.657 258 H GLY 34 HN GLY 34 0.763 -2.952 -2.952 259 1HA GLY 34 HA2 GLY 34 -1.332 -3.070 -3.070 260 2HA GLY 34 HA1 GLY 34 -0.937 -1.447 -1.447 261 H GLY 35 HN GLY 35 1.849 -2.367 -2.367 262 1HA GLY 35 HA2 GLY 35 2.979 -3.005 -3.005 263 2HA GLY 35 HA1 GLY 35 3.266 -1.344 -1.344 264 H ARG 36 HN ARG 36 2.959 -3.721 -3.721 265 HA ARG 36 HA ARG 36 5.920 -3.628 -3.628 266 1HB ARG 36 HB2 ARG 36 3.756 -3.990 -3.990 267 2HB ARG 36 HB1 ARG 36 5.472 -3.690 -3.690 268 1HG ARG 36 HG2 ARG 36 4.956 -1.522 -1.522 269 2HG ARG 36 HG1 ARG 36 3.326 -1.782 -1.782 270 1HD ARG 36 HD2 ARG 36 4.748 -2.037 -2.037 271 2HD ARG 36 HD1 ARG 36 5.788 -0.911 -0.911 272 HE ARG 36 HE ARG 36 3.390 -0.222 -0.222 273 1HH1 ARG 36 HH21 ARG 36 4.762 0.163 0.163 274 2HH1 ARG 36 HH22 ARG 36 3.784 1.541 1.541 275 1HH2 ARG 36 HH11 ARG 36 2.155 1.573 1.573 276 2HH2 ARG 36 HH12 ARG 36 2.316 2.338 2.338 277 H LYS 37 HN LYS 37 6.022 -5.552 -5.552 278 HA LYS 37 HA LYS 37 5.009 -8.061 -8.061 279 1HB LYS 37 HB2 LYS 37 7.172 -9.013 -9.013 280 2HB LYS 37 HB1 LYS 37 7.415 -7.352 -7.352 281 1HG LYS 37 HG2 LYS 37 7.989 -8.441 -8.441 282 2HG LYS 37 HG1 LYS 37 9.180 -8.007 -8.007 283 1HD LYS 37 HD2 LYS 37 8.185 -5.681 -5.681 284 2HD LYS 37 HD1 LYS 37 7.245 -6.151 -6.151 285 1HE LYS 37 HE2 LYS 37 9.092 -6.244 -6.244 286 2HE LYS 37 HE1 LYS 37 10.203 -6.592 -6.592 287 1HZ LYS 37 HZ1 LYS 37 9.727 -4.276 -4.276 288 2HZ LYS 37 HZ3 LYS 37 8.955 -3.999 -3.999 289 3HZ LYS 37 HZ2 LYS 37 10.609 -4.387 -4.387 290 HA PRO 38 HA PRO 38 4.246 -9.168 -9.168 291 1HB PRO 38 HB2 PRO 38 4.748 -11.896 -11.896 292 2HB PRO 38 HB1 PRO 38 3.330 -11.165 -11.165 293 1HG PRO 38 HG2 PRO 38 5.716 -12.386 -12.386 294 2HG PRO 38 HG1 PRO 38 4.094 -12.140 -12.140 295 1HD PRO 38 HD2 PRO 38 6.419 -10.571 -10.571 296 2HD PRO 38 HD1 PRO 38 4.760 -10.215 -10.215 297 H LEU 39 HN LEU 39 7.257 -8.461 -8.461 298 HA LEU 39 HA LEU 39 8.401 -10.037 -10.037 299 1HB LEU 39 HB2 LEU 39 9.412 -10.034 -10.034 300 2HB LEU 39 HB1 LEU 39 9.999 -8.438 -8.438 301 HG LEU 39 HG LEU 39 11.743 -9.286 -9.286 302 1HD1 LEU 39 HD12 LEU 39 10.330 -9.898 -9.898 303 2HD1 LEU 39 HD11 LEU 39 10.019 -11.467 -11.467 304 3HD1 LEU 39 HD13 LEU 39 11.655 -11.023 -11.023 305 1HD2 LEU 39 HD22 LEU 39 11.553 -10.805 -10.805 306 2HD2 LEU 39 HD21 LEU 39 12.510 -11.426 -11.426 307 3HD2 LEU 39 HD23 LEU 39 10.866 -12.012 -12.012 308 H HIS 40 HN HIS 40 7.639 -6.814 -6.814 309 HA HIS 40 HA HIS 40 9.370 -5.338 -5.338 310 1HB HIS 40 HB2 HIS 40 8.151 -4.363 -4.363 311 2HB HIS 40 HB1 HIS 40 6.650 -4.504 -4.504 312 HD1 HIS 40 HD1 HIS 40 10.099 -3.206 -3.206 313 HD2 HIS 40 HD2 HIS 40 6.116 -1.977 -1.977 314 HE1 HIS 40 HE1 HIS 40 10.041 -0.911 -0.911 315 H TYR 41 HN TYR 41 5.912 -6.178 -6.178 316 HA TYR 41 HA TYR 41 5.663 -5.128 -5.128 317 1HB TYR 41 HB2 TYR 41 4.021 -7.430 -7.430 318 2HB TYR 41 HB1 TYR 41 3.515 -6.075 -6.075 319 HD1 TYR 41 HD1 TYR 41 4.571 -7.069 -7.069 320 HD2 TYR 41 HD2 TYR 41 2.827 -3.997 -3.997 321 HE1 TYR 41 HE1 TYR 41 3.945 -5.804 -5.804 322 HE2 TYR 41 HE2 TYR 41 2.205 -2.733 -2.733 323 HH TYR 41 HH TYR 41 2.585 -4.100 -4.100 324 H ALA 42 HN ALA 42 6.505 -8.285 -8.285 325 HA ALA 42 HA ALA 42 6.596 -9.683 -9.683 326 1HB ALA 42 HB2 ALA 42 6.681 -10.634 -10.634 327 2HB ALA 42 HB1 ALA 42 8.409 -10.300 -10.300 328 3HB ALA 42 HB3 ALA 42 7.663 -11.431 -11.431 329 H ALA 43 HN ALA 43 9.220 -8.560 -8.560 330 HA ALA 43 HA ALA 43 11.354 -8.625 -8.625 331 1HB ALA 43 HB2 ALA 43 11.488 -8.033 -8.033 332 2HB ALA 43 HB1 ALA 43 10.734 -6.480 -6.480 333 3HB ALA 43 HB3 ALA 43 12.331 -6.855 -6.855 334 H ASP 44 HN ASP 44 9.534 -5.654 -5.654 335 HA ASP 44 HA ASP 44 10.567 -4.104 -4.104 336 1HB ASP 44 HB2 ASP 44 9.337 -3.260 -3.260 337 2HB ASP 44 HB1 ASP 44 7.834 -3.755 -3.755 338 H CYS 45 HN CYS 45 7.821 -6.343 -6.343 339 HA CYS 45 HA CYS 45 7.779 -6.075 -6.075 340 1HB CYS 45 HB2 CYS 45 5.435 -5.248 -5.248 341 2HB CYS 45 HB1 CYS 45 5.292 -5.592 -5.592 342 HG CYS 45 HG CYS 45 7.297 -3.380 -3.380 343 H GLY 46 HN GLY 46 8.458 -8.345 -8.345 344 1HA GLY 46 HA2 GLY 46 5.974 -10.029 -10.029 345 2HA GLY 46 HA1 GLY 46 7.499 -10.402 -10.402 346 H GLN 47 HN GLN 47 7.364 -9.285 -9.285 347 HA GLN 47 HA GLN 47 8.248 -10.378 -10.378 348 1HB GLN 47 HB2 GLN 47 6.500 -12.463 -12.463 349 2HB GLN 47 HB1 GLN 47 7.310 -12.771 -12.771 350 1HG GLN 47 HG2 GLN 47 4.919 -11.861 -11.861 351 2HG GLN 47 HG1 GLN 47 6.126 -11.016 -11.016 352 1HE2 GLN 47 HE21 GLN 47 5.083 -10.816 -10.816 353 2HE2 GLN 47 HE22 GLN 47 4.885 -9.129 -9.129 354 H LEU 48 HN LEU 48 9.487 -10.608 -10.608 355 HA LEU 48 HA LEU 48 11.377 -11.452 -11.452 356 1HB LEU 48 HB2 LEU 48 11.928 -11.999 -11.999 357 2HB LEU 48 HB1 LEU 48 13.090 -12.370 -12.370 358 HG LEU 48 HG LEU 48 13.821 -10.241 -10.241 359 1HD1 LEU 48 HD13 LEU 48 11.024 -9.383 -9.383 360 2HD1 LEU 48 HD12 LEU 48 12.404 -8.300 -8.300 361 3HD1 LEU 48 HD11 LEU 48 12.412 -9.601 -9.601 362 1HD2 LEU 48 HD21 LEU 48 11.483 -9.736 -9.736 363 2HD2 LEU 48 HD23 LEU 48 13.126 -10.164 -10.164 364 3HD2 LEU 48 HD22 LEU 48 12.801 -8.594 -8.594 365 H GLU 49 HN GLU 49 9.075 -13.401 -13.401 366 HA GLU 49 HA GLU 49 10.520 -15.917 -15.917 367 1HB GLU 49 HB2 GLU 49 8.127 -16.865 -16.865 368 2HB GLU 49 HB1 GLU 49 9.200 -16.380 -16.380 369 1HG GLU 49 HG2 GLU 49 8.117 -14.201 -14.201 370 2HG GLU 49 HG1 GLU 49 7.100 -14.587 -14.587 371 H ILE 50 HN ILE 50 7.877 -13.819 -13.819 372 HA ILE 50 HA ILE 50 6.880 -15.328 -15.328 373 HB ILE 50 HB ILE 50 6.953 -12.328 -12.328 374 1HG1 ILE 50 HG12 ILE 50 5.697 -14.303 -14.303 375 2HG1 ILE 50 HG11 ILE 50 5.661 -12.559 -12.559 376 1HG2 ILE 50 HG22 ILE 50 6.297 -13.293 -13.293 377 2HG2 ILE 50 HG21 ILE 50 4.946 -14.087 -14.087 378 3HG2 ILE 50 HG23 ILE 50 5.044 -12.331 -12.331 379 1HD1 ILE 50 HD11 ILE 50 3.764 -14.086 -14.086 380 2HD1 ILE 50 HD13 ILE 50 3.384 -13.721 -13.721 381 3HD1 ILE 50 HD12 ILE 50 3.626 -12.414 -12.414 382 H LEU 51 HN LEU 51 9.508 -12.904 -12.904 383 HA LEU 51 HA LEU 51 9.699 -12.884 -12.884 384 1HB LEU 51 HB2 LEU 51 12.338 -12.492 -12.492 385 2HB LEU 51 HB1 LEU 51 11.141 -11.229 -11.229 386 HG LEU 51 HG LEU 51 12.357 -10.983 -10.983 387 1HD1 LEU 51 HD13 LEU 51 9.536 -11.061 -11.061 388 2HD1 LEU 51 HD12 LEU 51 9.924 -11.764 -11.764 389 3HD1 LEU 51 HD11 LEU 51 10.503 -10.155 -10.155 390 1HD2 LEU 51 HD22 LEU 51 12.711 -13.551 -13.551 391 2HD2 LEU 51 HD21 LEU 51 12.589 -12.642 -12.642 392 3HD2 LEU 51 HD23 LEU 51 11.200 -13.554 -13.554 393 H GLU 52 HN GLU 52 11.640 -14.891 -14.891 394 HA GLU 52 HA GLU 52 12.999 -16.430 -16.430 395 1HB GLU 52 HB2 GLU 52 11.694 -17.689 -17.689 396 2HB GLU 52 HB1 GLU 52 13.202 -18.153 -18.153 397 1HG GLU 52 HG2 GLU 52 14.179 -15.964 -15.964 398 2HG GLU 52 HG1 GLU 52 12.682 -15.612 -15.612 399 H PHE 53 HN PHE 53 9.600 -16.679 -16.679 400 HA PHE 53 HA PHE 53 9.026 -19.208 -19.208 401 1HB PHE 53 HB2 PHE 53 7.439 -18.266 -18.266 402 2HB PHE 53 HB1 PHE 53 7.347 -16.774 -16.774 403 HD1 PHE 53 HD1 PHE 53 6.574 -20.414 -20.414 404 HD2 PHE 53 HD2 PHE 53 5.738 -16.475 -16.475 405 HE1 PHE 53 HE1 PHE 53 4.608 -21.281 -21.281 406 HE2 PHE 53 HE2 PHE 53 3.785 -17.354 -17.354 407 HZ PHE 53 HZ PHE 53 3.216 -19.731 -19.731 408 H LEU 54 HN LEU 54 7.476 -16.454 -16.454 409 HA LEU 54 HA LEU 54 7.280 -17.744 -17.744 410 1HB LEU 54 HB2 LEU 54 6.589 -15.658 -15.658 411 2HB LEU 54 HB1 LEU 54 6.003 -15.744 -15.744 412 HG LEU 54 HG LEU 54 6.760 -13.557 -13.557 413 1HD1 LEU 54 HD11 LEU 54 7.724 -14.728 -14.728 414 2HD1 LEU 54 HD13 LEU 54 9.187 -15.027 -15.027 415 3HD1 LEU 54 HD12 LEU 54 8.709 -13.381 -13.381 416 1HD2 LEU 54 HD23 LEU 54 8.014 -14.082 -14.082 417 2HD2 LEU 54 HD22 LEU 54 8.522 -12.724 -12.724 418 3HD2 LEU 54 HD21 LEU 54 9.428 -14.233 -14.233 419 H LEU 55 HN LEU 55 10.136 -16.638 -16.638 420 HA LEU 55 HA LEU 55 11.478 -16.109 -16.109 421 1HB LEU 55 HB2 LEU 55 11.817 -14.910 -14.910 422 2HB LEU 55 HB1 LEU 55 12.897 -16.267 -16.267 423 HG LEU 55 HG LEU 55 13.070 -14.404 -14.404 424 1HD1 LEU 55 HD13 LEU 55 14.645 -14.560 -14.560 425 2HD1 LEU 55 HD12 LEU 55 15.175 -13.643 -13.643 426 3HD1 LEU 55 HD11 LEU 55 13.681 -13.203 -13.203 427 1HD2 LEU 55 HD22 LEU 55 14.596 -16.848 -16.848 428 2HD2 LEU 55 HD21 LEU 55 14.049 -16.398 -16.398 429 3HD2 LEU 55 HD23 LEU 55 15.434 -15.581 -15.581 430 H LEU 56 HN LEU 56 11.576 -18.493 -18.493 431 HA LEU 56 HA LEU 56 13.726 -19.973 -19.973 432 1HB LEU 56 HB2 LEU 56 13.233 -21.729 -21.729 433 2HB LEU 56 HB1 LEU 56 12.783 -20.249 -20.249 434 HG LEU 56 HG LEU 56 10.399 -20.829 -20.829 435 1HD1 LEU 56 HD12 LEU 56 11.282 -22.950 -22.950 436 2HD1 LEU 56 HD11 LEU 56 11.657 -23.527 -23.527 437 3HD1 LEU 56 HD13 LEU 56 9.983 -23.250 -23.250 438 1HD2 LEU 56 HD23 LEU 56 10.937 -20.475 -20.475 439 2HD2 LEU 56 HD22 LEU 56 9.680 -21.668 -21.668 440 3HD2 LEU 56 HD21 LEU 56 11.312 -22.196 -22.196 441 H LYS 57 HN LYS 57 10.346 -19.894 -19.894 442 HA LYS 57 HA LYS 57 10.416 -22.286 -22.286 443 1HB LYS 57 HB2 LYS 57 8.488 -20.046 -20.046 444 2HB LYS 57 HB1 LYS 57 8.274 -20.994 -20.994 445 1HG LYS 57 HG2 LYS 57 8.682 -22.478 -22.478 446 2HG LYS 57 HG1 LYS 57 7.116 -21.717 -21.717 447 1HD LYS 57 HD2 LYS 57 6.750 -22.969 -22.969 448 2HD LYS 57 HD1 LYS 57 8.418 -23.543 -23.543 449 1HE LYS 57 HE2 LYS 57 6.801 -25.258 -25.258 450 2HE LYS 57 HE1 LYS 57 8.052 -24.845 -24.845 451 1HZ LYS 57 HZ2 LYS 57 6.486 -23.260 -23.260 452 2HZ LYS 57 HZ1 LYS 57 5.281 -23.786 -23.786 453 3HZ LYS 57 HZ3 LYS 57 5.921 -24.861 -24.861 454 H GLY 58 HN GLY 58 9.253 -19.427 -19.427 455 1HA GLY 58 HA2 GLY 58 11.169 -19.794 -19.794 456 2HA GLY 58 HA1 GLY 58 9.994 -18.481 -18.481 457 H ALA 59 HN ALA 59 10.895 -16.491 -16.491 458 HA ALA 59 HA ALA 59 12.576 -15.786 -15.786 459 1HB ALA 59 HB1 ALA 59 14.118 -16.948 -16.948 460 2HB ALA 59 HB3 ALA 59 14.796 -15.557 -15.557 461 3HB ALA 59 HB2 ALA 59 14.431 -17.030 -17.030 462 H ASP 60 HN ASP 60 11.176 -14.087 -14.087 463 HA ASP 60 HA ASP 60 11.433 -12.324 -12.324 464 1HB ASP 60 HB2 ASP 60 9.343 -12.669 -12.669 465 2HB ASP 60 HB1 ASP 60 10.168 -11.611 -11.611 466 H ILE 61 HN ILE 61 13.332 -13.142 -13.142 467 HA ILE 61 HA ILE 61 14.333 -11.014 -11.014 468 HB ILE 61 HB ILE 61 15.013 -13.434 -13.434 469 1HG1 ILE 61 HG12 ILE 61 17.212 -11.351 -11.351 470 2HG1 ILE 61 HG11 ILE 61 16.298 -11.806 -11.806 471 1HG2 ILE 61 HG22 ILE 61 15.382 -13.343 -13.343 472 2HG2 ILE 61 HG21 ILE 61 16.963 -12.673 -12.673 473 3HG2 ILE 61 HG23 ILE 61 16.519 -14.281 -14.281 474 1HD1 ILE 61 HD12 ILE 61 17.254 -14.249 -14.249 475 2HD1 ILE 61 HD11 ILE 61 18.586 -13.145 -13.145 476 3HD1 ILE 61 HD13 ILE 61 17.966 -13.290 -13.290 477 H ASN 62 HN ASN 62 14.658 -11.569 -11.569 478 HA ASN 62 HA ASN 62 16.278 -9.090 -9.090 479 1HB ASN 62 HB2 ASN 62 17.595 -10.227 -10.227 480 2HB ASN 62 HB1 ASN 62 17.843 -10.925 -10.925 481 1HD2 ASN 62 HD21 ASN 62 14.871 -12.065 -12.065 482 2HD2 ASN 62 HD22 ASN 62 15.211 -13.502 -13.502 483 H ALA 63 HN ALA 63 13.907 -11.277 -11.277 484 HA ALA 63 HA ALA 63 13.151 -10.820 -10.820 485 1HB ALA 63 HB2 ALA 63 11.425 -10.370 -10.370 486 2HB ALA 63 HB1 ALA 63 10.760 -10.143 -10.143 487 3HB ALA 63 HB3 ALA 63 11.418 -11.708 -11.708 488 HA PRO 64 HA PRO 64 11.449 -6.077 -6.077 489 1HB PRO 64 HB2 PRO 64 14.319 -5.696 -5.696 490 2HB PRO 64 HB1 PRO 64 12.887 -4.763 -4.763 491 1HG PRO 64 HG2 PRO 64 13.986 -6.943 -6.943 492 2HG PRO 64 HG1 PRO 64 12.367 -6.268 -6.268 493 1HD PRO 64 HD2 PRO 64 12.913 -8.881 -8.881 494 2HD PRO 64 HD1 PRO 64 11.348 -8.058 -8.058 495 H ASP 65 HN ASP 65 11.250 -4.890 -4.890 496 HA ASP 65 HA ASP 65 13.388 -4.535 -4.535 497 1HB ASP 65 HB2 ASP 65 10.695 -5.816 -5.816 498 2HB ASP 65 HB1 ASP 65 11.505 -4.931 -4.931 499 H LYS 66 HN LYS 66 10.194 -3.833 -3.833 500 HA LYS 66 HA LYS 66 10.088 -1.184 -1.184 501 1HB LYS 66 HB2 LYS 66 8.169 -2.935 -2.935 502 2HB LYS 66 HB1 LYS 66 8.110 -2.291 -2.291 503 1HG LYS 66 HG2 LYS 66 7.896 -0.631 -0.631 504 2HG LYS 66 HG1 LYS 66 6.546 -1.163 -1.163 505 1HD LYS 66 HD2 LYS 66 7.949 -0.007 -0.007 506 2HD LYS 66 HD1 LYS 66 8.620 0.904 0.904 507 1HE LYS 66 HE2 LYS 66 6.786 2.223 2.223 508 2HE LYS 66 HE1 LYS 66 6.116 1.246 1.246 509 1HZ LYS 66 HZ2 LYS 66 5.836 -0.238 -0.238 510 2HZ LYS 66 HZ1 LYS 66 5.356 1.341 1.341 511 3HZ LYS 66 HZ3 LYS 66 4.606 0.532 0.532 512 H HIS 67 HN HIS 67 10.550 -2.709 -2.709 513 HA HIS 67 HA HIS 67 10.499 -0.210 -0.210 514 1HB HIS 67 HB2 HIS 67 11.233 -3.070 -3.070 515 2HB HIS 67 HB1 HIS 67 11.720 -1.800 -1.800 516 HD1 HIS 67 HD1 HIS 67 10.014 -2.936 -2.936 517 HD2 HIS 67 HD2 HIS 67 8.267 -1.135 -1.135 518 HE1 HIS 67 HE1 HIS 67 7.563 -2.643 -2.643 519 H HIS 68 HN HIS 68 12.785 -1.820 -1.820 520 HA HIS 68 HA HIS 68 15.084 -1.440 -1.440 521 1HB HIS 68 HB2 HIS 68 13.915 0.859 0.859 522 2HB HIS 68 HB1 HIS 68 14.581 1.281 1.281 523 HD1 HIS 68 HD1 HIS 68 15.642 0.352 0.352 524 HD2 HIS 68 HD2 HIS 68 17.340 1.832 1.832 525 HE1 HIS 68 HE1 HIS 68 17.974 1.138 1.138 526 H ILE 69 HN ILE 69 14.049 -2.406 -2.406 527 HA ILE 69 HA ILE 69 16.577 -2.013 -2.013 528 HB ILE 69 HB ILE 69 14.326 -0.494 -0.494 529 1HG1 ILE 69 HG12 ILE 69 16.703 0.032 0.032 530 2HG1 ILE 69 HG11 ILE 69 15.760 0.219 0.219 531 1HG2 ILE 69 HG21 ILE 69 13.355 -2.532 -2.532 532 2HG2 ILE 69 HG23 ILE 69 14.802 -2.608 -2.608 533 3HG2 ILE 69 HG22 ILE 69 13.729 -1.221 -1.221 534 1HD1 ILE 69 HD11 ILE 69 16.499 -2.255 -2.255 535 2HD1 ILE 69 HD13 ILE 69 17.775 -1.873 -1.873 536 3HD1 ILE 69 HD12 ILE 69 17.598 -0.932 -0.932 537 H THR 70 HN THR 70 16.714 -3.278 -3.278 538 HA THR 70 HA THR 70 15.651 -5.996 -5.996 539 HB THR 70 HB THR 70 17.865 -6.682 -6.682 540 HG1 THR 70 HG1 THR 70 17.578 -4.688 -4.688 541 1HG2 THR 70 HG22 THR 70 17.781 -4.800 -4.800 542 2HG2 THR 70 HG21 THR 70 18.481 -3.800 -3.800 543 3HG2 THR 70 HG23 THR 70 19.344 -5.218 -5.218 544 HA PRO 71 HA PRO 71 13.657 -5.003 -5.003 545 1HB PRO 71 HB2 PRO 71 13.532 -7.866 -7.866 546 2HB PRO 71 HB1 PRO 71 12.206 -6.748 -6.748 547 1HG PRO 71 HG2 PRO 71 12.973 -8.724 -8.724 548 2HG PRO 71 HG1 PRO 71 12.319 -7.172 -7.172 549 1HD PRO 71 HD2 PRO 71 15.169 -8.073 -8.073 550 2HD PRO 71 HD1 PRO 71 14.281 -7.083 -7.083 551 H LEU 72 HN LEU 72 16.644 -6.780 -6.780 552 HA LEU 72 HA LEU 72 16.801 -7.113 -7.113 553 1HB LEU 72 HB2 LEU 72 19.342 -6.288 -6.288 554 2HB LEU 72 HB1 LEU 72 19.017 -7.669 -7.669 555 HG LEU 72 HG LEU 72 19.563 -8.484 -8.484 556 1HD1 LEU 72 HD13 LEU 72 16.642 -8.723 -8.723 557 2HD1 LEU 72 HD12 LEU 72 17.290 -9.488 -9.488 558 3HD1 LEU 72 HD11 LEU 72 17.929 -9.917 -9.917 559 1HD2 LEU 72 HD22 LEU 72 18.201 -6.121 -6.121 560 2HD2 LEU 72 HD21 LEU 72 19.217 -7.195 -7.195 561 3HD2 LEU 72 HD23 LEU 72 17.483 -7.498 -7.498 562 H LEU 73 HN LEU 73 17.336 -4.294 -4.294 563 HA LEU 73 HA LEU 73 18.294 -2.625 -2.625 564 1HB LEU 73 HB2 LEU 73 17.047 -1.764 -1.764 565 2HB LEU 73 HB1 LEU 73 17.934 -0.742 -0.742 566 HG LEU 73 HG LEU 73 19.819 -2.581 -2.581 567 1HD1 LEU 73 HD12 LEU 73 17.933 -3.602 -3.602 568 2HD1 LEU 73 HD11 LEU 73 19.023 -2.775 -2.775 569 3HD1 LEU 73 HD13 LEU 73 19.635 -4.018 -4.018 570 1HD2 LEU 73 HD23 LEU 73 19.147 -0.283 -0.283 571 2HD2 LEU 73 HD22 LEU 73 20.343 -0.372 -0.372 572 3HD2 LEU 73 HD21 LEU 73 20.617 -1.225 -1.225 573 H SER 74 HN SER 74 15.237 -3.735 -3.735 574 HA SER 74 HA SER 74 13.627 -1.627 -1.627 575 1HB SER 74 HB2 SER 74 12.742 -3.476 -3.476 576 2HB SER 74 HB1 SER 74 12.916 -4.570 -4.570 577 HG SER 74 HG SER 74 11.302 -3.580 -3.580 578 H ALA 75 HN ALA 75 14.762 -4.611 -4.611 579 HA ALA 75 HA ALA 75 13.633 -3.867 -3.867 580 1HB ALA 75 HB2 ALA 75 15.705 -5.897 -5.897 581 2HB ALA 75 HB1 ALA 75 15.325 -5.612 -5.612 582 3HB ALA 75 HB3 ALA 75 14.069 -6.177 -6.177 583 H VAL 76 HN VAL 76 16.706 -3.250 -3.250 584 HA VAL 76 HA VAL 76 18.365 -2.539 -2.539 585 HB VAL 76 HB VAL 76 17.949 -1.245 -1.245 586 1HG1 VAL 76 HG13 VAL 76 19.855 -0.472 -0.472 587 2HG1 VAL 76 HG12 VAL 76 20.291 -0.241 -0.241 588 3HG1 VAL 76 HG11 VAL 76 18.879 0.576 0.576 589 1HG2 VAL 76 HG23 VAL 76 18.884 -3.520 -3.520 590 2HG2 VAL 76 HG22 VAL 76 20.061 -2.364 -2.364 591 3HG2 VAL 76 HG21 VAL 76 20.163 -2.911 -2.911 592 H TYR 77 HN TYR 77 16.365 -0.052 -0.052 593 HA TYR 77 HA TYR 77 16.613 1.693 1.693 594 1HB TYR 77 HB2 TYR 77 14.406 2.172 2.172 595 2HB TYR 77 HB1 TYR 77 15.594 3.303 3.303 596 HD1 TYR 77 HD2 TYR 77 17.908 3.329 3.329 597 HD2 TYR 77 HD1 TYR 77 14.855 0.892 0.892 598 HE1 TYR 77 HE2 TYR 77 19.328 2.987 2.987 599 HE2 TYR 77 HE1 TYR 77 16.277 0.551 0.551 600 HH TYR 77 HH TYR 77 19.485 1.080 1.080 601 H GLU 78 HN GLU 78 15.592 -0.774 -0.774 602 HA GLU 78 HA GLU 78 12.820 0.016 0.016 603 1HB GLU 78 HB2 GLU 78 13.135 -1.982 -1.982 604 2HB GLU 78 HB1 GLU 78 13.677 -2.859 -2.859 605 1HG GLU 78 HG2 GLU 78 11.292 -3.237 -3.237 606 2HG GLU 78 HG1 GLU 78 11.543 -2.260 -2.260 607 H GLY 79 HN GLY 79 15.956 -1.178 -1.178 608 1HA GLY 79 HA2 GLY 79 16.885 -1.246 -1.246 609 2HA GLY 79 HA1 GLY 79 15.289 -0.873 -0.873 610 H HIS 80 HN HIS 80 14.641 -3.179 -3.179 611 HA HIS 80 HA HIS 80 14.436 -5.285 -5.285 612 1HB HIS 80 HB2 HIS 80 13.621 -4.949 -4.949 613 2HB HIS 80 HB1 HIS 80 13.769 -6.585 -6.585 614 HD1 HIS 80 HD1 HIS 80 11.482 -7.323 -7.323 615 HD2 HIS 80 HD2 HIS 80 12.108 -3.437 -3.437 616 HE1 HIS 80 HE1 HIS 80 9.445 -6.720 -6.720 617 H VAL 81 HN VAL 81 15.966 -5.150 -5.150 618 HA VAL 81 HA VAL 81 17.622 -6.591 -6.591 619 HB VAL 81 HB VAL 81 19.793 -5.870 -5.870 620 1HG1 VAL 81 HG13 VAL 81 18.188 -4.684 -4.684 621 2HG1 VAL 81 HG12 VAL 81 18.736 -3.380 -3.380 622 3HG1 VAL 81 HG11 VAL 81 19.910 -4.459 -4.459 623 1HG2 VAL 81 HG23 VAL 81 18.418 -5.114 -5.114 624 2HG2 VAL 81 HG22 VAL 81 19.433 -3.843 -3.843 625 3HG2 VAL 81 HG21 VAL 81 17.708 -3.875 -3.875 626 H SER 82 HN SER 82 15.999 -7.837 -7.837 627 HA SER 82 HA SER 82 17.915 -9.761 -9.761 628 1HB SER 82 HB2 SER 82 15.086 -9.018 -9.018 629 2HB SER 82 HB1 SER 82 15.300 -10.765 -10.765 630 HG SER 82 HG SER 82 16.058 -10.647 -10.647 631 H CYS 83 HN CYS 83 16.023 -8.992 -8.992 632 HA CYS 83 HA CYS 83 15.841 -11.662 -11.662 633 1HB CYS 83 HB2 CYS 83 15.197 -9.968 -9.968 634 2HB CYS 83 HB1 CYS 83 14.046 -10.423 -10.423 635 HG CYS 83 HG CYS 83 14.139 -8.116 -8.116 636 H VAL 84 HN VAL 84 17.382 -8.561 -8.561 637 HA VAL 84 HA VAL 84 18.939 -9.294 -9.294 638 HB VAL 84 HB VAL 84 20.706 -7.783 -7.783 639 1HG1 VAL 84 HG11 VAL 84 17.911 -6.850 -6.850 640 2HG1 VAL 84 HG13 VAL 84 19.309 -5.787 -5.787 641 3HG1 VAL 84 HG12 VAL 84 18.740 -6.709 -6.709 642 1HG2 VAL 84 HG23 VAL 84 19.311 -8.202 -8.202 643 2HG2 VAL 84 HG22 VAL 84 21.018 -8.413 -8.413 644 3HG2 VAL 84 HG21 VAL 84 20.326 -6.794 -6.794 645 H LYS 85 HN LYS 85 19.536 -10.261 -10.261 646 HA LYS 85 HA LYS 85 22.100 -11.411 -11.411 647 1HB LYS 85 HB2 LYS 85 20.404 -11.041 -11.041 648 2HB LYS 85 HB1 LYS 85 20.678 -12.776 -12.776 649 1HG LYS 85 HG2 LYS 85 23.068 -12.485 -12.485 650 2HG LYS 85 HG1 LYS 85 22.927 -10.746 -10.746 651 1HD LYS 85 HD2 LYS 85 21.559 -10.731 -10.731 652 2HD LYS 85 HD1 LYS 85 22.191 -12.358 -12.358 653 1HE LYS 85 HE2 LYS 85 24.472 -11.556 -11.556 654 2HE LYS 85 HE1 LYS 85 23.952 -9.949 -9.949 655 1HZ LYS 85 HZ3 LYS 85 22.916 -11.104 -11.104 656 2HZ LYS 85 HZ2 LYS 85 24.462 -10.401 -10.401 657 3HZ LYS 85 HZ1 LYS 85 23.098 -9.476 -9.476 658 H LEU 86 HN LEU 86 19.100 -13.281 -13.281 659 HA LEU 86 HA LEU 86 20.224 -15.617 -15.617 660 1HB LEU 86 HB2 LEU 86 18.480 -16.686 -16.686 661 2HB LEU 86 HB1 LEU 86 18.090 -15.142 -15.142 662 HG LEU 86 HG LEU 86 16.098 -15.970 -15.970 663 1HD1 LEU 86 HD13 LEU 86 17.063 -13.535 -13.535 664 2HD1 LEU 86 HD12 LEU 86 16.544 -14.218 -14.218 665 3HD1 LEU 86 HD11 LEU 86 15.405 -14.084 -14.084 666 1HD2 LEU 86 HD21 LEU 86 17.725 -17.277 -17.277 667 2HD2 LEU 86 HD23 LEU 86 15.981 -17.412 -17.412 668 3HD2 LEU 86 HD22 LEU 86 16.644 -16.230 -16.230 669 H LEU 87 HN LEU 87 19.120 -12.790 -12.790 670 HA LEU 87 HA LEU 87 17.826 -13.900 -13.900 671 1HB LEU 87 HB2 LEU 87 18.186 -11.354 -11.354 672 2HB LEU 87 HB1 LEU 87 19.089 -11.294 -11.294 673 HG LEU 87 HG LEU 87 16.211 -12.201 -12.201 674 1HD1 LEU 87 HD11 LEU 87 17.483 -9.588 -9.588 675 2HD1 LEU 87 HD13 LEU 87 15.895 -10.042 -10.042 676 3HD1 LEU 87 HD12 LEU 87 16.148 -9.873 -9.873 677 1HD2 LEU 87 HD21 LEU 87 18.145 -12.094 -12.094 678 2HD2 LEU 87 HD23 LEU 87 16.938 -13.318 -13.318 679 3HD2 LEU 87 HD22 LEU 87 16.437 -11.783 -11.783 680 H LEU 88 HN LEU 88 21.059 -12.239 -12.239 681 HA LEU 88 HA LEU 88 21.724 -13.225 -13.225 682 1HB LEU 88 HB2 LEU 88 23.925 -12.527 -12.527 683 2HB LEU 88 HB1 LEU 88 22.960 -11.415 -11.415 684 HG LEU 88 HG LEU 88 24.824 -11.965 -11.965 685 1HD1 LEU 88 HD11 LEU 88 22.438 -12.236 -12.236 686 2HD1 LEU 88 HD13 LEU 88 22.854 -13.945 -13.945 687 3HD1 LEU 88 HD12 LEU 88 23.830 -12.756 -12.756 688 1HD2 LEU 88 HD22 LEU 88 25.080 -14.276 -14.276 689 2HD2 LEU 88 HD21 LEU 88 25.952 -13.936 -13.936 690 3HD2 LEU 88 HD23 LEU 88 24.485 -14.911 -14.911 691 H SER 89 HN SER 89 21.282 -14.969 -14.969 692 HA SER 89 HA SER 89 23.240 -17.000 -17.000 693 1HB SER 89 HB2 SER 89 21.337 -16.708 -16.708 694 2HB SER 89 HB1 SER 89 20.367 -17.660 -17.660 695 HG SER 89 HG SER 89 22.707 -18.360 -18.360 696 H LYS 90 HN LYS 90 20.656 -16.135 -16.135 697 HA LYS 90 HA LYS 90 20.882 -18.694 -18.694 698 1HB LYS 90 HB2 LYS 90 18.823 -16.470 -16.470 699 2HB LYS 90 HB1 LYS 90 18.829 -17.802 -17.802 700 1HG LYS 90 HG2 LYS 90 17.524 -18.878 -18.878 701 2HG LYS 90 HG1 LYS 90 19.010 -19.151 -19.151 702 1HD LYS 90 HD2 LYS 90 17.634 -18.187 -18.187 703 2HD LYS 90 HD1 LYS 90 18.511 -16.783 -16.783 704 1HE LYS 90 HE2 LYS 90 16.615 -16.318 -16.318 705 2HE LYS 90 HE1 LYS 90 15.732 -17.665 -17.665 706 1HZ LYS 90 HZ3 LYS 90 16.783 -15.376 -15.376 707 2HZ LYS 90 HZ2 LYS 90 15.199 -15.443 -15.443 708 3HZ LYS 90 HZ1 LYS 90 15.723 -16.587 -16.587 709 H GLY 91 HN GLY 91 21.682 -15.353 -15.353 710 1HA GLY 91 HA2 GLY 91 23.539 -15.069 -15.069 711 2HA GLY 91 HA1 GLY 91 22.158 -15.331 -15.331 712 H ALA 92 HN ALA 92 20.700 -13.659 -13.659 713 HA ALA 92 HA ALA 92 20.015 -11.413 -11.413 714 1HB ALA 92 HB2 ALA 92 20.000 -12.310 -12.310 715 2HB ALA 92 HB1 ALA 92 20.446 -10.609 -10.609 716 3HB ALA 92 HB3 ALA 92 18.934 -11.135 -11.135 717 H ASP 93 HN ASP 93 23.189 -12.174 -12.174 718 HA ASP 93 HA ASP 93 25.165 -10.889 -10.889 719 1HB ASP 93 HB2 ASP 93 24.582 -10.761 -10.761 720 2HB ASP 93 HB1 ASP 93 23.887 -9.175 -9.175 721 H LYS 94 HN LYS 94 24.213 -7.853 -7.853 722 HA LYS 94 HA LYS 94 23.029 -6.969 -6.969 723 1HB LYS 94 HB2 LYS 94 25.258 -7.317 -7.317 724 2HB LYS 94 HB1 LYS 94 25.976 -6.412 -6.412 725 1HG LYS 94 HG2 LYS 94 25.850 -5.006 -5.006 726 2HG LYS 94 HG1 LYS 94 24.776 -4.392 -4.392 727 1HD LYS 94 HD2 LYS 94 23.495 -6.331 -6.331 728 2HD LYS 94 HD1 LYS 94 24.041 -4.862 -4.862 729 1HE LYS 94 HE2 LYS 94 22.768 -3.689 -3.689 730 2HE LYS 94 HE1 LYS 94 21.889 -5.216 -5.216 731 1HZ LYS 94 HZ3 LYS 94 21.621 -4.877 -4.877 732 2HZ LYS 94 HZ2 LYS 94 22.121 -3.274 -3.274 733 3HZ LYS 94 HZ1 LYS 94 20.714 -3.861 -3.861 734 H THR 95 HN THR 95 24.645 -6.280 -6.280 735 HA THR 95 HA THR 95 22.990 -3.795 -3.795 736 HB THR 95 HB THR 95 24.852 -2.959 -2.959 737 HG1 THR 95 HG1 THR 95 26.107 -5.188 -5.188 738 1HG2 THR 95 HG23 THR 95 25.444 -3.445 -3.445 739 2HG2 THR 95 HG22 THR 95 26.304 -2.285 -2.285 740 3HG2 THR 95 HG21 THR 95 24.585 -2.066 -2.066 741 H VAL 96 HN VAL 96 21.907 -6.136 -6.136 742 HA VAL 96 HA VAL 96 22.578 -6.977 -6.977 743 HB VAL 96 HB VAL 96 19.986 -7.268 -7.268 744 1HG1 VAL 96 HG13 VAL 96 21.005 -8.524 -8.524 745 2HG1 VAL 96 HG12 VAL 96 19.679 -9.206 -9.206 746 3HG1 VAL 96 HG11 VAL 96 19.520 -7.601 -7.601 747 1HG2 VAL 96 HG23 VAL 96 22.435 -9.018 -9.018 748 2HG2 VAL 96 HG22 VAL 96 21.763 -8.359 -8.359 749 3HG2 VAL 96 HG21 VAL 96 20.894 -9.619 -9.619 750 H LYS 97 HN LYS 97 20.713 -4.313 -4.313 751 HA LYS 97 HA LYS 97 20.509 -3.235 -3.235 752 1HB LYS 97 HB2 LYS 97 18.446 -4.991 -4.991 753 2HB LYS 97 HB1 LYS 97 17.732 -3.390 -3.390 754 1HG LYS 97 HG2 LYS 97 19.262 -4.355 -4.355 755 2HG LYS 97 HG1 LYS 97 17.508 -4.427 -4.427 756 1HD LYS 97 HD2 LYS 97 17.349 -2.023 -2.023 757 2HD LYS 97 HD1 LYS 97 19.100 -1.860 -1.860 758 1HE LYS 97 HE2 LYS 97 18.745 -1.365 -1.365 759 2HE LYS 97 HE1 LYS 97 18.997 -3.106 -3.106 760 1HZ LYS 97 HZ3 LYS 97 16.291 -2.508 -2.508 761 2HZ LYS 97 HZ2 LYS 97 16.778 -1.693 -1.693 762 3HZ LYS 97 HZ1 LYS 97 16.931 -3.382 -3.382 763 H GLY 98 HN GLY 98 21.030 -2.608 -2.608 764 1HA GLY 98 HA2 GLY 98 19.240 -0.368 -0.368 765 2HA GLY 98 HA1 GLY 98 20.739 -0.698 -0.698 766 HA PRO 99 HA PRO 99 21.090 2.920 2.920 767 1HB PRO 99 HB2 PRO 99 22.381 4.363 4.363 768 2HB PRO 99 HB1 PRO 99 20.890 4.778 4.778 769 1HG PRO 99 HG2 PRO 99 21.182 3.631 3.631 770 2HG PRO 99 HG1 PRO 99 19.705 4.202 4.202 771 1HD PRO 99 HD2 PRO 99 20.370 1.506 1.506 772 2HD PRO 99 HD1 PRO 99 19.072 2.059 2.059 773 H ASP 100 HN ASP 100 23.469 2.851 2.851 774 HA ASP 100 HA ASP 100 25.386 1.390 1.390 775 1HB ASP 100 HB2 ASP 100 25.517 3.885 3.885 776 2HB ASP 100 HB1 ASP 100 26.107 4.123 4.123 777 H GLY 101 HN GLY 101 27.277 2.985 2.985 778 1HA GLY 101 HA2 GLY 101 27.667 0.846 0.846 779 2HA GLY 101 HA1 GLY 101 28.276 2.479 2.479 780 H LEU 102 HN LEU 102 24.932 2.735 2.735 781 HA LEU 102 HA LEU 102 24.506 3.585 3.585 782 1HB LEU 102 HB2 LEU 102 22.913 3.921 3.921 783 2HB LEU 102 HB1 LEU 102 22.391 2.256 2.256 784 HG LEU 102 HG LEU 102 22.117 4.520 4.520 785 1HD1 LEU 102 HD13 LEU 102 20.130 2.969 2.969 786 2HD1 LEU 102 HD12 LEU 102 19.684 3.989 3.989 787 3HD1 LEU 102 HD11 LEU 102 20.460 4.701 4.701 788 1HD2 LEU 102 HD23 LEU 102 21.590 1.562 1.562 789 2HD2 LEU 102 HD22 LEU 102 22.448 2.640 2.640 790 3HD2 LEU 102 HD21 LEU 102 20.699 2.745 2.745 791 H THR 103 HN THR 103 23.109 0.580 0.580 792 HA THR 103 HA THR 103 22.364 -1.155 -1.155 793 HB THR 103 HB THR 103 24.223 -2.242 -2.242 794 HG1 THR 103 HG1 THR 103 23.733 -2.628 -2.628 795 1HG2 THR 103 HG22 THR 103 25.872 -0.244 -0.244 796 2HG2 THR 103 HG21 THR 103 26.572 -1.639 -1.639 797 3HG2 THR 103 HG23 THR 103 25.729 -0.400 -0.400 798 H ALA 104 HN ALA 104 24.945 -1.282 -1.282 799 HA ALA 104 HA ALA 104 23.344 -0.136 -0.136 800 1HB ALA 104 HB1 ALA 104 25.679 -1.914 -1.914 801 2HB ALA 104 HB3 ALA 104 25.469 -1.103 -1.103 802 3HB ALA 104 HB2 ALA 104 24.201 -2.164 -2.164 803 H LEU 105 HN LEU 105 26.235 0.676 0.676 804 HA LEU 105 HA LEU 105 27.573 2.277 2.277 805 1HB LEU 105 HB2 LEU 105 27.297 3.059 3.059 806 2HB LEU 105 HB1 LEU 105 28.647 3.336 3.336 807 HG LEU 105 HG LEU 105 27.737 0.705 0.705 808 1HD1 LEU 105 HD13 LEU 105 30.262 2.350 2.350 809 2HD1 LEU 105 HD12 LEU 105 30.026 0.743 0.743 810 3HD1 LEU 105 HD11 LEU 105 29.038 2.095 2.095 811 1HD2 LEU 105 HD23 LEU 105 29.645 1.402 1.402 812 2HD2 LEU 105 HD22 LEU 105 28.394 0.159 0.159 813 3HD2 LEU 105 HD21 LEU 105 29.878 -0.055 -0.055 814 H GLU 106 HN GLU 106 25.477 3.681 3.681 815 HA GLU 106 HA GLU 106 25.389 6.134 6.134 816 1HB GLU 106 HB2 GLU 106 23.776 5.420 5.420 817 2HB GLU 106 HB1 GLU 106 24.121 7.027 7.027 818 1HG GLU 106 HG2 GLU 106 26.238 5.065 5.065 819 2HG GLU 106 HG1 GLU 106 25.574 6.343 6.343 820 H ALA 107 HN ALA 107 23.781 3.314 3.314 821 HA ALA 107 HA ALA 107 21.097 4.308 4.308 822 1HB ALA 107 HB2 ALA 107 22.494 1.807 1.807 823 2HB ALA 107 HB1 ALA 107 20.780 2.105 2.105 824 3HB ALA 107 HB3 ALA 107 21.400 1.984 1.984 825 H THR 108 HN THR 108 23.602 3.362 3.362 826 HA THR 108 HA THR 108 22.373 5.346 5.346 827 HB THR 108 HB THR 108 21.077 3.240 3.240 828 HG1 THR 108 HG1 THR 108 21.473 3.026 3.026 829 1HG2 THR 108 HG22 THR 108 23.055 1.789 1.789 830 2HG2 THR 108 HG21 THR 108 23.687 2.073 2.073 831 3HG2 THR 108 HG23 THR 108 22.156 1.235 1.235 832 H ASP 109 HN ASP 109 23.353 4.171 4.171 833 HA ASP 109 HA ASP 109 26.281 4.022 4.022 834 1HB ASP 109 HB2 ASP 109 25.683 6.444 6.444 835 2HB ASP 109 HB1 ASP 109 24.877 6.014 6.014 836 H ASN 110 HN ASN 110 23.445 2.771 2.771 837 HA ASN 110 HA ASN 110 24.389 2.080 2.080 838 1HB ASN 110 HB2 ASN 110 22.394 0.869 0.869 839 2HB ASN 110 HB1 ASN 110 21.894 2.142 2.142 840 1HD2 ASN 110 HD21 ASN 110 23.509 0.652 0.652 841 2HD2 ASN 110 HD22 ASN 110 22.462 -0.593 -0.593 842 H GLN 111 HN GLN 111 25.200 -0.096 -0.096 843 HA GLN 111 HA GLN 111 26.842 -1.070 -1.070 844 1HB GLN 111 HB2 GLN 111 28.018 -0.789 -0.789 845 2HB GLN 111 HB1 GLN 111 26.740 -1.480 -1.480 846 1HG GLN 111 HG2 GLN 111 27.268 -3.706 -3.706 847 2HG GLN 111 HG1 GLN 111 28.310 -3.107 -3.107 848 1HE2 GLN 111 HE21 GLN 111 28.023 -2.975 -2.975 849 2HE2 GLN 111 HE22 GLN 111 29.697 -2.981 -2.981 850 H ALA 112 HN ALA 112 23.720 -1.901 -1.901 851 HA ALA 112 HA ALA 112 24.015 -4.816 -4.816 852 1HB ALA 112 HB3 ALA 112 21.584 -3.051 -3.051 853 2HB ALA 112 HB2 ALA 112 21.547 -4.812 -4.812 854 3HB ALA 112 HB1 ALA 112 22.045 -3.882 -3.882 855 H ILE 113 HN ILE 113 22.894 -2.275 -2.275 856 HA ILE 113 HA ILE 113 22.531 -3.911 -3.911 857 HB ILE 113 HB ILE 113 22.808 -0.952 -0.952 858 1HG1 ILE 113 HG12 ILE 113 20.406 -2.253 -2.253 859 2HG1 ILE 113 HG11 ILE 113 20.779 -2.659 -2.659 860 1HG2 ILE 113 HG23 ILE 113 22.471 -2.355 -2.355 861 2HG2 ILE 113 HG22 ILE 113 22.043 -0.663 -0.663 862 3HG2 ILE 113 HG21 ILE 113 23.706 -1.188 -1.188 863 1HD1 ILE 113 HD12 ILE 113 20.748 -0.280 -0.280 864 2HD1 ILE 113 HD11 ILE 113 20.362 0.157 0.157 865 3HD1 ILE 113 HD13 ILE 113 19.217 -0.775 -0.775 866 H LYS 114 HN LYS 114 25.025 -1.748 -1.748 867 HA LYS 114 HA LYS 114 26.701 -1.986 -1.986 868 1HB LYS 114 HB2 LYS 114 27.531 -1.701 -1.701 869 2HB LYS 114 HB1 LYS 114 28.480 -1.219 -1.219 870 1HG LYS 114 HG2 LYS 114 25.710 -0.098 -0.098 871 2HG LYS 114 HG1 LYS 114 27.129 0.633 0.633 872 1HD LYS 114 HD2 LYS 114 28.081 0.657 0.657 873 2HD LYS 114 HD1 LYS 114 26.396 0.446 0.446 874 1HE LYS 114 HE2 LYS 114 26.723 2.793 2.793 875 2HE LYS 114 HE1 LYS 114 25.895 2.447 2.447 876 1HZ LYS 114 HZ1 LYS 114 28.808 2.350 2.350 877 2HZ LYS 114 HZ3 LYS 114 28.100 3.885 3.885 878 3HZ LYS 114 HZ2 LYS 114 27.727 2.902 2.902 879 H ALA 115 HN ALA 115 25.693 -4.297 -4.297 880 HA ALA 115 HA ALA 115 27.959 -6.032 -6.032 881 1HB ALA 115 HB1 ALA 115 25.811 -6.162 -6.162 882 2HB ALA 115 HB3 ALA 115 25.110 -7.016 -7.016 883 3HB ALA 115 HB2 ALA 115 26.523 -7.678 -7.678 884 H LEU 116 HN LEU 116 25.223 -5.641 -5.641 885 HA LEU 116 HA LEU 116 26.081 -7.934 -7.934 886 1HB LEU 116 HB2 LEU 116 24.105 -5.758 -5.758 887 2HB LEU 116 HB1 LEU 116 24.740 -6.463 -6.463 888 HG LEU 116 HG LEU 116 23.098 -7.772 -7.772 889 1HD1 LEU 116 HD13 LEU 116 22.948 -7.689 -7.689 890 2HD1 LEU 116 HD12 LEU 116 21.804 -8.537 -8.537 891 3HD1 LEU 116 HD11 LEU 116 21.930 -6.778 -6.778 892 1HD2 LEU 116 HD21 LEU 116 25.061 -9.108 -9.108 893 2HD2 LEU 116 HD23 LEU 116 24.628 -9.538 -9.538 894 3HD2 LEU 116 HD22 LEU 116 23.530 -9.915 -9.915 895 H LEU 117 HN LEU 117 27.100 -4.599 -4.599 896 HA LEU 117 HA LEU 117 28.412 -4.848 -4.848 897 1HB LEU 117 HB2 LEU 117 28.677 -2.594 -2.594 898 2HB LEU 117 HB1 LEU 117 27.572 -2.743 -2.743 899 HG LEU 117 HG LEU 117 29.742 -3.120 -3.120 900 1HD1 LEU 117 HD11 LEU 117 30.924 -2.686 -2.686 901 2HD1 LEU 117 HD13 LEU 117 31.296 -1.270 -1.270 902 3HD1 LEU 117 HD12 LEU 117 31.741 -2.877 -2.877 903 1HD2 LEU 117 HD22 LEU 117 28.106 -0.992 -0.992 904 2HD2 LEU 117 HD21 LEU 117 29.589 -0.912 -0.912 905 3HD2 LEU 117 HD23 LEU 117 29.559 -0.283 -0.283 906 H GLN 118 HN GLN 118 28.926 -6.368 -6.368 907 HA GLN 118 HA GLN 118 31.740 -6.085 -6.085 908 1HB GLN 118 HB2 GLN 118 31.511 -7.934 -7.934 909 2HB GLN 118 HB1 GLN 118 29.919 -7.195 -7.195 910 1HG GLN 118 HG2 GLN 118 29.365 -9.441 -9.441 911 2HG GLN 118 HG1 GLN 118 29.411 -8.851 -8.851 912 1HE2 GLN 118 HE21 GLN 118 30.825 -9.934 -9.934 913 2HE2 GLN 118 HE22 GLN 118 32.045 -11.006 -11.006 Start of MODEL 37 1 1H MET 1 HT1 MET 1 -8.164 -10.290 -10.290 2 2H MET 1 HT3 MET 1 -9.014 -9.448 -9.448 3 3H MET 1 HT2 MET 1 -7.512 -8.869 -8.869 4 HA MET 1 HA MET 1 -8.695 -7.526 -7.526 5 1HB MET 1 HB2 MET 1 -11.037 -7.929 -7.929 6 2HB MET 1 HB1 MET 1 -10.779 -8.213 -8.213 7 1HG MET 1 HG2 MET 1 -10.480 -10.679 -10.679 8 2HG MET 1 HG1 MET 1 -11.045 -10.300 -10.300 9 1HE MET 1 HE3 MET 1 -12.647 -12.337 -12.337 10 2HE MET 1 HE2 MET 1 -13.953 -12.105 -12.105 11 3HE MET 1 HE1 MET 1 -12.292 -12.172 -12.172 12 H CYS 2 HN CYS 2 -10.330 -8.271 -8.271 13 HA CYS 2 HA CYS 2 -9.905 -8.785 -8.785 14 1HB CYS 2 HB2 CYS 2 -9.822 -11.143 -11.143 15 2HB CYS 2 HB1 CYS 2 -10.757 -10.938 -10.938 16 HG CYS 2 HG CYS 2 -9.113 -12.577 -12.577 17 H ASP 3 HN ASP 3 -7.596 -7.713 -7.713 18 HA ASP 3 HA ASP 3 -5.169 -9.008 -9.008 19 1HB ASP 3 HB2 ASP 3 -5.537 -6.001 -6.001 20 2HB ASP 3 HB1 ASP 3 -4.074 -6.893 -6.893 21 H LYS 4 HN LYS 4 -7.216 -7.038 -7.038 22 HA LYS 4 HA LYS 4 -5.559 -6.405 -6.405 23 1HB LYS 4 HB2 LYS 4 -8.296 -7.595 -7.595 24 2HB LYS 4 HB1 LYS 4 -7.494 -6.324 -6.324 25 1HG LYS 4 HG2 LYS 4 -7.477 -4.977 -4.977 26 2HG LYS 4 HG1 LYS 4 -8.649 -6.144 -6.144 27 1HD LYS 4 HD2 LYS 4 -8.961 -4.519 -4.519 28 2HD LYS 4 HD1 LYS 4 -9.691 -4.097 -4.097 29 1HE LYS 4 HE2 LYS 4 -10.745 -6.424 -6.424 30 2HE LYS 4 HE1 LYS 4 -10.244 -6.521 -6.521 31 1HZ LYS 4 HZ2 LYS 4 -11.444 -4.042 -4.042 32 2HZ LYS 4 HZ1 LYS 4 -12.462 -5.165 -5.165 33 3HZ LYS 4 HZ3 LYS 4 -12.068 -5.353 -5.353 34 H GLU 5 HN GLU 5 -7.619 -9.333 -9.333 35 HA GLU 5 HA GLU 5 -6.405 -10.608 -10.608 36 1HB GLU 5 HB2 GLU 5 -8.438 -11.410 -11.410 37 2HB GLU 5 HB1 GLU 5 -7.315 -12.085 -12.085 38 1HG GLU 5 HG2 GLU 5 -6.232 -13.410 -13.410 39 2HG GLU 5 HG1 GLU 5 -7.425 -12.781 -12.781 40 H PHE 6 HN PHE 6 -5.530 -11.257 -11.257 41 HA PHE 6 HA PHE 6 -3.251 -12.798 -12.798 42 1HB PHE 6 HB2 PHE 6 -4.214 -12.702 -12.702 43 2HB PHE 6 HB1 PHE 6 -3.752 -11.010 -11.010 44 HD1 PHE 6 HD2 PHE 6 -2.103 -14.228 -14.228 45 HD2 PHE 6 HD1 PHE 6 -1.828 -10.630 -10.630 46 HE1 PHE 6 HE2 PHE 6 0.138 -14.909 -14.909 47 HE2 PHE 6 HE1 PHE 6 0.412 -11.303 -11.303 48 HZ PHE 6 HZ PHE 6 1.404 -13.453 -13.453 49 H MET 7 HN MET 7 -3.279 -9.306 -9.306 50 HA MET 7 HA MET 7 -0.515 -8.806 -8.806 51 1HB MET 7 HB2 MET 7 -1.782 -7.164 -7.164 52 2HB MET 7 HB1 MET 7 -2.957 -7.065 -7.065 53 1HG MET 7 HG2 MET 7 -1.465 -5.917 -5.917 54 2HG MET 7 HG1 MET 7 -0.064 -6.383 -6.383 55 1HE MET 7 HE1 MET 7 -3.562 -4.866 -4.866 56 2HE MET 7 HE3 MET 7 -3.371 -3.677 -3.677 57 3HE MET 7 HE2 MET 7 -3.235 -5.380 -5.380 58 H TRP 8 HN TRP 8 -3.308 -8.136 -8.136 59 HA TRP 8 HA TRP 8 -1.945 -7.274 -7.274 60 1HB TRP 8 HB2 TRP 8 -4.425 -7.288 -7.288 61 2HB TRP 8 HB1 TRP 8 -4.419 -9.032 -9.032 62 HD1 TRP 8 HD1 TRP 8 -4.491 -9.853 -9.853 63 HE1 TRP 8 HE1 TRP 8 -4.315 -8.720 -8.720 64 HE3 TRP 8 HE3 TRP 8 -3.131 -5.144 -5.144 65 HZ2 TRP 8 HZ2 TRP 8 -3.700 -6.123 -6.123 66 HZ3 TRP 8 HZ3 TRP 8 -2.782 -3.374 -3.374 67 HH2 TRP 8 HH2 TRP 8 -3.041 -3.856 -3.856 68 H ALA 9 HN ALA 9 -1.591 -10.414 -10.414 69 HA ALA 9 HA ALA 9 -1.052 -11.651 -11.651 70 1HB ALA 9 HB2 ALA 9 -0.654 -12.694 -12.694 71 2HB ALA 9 HB1 ALA 9 -0.434 -13.628 -13.628 72 3HB ALA 9 HB3 ALA 9 -2.029 -13.021 -13.021 73 H LEU 10 HN LEU 10 0.835 -10.705 -10.705 74 HA LEU 10 HA LEU 10 3.393 -11.388 -11.388 75 1HB LEU 10 HB2 LEU 10 2.709 -8.974 -8.974 76 2HB LEU 10 HB1 LEU 10 4.265 -9.788 -9.788 77 HG LEU 10 HG LEU 10 2.479 -11.831 -11.831 78 1HD1 LEU 10 HD11 LEU 10 1.782 -9.280 -9.280 79 2HD1 LEU 10 HD13 LEU 10 1.386 -10.886 -10.886 80 3HD1 LEU 10 HD12 LEU 10 0.697 -10.349 -10.349 81 1HD2 LEU 10 HD22 LEU 10 4.230 -10.129 -10.129 82 2HD2 LEU 10 HD21 LEU 10 4.687 -11.619 -11.619 83 3HD2 LEU 10 HD23 LEU 10 3.503 -11.669 -11.669 84 H LYS 11 HN LYS 11 1.146 -9.189 -9.189 85 HA LYS 11 HA LYS 11 2.975 -7.168 -7.168 86 1HB LYS 11 HB2 LYS 11 0.755 -6.588 -6.588 87 2HB LYS 11 HB1 LYS 11 0.065 -7.744 -7.744 88 1HG LYS 11 HG2 LYS 11 0.036 -6.180 -6.180 89 2HG LYS 11 HG1 LYS 11 1.748 -5.828 -5.828 90 1HD LYS 11 HD2 LYS 11 -0.404 -4.692 -4.692 91 2HD LYS 11 HD1 LYS 11 0.148 -3.872 -3.872 92 1HE LYS 11 HE2 LYS 11 2.234 -3.400 -3.400 93 2HE LYS 11 HE1 LYS 11 2.234 -4.849 -4.849 94 1HZ LYS 11 HZ2 LYS 11 0.325 -2.693 -2.693 95 2HZ LYS 11 HZ1 LYS 11 1.918 -2.549 -2.549 96 3HZ LYS 11 HZ3 LYS 11 0.959 -3.852 -3.852 97 H ASN 12 HN ASN 12 0.382 -8.780 -8.780 98 HA ASN 12 HA ASN 12 1.821 -8.596 -8.596 99 1HB ASN 12 HB2 ASN 12 -0.682 -8.313 -8.313 100 2HB ASN 12 HB1 ASN 12 -0.769 -10.077 -10.077 101 1HD2 ASN 12 HD21 ASN 12 0.823 -7.706 -7.706 102 2HD2 ASN 12 HD22 ASN 12 0.393 -8.532 -8.532 103 H GLY 13 HN GLY 13 2.855 -10.453 -10.453 104 1HA GLY 13 HA2 GLY 13 3.957 -12.492 -12.492 105 2HA GLY 13 HA1 GLY 13 3.700 -12.485 -12.485 106 H ASP 14 HN ASP 14 0.895 -12.354 -12.354 107 HA ASP 14 HA ASP 14 -0.095 -14.802 -14.802 108 1HB ASP 14 HB2 ASP 14 -1.322 -13.731 -13.731 109 2HB ASP 14 HB1 ASP 14 -2.071 -14.389 -14.389 110 H LEU 15 HN LEU 15 2.179 -15.400 -15.400 111 HA LEU 15 HA LEU 15 2.799 -16.063 -16.063 112 1HB LEU 15 HB2 LEU 15 4.327 -16.200 -16.200 113 2HB LEU 15 HB1 LEU 15 3.414 -17.525 -17.525 114 HG LEU 15 HG LEU 15 5.548 -18.131 -18.131 115 1HD1 LEU 15 HD11 LEU 15 3.073 -19.511 -19.511 116 2HD1 LEU 15 HD13 LEU 15 3.681 -19.731 -19.731 117 3HD1 LEU 15 HD12 LEU 15 4.678 -20.185 -20.185 118 1HD2 LEU 15 HD21 LEU 15 4.942 -16.441 -16.441 119 2HD2 LEU 15 HD23 LEU 15 5.698 -17.956 -17.956 120 3HD2 LEU 15 HD22 LEU 15 3.960 -17.755 -17.755 121 H ASP 16 HN ASP 16 0.561 -17.576 -17.576 122 HA ASP 16 HA ASP 16 0.232 -20.055 -20.055 123 1HB ASP 16 HB2 ASP 16 -1.903 -18.548 -18.548 124 2HB ASP 16 HB1 ASP 16 -1.749 -20.284 -20.284 125 H GLU 17 HN GLU 17 -1.192 -16.865 -16.865 126 HA GLU 17 HA GLU 17 -3.177 -17.827 -17.827 127 1HB GLU 17 HB2 GLU 17 -2.226 -15.113 -15.113 128 2HB GLU 17 HB1 GLU 17 -3.305 -15.263 -15.263 129 1HG GLU 17 HG2 GLU 17 -3.896 -16.532 -16.532 130 2HG GLU 17 HG1 GLU 17 -4.434 -14.900 -14.900 131 H VAL 18 HN VAL 18 -0.032 -16.177 -16.177 132 HA VAL 18 HA VAL 18 -0.146 -16.007 -16.007 133 HB VAL 18 HB VAL 18 2.591 -16.343 -16.343 134 1HG1 VAL 18 HG11 VAL 18 1.401 -14.430 -14.430 135 2HG1 VAL 18 HG13 VAL 18 1.197 -13.689 -13.689 136 3HG1 VAL 18 HG12 VAL 18 2.812 -14.028 -14.028 137 1HG2 VAL 18 HG23 VAL 18 1.697 -16.519 -16.519 138 2HG2 VAL 18 HG22 VAL 18 3.017 -15.401 -15.401 139 3HG2 VAL 18 HG21 VAL 18 1.382 -14.781 -14.781 140 H LYS 19 HN LYS 19 0.986 -18.431 -18.431 141 HA LYS 19 HA LYS 19 2.201 -20.220 -20.220 142 1HB LYS 19 HB2 LYS 19 2.233 -20.259 -20.259 143 2HB LYS 19 HB1 LYS 19 0.570 -20.833 -20.833 144 1HG LYS 19 HG2 LYS 19 1.162 -22.929 -22.929 145 2HG LYS 19 HG1 LYS 19 2.666 -22.333 -22.333 146 1HD LYS 19 HD2 LYS 19 2.307 -22.273 -22.273 147 2HD LYS 19 HD1 LYS 19 2.776 -23.782 -23.782 148 1HE LYS 19 HE2 LYS 19 4.325 -21.393 -21.393 149 2HE LYS 19 HE1 LYS 19 4.581 -21.913 -21.913 150 1HZ LYS 19 HZ3 LYS 19 5.032 -24.145 -24.145 151 2HZ LYS 19 HZ2 LYS 19 4.842 -23.603 -23.603 152 3HZ LYS 19 HZ1 LYS 19 6.113 -23.012 -23.012 153 H ASP 20 HN ASP 20 -1.186 -19.658 -19.658 154 HA ASP 20 HA ASP 20 -2.171 -22.050 -22.050 155 1HB ASP 20 HB2 ASP 20 -3.494 -20.638 -20.638 156 2HB ASP 20 HB1 ASP 20 -3.626 -19.414 -19.414 157 H TYR 21 HN TYR 21 -2.039 -18.683 -18.683 158 HA TYR 21 HA TYR 21 -3.095 -19.232 -19.232 159 1HB TYR 21 HB2 TYR 21 -1.168 -17.112 -17.112 160 2HB TYR 21 HB1 TYR 21 -1.788 -17.179 -17.179 161 HD1 TYR 21 HD1 TYR 21 -2.762 -16.814 -16.814 162 HD2 TYR 21 HD2 TYR 21 -4.019 -16.569 -16.569 163 HE1 TYR 21 HE1 TYR 21 -4.878 -15.696 -15.696 164 HE2 TYR 21 HE2 TYR 21 -6.137 -15.470 -15.470 165 HH TYR 21 HH TYR 21 -7.537 -15.538 -15.538 166 H VAL 22 HN VAL 22 0.402 -19.116 -19.116 167 HA VAL 22 HA VAL 22 1.223 -19.920 -19.920 168 HB VAL 22 HB VAL 22 2.743 -18.769 -18.769 169 1HG1 VAL 22 HG13 VAL 22 2.816 -21.465 -21.465 170 2HG1 VAL 22 HG12 VAL 22 3.851 -20.094 -20.094 171 3HG1 VAL 22 HG11 VAL 22 2.126 -19.984 -19.984 172 1HG2 VAL 22 HG23 VAL 22 3.661 -20.005 -20.005 173 2HG2 VAL 22 HG22 VAL 22 4.734 -20.118 -20.118 174 3HG2 VAL 22 HG21 VAL 22 3.700 -21.474 -21.474 175 H ALA 23 HN ALA 23 -0.002 -21.698 -21.698 176 HA ALA 23 HA ALA 23 1.101 -24.251 -24.251 177 1HB ALA 23 HB1 ALA 23 -0.569 -23.450 -23.450 178 2HB ALA 23 HB3 ALA 23 -1.824 -23.759 -23.759 179 3HB ALA 23 HB2 ALA 23 -0.812 -25.085 -25.085 180 H LYS 24 HN LYS 24 -1.019 -22.304 -22.304 181 HA LYS 24 HA LYS 24 -2.429 -24.090 -24.090 182 1HB LYS 24 HB2 LYS 24 -2.758 -21.651 -21.651 183 2HB LYS 24 HB1 LYS 24 -1.247 -21.442 -21.442 184 1HG LYS 24 HG2 LYS 24 -2.132 -22.525 -22.525 185 2HG LYS 24 HG1 LYS 24 -3.538 -23.110 -23.110 186 1HD LYS 24 HD2 LYS 24 -4.176 -21.170 -21.170 187 2HD LYS 24 HD1 LYS 24 -4.253 -20.765 -20.765 188 1HE LYS 24 HE2 LYS 24 -2.282 -19.489 -19.489 189 2HE LYS 24 HE1 LYS 24 -1.769 -20.209 -20.209 190 1HZ LYS 24 HZ1 LYS 24 -4.091 -19.180 -19.180 191 2HZ LYS 24 HZ3 LYS 24 -3.706 -18.108 -18.108 192 3HZ LYS 24 HZ2 LYS 24 -2.622 -18.290 -18.290 193 H GLY 25 HN GLY 25 0.145 -22.242 -22.242 194 1HA GLY 25 HA2 GLY 25 1.635 -24.609 -24.609 195 2HA GLY 25 HA1 GLY 25 0.734 -23.877 -23.877 196 H GLU 26 HN GLU 26 3.064 -23.064 -23.064 197 HA GLU 26 HA GLU 26 4.549 -21.223 -21.223 198 1HB GLU 26 HB2 GLU 26 6.199 -21.389 -21.389 199 2HB GLU 26 HB1 GLU 26 6.074 -22.734 -22.734 200 1HG GLU 26 HG2 GLU 26 4.551 -23.906 -23.906 201 2HG GLU 26 HG1 GLU 26 4.586 -22.518 -22.518 202 H ASP 27 HN ASP 27 3.576 -19.283 -19.283 203 HA ASP 27 HA ASP 27 3.633 -17.883 -17.883 204 1HB ASP 27 HB2 ASP 27 1.287 -17.770 -17.770 205 2HB ASP 27 HB1 ASP 27 1.418 -16.892 -16.892 206 H VAL 28 HN VAL 28 5.446 -17.841 -17.841 207 HA VAL 28 HA VAL 28 4.810 -15.591 -15.591 208 HB VAL 28 HB VAL 28 7.179 -15.884 -15.884 209 1HG1 VAL 28 HG12 VAL 28 5.239 -17.034 -17.034 210 2HG1 VAL 28 HG11 VAL 28 5.433 -18.351 -18.351 211 3HG1 VAL 28 HG13 VAL 28 6.683 -18.027 -18.027 212 1HG2 VAL 28 HG21 VAL 28 7.739 -16.986 -16.986 213 2HG2 VAL 28 HG23 VAL 28 8.550 -17.540 -17.540 214 3HG2 VAL 28 HG22 VAL 28 7.205 -18.471 -18.471 215 H ASN 29 HN ASN 29 4.355 -14.162 -14.162 216 HA ASN 29 HA ASN 29 6.364 -12.213 -12.213 217 1HB ASN 29 HB2 ASN 29 6.433 -12.567 -12.567 218 2HB ASN 29 HB1 ASN 29 7.500 -13.541 -13.541 219 1HD2 ASN 29 HD21 ASN 29 6.649 -15.801 -15.801 220 2HD2 ASN 29 HD22 ASN 29 5.610 -16.545 -16.545 221 H ARG 30 HN ARG 30 3.649 -12.472 -12.472 222 HA ARG 30 HA ARG 30 2.071 -11.288 -11.288 223 1HB ARG 30 HB2 ARG 30 1.339 -12.464 -12.464 224 2HB ARG 30 HB1 ARG 30 0.161 -11.650 -11.650 225 1HG ARG 30 HG2 ARG 30 0.834 -13.234 -13.234 226 2HG ARG 30 HG1 ARG 30 1.725 -14.156 -14.156 227 1HD ARG 30 HD2 ARG 30 -0.316 -14.485 -14.485 228 2HD ARG 30 HD1 ARG 30 -1.250 -13.558 -13.558 229 HE ARG 30 HE ARG 30 -0.614 -16.354 -16.354 230 1HH1 ARG 30 HH21 ARG 30 -0.696 -13.510 -13.510 231 2HH1 ARG 30 HH22 ARG 30 -0.563 -14.431 -14.431 232 1HH2 ARG 30 HH11 ARG 30 -0.459 -17.518 -17.518 233 2HH2 ARG 30 HH12 ARG 30 -0.438 -16.694 -16.694 234 H THR 31 HN THR 31 2.422 -9.117 -9.117 235 HA THR 31 HA THR 31 3.054 -7.443 -7.443 236 HB THR 31 HB THR 31 1.544 -6.826 -6.826 237 HG1 THR 31 HG1 THR 31 4.235 -6.193 -6.193 238 1HG2 THR 31 HG22 THR 31 2.524 -5.103 -5.103 239 2HG2 THR 31 HG21 THR 31 2.652 -4.489 -4.489 240 3HG2 THR 31 HG23 THR 31 1.056 -4.922 -4.922 241 H LEU 32 HN LEU 32 1.749 -7.631 -7.631 242 HA LEU 32 HA LEU 32 -1.148 -7.882 -7.882 243 1HB LEU 32 HB2 LEU 32 -1.354 -7.759 -7.759 244 2HB LEU 32 HB1 LEU 32 -0.215 -8.997 -8.997 245 HG LEU 32 HG LEU 32 0.610 -7.849 -7.849 246 1HD1 LEU 32 HD13 LEU 32 2.140 -8.544 -8.544 247 2HD1 LEU 32 HD12 LEU 32 2.368 -6.793 -6.793 248 3HD1 LEU 32 HD11 LEU 32 2.802 -7.592 -7.592 249 1HD2 LEU 32 HD21 LEU 32 -0.552 -5.572 -5.572 250 2HD2 LEU 32 HD23 LEU 32 0.816 -5.612 -5.612 251 3HD2 LEU 32 HD22 LEU 32 1.069 -5.269 -5.269 252 H GLU 33 HN GLU 33 0.989 -5.134 -5.134 253 HA GLU 33 HA GLU 33 -1.263 -3.388 -3.388 254 1HB GLU 33 HB2 GLU 33 0.902 -2.844 -2.844 255 2HB GLU 33 HB1 GLU 33 1.597 -2.720 -2.720 256 1HG GLU 33 HG2 GLU 33 1.041 -0.486 -0.486 257 2HG GLU 33 HG1 GLU 33 0.108 -0.832 -0.832 258 H GLY 34 HN GLY 34 1.116 -2.527 -2.527 259 1HA GLY 34 HA2 GLY 34 -0.859 -2.802 -2.802 260 2HA GLY 34 HA1 GLY 34 -0.432 -1.151 -1.151 261 H GLY 35 HN GLY 35 2.313 -1.916 -1.916 262 1HA GLY 35 HA2 GLY 35 3.501 -2.838 -2.838 263 2HA GLY 35 HA1 GLY 35 3.876 -1.188 -1.188 264 H ARG 36 HN ARG 36 3.350 -3.546 -3.546 265 HA ARG 36 HA ARG 36 6.308 -3.582 -3.582 266 1HB ARG 36 HB2 ARG 36 4.105 -3.976 -3.976 267 2HB ARG 36 HB1 ARG 36 5.792 -3.572 -3.572 268 1HG ARG 36 HG2 ARG 36 5.285 -1.444 -1.444 269 2HG ARG 36 HG1 ARG 36 3.613 -1.799 -1.799 270 1HD ARG 36 HD2 ARG 36 4.654 -2.009 -2.009 271 2HD ARG 36 HD1 ARG 36 5.783 -0.831 -0.831 272 HE ARG 36 HE ARG 36 3.141 -0.224 -0.224 273 1HH1 ARG 36 HH21 ARG 36 5.064 0.264 0.264 274 2HH1 ARG 36 HH22 ARG 36 4.032 1.498 1.498 275 1HH2 ARG 36 HH11 ARG 36 1.872 1.416 1.416 276 2HH2 ARG 36 HH12 ARG 36 2.259 2.197 2.197 277 H LYS 37 HN LYS 37 6.367 -5.571 -5.571 278 HA LYS 37 HA LYS 37 5.342 -8.017 -8.017 279 1HB LYS 37 HB2 LYS 37 7.852 -8.819 -8.819 280 2HB LYS 37 HB1 LYS 37 7.486 -8.333 -8.333 281 1HG LYS 37 HG2 LYS 37 9.451 -7.143 -7.143 282 2HG LYS 37 HG1 LYS 37 8.141 -5.978 -5.978 283 1HD LYS 37 HD2 LYS 37 7.629 -6.342 -6.342 284 2HD LYS 37 HD1 LYS 37 9.117 -7.277 -7.277 285 1HE LYS 37 HE2 LYS 37 8.706 -4.352 -4.352 286 2HE LYS 37 HE1 LYS 37 10.053 -5.250 -5.250 287 1HZ LYS 37 HZ1 LYS 37 10.702 -5.774 -5.774 288 2HZ LYS 37 HZ3 LYS 37 9.583 -4.612 -4.612 289 3HZ LYS 37 HZ2 LYS 37 10.883 -4.153 -4.153 290 HA PRO 38 HA PRO 38 4.509 -9.265 -9.265 291 1HB PRO 38 HB2 PRO 38 5.082 -12.007 -12.007 292 2HB PRO 38 HB1 PRO 38 3.602 -11.282 -11.282 293 1HG PRO 38 HG2 PRO 38 5.790 -12.511 -12.511 294 2HG PRO 38 HG1 PRO 38 4.183 -12.018 -12.018 295 1HD PRO 38 HD2 PRO 38 6.717 -10.648 -10.648 296 2HD PRO 38 HD1 PRO 38 5.129 -10.193 -10.193 297 H LEU 39 HN LEU 39 7.521 -8.514 -8.514 298 HA LEU 39 HA LEU 39 8.653 -10.064 -10.064 299 1HB LEU 39 HB2 LEU 39 9.728 -9.947 -9.947 300 2HB LEU 39 HB1 LEU 39 10.322 -8.416 -8.416 301 HG LEU 39 HG LEU 39 12.037 -9.395 -9.395 302 1HD1 LEU 39 HD11 LEU 39 10.525 -10.030 -10.030 303 2HD1 LEU 39 HD13 LEU 39 10.245 -11.574 -11.574 304 3HD1 LEU 39 HD12 LEU 39 11.861 -11.147 -11.147 305 1HD2 LEU 39 HD23 LEU 39 11.960 -10.783 -10.783 306 2HD2 LEU 39 HD22 LEU 39 12.611 -11.667 -11.667 307 3HD2 LEU 39 HD21 LEU 39 10.951 -11.939 -11.939 308 H HIS 40 HN HIS 40 7.990 -6.845 -6.845 309 HA HIS 40 HA HIS 40 9.639 -5.429 -5.429 310 1HB HIS 40 HB2 HIS 40 8.708 -4.426 -4.426 311 2HB HIS 40 HB1 HIS 40 7.114 -4.435 -4.435 312 HD1 HIS 40 HD1 HIS 40 8.696 -3.774 -3.774 313 HD2 HIS 40 HD2 HIS 40 8.546 -1.506 -1.506 314 HE1 HIS 40 HE1 HIS 40 9.210 -1.403 -1.403 315 H TYR 41 HN TYR 41 6.302 -6.585 -6.585 316 HA TYR 41 HA TYR 41 5.588 -5.308 -5.308 317 1HB TYR 41 HB2 TYR 41 4.323 -7.710 -7.710 318 2HB TYR 41 HB1 TYR 41 3.541 -6.629 -6.629 319 HD1 TYR 41 HD1 TYR 41 4.946 -6.990 -6.990 320 HD2 TYR 41 HD2 TYR 41 2.734 -4.449 -4.449 321 HE1 TYR 41 HE1 TYR 41 4.312 -5.546 -5.546 322 HE2 TYR 41 HE2 TYR 41 2.116 -2.981 -2.981 323 HH TYR 41 HH TYR 41 3.014 -2.431 -2.431 324 H ALA 42 HN ALA 42 6.590 -8.535 -8.535 325 HA ALA 42 HA ALA 42 6.580 -9.730 -9.730 326 1HB ALA 42 HB3 ALA 42 6.550 -11.027 -11.027 327 2HB ALA 42 HB2 ALA 42 8.183 -10.464 -10.464 328 3HB ALA 42 HB1 ALA 42 7.895 -11.528 -11.528 329 H ALA 43 HN ALA 43 9.306 -8.759 -8.759 330 HA ALA 43 HA ALA 43 11.362 -8.814 -8.814 331 1HB ALA 43 HB1 ALA 43 11.619 -8.244 -8.244 332 2HB ALA 43 HB3 ALA 43 10.928 -6.657 -6.657 333 3HB ALA 43 HB2 ALA 43 12.465 -7.143 -7.143 334 H ASP 44 HN ASP 44 9.547 -5.804 -5.804 335 HA ASP 44 HA ASP 44 10.527 -4.281 -4.281 336 1HB ASP 44 HB2 ASP 44 9.296 -3.489 -3.489 337 2HB ASP 44 HB1 ASP 44 7.801 -3.949 -3.949 338 H CYS 45 HN CYS 45 7.950 -6.668 -6.668 339 HA CYS 45 HA CYS 45 7.770 -6.459 -6.459 340 1HB CYS 45 HB2 CYS 45 5.073 -6.042 -6.042 341 2HB CYS 45 HB1 CYS 45 6.186 -4.803 -4.803 342 HG CYS 45 HG CYS 45 5.404 -5.208 -5.208 343 H GLY 46 HN GLY 46 8.518 -8.621 -8.621 344 1HA GLY 46 HA2 GLY 46 6.100 -10.404 -10.404 345 2HA GLY 46 HA1 GLY 46 7.649 -10.691 -10.691 346 H GLN 47 HN GLN 47 7.620 -9.560 -9.560 347 HA GLN 47 HA GLN 47 8.517 -10.620 -10.620 348 1HB GLN 47 HB2 GLN 47 6.822 -12.820 -12.820 349 2HB GLN 47 HB1 GLN 47 7.677 -13.033 -13.033 350 1HG GLN 47 HG2 GLN 47 5.336 -12.313 -12.313 351 2HG GLN 47 HG1 GLN 47 6.474 -11.130 -11.130 352 1HE2 GLN 47 HE21 GLN 47 5.512 -11.653 -11.653 353 2HE2 GLN 47 HE22 GLN 47 4.874 -10.099 -10.099 354 H LEU 48 HN LEU 48 9.655 -10.905 -10.905 355 HA LEU 48 HA LEU 48 11.559 -11.702 -11.702 356 1HB LEU 48 HB2 LEU 48 12.166 -12.210 -12.210 357 2HB LEU 48 HB1 LEU 48 13.303 -12.603 -12.603 358 HG LEU 48 HG LEU 48 14.025 -10.463 -10.463 359 1HD1 LEU 48 HD11 LEU 48 11.167 -9.643 -9.643 360 2HD1 LEU 48 HD13 LEU 48 12.489 -8.505 -8.505 361 3HD1 LEU 48 HD12 LEU 48 12.509 -9.723 -9.723 362 1HD2 LEU 48 HD21 LEU 48 13.478 -10.516 -10.516 363 2HD2 LEU 48 HD23 LEU 48 13.325 -8.885 -8.885 364 3HD2 LEU 48 HD22 LEU 48 11.876 -9.849 -9.849 365 H GLU 49 HN GLU 49 9.295 -13.679 -13.679 366 HA GLU 49 HA GLU 49 10.701 -16.195 -16.195 367 1HB GLU 49 HB2 GLU 49 7.833 -16.121 -16.121 368 2HB GLU 49 HB1 GLU 49 9.058 -17.294 -17.294 369 1HG GLU 49 HG2 GLU 49 10.091 -15.419 -15.419 370 2HG GLU 49 HG1 GLU 49 8.583 -14.552 -14.552 371 H ILE 50 HN ILE 50 8.054 -14.087 -14.087 372 HA ILE 50 HA ILE 50 7.075 -15.644 -15.644 373 HB ILE 50 HB ILE 50 7.101 -12.637 -12.637 374 1HG1 ILE 50 HG12 ILE 50 5.845 -14.636 -14.636 375 2HG1 ILE 50 HG11 ILE 50 5.897 -12.898 -12.898 376 1HG2 ILE 50 HG23 ILE 50 6.464 -13.636 -13.636 377 2HG2 ILE 50 HG22 ILE 50 5.173 -14.501 -14.501 378 3HG2 ILE 50 HG21 ILE 50 5.166 -12.746 -12.746 379 1HD1 ILE 50 HD12 ILE 50 3.890 -14.149 -14.149 380 2HD1 ILE 50 HD11 ILE 50 3.572 -14.093 -14.093 381 3HD1 ILE 50 HD13 ILE 50 3.795 -12.605 -12.605 382 H LEU 51 HN LEU 51 9.379 -12.908 -12.908 383 HA LEU 51 HA LEU 51 9.784 -12.918 -12.918 384 1HB LEU 51 HB2 LEU 51 12.367 -12.430 -12.430 385 2HB LEU 51 HB1 LEU 51 11.105 -11.220 -11.220 386 HG LEU 51 HG LEU 51 12.361 -11.073 -11.073 387 1HD1 LEU 51 HD13 LEU 51 9.598 -11.190 -11.190 388 2HD1 LEU 51 HD12 LEU 51 10.001 -12.141 -12.141 389 3HD1 LEU 51 HD11 LEU 51 10.569 -10.476 -10.476 390 1HD2 LEU 51 HD22 LEU 51 12.885 -13.612 -13.612 391 2HD2 LEU 51 HD21 LEU 51 12.774 -12.852 -12.852 392 3HD2 LEU 51 HD23 LEU 51 11.402 -13.798 -13.798 393 H GLU 52 HN GLU 52 11.709 -14.952 -14.952 394 HA GLU 52 HA GLU 52 13.153 -16.372 -16.372 395 1HB GLU 52 HB2 GLU 52 12.007 -17.793 -17.793 396 2HB GLU 52 HB1 GLU 52 13.528 -18.074 -18.074 397 1HG GLU 52 HG2 GLU 52 14.396 -15.949 -15.949 398 2HG GLU 52 HG1 GLU 52 12.868 -15.621 -15.621 399 H PHE 53 HN PHE 53 9.773 -16.778 -16.778 400 HA PHE 53 HA PHE 53 9.407 -19.359 -19.359 401 1HB PHE 53 HB2 PHE 53 7.829 -18.448 -18.448 402 2HB PHE 53 HB1 PHE 53 7.438 -17.134 -17.134 403 HD1 PHE 53 HD1 PHE 53 7.682 -20.850 -20.850 404 HD2 PHE 53 HD2 PHE 53 5.455 -17.363 -17.363 405 HE1 PHE 53 HE1 PHE 53 5.956 -22.287 -22.287 406 HE2 PHE 53 HE2 PHE 53 3.727 -18.782 -18.782 407 HZ PHE 53 HZ PHE 53 3.981 -21.271 -21.271 408 H LEU 54 HN LEU 54 7.626 -16.654 -16.654 409 HA LEU 54 HA LEU 54 7.304 -17.938 -17.938 410 1HB LEU 54 HB2 LEU 54 6.695 -15.809 -15.809 411 2HB LEU 54 HB1 LEU 54 6.059 -15.948 -15.948 412 HG LEU 54 HG LEU 54 6.829 -13.755 -13.755 413 1HD1 LEU 54 HD11 LEU 54 8.011 -14.950 -14.950 414 2HD1 LEU 54 HD13 LEU 54 9.346 -15.257 -15.257 415 3HD1 LEU 54 HD12 LEU 54 8.958 -13.624 -13.624 416 1HD2 LEU 54 HD23 LEU 54 7.821 -13.880 -13.880 417 2HD2 LEU 54 HD22 LEU 54 8.704 -12.870 -12.870 418 3HD2 LEU 54 HD21 LEU 54 9.306 -14.464 -14.464 419 H LEU 55 HN LEU 55 10.254 -16.928 -16.928 420 HA LEU 55 HA LEU 55 11.529 -16.358 -16.358 421 1HB LEU 55 HB2 LEU 55 12.057 -15.354 -15.354 422 2HB LEU 55 HB1 LEU 55 12.955 -16.858 -16.858 423 HG LEU 55 HG LEU 55 13.380 -14.952 -14.952 424 1HD1 LEU 55 HD13 LEU 55 14.767 -15.293 -15.293 425 2HD1 LEU 55 HD12 LEU 55 15.573 -14.552 -14.552 426 3HD1 LEU 55 HD11 LEU 55 14.126 -13.815 -13.815 427 1HD2 LEU 55 HD22 LEU 55 14.583 -17.599 -17.599 428 2HD2 LEU 55 HD21 LEU 55 14.164 -17.012 -17.012 429 3HD2 LEU 55 HD23 LEU 55 15.602 -16.407 -16.407 430 H LEU 56 HN LEU 56 11.528 -18.931 -18.931 431 HA LEU 56 HA LEU 56 13.447 -20.511 -20.511 432 1HB LEU 56 HB2 LEU 56 12.353 -22.513 -22.513 433 2HB LEU 56 HB1 LEU 56 13.273 -21.317 -21.317 434 HG LEU 56 HG LEU 56 11.033 -20.148 -20.148 435 1HD1 LEU 56 HD13 LEU 56 10.116 -22.855 -22.855 436 2HD1 LEU 56 HD12 LEU 56 9.132 -21.841 -21.841 437 3HD1 LEU 56 HD11 LEU 56 9.573 -21.264 -21.264 438 1HD2 LEU 56 HD21 LEU 56 11.819 -22.755 -22.755 439 2HD2 LEU 56 HD23 LEU 56 12.145 -21.125 -21.125 440 3HD2 LEU 56 HD22 LEU 56 10.505 -21.762 -21.762 441 H LYS 57 HN LYS 57 10.043 -20.088 -20.088 442 HA LYS 57 HA LYS 57 9.803 -22.407 -22.407 443 1HB LYS 57 HB2 LYS 57 8.089 -20.195 -20.195 444 2HB LYS 57 HB1 LYS 57 7.897 -20.463 -20.463 445 1HG LYS 57 HG2 LYS 57 6.283 -21.862 -21.862 446 2HG LYS 57 HG1 LYS 57 7.607 -22.940 -22.940 447 1HD LYS 57 HD2 LYS 57 8.406 -23.001 -23.001 448 2HD LYS 57 HD1 LYS 57 7.314 -21.702 -21.702 449 1HE LYS 57 HE2 LYS 57 6.232 -24.278 -24.278 450 2HE LYS 57 HE1 LYS 57 6.558 -24.091 -24.091 451 1HZ LYS 57 HZ3 LYS 57 5.092 -21.905 -21.905 452 2HZ LYS 57 HZ2 LYS 57 4.267 -23.395 -23.395 453 3HZ LYS 57 HZ1 LYS 57 4.788 -22.763 -22.763 454 H GLY 58 HN GLY 58 9.214 -19.146 -19.146 455 1HA GLY 58 HA2 GLY 58 10.965 -19.680 -19.680 456 2HA GLY 58 HA1 GLY 58 9.867 -18.319 -18.319 457 H ALA 59 HN ALA 59 10.784 -16.417 -16.417 458 HA ALA 59 HA ALA 59 12.573 -15.896 -15.896 459 1HB ALA 59 HB3 ALA 59 13.916 -16.956 -16.956 460 2HB ALA 59 HB2 ALA 59 14.672 -15.562 -15.562 461 3HB ALA 59 HB1 ALA 59 14.401 -17.037 -17.037 462 H ASP 60 HN ASP 60 11.177 -14.168 -14.168 463 HA ASP 60 HA ASP 60 11.319 -12.224 -12.224 464 1HB ASP 60 HB2 ASP 60 9.264 -12.520 -12.520 465 2HB ASP 60 HB1 ASP 60 10.234 -11.750 -11.750 466 H ILE 61 HN ILE 61 13.361 -13.317 -13.317 467 HA ILE 61 HA ILE 61 14.508 -11.288 -11.288 468 HB ILE 61 HB ILE 61 15.133 -13.731 -13.731 469 1HG1 ILE 61 HG12 ILE 61 17.349 -11.657 -11.657 470 2HG1 ILE 61 HG11 ILE 61 16.459 -12.224 -12.224 471 1HG2 ILE 61 HG23 ILE 61 15.477 -13.340 -13.340 472 2HG2 ILE 61 HG22 ILE 61 17.121 -12.958 -12.958 473 3HG2 ILE 61 HG21 ILE 61 16.427 -14.529 -14.529 474 1HD1 ILE 61 HD13 ILE 61 17.280 -14.591 -14.591 475 2HD1 ILE 61 HD12 ILE 61 18.513 -13.637 -13.637 476 3HD1 ILE 61 HD11 ILE 61 18.349 -13.536 -13.536 477 H ASN 62 HN ASN 62 14.576 -11.711 -11.711 478 HA ASN 62 HA ASN 62 16.084 -9.164 -9.164 479 1HB ASN 62 HB2 ASN 62 17.361 -10.183 -10.183 480 2HB ASN 62 HB1 ASN 62 17.668 -10.986 -10.986 481 1HD2 ASN 62 HD21 ASN 62 14.644 -12.021 -12.021 482 2HD2 ASN 62 HD22 ASN 62 14.936 -13.429 -13.429 483 H ALA 63 HN ALA 63 13.668 -11.374 -11.374 484 HA ALA 63 HA ALA 63 12.864 -10.852 -10.852 485 1HB ALA 63 HB2 ALA 63 11.051 -10.339 -10.339 486 2HB ALA 63 HB1 ALA 63 10.500 -10.343 -10.343 487 3HB ALA 63 HB3 ALA 63 11.211 -11.797 -11.797 488 HA PRO 64 HA PRO 64 11.198 -6.094 -6.094 489 1HB PRO 64 HB2 PRO 64 14.128 -5.761 -5.761 490 2HB PRO 64 HB1 PRO 64 12.760 -4.865 -4.865 491 1HG PRO 64 HG2 PRO 64 14.023 -7.157 -7.157 492 2HG PRO 64 HG1 PRO 64 12.483 -6.411 -6.411 493 1HD PRO 64 HD2 PRO 64 12.668 -8.990 -8.990 494 2HD PRO 64 HD1 PRO 64 11.193 -8.042 -8.042 495 H ASP 65 HN ASP 65 10.843 -4.996 -4.996 496 HA ASP 65 HA ASP 65 12.900 -4.799 -4.799 497 1HB ASP 65 HB2 ASP 65 10.012 -5.734 -5.734 498 2HB ASP 65 HB1 ASP 65 10.840 -4.996 -4.996 499 H LYS 66 HN LYS 66 9.902 -3.700 -3.700 500 HA LYS 66 HA LYS 66 9.960 -1.113 -1.113 501 1HB LYS 66 HB2 LYS 66 7.912 -2.556 -2.556 502 2HB LYS 66 HB1 LYS 66 8.096 -2.037 -2.037 503 1HG LYS 66 HG2 LYS 66 7.890 -0.129 -0.129 504 2HG LYS 66 HG1 LYS 66 6.509 -0.673 -0.673 505 1HD LYS 66 HD2 LYS 66 8.108 0.145 0.145 506 2HD LYS 66 HD1 LYS 66 8.711 1.183 1.183 507 1HE LYS 66 HE2 LYS 66 5.901 1.052 1.052 508 2HE LYS 66 HE1 LYS 66 6.968 2.428 2.428 509 1HZ LYS 66 HZ3 LYS 66 6.761 1.737 1.737 510 2HZ LYS 66 HZ2 LYS 66 5.197 1.439 1.439 511 3HZ LYS 66 HZ1 LYS 66 5.904 2.970 2.970 512 H HIS 67 HN HIS 67 10.434 -2.475 -2.475 513 HA HIS 67 HA HIS 67 10.890 0.103 0.103 514 1HB HIS 67 HB2 HIS 67 11.161 -2.833 -2.833 515 2HB HIS 67 HB1 HIS 67 11.833 -1.590 -1.590 516 HD1 HIS 67 HD1 HIS 67 10.104 0.305 0.305 517 HD2 HIS 67 HD2 HIS 67 8.417 -3.167 -3.167 518 HE1 HIS 67 HE1 HIS 67 7.674 0.245 0.245 519 H HIS 68 HN HIS 68 12.738 -2.191 -2.191 520 HA HIS 68 HA HIS 68 15.028 -2.320 -2.320 521 1HB HIS 68 HB2 HIS 68 15.393 0.543 0.543 522 2HB HIS 68 HB1 HIS 68 16.037 -0.303 -0.303 523 HD1 HIS 68 HD1 HIS 68 13.674 -1.308 -1.308 524 HD2 HIS 68 HD2 HIS 68 13.617 2.422 2.422 525 HE1 HIS 68 HE1 HIS 68 11.870 0.037 0.037 526 H ILE 69 HN ILE 69 14.155 -3.042 -3.042 527 HA ILE 69 HA ILE 69 16.684 -2.567 -2.567 528 HB ILE 69 HB ILE 69 14.360 -1.144 -1.144 529 1HG1 ILE 69 HG12 ILE 69 16.652 -0.326 -0.326 530 2HG1 ILE 69 HG11 ILE 69 15.822 -0.202 -0.202 531 1HG2 ILE 69 HG21 ILE 69 13.621 -3.150 -3.150 532 2HG2 ILE 69 HG23 ILE 69 15.102 -3.024 -3.024 533 3HG2 ILE 69 HG22 ILE 69 13.912 -1.721 -1.721 534 1HD1 ILE 69 HD11 ILE 69 16.851 -2.506 -2.506 535 2HD1 ILE 69 HD13 ILE 69 17.965 -2.109 -2.109 536 3HD1 ILE 69 HD12 ILE 69 17.861 -1.076 -1.076 537 H THR 70 HN THR 70 16.997 -3.664 -3.664 538 HA THR 70 HA THR 70 16.084 -6.452 -6.452 539 HB THR 70 HB THR 70 18.306 -6.998 -6.998 540 HG1 THR 70 HG1 THR 70 19.662 -5.338 -5.338 541 1HG2 THR 70 HG23 THR 70 18.060 -5.227 -5.227 542 2HG2 THR 70 HG22 THR 70 18.751 -4.119 -4.119 543 3HG2 THR 70 HG21 THR 70 19.673 -5.504 -5.504 544 HA PRO 71 HA PRO 71 14.091 -4.673 -4.673 545 1HB PRO 71 HB2 PRO 71 13.026 -7.332 -7.332 546 2HB PRO 71 HB1 PRO 71 12.127 -5.888 -5.888 547 1HG PRO 71 HG2 PRO 71 12.565 -8.157 -8.157 548 2HG PRO 71 HG1 PRO 71 12.160 -6.540 -6.540 549 1HD PRO 71 HD2 PRO 71 14.765 -7.923 -7.923 550 2HD PRO 71 HD1 PRO 71 14.134 -6.584 -6.584 551 H LEU 72 HN LEU 72 16.601 -6.884 -6.884 552 HA LEU 72 HA LEU 72 16.570 -7.510 -7.510 553 1HB LEU 72 HB2 LEU 72 19.216 -6.914 -6.914 554 2HB LEU 72 HB1 LEU 72 18.745 -8.293 -8.293 555 HG LEU 72 HG LEU 72 19.136 -9.128 -9.128 556 1HD1 LEU 72 HD12 LEU 72 16.263 -9.032 -9.032 557 2HD1 LEU 72 HD11 LEU 72 16.582 -9.505 -9.505 558 3HD1 LEU 72 HD13 LEU 72 17.304 -10.401 -10.401 559 1HD2 LEU 72 HD21 LEU 72 18.099 -6.544 -6.544 560 2HD2 LEU 72 HD23 LEU 72 19.163 -7.651 -7.651 561 3HD2 LEU 72 HD22 LEU 72 17.407 -7.825 -7.825 562 H LEU 73 HN LEU 73 17.370 -4.722 -4.722 563 HA LEU 73 HA LEU 73 18.480 -3.055 -3.055 564 1HB LEU 73 HB2 LEU 73 17.150 -2.447 -2.447 565 2HB LEU 73 HB1 LEU 73 17.811 -1.220 -1.220 566 HG LEU 73 HG LEU 73 19.988 -2.815 -2.815 567 1HD1 LEU 73 HD13 LEU 73 18.564 -3.288 -3.288 568 2HD1 LEU 73 HD12 LEU 73 20.209 -3.781 -3.781 569 3HD1 LEU 73 HD11 LEU 73 18.852 -4.483 -4.483 570 1HD2 LEU 73 HD21 LEU 73 19.090 -0.726 -0.726 571 2HD2 LEU 73 HD23 LEU 73 20.221 -0.607 -0.607 572 3HD2 LEU 73 HD22 LEU 73 20.666 -1.469 -1.469 573 H SER 74 HN SER 74 15.347 -4.145 -4.145 574 HA SER 74 HA SER 74 13.727 -2.084 -2.084 575 1HB SER 74 HB2 SER 74 11.929 -3.531 -3.531 576 2HB SER 74 HB1 SER 74 13.116 -4.313 -4.313 577 HG SER 74 HG SER 74 12.102 -5.027 -5.027 578 H ALA 75 HN ALA 75 14.873 -5.003 -5.003 579 HA ALA 75 HA ALA 75 13.687 -4.243 -4.243 580 1HB ALA 75 HB1 ALA 75 15.783 -6.251 -6.251 581 2HB ALA 75 HB3 ALA 75 15.413 -5.969 -5.969 582 3HB ALA 75 HB2 ALA 75 14.154 -6.522 -6.522 583 H VAL 76 HN VAL 76 16.767 -3.622 -3.622 584 HA VAL 76 HA VAL 76 18.377 -2.789 -2.789 585 HB VAL 76 HB VAL 76 17.905 -1.625 -1.625 586 1HG1 VAL 76 HG11 VAL 76 19.853 -0.741 -0.741 587 2HG1 VAL 76 HG13 VAL 76 20.258 -0.641 -0.641 588 3HG1 VAL 76 HG12 VAL 76 18.877 0.235 0.235 589 1HG2 VAL 76 HG22 VAL 76 19.948 -3.451 -3.451 590 2HG2 VAL 76 HG21 VAL 76 18.724 -3.851 -3.851 591 3HG2 VAL 76 HG23 VAL 76 20.078 -2.797 -2.797 592 H TYR 77 HN TYR 77 16.250 -0.506 -0.506 593 HA TYR 77 HA TYR 77 16.531 1.457 1.457 594 1HB TYR 77 HB2 TYR 77 14.130 1.474 1.474 595 2HB TYR 77 HB1 TYR 77 15.133 2.825 2.825 596 HD1 TYR 77 HD2 TYR 77 17.315 3.247 3.247 597 HD2 TYR 77 HD1 TYR 77 14.707 0.076 0.076 598 HE1 TYR 77 HE2 TYR 77 18.577 3.014 3.014 599 HE2 TYR 77 HE1 TYR 77 15.974 -0.124 -0.124 600 HH TYR 77 HH TYR 77 18.931 0.920 0.920 601 H GLU 78 HN GLU 78 15.763 -1.105 -1.105 602 HA GLU 78 HA GLU 78 13.009 -0.423 -0.423 603 1HB GLU 78 HB2 GLU 78 13.318 -2.438 -2.438 604 2HB GLU 78 HB1 GLU 78 13.919 -3.278 -3.278 605 1HG GLU 78 HG2 GLU 78 11.577 -3.732 -3.732 606 2HG GLU 78 HG1 GLU 78 11.822 -2.513 -2.513 607 H GLY 79 HN GLY 79 16.177 -1.854 -1.854 608 1HA GLY 79 HA2 GLY 79 17.273 -1.803 -1.803 609 2HA GLY 79 HA1 GLY 79 15.702 -1.509 -1.509 610 H HIS 80 HN HIS 80 14.859 -3.717 -3.717 611 HA HIS 80 HA HIS 80 14.856 -5.870 -5.870 612 1HB HIS 80 HB2 HIS 80 13.949 -5.498 -5.498 613 2HB HIS 80 HB1 HIS 80 14.091 -7.132 -7.132 614 HD1 HIS 80 HD1 HIS 80 11.890 -7.938 -7.938 615 HD2 HIS 80 HD2 HIS 80 12.396 -3.940 -3.940 616 HE1 HIS 80 HE1 HIS 80 9.781 -7.263 -7.263 617 H VAL 81 HN VAL 81 16.341 -5.522 -5.522 618 HA VAL 81 HA VAL 81 17.933 -6.940 -6.940 619 HB VAL 81 HB VAL 81 20.163 -6.375 -6.375 620 1HG1 VAL 81 HG12 VAL 81 18.929 -5.210 -5.210 621 2HG1 VAL 81 HG11 VAL 81 18.775 -3.904 -3.904 622 3HG1 VAL 81 HG13 VAL 81 20.369 -4.539 -4.539 623 1HG2 VAL 81 HG23 VAL 81 18.749 -5.685 -5.685 624 2HG2 VAL 81 HG22 VAL 81 19.795 -4.403 -4.403 625 3HG2 VAL 81 HG21 VAL 81 18.086 -4.381 -4.381 626 H SER 82 HN SER 82 16.372 -8.346 -8.346 627 HA SER 82 HA SER 82 18.294 -10.373 -10.373 628 1HB SER 82 HB2 SER 82 15.600 -9.530 -9.530 629 2HB SER 82 HB1 SER 82 15.575 -11.247 -11.247 630 HG SER 82 HG SER 82 17.702 -10.991 -10.991 631 H CYS 83 HN CYS 83 16.152 -9.454 -9.454 632 HA CYS 83 HA CYS 83 15.970 -12.084 -12.084 633 1HB CYS 83 HB2 CYS 83 15.115 -10.367 -10.367 634 2HB CYS 83 HB1 CYS 83 14.100 -10.848 -10.848 635 HG CYS 83 HG CYS 83 14.580 -8.598 -8.598 636 H VAL 84 HN VAL 84 17.393 -8.907 -8.907 637 HA VAL 84 HA VAL 84 18.873 -9.543 -9.543 638 HB VAL 84 HB VAL 84 20.706 -8.100 -8.100 639 1HG1 VAL 84 HG12 VAL 84 18.539 -7.157 -7.157 640 2HG1 VAL 84 HG11 VAL 84 17.998 -7.042 -7.042 641 3HG1 VAL 84 HG13 VAL 84 19.397 -6.112 -6.112 642 1HG2 VAL 84 HG21 VAL 84 19.328 -8.718 -8.718 643 2HG2 VAL 84 HG23 VAL 84 21.037 -8.659 -8.659 644 3HG2 VAL 84 HG22 VAL 84 20.138 -7.170 -7.170 645 H LYS 85 HN LYS 85 19.813 -10.404 -10.404 646 HA LYS 85 HA LYS 85 22.260 -11.624 -11.624 647 1HB LYS 85 HB2 LYS 85 20.517 -11.386 -11.386 648 2HB LYS 85 HB1 LYS 85 21.396 -12.930 -12.930 649 1HG LYS 85 HG2 LYS 85 23.520 -11.754 -11.754 650 2HG LYS 85 HG1 LYS 85 22.687 -10.201 -10.201 651 1HD LYS 85 HD2 LYS 85 21.675 -10.796 -10.796 652 2HD LYS 85 HD1 LYS 85 22.949 -11.998 -11.998 653 1HE LYS 85 HE2 LYS 85 24.560 -10.034 -10.034 654 2HE LYS 85 HE1 LYS 85 23.211 -9.002 -9.002 655 1HZ LYS 85 HZ2 LYS 85 23.239 -10.604 -10.604 656 2HZ LYS 85 HZ1 LYS 85 24.876 -10.732 -10.732 657 3HZ LYS 85 HZ3 LYS 85 24.210 -9.207 -9.207 658 H LEU 86 HN LEU 86 19.388 -13.521 -13.521 659 HA LEU 86 HA LEU 86 20.463 -15.903 -15.903 660 1HB LEU 86 HB2 LEU 86 18.695 -16.901 -16.901 661 2HB LEU 86 HB1 LEU 86 18.326 -15.313 -15.313 662 HG LEU 86 HG LEU 86 16.336 -16.218 -16.218 663 1HD1 LEU 86 HD11 LEU 86 17.323 -13.808 -13.808 664 2HD1 LEU 86 HD13 LEU 86 16.714 -14.512 -14.512 665 3HD1 LEU 86 HD12 LEU 86 15.656 -14.334 -14.334 666 1HD2 LEU 86 HD23 LEU 86 17.902 -17.607 -17.607 667 2HD2 LEU 86 HD22 LEU 86 16.148 -17.610 -17.610 668 3HD2 LEU 86 HD21 LEU 86 16.978 -16.485 -16.485 669 H LEU 87 HN LEU 87 19.318 -13.155 -13.155 670 HA LEU 87 HA LEU 87 18.082 -14.376 -14.376 671 1HB LEU 87 HB2 LEU 87 18.448 -11.754 -11.754 672 2HB LEU 87 HB1 LEU 87 19.189 -11.764 -11.764 673 HG LEU 87 HG LEU 87 16.397 -12.779 -12.779 674 1HD1 LEU 87 HD13 LEU 87 17.344 -10.110 -10.110 675 2HD1 LEU 87 HD12 LEU 87 15.670 -10.654 -10.654 676 3HD1 LEU 87 HD11 LEU 87 16.467 -10.414 -10.414 677 1HD2 LEU 87 HD23 LEU 87 18.042 -12.357 -12.357 678 2HD2 LEU 87 HD22 LEU 87 17.115 -13.793 -13.793 679 3HD2 LEU 87 HD21 LEU 87 16.273 -12.347 -12.347 680 H LEU 88 HN LEU 88 21.290 -12.577 -12.577 681 HA LEU 88 HA LEU 88 21.904 -13.502 -13.502 682 1HB LEU 88 HB2 LEU 88 24.182 -12.921 -12.921 683 2HB LEU 88 HB1 LEU 88 23.220 -11.747 -11.747 684 HG LEU 88 HG LEU 88 25.031 -12.292 -12.292 685 1HD1 LEU 88 HD11 LEU 88 22.686 -12.327 -12.327 686 2HD1 LEU 88 HD13 LEU 88 22.817 -14.077 -14.077 687 3HD1 LEU 88 HD12 LEU 88 23.926 -13.172 -13.172 688 1HD2 LEU 88 HD22 LEU 88 25.278 -14.654 -14.654 689 2HD2 LEU 88 HD21 LEU 88 26.068 -14.308 -14.308 690 3HD2 LEU 88 HD23 LEU 88 24.574 -15.232 -15.232 691 H SER 89 HN SER 89 21.578 -15.301 -15.301 692 HA SER 89 HA SER 89 23.480 -17.352 -17.352 693 1HB SER 89 HB2 SER 89 21.460 -16.930 -16.930 694 2HB SER 89 HB1 SER 89 20.829 -18.305 -18.305 695 HG SER 89 HG SER 89 23.496 -18.189 -18.189 696 H LYS 90 HN LYS 90 20.741 -16.319 -16.319 697 HA LYS 90 HA LYS 90 20.615 -18.831 -18.831 698 1HB LYS 90 HB2 LYS 90 18.731 -16.485 -16.485 699 2HB LYS 90 HB1 LYS 90 18.531 -17.638 -17.638 700 1HG LYS 90 HG2 LYS 90 18.149 -19.442 -19.442 701 2HG LYS 90 HG1 LYS 90 18.760 -18.545 -18.545 702 1HD LYS 90 HD2 LYS 90 16.482 -17.203 -17.203 703 2HD LYS 90 HD1 LYS 90 16.064 -18.768 -18.768 704 1HE LYS 90 HE2 LYS 90 17.390 -16.506 -16.506 705 2HE LYS 90 HE1 LYS 90 15.702 -16.953 -16.953 706 1HZ LYS 90 HZ1 LYS 90 17.068 -19.293 -19.293 707 2HZ LYS 90 HZ3 LYS 90 17.952 -18.147 -18.147 708 3HZ LYS 90 HZ2 LYS 90 16.300 -18.372 -18.372 709 H GLY 91 HN GLY 91 21.862 -15.702 -15.702 710 1HA GLY 91 HA2 GLY 91 23.515 -15.328 -15.328 711 2HA GLY 91 HA1 GLY 91 22.142 -15.601 -15.601 712 H ALA 92 HN ALA 92 20.492 -13.982 -13.982 713 HA ALA 92 HA ALA 92 19.797 -11.749 -11.749 714 1HB ALA 92 HB2 ALA 92 20.221 -12.485 -12.485 715 2HB ALA 92 HB1 ALA 92 20.644 -10.805 -10.805 716 3HB ALA 92 HB3 ALA 92 19.040 -11.359 -11.359 717 H ASP 93 HN ASP 93 22.992 -12.512 -12.512 718 HA ASP 93 HA ASP 93 24.964 -11.222 -11.222 719 1HB ASP 93 HB2 ASP 93 22.809 -9.797 -9.797 720 2HB ASP 93 HB1 ASP 93 24.499 -9.326 -9.326 721 H LYS 94 HN LYS 94 23.876 -8.117 -8.117 722 HA LYS 94 HA LYS 94 23.386 -7.456 -7.456 723 1HB LYS 94 HB2 LYS 94 25.918 -7.870 -7.870 724 2HB LYS 94 HB1 LYS 94 25.925 -6.375 -6.375 725 1HG LYS 94 HG2 LYS 94 24.855 -6.642 -6.642 726 2HG LYS 94 HG1 LYS 94 26.454 -6.062 -6.062 727 1HD LYS 94 HD2 LYS 94 25.445 -3.990 -3.990 728 2HD LYS 94 HD1 LYS 94 24.997 -4.383 -4.383 729 1HE LYS 94 HE2 LYS 94 22.865 -3.912 -3.912 730 2HE LYS 94 HE1 LYS 94 22.924 -5.542 -5.542 731 1HZ LYS 94 HZ3 LYS 94 24.052 -4.431 -4.431 732 2HZ LYS 94 HZ2 LYS 94 23.425 -2.991 -2.991 733 3HZ LYS 94 HZ1 LYS 94 22.376 -4.244 -4.244 734 H THR 95 HN THR 95 24.976 -5.817 -5.817 735 HA THR 95 HA THR 95 22.674 -3.907 -3.907 736 HB THR 95 HB THR 95 25.024 -2.727 -2.727 737 HG1 THR 95 HG1 THR 95 25.693 -4.497 -4.497 738 1HG2 THR 95 HG22 THR 95 23.344 -2.193 -2.193 739 2HG2 THR 95 HG21 THR 95 24.885 -1.399 -1.399 740 3HG2 THR 95 HG23 THR 95 23.689 -1.159 -1.159 741 H VAL 96 HN VAL 96 22.647 -6.316 -6.316 742 HA VAL 96 HA VAL 96 23.705 -6.268 -6.268 743 HB VAL 96 HB VAL 96 22.187 -8.054 -8.054 744 1HG1 VAL 96 HG13 VAL 96 20.227 -7.506 -7.506 745 2HG1 VAL 96 HG12 VAL 96 21.145 -7.890 -7.890 746 3HG1 VAL 96 HG11 VAL 96 20.765 -9.155 -9.155 747 1HG2 VAL 96 HG22 VAL 96 23.590 -8.481 -8.481 748 2HG2 VAL 96 HG21 VAL 96 24.339 -8.589 -8.589 749 3HG2 VAL 96 HG23 VAL 96 23.117 -9.760 -9.760 750 H LYS 97 HN LYS 97 21.229 -4.407 -4.407 751 HA LYS 97 HA LYS 97 20.497 -3.498 -3.498 752 1HB LYS 97 HB2 LYS 97 18.864 -5.493 -5.493 753 2HB LYS 97 HB1 LYS 97 17.928 -3.994 -3.994 754 1HG LYS 97 HG2 LYS 97 18.079 -3.629 -3.629 755 2HG LYS 97 HG1 LYS 97 19.220 -4.959 -4.959 756 1HD LYS 97 HD2 LYS 97 17.369 -6.458 -6.458 757 2HD LYS 97 HD1 LYS 97 16.292 -5.098 -5.098 758 1HE LYS 97 HE2 LYS 97 16.166 -6.504 -6.504 759 2HE LYS 97 HE1 LYS 97 17.185 -5.136 -5.136 760 1HZ LYS 97 HZ3 LYS 97 18.753 -7.196 -7.196 761 2HZ LYS 97 HZ2 LYS 97 17.816 -7.850 -7.850 762 3HZ LYS 97 HZ1 LYS 97 18.856 -6.553 -6.553 763 H GLY 98 HN GLY 98 20.846 -2.822 -2.822 764 1HA GLY 98 HA2 GLY 98 19.032 -0.532 -0.532 765 2HA GLY 98 HA1 GLY 98 20.332 -0.823 -0.823 766 HA PRO 99 HA PRO 99 21.126 2.742 2.742 767 1HB PRO 99 HB2 PRO 99 22.150 3.746 3.746 768 2HB PRO 99 HB1 PRO 99 21.350 4.653 4.653 769 1HG PRO 99 HG2 PRO 99 20.034 3.863 3.863 770 2HG PRO 99 HG1 PRO 99 19.209 4.003 4.003 771 1HD PRO 99 HD2 PRO 99 19.876 1.561 1.561 772 2HD PRO 99 HD1 PRO 99 18.750 1.764 1.764 773 H ASP 100 HN ASP 100 23.326 2.338 2.338 774 HA ASP 100 HA ASP 100 25.268 0.784 0.784 775 1HB ASP 100 HB2 ASP 100 25.528 3.042 3.042 776 2HB ASP 100 HB1 ASP 100 25.926 3.704 3.704 777 H GLY 101 HN GLY 101 26.958 2.937 2.937 778 1HA GLY 101 HA2 GLY 101 27.520 1.142 1.142 779 2HA GLY 101 HA1 GLY 101 27.910 2.858 2.858 780 H LEU 102 HN LEU 102 24.583 2.530 2.530 781 HA LEU 102 HA LEU 102 23.893 3.649 3.649 782 1HB LEU 102 HB2 LEU 102 22.347 3.504 3.504 783 2HB LEU 102 HB1 LEU 102 22.028 1.839 1.839 784 HG LEU 102 HG LEU 102 21.597 4.263 4.263 785 1HD1 LEU 102 HD13 LEU 102 19.764 2.717 2.717 786 2HD1 LEU 102 HD12 LEU 102 19.121 3.497 3.497 787 3HD1 LEU 102 HD11 LEU 102 19.890 4.466 4.466 788 1HD2 LEU 102 HD22 LEU 102 21.229 1.356 1.356 789 2HD2 LEU 102 HD21 LEU 102 21.881 2.601 2.601 790 3HD2 LEU 102 HD23 LEU 102 20.151 2.490 2.490 791 H THR 103 HN THR 103 22.901 0.418 0.418 792 HA THR 103 HA THR 103 22.364 -1.231 -1.231 793 HB THR 103 HB THR 103 24.397 -2.137 -2.137 794 HG1 THR 103 HG1 THR 103 23.988 -2.025 -2.025 795 1HG2 THR 103 HG21 THR 103 25.721 0.248 0.248 796 2HG2 THR 103 HG23 THR 103 26.589 -1.085 -1.085 797 3HG2 THR 103 HG22 THR 103 25.543 -0.048 -0.048 798 H ALA 104 HN ALA 104 24.924 -0.551 -0.551 799 HA ALA 104 HA ALA 104 23.126 0.459 0.459 800 1HB ALA 104 HB1 ALA 104 24.714 -1.530 -1.530 801 2HB ALA 104 HB3 ALA 104 25.969 -0.318 -0.318 802 3HB ALA 104 HB2 ALA 104 24.671 -0.397 -0.397 803 H LEU 105 HN LEU 105 25.979 1.523 1.523 804 HA LEU 105 HA LEU 105 26.955 3.490 3.490 805 1HB LEU 105 HB2 LEU 105 26.618 3.915 3.915 806 2HB LEU 105 HB1 LEU 105 27.880 4.525 4.525 807 HG LEU 105 HG LEU 105 27.414 1.647 1.647 808 1HD1 LEU 105 HD11 LEU 105 28.486 3.276 3.276 809 2HD1 LEU 105 HD13 LEU 105 29.769 3.466 3.466 810 3HD1 LEU 105 HD12 LEU 105 29.484 1.893 1.893 811 1HD2 LEU 105 HD23 LEU 105 29.182 2.970 2.970 812 2HD2 LEU 105 HD22 LEU 105 28.197 1.500 1.500 813 3HD2 LEU 105 HD21 LEU 105 29.691 1.476 1.476 814 H GLU 106 HN GLU 106 24.470 4.085 4.085 815 HA GLU 106 HA GLU 106 24.077 6.729 6.729 816 1HB GLU 106 HB2 GLU 106 23.774 7.172 7.172 817 2HB GLU 106 HB1 GLU 106 23.493 5.499 5.499 818 1HG GLU 106 HG2 GLU 106 21.527 6.656 6.656 819 2HG GLU 106 HG1 GLU 106 21.107 5.782 5.782 820 H ALA 107 HN ALA 107 22.822 3.648 3.648 821 HA ALA 107 HA ALA 107 20.094 4.440 4.440 822 1HB ALA 107 HB2 ALA 107 20.697 2.159 2.159 823 2HB ALA 107 HB1 ALA 107 21.592 1.952 1.952 824 3HB ALA 107 HB3 ALA 107 19.846 2.164 2.164 825 H THR 108 HN THR 108 22.915 3.784 3.784 826 HA THR 108 HA THR 108 21.427 5.122 5.122 827 HB THR 108 HB THR 108 20.685 2.780 2.780 828 HG1 THR 108 HG1 THR 108 20.914 3.734 3.734 829 1HG2 THR 108 HG22 THR 108 23.137 2.169 2.169 830 2HG2 THR 108 HG21 THR 108 23.470 1.902 1.902 831 3HG2 THR 108 HG23 THR 108 22.213 0.999 0.999 832 H ASP 109 HN ASP 109 22.824 3.994 3.994 833 HA ASP 109 HA ASP 109 25.715 4.268 4.268 834 1HB ASP 109 HB2 ASP 109 25.060 6.598 6.598 835 2HB ASP 109 HB1 ASP 109 24.118 6.080 6.080 836 H ASN 110 HN ASN 110 23.098 2.700 2.700 837 HA ASN 110 HA ASN 110 24.247 1.912 1.912 838 1HB ASN 110 HB2 ASN 110 22.450 0.067 0.067 839 2HB ASN 110 HB1 ASN 110 21.850 1.737 1.737 840 1HD2 ASN 110 HD21 ASN 110 23.395 1.042 1.042 841 2HD2 ASN 110 HD22 ASN 110 22.021 0.727 0.727 842 H GLN 111 HN GLN 111 25.471 -0.023 -0.023 843 HA GLN 111 HA GLN 111 26.863 -0.872 -0.872 844 1HB GLN 111 HB2 GLN 111 28.179 -0.368 -0.368 845 2HB GLN 111 HB1 GLN 111 27.211 -1.406 -1.406 846 1HG GLN 111 HG2 GLN 111 28.143 -3.384 -3.384 847 2HG GLN 111 HG1 GLN 111 28.588 -2.671 -2.671 848 1HE2 GLN 111 HE21 GLN 111 29.647 -3.166 -3.166 849 2HE2 GLN 111 HE22 GLN 111 31.201 -2.496 -2.496 850 H ALA 112 HN ALA 112 23.996 -1.967 -1.967 851 HA ALA 112 HA ALA 112 24.512 -4.844 -4.844 852 1HB ALA 112 HB2 ALA 112 21.988 -3.217 -3.217 853 2HB ALA 112 HB1 ALA 112 22.001 -4.974 -4.974 854 3HB ALA 112 HB3 ALA 112 22.639 -4.196 -4.196 855 H ILE 113 HN ILE 113 23.132 -2.388 -2.388 856 HA ILE 113 HA ILE 113 22.526 -3.975 -3.975 857 HB ILE 113 HB ILE 113 23.115 -1.017 -1.017 858 1HG1 ILE 113 HG12 ILE 113 20.720 -0.615 -0.615 859 2HG1 ILE 113 HG11 ILE 113 20.383 -2.302 -2.302 860 1HG2 ILE 113 HG23 ILE 113 23.279 -2.112 -2.112 861 2HG2 ILE 113 HG22 ILE 113 21.547 -2.127 -2.127 862 3HG2 ILE 113 HG21 ILE 113 22.394 -0.607 -0.607 863 1HD1 ILE 113 HD12 ILE 113 21.905 -1.415 -1.415 864 2HD1 ILE 113 HD11 ILE 113 20.154 -1.426 -1.426 865 3HD1 ILE 113 HD13 ILE 113 21.037 -2.920 -2.920 866 H LYS 114 HN LYS 114 25.019 -1.667 -1.667 867 HA LYS 114 HA LYS 114 26.556 -1.772 -1.772 868 1HB LYS 114 HB2 LYS 114 27.626 -1.654 -1.654 869 2HB LYS 114 HB1 LYS 114 28.424 -1.041 -1.041 870 1HG LYS 114 HG2 LYS 114 25.653 -0.012 -0.012 871 2HG LYS 114 HG1 LYS 114 27.046 0.640 0.640 872 1HD LYS 114 HD2 LYS 114 28.051 1.048 1.048 873 2HD LYS 114 HD1 LYS 114 26.438 0.726 0.726 874 1HE LYS 114 HE2 LYS 114 25.511 2.536 2.536 875 2HE LYS 114 HE1 LYS 114 27.075 2.828 2.828 876 1HZ LYS 114 HZ2 LYS 114 26.657 2.987 2.987 877 2HZ LYS 114 HZ1 LYS 114 26.503 4.335 4.335 878 3HZ LYS 114 HZ3 LYS 114 27.996 3.532 3.532 879 H ALA 115 HN ALA 115 25.888 -4.287 -4.287 880 HA ALA 115 HA ALA 115 28.208 -5.885 -5.885 881 1HB ALA 115 HB2 ALA 115 26.233 -6.179 -6.179 882 2HB ALA 115 HB1 ALA 115 25.418 -6.993 -6.993 883 3HB ALA 115 HB3 ALA 115 26.940 -7.648 -7.648 884 H LEU 116 HN LEU 116 25.088 -5.754 -5.754 885 HA LEU 116 HA LEU 116 25.988 -7.751 -7.751 886 1HB LEU 116 HB2 LEU 116 23.703 -5.870 -5.870 887 2HB LEU 116 HB1 LEU 116 24.216 -6.354 -6.354 888 HG LEU 116 HG LEU 116 23.066 -8.060 -8.060 889 1HD1 LEU 116 HD11 LEU 116 21.585 -6.985 -6.985 890 2HD1 LEU 116 HD13 LEU 116 22.469 -7.751 -7.751 891 3HD1 LEU 116 HD12 LEU 116 21.547 -8.738 -8.738 892 1HD2 LEU 116 HD23 LEU 116 24.889 -8.926 -8.926 893 2HD2 LEU 116 HD22 LEU 116 24.719 -9.603 -9.603 894 3HD2 LEU 116 HD21 LEU 116 23.509 -9.947 -9.947 895 H LEU 117 HN LEU 117 27.222 -4.875 -4.875 896 HA LEU 117 HA LEU 117 27.718 -4.026 -4.026 897 1HB LEU 117 HB2 LEU 117 27.756 -2.565 -2.565 898 2HB LEU 117 HB1 LEU 117 29.399 -3.166 -3.166 899 HG LEU 117 HG LEU 117 29.459 -1.060 -1.060 900 1HD1 LEU 117 HD12 LEU 117 30.875 -3.107 -3.107 901 2HD1 LEU 117 HD11 LEU 117 29.792 -3.193 -3.193 902 3HD1 LEU 117 HD13 LEU 117 30.761 -1.746 -1.746 903 1HD2 LEU 117 HD23 LEU 117 26.939 -1.668 -1.668 904 2HD2 LEU 117 HD22 LEU 117 27.962 -0.458 -0.458 905 3HD2 LEU 117 HD21 LEU 117 27.869 -2.069 -2.069 906 H GLN 118 HN GLN 118 30.069 -4.799 -4.799 907 HA GLN 118 HA GLN 118 32.112 -5.950 -5.950 908 1HB GLN 118 HB2 GLN 118 29.717 -7.520 -7.520 909 2HB GLN 118 HB1 GLN 118 30.908 -8.337 -8.337 910 1HG GLN 118 HG2 GLN 118 31.568 -7.355 -7.355 911 2HG GLN 118 HG1 GLN 118 30.795 -8.909 -8.909 912 1HE2 GLN 118 HE21 GLN 118 33.033 -7.708 -7.708 913 2HE2 GLN 118 HE22 GLN 118 34.310 -8.768 -8.768 Start of MODEL 38 1 1H MET 1 HT3 MET 1 -12.579 -9.877 -9.877 2 2H MET 1 HT2 MET 1 -14.053 -9.864 -9.864 3 3H MET 1 HT1 MET 1 -13.476 -8.445 -8.445 4 HA MET 1 HA MET 1 -11.819 -8.113 -8.113 5 1HB MET 1 HB2 MET 1 -14.102 -9.426 -9.426 6 2HB MET 1 HB1 MET 1 -12.918 -8.318 -8.318 7 1HG MET 1 HG2 MET 1 -14.758 -6.933 -6.933 8 2HG MET 1 HG1 MET 1 -13.668 -6.671 -6.671 9 1HE MET 1 HE2 MET 1 -16.702 -6.014 -6.014 10 2HE MET 1 HE1 MET 1 -15.816 -5.659 -5.659 11 3HE MET 1 HE3 MET 1 -17.361 -6.514 -6.514 12 H CYS 2 HN CYS 2 -9.931 -9.298 -9.298 13 HA CYS 2 HA CYS 2 -9.874 -11.684 -11.684 14 1HB CYS 2 HB2 CYS 2 -8.833 -11.880 -11.880 15 2HB CYS 2 HB1 CYS 2 -8.930 -13.169 -13.169 16 HG CYS 2 HG CYS 2 -11.030 -13.459 -13.459 17 H ASP 3 HN ASP 3 -8.110 -9.472 -9.472 18 HA ASP 3 HA ASP 3 -5.477 -9.996 -9.996 19 1HB ASP 3 HB2 ASP 3 -6.806 -7.326 -7.326 20 2HB ASP 3 HB1 ASP 3 -5.057 -7.547 -7.547 21 H LYS 4 HN LYS 4 -7.968 -8.163 -8.163 22 HA LYS 4 HA LYS 4 -6.488 -6.925 -6.925 23 1HB LYS 4 HB2 LYS 4 -9.165 -8.306 -8.306 24 2HB LYS 4 HB1 LYS 4 -8.518 -6.997 -6.997 25 1HG LYS 4 HG2 LYS 4 -8.413 -5.605 -5.605 26 2HG LYS 4 HG1 LYS 4 -9.345 -6.885 -6.885 27 1HD LYS 4 HD2 LYS 4 -11.211 -6.531 -6.531 28 2HD LYS 4 HD1 LYS 4 -10.277 -5.556 -5.556 29 1HE LYS 4 HE2 LYS 4 -10.911 -4.781 -4.781 30 2HE LYS 4 HE1 LYS 4 -11.722 -4.142 -4.142 31 1HZ LYS 4 HZ1 LYS 4 -9.052 -3.867 -3.867 32 2HZ LYS 4 HZ3 LYS 4 -9.211 -3.429 -3.429 33 3HZ LYS 4 HZ2 LYS 4 -10.129 -2.629 -2.629 34 H GLU 5 HN GLU 5 -8.190 -9.991 -9.991 35 HA GLU 5 HA GLU 5 -6.761 -10.664 -10.664 36 1HB GLU 5 HB2 GLU 5 -8.835 -11.794 -11.794 37 2HB GLU 5 HB1 GLU 5 -7.782 -12.671 -12.671 38 1HG GLU 5 HG2 GLU 5 -6.562 -13.658 -13.658 39 2HG GLU 5 HG1 GLU 5 -7.517 -12.715 -12.715 40 H PHE 6 HN PHE 6 -5.725 -10.895 -10.895 41 HA PHE 6 HA PHE 6 -3.659 -12.874 -12.874 42 1HB PHE 6 HB2 PHE 6 -4.482 -12.479 -12.479 43 2HB PHE 6 HB1 PHE 6 -3.944 -10.805 -10.805 44 HD1 PHE 6 HD2 PHE 6 -2.485 -14.202 -14.202 45 HD2 PHE 6 HD1 PHE 6 -1.938 -10.353 -10.353 46 HE1 PHE 6 HE2 PHE 6 -0.248 -14.906 -14.906 47 HE2 PHE 6 HE1 PHE 6 0.296 -11.056 -11.056 48 HZ PHE 6 HZ PHE 6 1.145 -13.338 -13.338 49 H MET 7 HN MET 7 -3.249 -9.334 -9.334 50 HA MET 7 HA MET 7 -0.515 -9.466 -9.466 51 1HB MET 7 HB2 MET 7 -0.291 -7.251 -7.251 52 2HB MET 7 HB1 MET 7 -1.755 -7.634 -7.634 53 1HG MET 7 HG2 MET 7 -1.769 -6.396 -6.396 54 2HG MET 7 HG1 MET 7 -1.824 -5.464 -5.464 55 1HE MET 7 HE3 MET 7 -3.408 -5.428 -5.428 56 2HE MET 7 HE2 MET 7 -3.863 -7.093 -7.093 57 3HE MET 7 HE1 MET 7 -5.105 -5.924 -5.924 58 H TRP 8 HN TRP 8 -3.496 -8.735 -8.735 59 HA TRP 8 HA TRP 8 -2.567 -7.617 -7.617 60 1HB TRP 8 HB2 TRP 8 -4.960 -8.131 -8.131 61 2HB TRP 8 HB1 TRP 8 -4.644 -9.813 -9.813 62 HD1 TRP 8 HD1 TRP 8 -4.857 -10.425 -10.425 63 HE1 TRP 8 HE1 TRP 8 -5.069 -9.101 -9.101 64 HE3 TRP 8 HE3 TRP 8 -4.170 -5.679 -5.679 65 HZ2 TRP 8 HZ2 TRP 8 -4.992 -6.394 -6.394 66 HZ3 TRP 8 HZ3 TRP 8 -4.238 -3.749 -3.749 67 HH2 TRP 8 HH2 TRP 8 -4.651 -4.100 -4.100 68 H ALA 9 HN ALA 9 -1.776 -10.692 -10.692 69 HA ALA 9 HA ALA 9 -1.125 -11.846 -11.846 70 1HB ALA 9 HB2 ALA 9 -0.708 -12.872 -12.872 71 2HB ALA 9 HB1 ALA 9 -0.421 -13.787 -13.787 72 3HB ALA 9 HB3 ALA 9 -2.056 -13.275 -13.275 73 H LEU 10 HN LEU 10 0.710 -10.851 -10.851 74 HA LEU 10 HA LEU 10 3.287 -11.472 -11.472 75 1HB LEU 10 HB2 LEU 10 2.447 -9.103 -9.103 76 2HB LEU 10 HB1 LEU 10 4.116 -9.574 -9.574 77 HG LEU 10 HG LEU 10 3.152 -11.958 -11.958 78 1HD1 LEU 10 HD13 LEU 10 1.585 -9.832 -9.832 79 2HD1 LEU 10 HD12 LEU 10 1.714 -11.516 -11.516 80 3HD1 LEU 10 HD11 LEU 10 0.899 -11.104 -11.104 81 1HD2 LEU 10 HD23 LEU 10 5.087 -10.695 -10.695 82 2HD2 LEU 10 HD22 LEU 10 4.088 -11.444 -11.444 83 3HD2 LEU 10 HD21 LEU 10 3.954 -9.717 -9.717 84 H LYS 11 HN LYS 11 1.028 -9.324 -9.324 85 HA LYS 11 HA LYS 11 2.884 -7.383 -7.383 86 1HB LYS 11 HB2 LYS 11 0.799 -6.589 -6.589 87 2HB LYS 11 HB1 LYS 11 -0.079 -7.860 -7.860 88 1HG LYS 11 HG2 LYS 11 -0.228 -5.570 -5.570 89 2HG LYS 11 HG1 LYS 11 0.340 -6.840 -6.840 90 1HD LYS 11 HD2 LYS 11 2.657 -6.096 -6.096 91 2HD LYS 11 HD1 LYS 11 2.156 -4.900 -4.900 92 1HE LYS 11 HE2 LYS 11 0.990 -3.610 -3.610 93 2HE LYS 11 HE1 LYS 11 0.998 -4.942 -4.942 94 1HZ LYS 11 HZ3 LYS 11 3.635 -4.288 -4.288 95 2HZ LYS 11 HZ2 LYS 11 2.843 -2.909 -2.909 96 3HZ LYS 11 HZ1 LYS 11 2.952 -4.313 -4.313 97 H ASN 12 HN ASN 12 0.223 -9.095 -9.095 98 HA ASN 12 HA ASN 12 1.607 -8.920 -8.920 99 1HB ASN 12 HB2 ASN 12 -1.070 -9.736 -9.736 100 2HB ASN 12 HB1 ASN 12 -0.573 -10.464 -10.464 101 1HD2 ASN 12 HD21 ASN 12 -0.313 -9.031 -9.031 102 2HD2 ASN 12 HD22 ASN 12 -0.834 -7.414 -7.414 103 H GLY 13 HN GLY 13 2.439 -10.871 -10.871 104 1HA GLY 13 HA2 GLY 13 3.737 -12.802 -12.802 105 2HA GLY 13 HA1 GLY 13 3.442 -12.839 -12.839 106 H ASP 14 HN ASP 14 0.596 -12.684 -12.684 107 HA ASP 14 HA ASP 14 -0.245 -15.261 -15.261 108 1HB ASP 14 HB2 ASP 14 -1.573 -14.006 -14.006 109 2HB ASP 14 HB1 ASP 14 -2.271 -14.847 -14.847 110 H LEU 15 HN LEU 15 2.022 -15.698 -15.698 111 HA LEU 15 HA LEU 15 2.640 -16.196 -16.196 112 1HB LEU 15 HB2 LEU 15 4.156 -16.335 -16.335 113 2HB LEU 15 HB1 LEU 15 3.325 -17.764 -17.764 114 HG LEU 15 HG LEU 15 5.514 -18.125 -18.125 115 1HD1 LEU 15 HD12 LEU 15 3.225 -19.708 -19.708 116 2HD1 LEU 15 HD11 LEU 15 3.645 -19.684 -19.684 117 3HD1 LEU 15 HD13 LEU 15 4.822 -20.220 -20.220 118 1HD2 LEU 15 HD23 LEU 15 4.804 -16.381 -16.381 119 2HD2 LEU 15 HD22 LEU 15 5.632 -17.834 -17.834 120 3HD2 LEU 15 HD21 LEU 15 3.885 -17.704 -17.704 121 H ASP 16 HN ASP 16 0.504 -17.947 -17.947 122 HA ASP 16 HA ASP 16 0.384 -20.370 -20.370 123 1HB ASP 16 HB2 ASP 16 -1.517 -18.999 -18.999 124 2HB ASP 16 HB1 ASP 16 -1.800 -20.606 -20.606 125 H GLU 17 HN GLU 17 -1.251 -17.241 -17.241 126 HA GLU 17 HA GLU 17 -3.216 -18.181 -18.181 127 1HB GLU 17 HB2 GLU 17 -2.340 -15.480 -15.480 128 2HB GLU 17 HB1 GLU 17 -3.480 -15.616 -15.616 129 1HG GLU 17 HG2 GLU 17 -4.989 -16.975 -16.975 130 2HG GLU 17 HG1 GLU 17 -3.832 -16.874 -16.874 131 H VAL 18 HN VAL 18 -0.184 -16.317 -16.317 132 HA VAL 18 HA VAL 18 -0.426 -16.030 -16.030 133 HB VAL 18 HB VAL 18 2.271 -15.921 -15.921 134 1HG1 VAL 18 HG11 VAL 18 0.126 -13.935 -13.935 135 2HG1 VAL 18 HG13 VAL 18 1.504 -13.501 -13.501 136 3HG1 VAL 18 HG12 VAL 18 1.731 -13.788 -13.788 137 1HG2 VAL 18 HG21 VAL 18 1.695 -16.754 -16.754 138 2HG2 VAL 18 HG23 VAL 18 2.909 -15.503 -15.503 139 3HG2 VAL 18 HG22 VAL 18 1.284 -15.067 -15.067 140 H LYS 19 HN LYS 19 0.854 -18.519 -18.519 141 HA LYS 19 HA LYS 19 2.285 -20.004 -20.004 142 1HB LYS 19 HB2 LYS 19 2.309 -20.320 -20.320 143 2HB LYS 19 HB1 LYS 19 0.727 -21.063 -21.063 144 1HG LYS 19 HG2 LYS 19 1.554 -22.987 -22.987 145 2HG LYS 19 HG1 LYS 19 2.926 -22.137 -22.137 146 1HD LYS 19 HD2 LYS 19 2.725 -22.415 -22.415 147 2HD LYS 19 HD1 LYS 19 3.341 -23.756 -23.756 148 1HE LYS 19 HE2 LYS 19 4.535 -21.135 -21.135 149 2HE LYS 19 HE1 LYS 19 4.889 -21.685 -21.685 150 1HZ LYS 19 HZ3 LYS 19 5.138 -23.895 -23.895 151 2HZ LYS 19 HZ2 LYS 19 5.887 -22.646 -22.646 152 3HZ LYS 19 HZ1 LYS 19 6.394 -23.008 -23.008 153 H ASP 20 HN ASP 20 -1.126 -19.793 -19.793 154 HA ASP 20 HA ASP 20 -1.963 -22.089 -22.089 155 1HB ASP 20 HB2 ASP 20 -3.362 -20.957 -20.957 156 2HB ASP 20 HB1 ASP 20 -3.495 -19.552 -19.552 157 H TYR 21 HN TYR 21 -2.167 -18.631 -18.631 158 HA TYR 21 HA TYR 21 -3.062 -19.161 -19.161 159 1HB TYR 21 HB2 TYR 21 -1.488 -16.862 -16.862 160 2HB TYR 21 HB1 TYR 21 -2.031 -16.864 -16.864 161 HD1 TYR 21 HD1 TYR 21 -3.085 -16.738 -16.738 162 HD2 TYR 21 HD2 TYR 21 -4.408 -16.755 -16.755 163 HE1 TYR 21 HE1 TYR 21 -5.328 -15.990 -15.990 164 HE2 TYR 21 HE2 TYR 21 -6.660 -16.006 -16.006 165 HH TYR 21 HH TYR 21 -7.991 -15.590 -15.590 166 H VAL 22 HN VAL 22 0.247 -18.830 -18.830 167 HA VAL 22 HA VAL 22 1.504 -19.198 -19.198 168 HB VAL 22 HB VAL 22 2.520 -19.353 -19.353 169 1HG1 VAL 22 HG12 VAL 22 3.969 -19.879 -19.879 170 2HG1 VAL 22 HG11 VAL 22 4.822 -19.236 -19.236 171 3HG1 VAL 22 HG13 VAL 22 4.020 -20.805 -20.805 172 1HG2 VAL 22 HG22 VAL 22 1.873 -17.143 -17.143 173 2HG2 VAL 22 HG21 VAL 22 3.593 -17.252 -17.252 174 3HG2 VAL 22 HG23 VAL 22 3.034 -17.392 -17.392 175 H ALA 23 HN ALA 23 0.228 -21.374 -21.374 176 HA ALA 23 HA ALA 23 1.767 -23.692 -23.692 177 1HB ALA 23 HB2 ALA 23 -1.116 -23.416 -23.416 178 2HB ALA 23 HB1 ALA 23 -0.234 -24.939 -24.939 179 3HB ALA 23 HB3 ALA 23 0.273 -23.648 -23.648 180 H LYS 24 HN LYS 24 -0.628 -21.997 -21.997 181 HA LYS 24 HA LYS 24 -1.797 -23.988 -23.988 182 1HB LYS 24 HB2 LYS 24 -1.172 -21.086 -21.086 183 2HB LYS 24 HB1 LYS 24 -1.744 -22.032 -22.032 184 1HG LYS 24 HG2 LYS 24 -3.552 -20.847 -20.847 185 2HG LYS 24 HG1 LYS 24 -3.799 -22.579 -22.579 186 1HD LYS 24 HD2 LYS 24 -3.195 -23.068 -23.068 187 2HD LYS 24 HD1 LYS 24 -2.385 -21.520 -21.520 188 1HE LYS 24 HE2 LYS 24 -4.481 -21.442 -21.442 189 2HE LYS 24 HE1 LYS 24 -4.631 -20.399 -20.399 190 1HZ LYS 24 HZ2 LYS 24 -5.340 -23.091 -23.091 191 2HZ LYS 24 HZ1 LYS 24 -6.285 -22.488 -22.488 192 3HZ LYS 24 HZ3 LYS 24 -6.246 -21.671 -21.671 193 H GLY 25 HN GLY 25 0.910 -21.913 -21.913 194 1HA GLY 25 HA2 GLY 25 2.529 -24.119 -24.119 195 2HA GLY 25 HA1 GLY 25 1.617 -23.536 -23.536 196 H GLU 26 HN GLU 26 4.036 -22.738 -22.738 197 HA GLU 26 HA GLU 26 5.514 -20.888 -20.888 198 1HB GLU 26 HB2 GLU 26 6.980 -20.836 -20.836 199 2HB GLU 26 HB1 GLU 26 6.746 -22.439 -22.439 200 1HG GLU 26 HG2 GLU 26 5.075 -22.959 -22.959 201 2HG GLU 26 HG1 GLU 26 5.203 -21.321 -21.321 202 H ASP 27 HN ASP 27 3.326 -19.518 -19.518 203 HA ASP 27 HA ASP 27 3.464 -17.668 -17.668 204 1HB ASP 27 HB2 ASP 27 1.338 -18.194 -18.194 205 2HB ASP 27 HB1 ASP 27 1.258 -16.832 -16.832 206 H VAL 28 HN VAL 28 5.553 -17.517 -17.517 207 HA VAL 28 HA VAL 28 4.898 -15.306 -15.306 208 HB VAL 28 HB VAL 28 7.207 -15.748 -15.748 209 1HG1 VAL 28 HG11 VAL 28 5.216 -18.027 -18.027 210 2HG1 VAL 28 HG13 VAL 28 6.545 -18.010 -18.010 211 3HG1 VAL 28 HG12 VAL 28 5.267 -16.802 -16.802 212 1HG2 VAL 28 HG21 VAL 28 7.840 -16.787 -16.787 213 2HG2 VAL 28 HG23 VAL 28 8.543 -17.437 -17.437 214 3HG2 VAL 28 HG22 VAL 28 7.193 -18.267 -18.267 215 H ASN 29 HN ASN 29 4.640 -14.165 -14.165 216 HA ASN 29 HA ASN 29 6.682 -12.190 -12.190 217 1HB ASN 29 HB2 ASN 29 7.142 -12.833 -12.833 218 2HB ASN 29 HB1 ASN 29 8.066 -13.625 -13.625 219 1HD2 ASN 29 HD21 ASN 29 7.098 -15.773 -15.773 220 2HD2 ASN 29 HD22 ASN 29 6.287 -16.731 -16.731 221 H ARG 30 HN ARG 30 3.951 -12.051 -12.051 222 HA ARG 30 HA ARG 30 2.812 -11.173 -11.173 223 1HB ARG 30 HB2 ARG 30 1.465 -11.854 -11.854 224 2HB ARG 30 HB1 ARG 30 0.619 -11.346 -11.346 225 1HG ARG 30 HG2 ARG 30 1.917 -13.355 -13.355 226 2HG ARG 30 HG1 ARG 30 2.077 -13.935 -13.935 227 1HD ARG 30 HD2 ARG 30 -0.415 -13.469 -13.469 228 2HD ARG 30 HD1 ARG 30 0.082 -14.938 -14.938 229 HE ARG 30 HE ARG 30 -1.545 -12.864 -12.864 230 1HH1 ARG 30 HH21 ARG 30 1.210 -14.772 -14.772 231 2HH1 ARG 30 HH22 ARG 30 1.053 -14.466 -14.466 232 1HH2 ARG 30 HH11 ARG 30 -1.797 -12.492 -12.492 233 2HH2 ARG 30 HH12 ARG 30 -0.660 -13.157 -13.157 234 H THR 31 HN THR 31 2.349 -8.993 -8.993 235 HA THR 31 HA THR 31 3.399 -7.074 -7.074 236 HB THR 31 HB THR 31 1.058 -6.324 -6.324 237 HG1 THR 31 HG1 THR 31 2.602 -7.992 -7.992 238 1HG2 THR 31 HG22 THR 31 2.507 -4.684 -4.684 239 2HG2 THR 31 HG21 THR 31 3.855 -5.186 -5.186 240 3HG2 THR 31 HG23 THR 31 2.447 -4.407 -4.407 241 H LEU 32 HN LEU 32 2.733 -7.106 -7.106 242 HA LEU 32 HA LEU 32 0.345 -7.964 -7.964 243 1HB LEU 32 HB2 LEU 32 2.612 -6.456 -6.456 244 2HB LEU 32 HB1 LEU 32 1.177 -5.678 -5.678 245 HG LEU 32 HG LEU 32 1.635 -8.665 -8.665 246 1HD1 LEU 32 HD12 LEU 32 3.393 -7.114 -7.114 247 2HD1 LEU 32 HD11 LEU 32 2.057 -6.711 -6.711 248 3HD1 LEU 32 HD13 LEU 32 2.606 -8.376 -8.376 249 1HD2 LEU 32 HD22 LEU 32 -0.679 -7.815 -7.815 250 2HD2 LEU 32 HD21 LEU 32 -0.066 -8.445 -8.445 251 3HD2 LEU 32 HD23 LEU 32 -0.136 -6.703 -6.703 252 H GLU 33 HN GLU 33 0.737 -4.491 -4.491 253 HA GLU 33 HA GLU 33 -2.089 -4.128 -4.128 254 1HB GLU 33 HB2 GLU 33 -1.832 -2.090 -2.090 255 2HB GLU 33 HB1 GLU 33 -0.464 -2.963 -2.963 256 1HG GLU 33 HG2 GLU 33 1.001 -1.951 -1.951 257 2HG GLU 33 HG1 GLU 33 -0.380 -1.007 -1.007 258 H GLY 34 HN GLY 34 0.892 -2.800 -2.800 259 1HA GLY 34 HA2 GLY 34 -0.387 -2.989 -2.989 260 2HA GLY 34 HA1 GLY 34 -0.292 -1.331 -1.331 261 H GLY 35 HN GLY 35 2.288 -2.303 -2.303 262 1HA GLY 35 HA2 GLY 35 4.148 -2.832 -2.832 263 2HA GLY 35 HA1 GLY 35 4.241 -1.170 -1.170 264 H ARG 36 HN ARG 36 3.574 -4.167 -4.167 265 HA ARG 36 HA ARG 36 6.159 -3.917 -3.917 266 1HB ARG 36 HB2 ARG 36 3.615 -4.243 -4.243 267 2HB ARG 36 HB1 ARG 36 5.203 -3.691 -3.691 268 1HG ARG 36 HG2 ARG 36 4.926 -1.662 -1.662 269 2HG ARG 36 HG1 ARG 36 3.281 -2.186 -2.186 270 1HD ARG 36 HD2 ARG 36 2.561 -1.795 -1.795 271 2HD ARG 36 HD1 ARG 36 4.192 -1.899 -1.899 272 HE ARG 36 HE ARG 36 4.295 0.312 0.312 273 1HH1 ARG 36 HH21 ARG 36 2.279 -0.746 -0.746 274 2HH1 ARG 36 HH22 ARG 36 1.930 0.867 0.867 275 1HH2 ARG 36 HH11 ARG 36 3.828 2.392 2.392 276 2HH2 ARG 36 HH12 ARG 36 2.822 2.657 2.657 277 H LYS 37 HN LYS 37 6.833 -5.867 -5.867 278 HA LYS 37 HA LYS 37 5.390 -8.293 -8.293 279 1HB LYS 37 HB2 LYS 37 7.478 -9.335 -9.335 280 2HB LYS 37 HB1 LYS 37 7.883 -7.671 -7.671 281 1HG LYS 37 HG2 LYS 37 8.242 -9.045 -9.045 282 2HG LYS 37 HG1 LYS 37 9.511 -8.587 -8.587 283 1HD LYS 37 HD2 LYS 37 7.634 -6.614 -6.614 284 2HD LYS 37 HD1 LYS 37 9.277 -6.968 -6.968 285 1HE LYS 37 HE2 LYS 37 8.389 -5.640 -5.640 286 2HE LYS 37 HE1 LYS 37 9.467 -5.012 -5.012 287 1HZ LYS 37 HZ3 LYS 37 11.051 -6.772 -6.772 288 2HZ LYS 37 HZ2 LYS 37 10.033 -7.278 -7.278 289 3HZ LYS 37 HZ1 LYS 37 10.742 -5.734 -5.734 290 HA PRO 38 HA PRO 38 4.642 -9.455 -9.455 291 1HB PRO 38 HB2 PRO 38 5.011 -12.213 -12.213 292 2HB PRO 38 HB1 PRO 38 3.626 -11.392 -11.392 293 1HG PRO 38 HG2 PRO 38 5.853 -12.784 -12.784 294 2HG PRO 38 HG1 PRO 38 4.319 -12.248 -12.248 295 1HD PRO 38 HD2 PRO 38 6.943 -10.956 -10.956 296 2HD PRO 38 HD1 PRO 38 5.430 -10.491 -10.491 297 H LEU 39 HN LEU 39 7.606 -8.789 -8.789 298 HA LEU 39 HA LEU 39 8.745 -10.433 -10.433 299 1HB LEU 39 HB2 LEU 39 9.800 -10.496 -10.496 300 2HB LEU 39 HB1 LEU 39 10.318 -8.861 -8.861 301 HG LEU 39 HG LEU 39 12.024 -9.536 -9.536 302 1HD1 LEU 39 HD11 LEU 39 10.610 -10.342 -10.342 303 2HD1 LEU 39 HD13 LEU 39 10.433 -11.886 -11.886 304 3HD1 LEU 39 HD12 LEU 39 12.015 -11.377 -11.377 305 1HD2 LEU 39 HD22 LEU 39 12.070 -10.977 -10.977 306 2HD2 LEU 39 HD21 LEU 39 13.068 -11.527 -11.527 307 3HD2 LEU 39 HD23 LEU 39 11.514 -12.300 -12.300 308 H HIS 40 HN HIS 40 8.060 -7.290 -7.290 309 HA HIS 40 HA HIS 40 9.697 -5.775 -5.775 310 1HB HIS 40 HB2 HIS 40 8.699 -4.890 -4.890 311 2HB HIS 40 HB1 HIS 40 7.131 -4.898 -4.898 312 HD1 HIS 40 HD1 HIS 40 7.711 -3.778 -3.778 313 HD2 HIS 40 HD2 HIS 40 9.514 -2.256 -2.256 314 HE1 HIS 40 HE1 HIS 40 8.443 -1.419 -1.419 315 H TYR 41 HN TYR 41 6.256 -6.787 -6.787 316 HA TYR 41 HA TYR 41 5.771 -5.495 -5.495 317 1HB TYR 41 HB2 TYR 41 4.269 -7.761 -7.761 318 2HB TYR 41 HB1 TYR 41 3.684 -6.808 -6.808 319 HD1 TYR 41 HD1 TYR 41 4.863 -6.587 -6.587 320 HD2 TYR 41 HD2 TYR 41 2.640 -4.682 -4.682 321 HE1 TYR 41 HE1 TYR 41 4.055 -4.897 -4.897 322 HE2 TYR 41 HE2 TYR 41 1.820 -2.990 -2.990 323 HH TYR 41 HH TYR 41 2.613 -2.022 -2.022 324 H ALA 42 HN ALA 42 6.749 -8.716 -8.716 325 HA ALA 42 HA ALA 42 6.657 -9.918 -9.918 326 1HB ALA 42 HB2 ALA 42 7.141 -10.902 -10.902 327 2HB ALA 42 HB1 ALA 42 8.790 -10.797 -10.797 328 3HB ALA 42 HB3 ALA 42 7.605 -11.771 -11.771 329 H ALA 43 HN ALA 43 9.401 -8.775 -8.775 330 HA ALA 43 HA ALA 43 11.388 -8.640 -8.640 331 1HB ALA 43 HB2 ALA 43 10.747 -6.675 -6.675 332 2HB ALA 43 HB1 ALA 43 12.314 -6.813 -6.813 333 3HB ALA 43 HB3 ALA 43 11.700 -8.151 -8.151 334 H ASP 44 HN ASP 44 9.335 -5.866 -5.866 335 HA ASP 44 HA ASP 44 10.110 -4.137 -4.137 336 1HB ASP 44 HB2 ASP 44 8.852 -3.495 -3.495 337 2HB ASP 44 HB1 ASP 44 7.424 -4.320 -4.320 338 H CYS 45 HN CYS 45 7.497 -6.570 -6.570 339 HA CYS 45 HA CYS 45 7.495 -6.324 -6.324 340 1HB CYS 45 HB2 CYS 45 4.968 -5.785 -5.785 341 2HB CYS 45 HB1 CYS 45 5.081 -5.859 -5.859 342 HG CYS 45 HG CYS 45 6.536 -3.632 -3.632 343 H GLY 46 HN GLY 46 8.290 -8.517 -8.517 344 1HA GLY 46 HA2 GLY 46 5.919 -10.358 -10.358 345 2HA GLY 46 HA1 GLY 46 7.485 -10.645 -10.645 346 H GLN 47 HN GLN 47 7.447 -9.448 -9.448 347 HA GLN 47 HA GLN 47 8.304 -10.454 -10.454 348 1HB GLN 47 HB2 GLN 47 6.821 -12.908 -12.908 349 2HB GLN 47 HB1 GLN 47 7.203 -12.490 -12.490 350 1HG GLN 47 HG2 GLN 47 5.232 -11.108 -11.108 351 2HG GLN 47 HG1 GLN 47 4.898 -11.905 -11.905 352 1HE2 GLN 47 HE21 GLN 47 4.551 -8.968 -8.968 353 2HE2 GLN 47 HE22 GLN 47 5.310 -8.063 -8.063 354 H LEU 48 HN LEU 48 9.479 -10.849 -10.849 355 HA LEU 48 HA LEU 48 11.402 -11.677 -11.677 356 1HB LEU 48 HB2 LEU 48 11.948 -12.314 -12.314 357 2HB LEU 48 HB1 LEU 48 13.114 -12.573 -12.573 358 HG LEU 48 HG LEU 48 13.781 -10.439 -10.439 359 1HD1 LEU 48 HD13 LEU 48 10.983 -9.608 -9.608 360 2HD1 LEU 48 HD12 LEU 48 12.340 -8.520 -8.520 361 3HD1 LEU 48 HD11 LEU 48 12.392 -9.754 -9.754 362 1HD2 LEU 48 HD21 LEU 48 11.392 -10.060 -10.060 363 2HD2 LEU 48 HD23 LEU 48 13.029 -10.509 -10.509 364 3HD2 LEU 48 HD22 LEU 48 12.715 -8.906 -8.906 365 H GLU 49 HN GLU 49 9.101 -13.639 -13.639 366 HA GLU 49 HA GLU 49 10.559 -16.162 -16.162 367 1HB GLU 49 HB2 GLU 49 8.038 -17.008 -17.008 368 2HB GLU 49 HB1 GLU 49 9.250 -16.773 -16.773 369 1HG GLU 49 HG2 GLU 49 8.433 -14.569 -14.569 370 2HG GLU 49 HG1 GLU 49 7.308 -14.608 -14.608 371 H ILE 50 HN ILE 50 7.852 -14.133 -14.133 372 HA ILE 50 HA ILE 50 6.956 -15.622 -15.622 373 HB ILE 50 HB ILE 50 6.885 -12.635 -12.635 374 1HG1 ILE 50 HG12 ILE 50 5.662 -14.848 -14.848 375 2HG1 ILE 50 HG11 ILE 50 5.705 -13.140 -13.140 376 1HG2 ILE 50 HG23 ILE 50 6.299 -13.690 -13.690 377 2HG2 ILE 50 HG22 ILE 50 4.845 -14.277 -14.277 378 3HG2 ILE 50 HG21 ILE 50 5.170 -12.553 -12.553 379 1HD1 ILE 50 HD11 ILE 50 3.700 -14.181 -14.181 380 2HD1 ILE 50 HD13 ILE 50 3.384 -14.300 -14.300 381 3HD1 ILE 50 HD12 ILE 50 3.631 -12.726 -12.726 382 H LEU 51 HN LEU 51 9.449 -13.052 -13.052 383 HA LEU 51 HA LEU 51 9.718 -12.935 -12.935 384 1HB LEU 51 HB2 LEU 51 12.330 -12.524 -12.524 385 2HB LEU 51 HB1 LEU 51 11.106 -11.284 -11.284 386 HG LEU 51 HG LEU 51 12.298 -11.117 -11.117 387 1HD1 LEU 51 HD12 LEU 51 9.506 -11.253 -11.253 388 2HD1 LEU 51 HD11 LEU 51 9.877 -12.110 -12.110 389 3HD1 LEU 51 HD13 LEU 51 10.432 -10.454 -10.454 390 1HD2 LEU 51 HD21 LEU 51 12.742 -13.699 -13.699 391 2HD2 LEU 51 HD23 LEU 51 12.632 -12.857 -12.857 392 3HD2 LEU 51 HD22 LEU 51 11.253 -13.780 -13.780 393 H GLU 52 HN GLU 52 11.614 -15.002 -15.002 394 HA GLU 52 HA GLU 52 13.072 -16.364 -16.364 395 1HB GLU 52 HB2 GLU 52 11.857 -17.861 -17.861 396 2HB GLU 52 HB1 GLU 52 13.437 -18.083 -18.083 397 1HG GLU 52 HG2 GLU 52 14.101 -15.828 -15.828 398 2HG GLU 52 HG1 GLU 52 12.553 -15.793 -15.793 399 H PHE 53 HN PHE 53 9.667 -16.828 -16.828 400 HA PHE 53 HA PHE 53 9.247 -19.304 -19.304 401 1HB PHE 53 HB2 PHE 53 7.599 -18.522 -18.522 402 2HB PHE 53 HB1 PHE 53 7.318 -17.065 -17.065 403 HD1 PHE 53 HD1 PHE 53 7.421 -20.775 -20.775 404 HD2 PHE 53 HD2 PHE 53 5.440 -17.046 -17.046 405 HE1 PHE 53 HE1 PHE 53 5.764 -21.951 -21.951 406 HE2 PHE 53 HE2 PHE 53 3.787 -18.217 -18.217 407 HZ PHE 53 HZ PHE 53 3.950 -20.666 -20.666 408 H LEU 54 HN LEU 54 7.674 -16.370 -16.370 409 HA LEU 54 HA LEU 54 7.295 -17.557 -17.557 410 1HB LEU 54 HB2 LEU 54 6.646 -15.442 -15.442 411 2HB LEU 54 HB1 LEU 54 6.118 -15.504 -15.504 412 HG LEU 54 HG LEU 54 7.000 -13.342 -13.342 413 1HD1 LEU 54 HD11 LEU 54 7.726 -14.625 -14.625 414 2HD1 LEU 54 HD13 LEU 54 9.289 -14.810 -14.810 415 3HD1 LEU 54 HD12 LEU 54 8.665 -13.208 -13.208 416 1HD2 LEU 54 HD22 LEU 54 8.501 -14.281 -14.281 417 2HD2 LEU 54 HD21 LEU 54 8.815 -12.738 -12.738 418 3HD2 LEU 54 HD23 LEU 54 9.751 -14.162 -14.162 419 H LEU 55 HN LEU 55 10.170 -16.482 -16.482 420 HA LEU 55 HA LEU 55 11.563 -16.092 -16.092 421 1HB LEU 55 HB2 LEU 55 12.003 -14.991 -14.991 422 2HB LEU 55 HB1 LEU 55 13.026 -16.414 -16.414 423 HG LEU 55 HG LEU 55 13.193 -14.436 -14.436 424 1HD1 LEU 55 HD12 LEU 55 14.823 -14.807 -14.807 425 2HD1 LEU 55 HD11 LEU 55 15.460 -13.968 -13.968 426 3HD1 LEU 55 HD13 LEU 55 14.045 -13.334 -13.334 427 1HD2 LEU 55 HD23 LEU 55 14.676 -16.961 -16.961 428 2HD2 LEU 55 HD22 LEU 55 13.978 -16.499 -16.499 429 3HD2 LEU 55 HD21 LEU 55 15.446 -15.715 -15.715 430 H LEU 56 HN LEU 56 11.008 -18.508 -18.508 431 HA LEU 56 HA LEU 56 12.977 -20.443 -20.443 432 1HB LEU 56 HB2 LEU 56 10.977 -20.298 -20.298 433 2HB LEU 56 HB1 LEU 56 10.154 -21.273 -21.273 434 HG LEU 56 HG LEU 56 11.169 -22.771 -22.771 435 1HD1 LEU 56 HD11 LEU 56 11.367 -23.240 -23.240 436 2HD1 LEU 56 HD13 LEU 56 13.064 -22.792 -22.792 437 3HD1 LEU 56 HD12 LEU 56 12.425 -24.163 -24.163 438 1HD2 LEU 56 HD23 LEU 56 12.982 -20.899 -20.899 439 2HD2 LEU 56 HD22 LEU 56 13.308 -22.603 -22.603 440 3HD2 LEU 56 HD21 LEU 56 13.954 -21.825 -21.825 441 H LYS 57 HN LYS 57 9.686 -20.097 -20.097 442 HA LYS 57 HA LYS 57 9.827 -22.179 -22.179 443 1HB LYS 57 HB2 LYS 57 8.068 -19.741 -19.741 444 2HB LYS 57 HB1 LYS 57 7.855 -20.826 -20.826 445 1HG LYS 57 HG2 LYS 57 7.991 -21.991 -21.991 446 2HG LYS 57 HG1 LYS 57 6.491 -21.244 -21.244 447 1HD LYS 57 HD2 LYS 57 6.229 -22.779 -22.779 448 2HD LYS 57 HD1 LYS 57 7.909 -23.297 -23.297 449 1HE LYS 57 HE2 LYS 57 6.242 -24.940 -24.940 450 2HE LYS 57 HE1 LYS 57 7.551 -24.461 -24.461 451 1HZ LYS 57 HZ2 LYS 57 5.057 -22.917 -22.917 452 2HZ LYS 57 HZ1 LYS 57 5.119 -24.377 -24.377 453 3HZ LYS 57 HZ3 LYS 57 6.182 -23.114 -23.114 454 H GLY 58 HN GLY 58 8.964 -19.177 -19.177 455 1HA GLY 58 HA2 GLY 58 11.022 -19.459 -19.459 456 2HA GLY 58 HA1 GLY 58 9.848 -18.141 -18.141 457 H ALA 59 HN ALA 59 11.093 -16.274 -16.274 458 HA ALA 59 HA ALA 59 12.431 -15.617 -15.617 459 1HB ALA 59 HB2 ALA 59 14.276 -16.510 -16.510 460 2HB ALA 59 HB1 ALA 59 14.783 -15.511 -15.511 461 3HB ALA 59 HB3 ALA 59 14.181 -17.140 -17.140 462 H ASP 60 HN ASP 60 11.126 -13.853 -13.853 463 HA ASP 60 HA ASP 60 11.662 -12.141 -12.141 464 1HB ASP 60 HB2 ASP 60 9.442 -12.441 -12.441 465 2HB ASP 60 HB1 ASP 60 10.174 -11.300 -11.300 466 H ILE 61 HN ILE 61 13.487 -12.908 -12.908 467 HA ILE 61 HA ILE 61 14.324 -10.645 -10.645 468 HB ILE 61 HB ILE 61 14.888 -13.040 -13.040 469 1HG1 ILE 61 HG12 ILE 61 17.155 -11.039 -11.039 470 2HG1 ILE 61 HG11 ILE 61 16.211 -11.507 -11.507 471 1HG2 ILE 61 HG23 ILE 61 15.395 -13.301 -13.301 472 2HG2 ILE 61 HG22 ILE 61 16.984 -12.649 -12.649 473 3HG2 ILE 61 HG21 ILE 61 16.451 -14.155 -14.155 474 1HD1 ILE 61 HD12 ILE 61 17.174 -13.956 -13.956 475 2HD1 ILE 61 HD11 ILE 61 18.488 -12.904 -12.904 476 3HD1 ILE 61 HD13 ILE 61 17.992 -12.918 -12.918 477 H ASN 62 HN ASN 62 14.878 -11.468 -11.468 478 HA ASN 62 HA ASN 62 16.777 -9.185 -9.185 479 1HB ASN 62 HB2 ASN 62 17.968 -10.549 -10.549 480 2HB ASN 62 HB1 ASN 62 18.011 -11.314 -11.314 481 1HD2 ASN 62 HD21 ASN 62 15.278 -12.375 -12.375 482 2HD2 ASN 62 HD22 ASN 62 15.206 -13.574 -13.574 483 H ALA 63 HN ALA 63 14.358 -11.244 -11.244 484 HA ALA 63 HA ALA 63 13.805 -10.629 -10.629 485 1HB ALA 63 HB3 ALA 63 11.884 -10.373 -10.373 486 2HB ALA 63 HB2 ALA 63 11.335 -10.030 -10.030 487 3HB ALA 63 HB1 ALA 63 11.983 -11.620 -11.620 488 HA PRO 64 HA PRO 64 11.973 -5.981 -5.981 489 1HB PRO 64 HB2 PRO 64 14.783 -5.670 -5.670 490 2HB PRO 64 HB1 PRO 64 13.319 -4.774 -4.774 491 1HG PRO 64 HG2 PRO 64 14.308 -7.052 -7.052 492 2HG PRO 64 HG1 PRO 64 12.670 -6.390 -6.390 493 1HD PRO 64 HD2 PRO 64 13.301 -8.919 -8.919 494 2HD PRO 64 HD1 PRO 64 11.752 -8.095 -8.095 495 H ASP 65 HN ASP 65 11.903 -4.614 -4.614 496 HA ASP 65 HA ASP 65 14.204 -4.321 -4.321 497 1HB ASP 65 HB2 ASP 65 11.379 -5.124 -5.124 498 2HB ASP 65 HB1 ASP 65 12.413 -4.290 -4.290 499 H LYS 66 HN LYS 66 10.872 -3.261 -3.261 500 HA LYS 66 HA LYS 66 11.486 -0.519 -0.519 501 1HB LYS 66 HB2 LYS 66 9.310 -1.860 -1.860 502 2HB LYS 66 HB1 LYS 66 8.958 -1.486 -1.486 503 1HG LYS 66 HG2 LYS 66 7.995 0.320 0.320 504 2HG LYS 66 HG1 LYS 66 9.591 0.969 0.969 505 1HD LYS 66 HD2 LYS 66 10.232 0.066 0.066 506 2HD LYS 66 HD1 LYS 66 8.501 -0.094 -0.094 507 1HE LYS 66 HE2 LYS 66 8.335 2.363 2.363 508 2HE LYS 66 HE1 LYS 66 10.079 2.428 2.428 509 1HZ LYS 66 HZ1 LYS 66 9.702 1.562 1.562 510 2HZ LYS 66 HZ3 LYS 66 8.032 1.752 1.752 511 3HZ LYS 66 HZ2 LYS 66 9.053 3.111 3.111 512 H HIS 67 HN HIS 67 11.396 -2.398 -2.398 513 HA HIS 67 HA HIS 67 10.947 -0.168 -0.168 514 1HB HIS 67 HB2 HIS 67 12.084 -2.855 -2.855 515 2HB HIS 67 HB1 HIS 67 11.023 -1.806 -1.806 516 HD1 HIS 67 HD1 HIS 67 11.027 -4.142 -4.142 517 HD2 HIS 67 HD2 HIS 67 8.274 -2.169 -2.169 518 HE1 HIS 67 HE1 HIS 67 8.755 -5.055 -5.055 519 H HIS 68 HN HIS 68 13.497 -1.177 -1.177 520 HA HIS 68 HA HIS 68 15.828 -0.864 -0.864 521 1HB HIS 68 HB2 HIS 68 14.890 1.657 1.657 522 2HB HIS 68 HB1 HIS 68 16.405 1.445 1.445 523 HD1 HIS 68 HD1 HIS 68 14.936 -0.226 -0.226 524 HD2 HIS 68 HD2 HIS 68 13.928 3.592 3.592 525 HE1 HIS 68 HE1 HIS 68 13.622 0.893 0.893 526 H ILE 69 HN ILE 69 14.485 -2.173 -2.173 527 HA ILE 69 HA ILE 69 16.845 -2.135 -2.135 528 HB ILE 69 HB ILE 69 14.803 -0.289 -0.289 529 1HG1 ILE 69 HG12 ILE 69 17.199 -0.083 -0.083 530 2HG1 ILE 69 HG11 ILE 69 16.241 0.142 0.142 531 1HG2 ILE 69 HG23 ILE 69 13.514 -2.176 -2.176 532 2HG2 ILE 69 HG22 ILE 69 14.920 -2.477 -2.477 533 3HG2 ILE 69 HG21 ILE 69 14.062 -0.951 -0.951 534 1HD1 ILE 69 HD12 ILE 69 16.652 -2.483 -2.483 535 2HD1 ILE 69 HD11 ILE 69 18.085 -2.085 -2.085 536 3HD1 ILE 69 HD13 ILE 69 17.788 -1.300 -1.300 537 H THR 70 HN THR 70 16.842 -3.619 -3.619 538 HA THR 70 HA THR 70 14.961 -5.851 -5.851 539 HB THR 70 HB THR 70 17.046 -6.731 -6.731 540 HG1 THR 70 HG1 THR 70 16.543 -6.947 -6.947 541 1HG2 THR 70 HG21 THR 70 18.098 -4.745 -4.745 542 2HG2 THR 70 HG23 THR 70 19.134 -5.940 -5.940 543 3HG2 THR 70 HG22 THR 70 18.324 -4.719 -4.719 544 HA PRO 71 HA PRO 71 13.586 -5.075 -5.075 545 1HB PRO 71 HB2 PRO 71 13.414 -7.933 -7.933 546 2HB PRO 71 HB1 PRO 71 12.108 -6.768 -6.768 547 1HG PRO 71 HG2 PRO 71 12.657 -8.720 -8.720 548 2HG PRO 71 HG1 PRO 71 12.110 -7.106 -7.106 549 1HD PRO 71 HD2 PRO 71 14.896 -8.203 -8.203 550 2HD PRO 71 HD1 PRO 71 14.047 -7.247 -7.247 551 H LEU 72 HN LEU 72 16.610 -6.820 -6.820 552 HA LEU 72 HA LEU 72 16.781 -7.156 -7.156 553 1HB LEU 72 HB2 LEU 72 19.360 -6.345 -6.345 554 2HB LEU 72 HB1 LEU 72 18.927 -7.792 -7.792 555 HG LEU 72 HG LEU 72 19.517 -8.624 -8.624 556 1HD1 LEU 72 HD11 LEU 72 16.816 -8.847 -8.847 557 2HD1 LEU 72 HD13 LEU 72 16.782 -8.460 -8.460 558 3HD1 LEU 72 HD12 LEU 72 17.687 -9.848 -9.848 559 1HD2 LEU 72 HD21 LEU 72 19.707 -6.415 -6.415 560 2HD2 LEU 72 HD23 LEU 72 18.920 -7.589 -7.589 561 3HD2 LEU 72 HD22 LEU 72 17.966 -6.366 -6.366 562 H LEU 73 HN LEU 73 17.437 -4.328 -4.328 563 HA LEU 73 HA LEU 73 18.324 -2.720 -2.720 564 1HB LEU 73 HB2 LEU 73 17.081 -1.734 -1.734 565 2HB LEU 73 HB1 LEU 73 18.044 -0.801 -0.801 566 HG LEU 73 HG LEU 73 19.819 -2.706 -2.706 567 1HD1 LEU 73 HD13 LEU 73 17.797 -3.427 -3.427 568 2HD1 LEU 73 HD12 LEU 73 19.288 -3.031 -3.031 569 3HD1 LEU 73 HD11 LEU 73 19.291 -4.251 -4.251 570 1HD2 LEU 73 HD21 LEU 73 19.281 -0.384 -0.384 571 2HD2 LEU 73 HD23 LEU 73 20.424 -0.509 -0.509 572 3HD2 LEU 73 HD22 LEU 73 20.713 -1.389 -1.389 573 H SER 74 HN SER 74 15.249 -3.735 -3.735 574 HA SER 74 HA SER 74 13.650 -1.693 -1.693 575 1HB SER 74 HB2 SER 74 12.711 -3.461 -3.461 576 2HB SER 74 HB1 SER 74 12.928 -4.637 -4.637 577 HG SER 74 HG SER 74 11.135 -2.507 -2.507 578 H ALA 75 HN ALA 75 14.714 -4.727 -4.727 579 HA ALA 75 HA ALA 75 13.604 -4.023 -4.023 580 1HB ALA 75 HB2 ALA 75 15.799 -5.988 -5.988 581 2HB ALA 75 HB1 ALA 75 14.950 -5.890 -5.890 582 3HB ALA 75 HB3 ALA 75 14.075 -6.344 -6.344 583 H VAL 76 HN VAL 76 16.715 -3.405 -3.405 584 HA VAL 76 HA VAL 76 18.342 -2.729 -2.729 585 HB VAL 76 HB VAL 76 17.997 -1.414 -1.414 586 1HG1 VAL 76 HG11 VAL 76 20.046 -0.873 -0.873 587 2HG1 VAL 76 HG13 VAL 76 20.325 -0.505 -0.505 588 3HG1 VAL 76 HG12 VAL 76 19.024 0.299 0.299 589 1HG2 VAL 76 HG23 VAL 76 19.998 -3.309 -3.309 590 2HG2 VAL 76 HG22 VAL 76 18.748 -3.708 -3.708 591 3HG2 VAL 76 HG21 VAL 76 20.078 -2.648 -2.648 592 H TYR 77 HN TYR 77 16.462 -0.230 -0.230 593 HA TYR 77 HA TYR 77 16.662 1.534 1.534 594 1HB TYR 77 HB2 TYR 77 14.429 1.974 1.974 595 2HB TYR 77 HB1 TYR 77 15.656 3.098 3.098 596 HD1 TYR 77 HD1 TYR 77 14.870 0.443 0.443 597 HD2 TYR 77 HD2 TYR 77 17.760 3.343 3.343 598 HE1 TYR 77 HE1 TYR 77 16.070 0.213 0.213 599 HE2 TYR 77 HE2 TYR 77 18.953 3.118 3.118 600 HH TYR 77 HH TYR 77 19.161 1.257 1.257 601 H GLU 78 HN GLU 78 15.714 -0.889 -0.889 602 HA GLU 78 HA GLU 78 12.896 -0.160 -0.160 603 1HB GLU 78 HB2 GLU 78 13.256 -2.217 -2.217 604 2HB GLU 78 HB1 GLU 78 13.721 -3.058 -3.058 605 1HG GLU 78 HG2 GLU 78 11.523 -2.114 -2.114 606 2HG GLU 78 HG1 GLU 78 11.051 -1.808 -1.808 607 H GLY 79 HN GLY 79 15.982 -1.628 -1.628 608 1HA GLY 79 HA2 GLY 79 16.896 -1.624 -1.624 609 2HA GLY 79 HA1 GLY 79 15.291 -1.249 -1.249 610 H HIS 80 HN HIS 80 14.631 -3.494 -3.494 611 HA HIS 80 HA HIS 80 14.359 -5.675 -5.675 612 1HB HIS 80 HB2 HIS 80 13.633 -5.188 -5.188 613 2HB HIS 80 HB1 HIS 80 13.751 -6.858 -6.858 614 HD1 HIS 80 HD1 HIS 80 11.546 -7.705 -7.705 615 HD2 HIS 80 HD2 HIS 80 11.971 -3.727 -3.727 616 HE1 HIS 80 HE1 HIS 80 9.458 -7.125 -7.125 617 H VAL 81 HN VAL 81 15.987 -5.376 -5.376 618 HA VAL 81 HA VAL 81 17.643 -6.809 -6.809 619 HB VAL 81 HB VAL 81 19.788 -6.161 -6.161 620 1HG1 VAL 81 HG12 VAL 81 18.097 -4.739 -4.739 621 2HG1 VAL 81 HG11 VAL 81 18.898 -3.599 -3.599 622 3HG1 VAL 81 HG13 VAL 81 19.855 -4.747 -4.747 623 1HG2 VAL 81 HG21 VAL 81 18.376 -5.552 -5.552 624 2HG2 VAL 81 HG23 VAL 81 19.386 -4.229 -4.229 625 3HG2 VAL 81 HG22 VAL 81 17.674 -4.249 -4.249 626 H SER 82 HN SER 82 15.985 -8.162 -8.162 627 HA SER 82 HA SER 82 17.881 -10.135 -10.135 628 1HB SER 82 HB2 SER 82 15.012 -9.441 -9.441 629 2HB SER 82 HB1 SER 82 15.308 -11.176 -11.176 630 HG SER 82 HG SER 82 17.084 -10.554 -10.554 631 H CYS 83 HN CYS 83 15.914 -9.321 -9.321 632 HA CYS 83 HA CYS 83 15.826 -11.974 -11.974 633 1HB CYS 83 HB2 CYS 83 14.981 -10.371 -10.371 634 2HB CYS 83 HB1 CYS 83 13.940 -10.806 -10.806 635 HG CYS 83 HG CYS 83 14.760 -8.011 -8.011 636 H VAL 84 HN VAL 84 17.350 -8.817 -8.817 637 HA VAL 84 HA VAL 84 18.797 -9.450 -9.450 638 HB VAL 84 HB VAL 84 20.593 -7.977 -7.977 639 1HG1 VAL 84 HG11 VAL 84 17.774 -7.169 -7.169 640 2HG1 VAL 84 HG13 VAL 84 19.130 -6.044 -6.044 641 3HG1 VAL 84 HG12 VAL 84 18.688 -6.779 -6.779 642 1HG2 VAL 84 HG23 VAL 84 19.298 -8.470 -8.470 643 2HG2 VAL 84 HG22 VAL 84 20.980 -8.732 -8.732 644 3HG2 VAL 84 HG21 VAL 84 20.352 -7.090 -7.090 645 H LYS 85 HN LYS 85 19.612 -10.443 -10.443 646 HA LYS 85 HA LYS 85 22.119 -11.582 -11.582 647 1HB LYS 85 HB2 LYS 85 20.577 -11.209 -11.209 648 2HB LYS 85 HB1 LYS 85 20.563 -12.968 -12.968 649 1HG LYS 85 HG2 LYS 85 22.989 -13.040 -13.040 650 2HG LYS 85 HG1 LYS 85 23.087 -11.288 -11.288 651 1HD LYS 85 HD2 LYS 85 21.806 -11.262 -11.262 652 2HD LYS 85 HD1 LYS 85 22.147 -12.997 -12.997 653 1HE LYS 85 HE2 LYS 85 24.593 -12.431 -12.431 654 2HE LYS 85 HE1 LYS 85 24.163 -10.737 -10.737 655 1HZ LYS 85 HZ1 LYS 85 23.106 -11.524 -11.524 656 2HZ LYS 85 HZ3 LYS 85 23.930 -12.986 -12.986 657 3HZ LYS 85 HZ2 LYS 85 24.804 -11.543 -11.543 658 H LEU 86 HN LEU 86 19.130 -13.531 -13.531 659 HA LEU 86 HA LEU 86 20.312 -15.827 -15.827 660 1HB LEU 86 HB2 LEU 86 18.517 -16.987 -16.987 661 2HB LEU 86 HB1 LEU 86 18.208 -15.533 -15.533 662 HG LEU 86 HG LEU 86 16.161 -16.166 -16.166 663 1HD1 LEU 86 HD12 LEU 86 17.116 -13.700 -13.700 664 2HD1 LEU 86 HD11 LEU 86 16.795 -14.065 -14.065 665 3HD1 LEU 86 HD13 LEU 86 15.496 -14.165 -14.165 666 1HD2 LEU 86 HD23 LEU 86 17.625 -17.348 -17.348 667 2HD2 LEU 86 HD22 LEU 86 15.874 -17.190 -17.190 668 3HD2 LEU 86 HD21 LEU 86 16.844 -15.993 -15.993 669 H LEU 87 HN LEU 87 19.236 -13.016 -13.016 670 HA LEU 87 HA LEU 87 18.029 -14.018 -14.018 671 1HB LEU 87 HB2 LEU 87 18.551 -11.514 -11.514 672 2HB LEU 87 HB1 LEU 87 19.347 -11.463 -11.463 673 HG LEU 87 HG LEU 87 16.472 -12.335 -12.335 674 1HD1 LEU 87 HD12 LEU 87 17.685 -9.675 -9.675 675 2HD1 LEU 87 HD11 LEU 87 15.974 -10.084 -10.084 676 3HD1 LEU 87 HD13 LEU 87 16.707 -10.012 -10.012 677 1HD2 LEU 87 HD22 LEU 87 18.162 -11.591 -11.591 678 2HD2 LEU 87 HD21 LEU 87 17.508 -13.188 -13.188 679 3HD2 LEU 87 HD23 LEU 87 16.424 -11.865 -11.865 680 H LEU 88 HN LEU 88 21.243 -12.357 -12.357 681 HA LEU 88 HA LEU 88 21.975 -13.270 -13.270 682 1HB LEU 88 HB2 LEU 88 24.234 -12.725 -12.725 683 2HB LEU 88 HB1 LEU 88 23.252 -11.513 -11.513 684 HG LEU 88 HG LEU 88 24.975 -12.071 -12.071 685 1HD1 LEU 88 HD12 LEU 88 22.636 -12.100 -12.100 686 2HD1 LEU 88 HD11 LEU 88 22.685 -13.857 -13.857 687 3HD1 LEU 88 HD13 LEU 88 23.813 -13.031 -13.031 688 1HD2 LEU 88 HD22 LEU 88 25.296 -14.434 -14.434 689 2HD2 LEU 88 HD21 LEU 88 25.970 -14.113 -14.113 690 3HD2 LEU 88 HD23 LEU 88 24.460 -15.004 -15.004 691 H SER 89 HN SER 89 21.428 -15.115 -15.115 692 HA SER 89 HA SER 89 23.376 -17.149 -17.149 693 1HB SER 89 HB2 SER 89 21.886 -18.448 -18.448 694 2HB SER 89 HB1 SER 89 21.306 -16.823 -16.823 695 HG SER 89 HG SER 89 20.286 -18.673 -18.673 696 H LYS 90 HN LYS 90 20.734 -16.227 -16.227 697 HA LYS 90 HA LYS 90 21.039 -18.644 -18.644 698 1HB LYS 90 HB2 LYS 90 19.045 -16.344 -16.344 699 2HB LYS 90 HB1 LYS 90 19.026 -17.665 -17.665 700 1HG LYS 90 HG2 LYS 90 17.643 -18.689 -18.689 701 2HG LYS 90 HG1 LYS 90 19.123 -19.066 -19.066 702 1HD LYS 90 HD2 LYS 90 17.870 -18.080 -18.080 703 2HD LYS 90 HD1 LYS 90 18.741 -16.675 -16.675 704 1HE LYS 90 HE2 LYS 90 16.848 -16.023 -16.023 705 2HE LYS 90 HE1 LYS 90 15.967 -17.492 -17.492 706 1HZ LYS 90 HZ1 LYS 90 16.256 -16.701 -16.701 707 2HZ LYS 90 HZ3 LYS 90 16.665 -15.190 -15.190 708 3HZ LYS 90 HZ2 LYS 90 15.136 -15.867 -15.867 709 H GLY 91 HN GLY 91 21.883 -15.314 -15.314 710 1HA GLY 91 HA2 GLY 91 23.869 -14.924 -14.924 711 2HA GLY 91 HA1 GLY 91 22.604 -15.166 -15.166 712 H ALA 92 HN ALA 92 20.987 -13.635 -13.635 713 HA ALA 92 HA ALA 92 20.278 -11.432 -11.432 714 1HB ALA 92 HB1 ALA 92 20.150 -12.229 -12.229 715 2HB ALA 92 HB3 ALA 92 20.655 -10.544 -10.544 716 3HB ALA 92 HB2 ALA 92 19.167 -11.030 -11.030 717 H ASP 93 HN ASP 93 23.434 -12.105 -12.105 718 HA ASP 93 HA ASP 93 25.421 -10.805 -10.805 719 1HB ASP 93 HB2 ASP 93 24.689 -10.553 -10.553 720 2HB ASP 93 HB1 ASP 93 23.781 -9.113 -9.113 721 H LYS 94 HN LYS 94 24.449 -7.772 -7.772 722 HA LYS 94 HA LYS 94 23.308 -6.994 -6.994 723 1HB LYS 94 HB2 LYS 94 25.570 -7.417 -7.417 724 2HB LYS 94 HB1 LYS 94 26.253 -6.391 -6.391 725 1HG LYS 94 HG2 LYS 94 26.113 -5.159 -5.159 726 2HG LYS 94 HG1 LYS 94 25.037 -4.457 -4.457 727 1HD LYS 94 HD2 LYS 94 23.800 -6.551 -6.551 728 2HD LYS 94 HD1 LYS 94 24.304 -5.120 -5.120 729 1HE LYS 94 HE2 LYS 94 23.006 -3.828 -3.828 730 2HE LYS 94 HE1 LYS 94 22.172 -5.366 -5.366 731 1HZ LYS 94 HZ3 LYS 94 22.474 -4.016 -4.016 732 2HZ LYS 94 HZ2 LYS 94 21.127 -3.801 -3.801 733 3HZ LYS 94 HZ1 LYS 94 21.480 -5.337 -5.337 734 H THR 95 HN THR 95 24.953 -6.155 -6.155 735 HA THR 95 HA THR 95 23.243 -3.709 -3.709 736 HB THR 95 HB THR 95 25.192 -2.648 -2.648 737 HG1 THR 95 HG1 THR 95 27.045 -3.644 -3.644 738 1HG2 THR 95 HG22 THR 95 25.562 -3.312 -3.312 739 2HG2 THR 95 HG21 THR 95 26.343 -1.983 -1.983 740 3HG2 THR 95 HG23 THR 95 24.592 -1.989 -1.989 741 H VAL 96 HN VAL 96 22.482 -6.091 -6.091 742 HA VAL 96 HA VAL 96 23.322 -6.357 -6.357 743 HB VAL 96 HB VAL 96 21.630 -7.851 -7.851 744 1HG1 VAL 96 HG11 VAL 96 21.101 -7.995 -7.995 745 2HG1 VAL 96 HG13 VAL 96 20.565 -9.206 -9.206 746 3HG1 VAL 96 HG12 VAL 96 19.946 -7.556 -7.556 747 1HG2 VAL 96 HG21 VAL 96 24.036 -8.348 -8.348 748 2HG2 VAL 96 HG23 VAL 96 22.899 -9.696 -9.696 749 3HG2 VAL 96 HG22 VAL 96 23.271 -8.928 -8.928 750 H LYS 97 HN LYS 97 21.283 -4.258 -4.258 751 HA LYS 97 HA LYS 97 20.096 -3.427 -3.427 752 1HB LYS 97 HB2 LYS 97 18.642 -5.214 -5.214 753 2HB LYS 97 HB1 LYS 97 17.833 -3.657 -3.657 754 1HG LYS 97 HG2 LYS 97 18.634 -4.985 -4.985 755 2HG LYS 97 HG1 LYS 97 17.075 -5.265 -5.265 756 1HD LYS 97 HD2 LYS 97 16.403 -3.018 -3.018 757 2HD LYS 97 HD1 LYS 97 18.056 -2.466 -2.466 758 1HE LYS 97 HE2 LYS 97 16.597 -4.366 -4.366 759 2HE LYS 97 HE1 LYS 97 16.581 -2.616 -2.616 760 1HZ LYS 97 HZ3 LYS 97 19.190 -3.200 -3.200 761 2HZ LYS 97 HZ2 LYS 97 18.652 -4.515 -4.515 762 3HZ LYS 97 HZ1 LYS 97 18.460 -2.922 -2.922 763 H GLY 98 HN GLY 98 21.003 -2.711 -2.711 764 1HA GLY 98 HA2 GLY 98 19.471 -0.241 -0.241 765 2HA GLY 98 HA1 GLY 98 20.835 -0.680 -0.680 766 HA PRO 99 HA PRO 99 21.857 2.722 2.722 767 1HB PRO 99 HB2 PRO 99 23.168 3.749 3.749 768 2HB PRO 99 HB1 PRO 99 22.258 4.644 4.644 769 1HG PRO 99 HG2 PRO 99 21.231 4.009 4.009 770 2HG PRO 99 HG1 PRO 99 20.231 4.228 4.228 771 1HD PRO 99 HD2 PRO 99 20.841 1.719 1.719 772 2HD PRO 99 HD1 PRO 99 19.554 2.046 2.046 773 H ASP 100 HN ASP 100 24.087 2.206 2.206 774 HA ASP 100 HA ASP 100 25.741 0.317 0.317 775 1HB ASP 100 HB2 ASP 100 26.347 2.308 2.308 776 2HB ASP 100 HB1 ASP 100 26.704 3.195 3.195 777 H GLY 101 HN GLY 101 27.657 2.468 2.468 778 1HA GLY 101 HA2 GLY 101 28.057 0.667 0.667 779 2HA GLY 101 HA1 GLY 101 28.555 2.355 2.355 780 H LEU 102 HN LEU 102 25.218 2.378 2.378 781 HA LEU 102 HA LEU 102 24.671 3.525 3.525 782 1HB LEU 102 HB2 LEU 102 23.099 3.666 3.666 783 2HB LEU 102 HB1 LEU 102 22.608 2.013 2.013 784 HG LEU 102 HG LEU 102 22.505 4.253 4.253 785 1HD1 LEU 102 HD11 LEU 102 20.347 3.245 3.245 786 2HD1 LEU 102 HD13 LEU 102 20.030 4.191 4.191 787 3HD1 LEU 102 HD12 LEU 102 20.975 4.892 4.892 788 1HD2 LEU 102 HD23 LEU 102 21.691 1.395 1.395 789 2HD2 LEU 102 HD22 LEU 102 22.375 2.425 2.425 790 3HD2 LEU 102 HD21 LEU 102 20.671 2.557 2.557 791 H THR 103 HN THR 103 23.276 0.467 0.467 792 HA THR 103 HA THR 103 22.504 -1.159 -1.159 793 HB THR 103 HB THR 103 24.408 -2.258 -2.258 794 HG1 THR 103 HG1 THR 103 25.140 -3.293 -3.293 795 1HG2 THR 103 HG22 THR 103 26.054 -0.195 -0.195 796 2HG2 THR 103 HG21 THR 103 26.712 -1.592 -1.592 797 3HG2 THR 103 HG23 THR 103 25.859 -0.346 -0.346 798 H ALA 104 HN ALA 104 25.105 -0.915 -0.915 799 HA ALA 104 HA ALA 104 23.358 0.163 0.163 800 1HB ALA 104 HB1 ALA 104 24.665 -1.907 -1.907 801 2HB ALA 104 HB3 ALA 104 26.130 -0.931 -0.931 802 3HB ALA 104 HB2 ALA 104 25.032 -0.685 -0.685 803 H LEU 105 HN LEU 105 26.292 1.076 1.076 804 HA LEU 105 HA LEU 105 27.387 2.943 2.943 805 1HB LEU 105 HB2 LEU 105 27.064 3.447 3.447 806 2HB LEU 105 HB1 LEU 105 28.356 3.986 3.986 807 HG LEU 105 HG LEU 105 27.788 1.156 1.156 808 1HD1 LEU 105 HD13 LEU 105 28.985 2.674 2.674 809 2HD1 LEU 105 HD12 LEU 105 30.163 3.016 3.016 810 3HD1 LEU 105 HD11 LEU 105 30.034 1.387 1.387 811 1HD2 LEU 105 HD21 LEU 105 29.611 2.310 2.310 812 2HD2 LEU 105 HD23 LEU 105 28.482 0.962 0.962 813 3HD2 LEU 105 HD22 LEU 105 29.961 0.771 0.771 814 H GLU 106 HN GLU 106 25.114 3.939 3.939 815 HA GLU 106 HA GLU 106 24.839 6.489 6.489 816 1HB GLU 106 HB2 GLU 106 24.594 7.150 7.150 817 2HB GLU 106 HB1 GLU 106 24.340 5.510 5.510 818 1HG GLU 106 HG2 GLU 106 22.378 6.560 6.560 819 2HG GLU 106 HG1 GLU 106 21.861 5.895 5.895 820 H ALA 107 HN ALA 107 23.341 3.516 3.516 821 HA ALA 107 HA ALA 107 20.654 4.452 4.452 822 1HB ALA 107 HB1 ALA 107 22.032 1.885 1.885 823 2HB ALA 107 HB3 ALA 107 20.300 2.164 2.164 824 3HB ALA 107 HB2 ALA 107 21.104 2.161 2.161 825 H THR 108 HN THR 108 23.309 3.538 3.538 826 HA THR 108 HA THR 108 21.839 4.951 4.951 827 HB THR 108 HB THR 108 20.940 2.675 2.675 828 HG1 THR 108 HG1 THR 108 21.249 3.644 3.644 829 1HG2 THR 108 HG23 THR 108 23.183 1.860 1.860 830 2HG2 THR 108 HG22 THR 108 23.704 1.643 1.643 831 3HG2 THR 108 HG21 THR 108 22.316 0.755 0.755 832 H ASP 109 HN ASP 109 23.039 3.691 3.691 833 HA ASP 109 HA ASP 109 25.942 3.803 3.803 834 1HB ASP 109 HB2 ASP 109 25.225 6.174 6.174 835 2HB ASP 109 HB1 ASP 109 24.469 5.642 5.642 836 H ASN 110 HN ASN 110 23.182 2.401 2.401 837 HA ASN 110 HA ASN 110 24.044 1.576 1.576 838 1HB ASN 110 HB2 ASN 110 22.084 -0.080 -0.080 839 2HB ASN 110 HB1 ASN 110 21.699 1.638 1.638 840 1HD2 ASN 110 HD21 ASN 110 23.352 0.513 0.513 841 2HD2 ASN 110 HD22 ASN 110 22.032 0.550 0.550 842 H GLN 111 HN GLN 111 25.282 -0.140 -0.140 843 HA GLN 111 HA GLN 111 26.710 -1.380 -1.380 844 1HB GLN 111 HB2 GLN 111 27.823 -0.874 -0.874 845 2HB GLN 111 HB1 GLN 111 26.607 -1.652 -1.652 846 1HG GLN 111 HG2 GLN 111 27.382 -3.817 -3.817 847 2HG GLN 111 HG1 GLN 111 28.229 -3.265 -3.265 848 1HE2 GLN 111 HE21 GLN 111 30.350 -2.311 -2.311 849 2HE2 GLN 111 HE22 GLN 111 31.172 -2.292 -2.292 850 H ALA 112 HN ALA 112 23.643 -2.205 -2.205 851 HA ALA 112 HA ALA 112 23.992 -5.121 -5.121 852 1HB ALA 112 HB1 ALA 112 21.634 -3.254 -3.254 853 2HB ALA 112 HB3 ALA 112 21.438 -4.993 -4.993 854 3HB ALA 112 HB2 ALA 112 22.053 -4.370 -4.370 855 H ILE 113 HN ILE 113 22.989 -2.587 -2.587 856 HA ILE 113 HA ILE 113 22.463 -4.191 -4.191 857 HB ILE 113 HB ILE 113 23.144 -1.249 -1.249 858 1HG1 ILE 113 HG12 ILE 113 20.777 -0.810 -0.810 859 2HG1 ILE 113 HG11 ILE 113 20.432 -2.513 -2.513 860 1HG2 ILE 113 HG22 ILE 113 23.587 -2.219 -2.219 861 2HG2 ILE 113 HG21 ILE 113 21.887 -2.619 -2.619 862 3HG2 ILE 113 HG23 ILE 113 22.384 -0.941 -0.941 863 1HD1 ILE 113 HD13 ILE 113 21.743 -1.572 -1.572 864 2HD1 ILE 113 HD12 ILE 113 19.999 -1.523 -1.523 865 3HD1 ILE 113 HD11 ILE 113 20.852 -3.065 -3.065 866 H LYS 114 HN LYS 114 24.947 -1.901 -1.901 867 HA LYS 114 HA LYS 114 26.682 -2.209 -2.209 868 1HB LYS 114 HB2 LYS 114 27.703 -1.892 -1.892 869 2HB LYS 114 HB1 LYS 114 28.347 -1.205 -1.205 870 1HG LYS 114 HG2 LYS 114 25.576 -0.320 -0.320 871 2HG LYS 114 HG1 LYS 114 26.513 0.034 0.034 872 1HD LYS 114 HD2 LYS 114 26.772 1.955 1.955 873 2HD LYS 114 HD1 LYS 114 28.252 1.064 1.064 874 1HE LYS 114 HE2 LYS 114 27.369 1.817 1.817 875 2HE LYS 114 HE1 LYS 114 27.037 0.083 0.083 876 1HZ LYS 114 HZ1 LYS 114 24.840 0.776 0.776 877 2HZ LYS 114 HZ3 LYS 114 25.182 2.346 2.346 878 3HZ LYS 114 HZ2 LYS 114 25.039 1.071 1.071 879 H ALA 115 HN ALA 115 25.692 -4.497 -4.497 880 HA ALA 115 HA ALA 115 27.989 -6.210 -6.210 881 1HB ALA 115 HB2 ALA 115 25.854 -6.336 -6.336 882 2HB ALA 115 HB1 ALA 115 25.136 -7.200 -7.200 883 3HB ALA 115 HB3 ALA 115 26.561 -7.850 -7.850 884 H LEU 116 HN LEU 116 25.119 -5.906 -5.906 885 HA LEU 116 HA LEU 116 25.961 -8.129 -8.129 886 1HB LEU 116 HB2 LEU 116 24.030 -5.901 -5.901 887 2HB LEU 116 HB1 LEU 116 24.660 -6.543 -6.543 888 HG LEU 116 HG LEU 116 22.994 -7.926 -7.926 889 1HD1 LEU 116 HD11 LEU 116 22.804 -7.559 -7.559 890 2HD1 LEU 116 HD13 LEU 116 21.693 -8.539 -8.539 891 3HD1 LEU 116 HD12 LEU 116 21.796 -6.800 -6.800 892 1HD2 LEU 116 HD21 LEU 116 24.907 -9.165 -9.165 893 2HD2 LEU 116 HD23 LEU 116 24.478 -9.712 -9.712 894 3HD2 LEU 116 HD22 LEU 116 23.368 -9.960 -9.960 895 H LEU 117 HN LEU 117 27.008 -4.851 -4.851 896 HA LEU 117 HA LEU 117 28.259 -4.739 -4.739 897 1HB LEU 117 HB2 LEU 117 27.677 -2.878 -2.878 898 2HB LEU 117 HB1 LEU 117 29.415 -3.053 -3.053 899 HG LEU 117 HG LEU 117 28.940 -1.273 -1.273 900 1HD1 LEU 117 HD13 LEU 117 30.924 -2.742 -2.742 901 2HD1 LEU 117 HD12 LEU 117 30.025 -3.696 -3.696 902 3HD1 LEU 117 HD11 LEU 117 30.393 -2.001 -2.001 903 1HD2 LEU 117 HD21 LEU 117 26.778 -2.787 -2.787 904 2HD2 LEU 117 HD23 LEU 117 27.412 -1.430 -1.430 905 3HD2 LEU 117 HD22 LEU 117 27.896 -3.077 -3.077 906 H GLN 118 HN GLN 118 28.819 -6.790 -6.790 907 HA GLN 118 HA GLN 118 31.634 -6.589 -6.589 908 1HB GLN 118 HB2 GLN 118 31.447 -8.814 -8.814 909 2HB GLN 118 HB1 GLN 118 30.017 -7.903 -7.903 910 1HG GLN 118 HG2 GLN 118 29.100 -9.937 -9.937 911 2HG GLN 118 HG1 GLN 118 28.954 -8.923 -8.923 912 1HE2 GLN 118 HE21 GLN 118 29.097 -10.748 -10.748 913 2HE2 GLN 118 HE22 GLN 118 30.540 -11.616 -11.616 Start of MODEL 39 1 1H MET 1 HT1 MET 1 -11.098 -9.427 -9.427 2 2H MET 1 HT3 MET 1 -12.670 -8.917 -8.917 3 3H MET 1 HT2 MET 1 -11.352 -7.880 -7.880 4 HA MET 1 HA MET 1 -11.257 -8.632 -8.632 5 1HB MET 1 HB2 MET 1 -13.186 -10.741 -10.741 6 2HB MET 1 HB1 MET 1 -12.685 -10.611 -10.611 7 1HG MET 1 HG2 MET 1 -13.646 -8.430 -8.430 8 2HG MET 1 HG1 MET 1 -13.880 -8.290 -8.290 9 1HE MET 1 HE3 MET 1 -14.466 -10.169 -10.169 10 2HE MET 1 HE2 MET 1 -15.846 -9.089 -9.089 11 3HE MET 1 HE1 MET 1 -16.112 -10.814 -10.814 12 H CYS 2 HN CYS 2 -9.989 -10.152 -10.152 13 HA CYS 2 HA CYS 2 -8.870 -12.482 -12.482 14 1HB CYS 2 HB2 CYS 2 -8.294 -11.525 -11.525 15 2HB CYS 2 HB1 CYS 2 -7.906 -13.104 -13.104 16 HG CYS 2 HG CYS 2 -10.901 -12.250 -12.250 17 H ASP 3 HN ASP 3 -7.514 -9.764 -9.764 18 HA ASP 3 HA ASP 3 -4.841 -10.013 -10.013 19 1HB ASP 3 HB2 ASP 3 -6.380 -7.418 -7.418 20 2HB ASP 3 HB1 ASP 3 -4.630 -7.597 -7.597 21 H LYS 4 HN LYS 4 -7.483 -8.728 -8.728 22 HA LYS 4 HA LYS 4 -6.030 -7.407 -7.407 23 1HB LYS 4 HB2 LYS 4 -8.570 -9.046 -9.046 24 2HB LYS 4 HB1 LYS 4 -7.989 -7.864 -7.864 25 1HG LYS 4 HG2 LYS 4 -7.994 -6.167 -6.167 26 2HG LYS 4 HG1 LYS 4 -8.898 -7.359 -7.359 27 1HD LYS 4 HD2 LYS 4 -10.625 -7.412 -7.412 28 2HD LYS 4 HD1 LYS 4 -9.738 -6.158 -6.158 29 1HE LYS 4 HE2 LYS 4 -10.832 -5.881 -5.881 30 2HE LYS 4 HE1 LYS 4 -11.578 -5.201 -5.201 31 1HZ LYS 4 HZ1 LYS 4 -9.024 -4.346 -4.346 32 2HZ LYS 4 HZ3 LYS 4 -9.291 -4.288 -4.288 33 3HZ LYS 4 HZ2 LYS 4 -10.314 -3.431 -3.431 34 H GLU 5 HN GLU 5 -7.452 -10.638 -10.638 35 HA GLU 5 HA GLU 5 -5.920 -11.419 -11.419 36 1HB GLU 5 HB2 GLU 5 -7.781 -12.712 -12.712 37 2HB GLU 5 HB1 GLU 5 -6.490 -13.338 -13.338 38 1HG GLU 5 HG2 GLU 5 -6.710 -14.949 -14.949 39 2HG GLU 5 HG1 GLU 5 -5.304 -13.990 -13.990 40 H PHE 6 HN PHE 6 -4.816 -10.917 -10.917 41 HA PHE 6 HA PHE 6 -2.483 -12.619 -12.619 42 1HB PHE 6 HB2 PHE 6 -3.696 -11.477 -11.477 43 2HB PHE 6 HB1 PHE 6 -2.579 -10.160 -10.160 44 HD1 PHE 6 HD2 PHE 6 -0.397 -12.298 -12.298 45 HD2 PHE 6 HD1 PHE 6 -2.642 -11.814 -11.814 46 HE1 PHE 6 HE2 PHE 6 1.357 -13.514 -13.514 47 HE2 PHE 6 HE1 PHE 6 -0.879 -13.033 -13.033 48 HZ PHE 6 HZ PHE 6 1.120 -13.883 -13.883 49 H MET 7 HN MET 7 -2.325 -9.039 -9.039 50 HA MET 7 HA MET 7 0.207 -8.926 -8.926 51 1HB MET 7 HB2 MET 7 0.142 -6.625 -6.625 52 2HB MET 7 HB1 MET 7 -0.965 -7.156 -7.156 53 1HG MET 7 HG2 MET 7 -1.777 -6.200 -6.200 54 2HG MET 7 HG1 MET 7 -1.900 -5.266 -5.266 55 1HE MET 7 HE2 MET 7 -3.307 -5.503 -5.503 56 2HE MET 7 HE1 MET 7 -3.019 -7.169 -7.169 57 3HE MET 7 HE3 MET 7 -4.669 -6.595 -6.595 58 H TRP 8 HN TRP 8 -3.039 -8.921 -8.921 59 HA TRP 8 HA TRP 8 -2.375 -7.774 -7.774 60 1HB TRP 8 HB2 TRP 8 -4.724 -8.219 -8.219 61 2HB TRP 8 HB1 TRP 8 -4.470 -9.910 -9.910 62 HD1 TRP 8 HD1 TRP 8 -4.977 -10.547 -10.547 63 HE1 TRP 8 HE1 TRP 8 -5.384 -9.255 -9.255 64 HE3 TRP 8 HE3 TRP 8 -3.972 -5.796 -5.796 65 HZ2 TRP 8 HZ2 TRP 8 -5.293 -6.559 -6.559 66 HZ3 TRP 8 HZ3 TRP 8 -4.138 -3.887 -3.887 67 HH2 TRP 8 HH2 TRP 8 -4.797 -4.262 -4.262 68 H ALA 9 HN ALA 9 -1.714 -10.862 -10.862 69 HA ALA 9 HA ALA 9 -1.180 -12.127 -12.127 70 1HB ALA 9 HB2 ALA 9 -0.659 -13.119 -13.119 71 2HB ALA 9 HB1 ALA 9 -0.486 -14.078 -14.078 72 3HB ALA 9 HB3 ALA 9 -2.076 -13.500 -13.500 73 H LEU 10 HN LEU 10 0.747 -11.316 -11.316 74 HA LEU 10 HA LEU 10 3.313 -11.824 -11.824 75 1HB LEU 10 HB2 LEU 10 2.498 -9.505 -9.505 76 2HB LEU 10 HB1 LEU 10 4.123 -10.171 -10.171 77 HG LEU 10 HG LEU 10 2.166 -12.240 -12.240 78 1HD1 LEU 10 HD13 LEU 10 2.240 -9.735 -9.735 79 2HD1 LEU 10 HD12 LEU 10 2.171 -11.280 -11.280 80 3HD1 LEU 10 HD11 LEU 10 0.908 -10.850 -10.850 81 1HD2 LEU 10 HD22 LEU 10 4.667 -12.378 -12.378 82 2HD2 LEU 10 HD21 LEU 10 3.841 -12.801 -12.801 83 3HD2 LEU 10 HD23 LEU 10 4.592 -11.218 -11.218 84 H LYS 11 HN LYS 11 0.972 -9.618 -9.618 85 HA LYS 11 HA LYS 11 2.773 -7.590 -7.590 86 1HB LYS 11 HB2 LYS 11 0.677 -6.931 -6.931 87 2HB LYS 11 HB1 LYS 11 -0.226 -7.959 -7.959 88 1HG LYS 11 HG2 LYS 11 1.503 -6.161 -6.161 89 2HG LYS 11 HG1 LYS 11 0.453 -5.257 -5.257 90 1HD LYS 11 HD2 LYS 11 -1.446 -6.767 -6.767 91 2HD LYS 11 HD1 LYS 11 -0.322 -7.171 -7.171 92 1HE LYS 11 HE2 LYS 11 -1.106 -4.354 -4.354 93 2HE LYS 11 HE1 LYS 11 -1.825 -5.275 -5.275 94 1HZ LYS 11 HZ3 LYS 11 0.639 -5.591 -5.591 95 2HZ LYS 11 HZ2 LYS 11 0.889 -4.192 -4.192 96 3HZ LYS 11 HZ1 LYS 11 -0.173 -4.156 -4.156 97 H ASN 12 HN ASN 12 -0.009 -9.192 -9.192 98 HA ASN 12 HA ASN 12 1.236 -8.850 -8.850 99 1HB ASN 12 HB2 ASN 12 -1.344 -9.154 -9.154 100 2HB ASN 12 HB1 ASN 12 -1.029 -10.722 -10.722 101 1HD2 ASN 12 HD21 ASN 12 -1.582 -10.745 -10.745 102 2HD2 ASN 12 HD22 ASN 12 -1.482 -9.416 -9.416 103 H GLY 13 HN GLY 13 2.535 -10.728 -10.728 104 1HA GLY 13 HA2 GLY 13 3.781 -12.688 -12.688 105 2HA GLY 13 HA1 GLY 13 3.461 -12.632 -12.632 106 H ASP 14 HN ASP 14 0.677 -12.696 -12.696 107 HA ASP 14 HA ASP 14 -0.154 -15.218 -15.218 108 1HB ASP 14 HB2 ASP 14 -1.370 -14.216 -14.216 109 2HB ASP 14 HB1 ASP 14 -2.124 -14.932 -14.932 110 H LEU 15 HN LEU 15 2.220 -15.695 -15.695 111 HA LEU 15 HA LEU 15 2.904 -16.408 -16.408 112 1HB LEU 15 HB2 LEU 15 4.381 -16.538 -16.538 113 2HB LEU 15 HB1 LEU 15 3.469 -17.911 -17.911 114 HG LEU 15 HG LEU 15 5.669 -18.389 -18.389 115 1HD1 LEU 15 HD11 LEU 15 3.288 -19.829 -19.829 116 2HD1 LEU 15 HD13 LEU 15 3.754 -19.996 -19.996 117 3HD1 LEU 15 HD12 LEU 15 4.871 -20.478 -20.478 118 1HD2 LEU 15 HD21 LEU 15 5.039 -16.766 -16.766 119 2HD2 LEU 15 HD23 LEU 15 5.736 -18.316 -18.316 120 3HD2 LEU 15 HD22 LEU 15 3.998 -18.061 -18.061 121 H ASP 16 HN ASP 16 0.577 -17.925 -17.925 122 HA ASP 16 HA ASP 16 0.406 -20.443 -20.443 123 1HB ASP 16 HB2 ASP 16 -1.639 -18.948 -18.948 124 2HB ASP 16 HB1 ASP 16 -1.733 -20.646 -20.646 125 H GLU 17 HN GLU 17 -1.130 -17.294 -17.294 126 HA GLU 17 HA GLU 17 -3.063 -18.324 -18.324 127 1HB GLU 17 HB2 GLU 17 -2.258 -15.608 -15.608 128 2HB GLU 17 HB1 GLU 17 -3.177 -15.737 -15.737 129 1HG GLU 17 HG2 GLU 17 -4.673 -15.469 -15.469 130 2HG GLU 17 HG1 GLU 17 -4.918 -17.027 -17.027 131 H VAL 18 HN VAL 18 0.085 -16.644 -16.644 132 HA VAL 18 HA VAL 18 -0.042 -16.410 -16.410 133 HB VAL 18 HB VAL 18 2.663 -16.708 -16.708 134 1HG1 VAL 18 HG11 VAL 18 1.557 -14.884 -14.884 135 2HG1 VAL 18 HG13 VAL 18 1.055 -14.160 -14.160 136 3HG1 VAL 18 HG12 VAL 18 2.771 -14.308 -14.308 137 1HG2 VAL 18 HG21 VAL 18 1.836 -16.928 -16.928 138 2HG2 VAL 18 HG23 VAL 18 3.092 -15.735 -15.735 139 3HG2 VAL 18 HG22 VAL 18 1.418 -15.218 -15.218 140 H LYS 19 HN LYS 19 1.204 -18.808 -18.808 141 HA LYS 19 HA LYS 19 2.454 -20.599 -20.599 142 1HB LYS 19 HB2 LYS 19 2.278 -20.687 -20.687 143 2HB LYS 19 HB1 LYS 19 0.673 -21.382 -21.382 144 1HG LYS 19 HG2 LYS 19 1.508 -23.377 -23.377 145 2HG LYS 19 HG1 LYS 19 3.002 -22.630 -22.630 146 1HD LYS 19 HD2 LYS 19 2.418 -22.716 -22.716 147 2HD LYS 19 HD1 LYS 19 3.040 -24.158 -24.158 148 1HE LYS 19 HE2 LYS 19 4.445 -21.607 -21.607 149 2HE LYS 19 HE1 LYS 19 4.660 -22.240 -22.240 150 1HZ LYS 19 HZ1 LYS 19 5.294 -24.374 -24.374 151 2HZ LYS 19 HZ3 LYS 19 5.146 -23.717 -23.717 152 3HZ LYS 19 HZ2 LYS 19 6.334 -23.125 -23.125 153 H ASP 20 HN ASP 20 -0.945 -19.964 -19.964 154 HA ASP 20 HA ASP 20 -1.914 -22.329 -22.329 155 1HB ASP 20 HB2 ASP 20 -3.260 -20.893 -20.893 156 2HB ASP 20 HB1 ASP 20 -3.345 -19.681 -19.681 157 H TYR 21 HN TYR 21 -1.522 -18.938 -18.938 158 HA TYR 21 HA TYR 21 -2.512 -19.281 -19.281 159 1HB TYR 21 HB2 TYR 21 -0.507 -17.387 -17.387 160 2HB TYR 21 HB1 TYR 21 -0.838 -17.349 -17.349 161 HD1 TYR 21 HD1 TYR 21 -2.704 -17.501 -17.501 162 HD2 TYR 21 HD2 TYR 21 -2.555 -15.959 -15.959 163 HE1 TYR 21 HE1 TYR 21 -4.763 -16.186 -16.186 164 HE2 TYR 21 HE2 TYR 21 -4.614 -14.646 -14.646 165 HH TYR 21 HH TYR 21 -6.537 -14.682 -14.682 166 H VAL 22 HN VAL 22 0.964 -19.333 -19.333 167 HA VAL 22 HA VAL 22 1.811 -20.221 -20.221 168 HB VAL 22 HB VAL 22 3.257 -19.184 -19.184 169 1HG1 VAL 22 HG12 VAL 22 2.560 -20.804 -20.804 170 2HG1 VAL 22 HG11 VAL 22 3.415 -22.075 -22.075 171 3HG1 VAL 22 HG13 VAL 22 4.310 -20.714 -20.714 172 1HG2 VAL 22 HG22 VAL 22 4.078 -20.211 -20.211 173 2HG2 VAL 22 HG21 VAL 22 5.243 -20.266 -20.266 174 3HG2 VAL 22 HG23 VAL 22 4.335 -21.714 -21.714 175 H ALA 23 HN ALA 23 0.135 -21.850 -21.850 176 HA ALA 23 HA ALA 23 1.158 -24.497 -24.497 177 1HB ALA 23 HB2 ALA 23 -0.687 -23.566 -23.566 178 2HB ALA 23 HB1 ALA 23 -1.791 -23.921 -23.921 179 3HB ALA 23 HB3 ALA 23 -0.853 -25.219 -25.219 180 H LYS 24 HN LYS 24 -0.797 -22.493 -22.493 181 HA LYS 24 HA LYS 24 -1.968 -24.419 -24.419 182 1HB LYS 24 HB2 LYS 24 -1.150 -21.554 -21.554 183 2HB LYS 24 HB1 LYS 24 -1.566 -22.442 -22.442 184 1HG LYS 24 HG2 LYS 24 -3.514 -21.243 -21.243 185 2HG LYS 24 HG1 LYS 24 -3.760 -22.979 -22.979 186 1HD LYS 24 HD2 LYS 24 -3.443 -23.389 -23.389 187 2HD LYS 24 HD1 LYS 24 -2.634 -21.844 -21.844 188 1HE LYS 24 HE2 LYS 24 -4.723 -20.640 -20.640 189 2HE LYS 24 HE1 LYS 24 -5.553 -22.142 -22.142 190 1HZ LYS 24 HZ3 LYS 24 -4.686 -22.860 -22.860 191 2HZ LYS 24 HZ2 LYS 24 -4.606 -21.186 -21.186 192 3HZ LYS 24 HZ1 LYS 24 -6.086 -21.911 -21.911 193 H GLY 25 HN GLY 25 0.769 -22.447 -22.447 194 1HA GLY 25 HA2 GLY 25 2.506 -24.704 -24.704 195 2HA GLY 25 HA1 GLY 25 1.686 -24.287 -24.287 196 H GLU 26 HN GLU 26 3.967 -23.202 -23.202 197 HA GLU 26 HA GLU 26 5.349 -21.285 -21.285 198 1HB GLU 26 HB2 GLU 26 6.809 -21.306 -21.306 199 2HB GLU 26 HB1 GLU 26 6.866 -22.685 -22.685 200 1HG GLU 26 HG2 GLU 26 5.258 -23.891 -23.891 201 2HG GLU 26 HG1 GLU 26 5.159 -22.503 -22.503 202 H ASP 27 HN ASP 27 4.125 -19.460 -19.460 203 HA ASP 27 HA ASP 27 3.966 -17.927 -17.927 204 1HB ASP 27 HB2 ASP 27 1.639 -18.329 -18.329 205 2HB ASP 27 HB1 ASP 27 1.665 -17.135 -17.135 206 H VAL 28 HN VAL 28 5.861 -17.679 -17.679 207 HA VAL 28 HA VAL 28 4.966 -15.527 -15.527 208 HB VAL 28 HB VAL 28 7.255 -15.885 -15.885 209 1HG1 VAL 28 HG11 VAL 28 5.400 -18.269 -18.269 210 2HG1 VAL 28 HG13 VAL 28 6.645 -18.121 -18.121 211 3HG1 VAL 28 HG12 VAL 28 5.282 -17.001 -17.001 212 1HG2 VAL 28 HG23 VAL 28 7.970 -16.957 -16.957 213 2HG2 VAL 28 HG22 VAL 28 8.709 -17.487 -17.487 214 3HG2 VAL 28 HG21 VAL 28 7.413 -18.436 -18.436 215 H ASN 29 HN ASN 29 4.819 -14.152 -14.152 216 HA ASN 29 HA ASN 29 6.919 -12.259 -12.259 217 1HB ASN 29 HB2 ASN 29 7.562 -12.703 -12.703 218 2HB ASN 29 HB1 ASN 29 8.343 -13.656 -13.656 219 1HD2 ASN 29 HD21 ASN 29 7.482 -15.883 -15.883 220 2HD2 ASN 29 HD22 ASN 29 6.670 -16.676 -16.676 221 H ARG 30 HN ARG 30 3.946 -12.667 -12.667 222 HA ARG 30 HA ARG 30 3.287 -11.014 -11.014 223 1HB ARG 30 HB2 ARG 30 0.855 -11.714 -11.714 224 2HB ARG 30 HB1 ARG 30 1.740 -12.697 -12.697 225 1HG ARG 30 HG2 ARG 30 2.701 -14.022 -14.022 226 2HG ARG 30 HG1 ARG 30 1.863 -13.029 -13.029 227 1HD ARG 30 HD2 ARG 30 0.676 -15.191 -15.191 228 2HD ARG 30 HD1 ARG 30 -0.298 -13.750 -13.750 229 HE ARG 30 HE ARG 30 0.938 -14.267 -14.267 230 1HH1 ARG 30 HH21 ARG 30 -1.082 -15.948 -15.948 231 2HH1 ARG 30 HH22 ARG 30 -1.829 -16.932 -16.932 232 1HH2 ARG 30 HH11 ARG 30 -0.029 -15.545 -15.545 233 2HH2 ARG 30 HH12 ARG 30 -1.235 -16.704 -16.704 234 H THR 31 HN THR 31 2.610 -8.973 -8.973 235 HA THR 31 HA THR 31 2.926 -7.627 -7.627 236 HB THR 31 HB THR 31 1.333 -5.898 -5.898 237 HG1 THR 31 HG1 THR 31 0.795 -7.723 -7.723 238 1HG2 THR 31 HG21 THR 31 4.107 -6.748 -6.748 239 2HG2 THR 31 HG23 THR 31 3.321 -5.335 -5.335 240 3HG2 THR 31 HG22 THR 31 3.637 -5.393 -5.393 241 H LEU 32 HN LEU 32 1.708 -8.286 -8.286 242 HA LEU 32 HA LEU 32 -1.003 -9.206 -9.206 243 1HB LEU 32 HB2 LEU 32 -1.138 -8.937 -8.937 244 2HB LEU 32 HB1 LEU 32 0.042 -10.076 -10.076 245 HG LEU 32 HG LEU 32 0.949 -8.761 -8.761 246 1HD1 LEU 32 HD12 LEU 32 2.275 -9.342 -9.342 247 2HD1 LEU 32 HD11 LEU 32 2.484 -7.586 -7.586 248 3HD1 LEU 32 HD13 LEU 32 3.026 -8.560 -8.560 249 1HD2 LEU 32 HD21 LEU 32 -0.493 -6.660 -6.660 250 2HD2 LEU 32 HD23 LEU 32 0.901 -6.496 -6.496 251 3HD2 LEU 32 HD22 LEU 32 1.087 -6.237 -6.237 252 H GLU 33 HN GLU 33 0.429 -6.074 -6.074 253 HA GLU 33 HA GLU 33 -2.221 -4.834 -4.834 254 1HB GLU 33 HB2 GLU 33 -0.271 -4.006 -4.006 255 2HB GLU 33 HB1 GLU 33 0.544 -3.596 -3.596 256 1HG GLU 33 HG2 GLU 33 -2.192 -2.490 -2.490 257 2HG GLU 33 HG1 GLU 33 -0.739 -1.710 -1.710 258 H GLY 34 HN GLY 34 0.524 -4.164 -4.164 259 1HA GLY 34 HA2 GLY 34 -0.721 -4.476 -4.476 260 2HA GLY 34 HA1 GLY 34 -1.060 -2.813 -2.813 261 H GLY 35 HN GLY 35 1.527 -3.008 -3.008 262 1HA GLY 35 HA2 GLY 35 3.646 -3.129 -3.129 263 2HA GLY 35 HA1 GLY 35 3.284 -1.493 -1.493 264 H ARG 36 HN ARG 36 2.878 -4.282 -4.282 265 HA ARG 36 HA ARG 36 5.268 -3.456 -3.456 266 1HB ARG 36 HB2 ARG 36 2.676 -4.570 -4.570 267 2HB ARG 36 HB1 ARG 36 4.007 -3.856 -3.856 268 1HG ARG 36 HG2 ARG 36 2.446 -2.291 -2.291 269 2HG ARG 36 HG1 ARG 36 1.958 -2.356 -2.356 270 1HD ARG 36 HD2 ARG 36 4.728 -1.758 -1.758 271 2HD ARG 36 HD1 ARG 36 4.019 -0.733 -0.733 272 HE ARG 36 HE ARG 36 2.284 -0.453 -0.453 273 1HH1 ARG 36 HH21 ARG 36 5.688 -0.192 -0.192 274 2HH1 ARG 36 HH22 ARG 36 5.900 1.046 1.046 275 1HH2 ARG 36 HH11 ARG 36 2.544 1.167 1.167 276 2HH2 ARG 36 HH12 ARG 36 4.122 1.814 1.814 277 H LYS 37 HN LYS 37 6.310 -5.258 -5.258 278 HA LYS 37 HA LYS 37 5.866 -7.886 -7.886 279 1HB LYS 37 HB2 LYS 37 8.230 -6.467 -6.467 280 2HB LYS 37 HB1 LYS 37 8.216 -8.226 -8.226 281 1HG LYS 37 HG2 LYS 37 9.342 -7.521 -7.521 282 2HG LYS 37 HG1 LYS 37 7.850 -8.377 -8.377 283 1HD LYS 37 HD2 LYS 37 6.697 -6.182 -6.182 284 2HD LYS 37 HD1 LYS 37 8.231 -5.367 -5.367 285 1HE LYS 37 HE2 LYS 37 7.837 -7.398 -7.398 286 2HE LYS 37 HE1 LYS 37 7.626 -5.664 -5.664 287 1HZ LYS 37 HZ2 LYS 37 10.065 -6.301 -6.301 288 2HZ LYS 37 HZ1 LYS 37 9.972 -7.030 -7.030 289 3HZ LYS 37 HZ3 LYS 37 9.811 -5.348 -5.348 290 HA PRO 38 HA PRO 38 4.656 -9.540 -9.540 291 1HB PRO 38 HB2 PRO 38 5.198 -12.202 -12.202 292 2HB PRO 38 HB1 PRO 38 3.813 -11.380 -11.380 293 1HG PRO 38 HG2 PRO 38 6.354 -12.272 -12.272 294 2HG PRO 38 HG1 PRO 38 4.766 -12.009 -12.009 295 1HD PRO 38 HD2 PRO 38 6.997 -10.239 -10.239 296 2HD PRO 38 HD1 PRO 38 5.332 -9.881 -9.881 297 H LEU 39 HN LEU 39 7.722 -9.129 -9.129 298 HA LEU 39 HA LEU 39 8.920 -10.546 -10.546 299 1HB LEU 39 HB2 LEU 39 9.905 -11.006 -11.006 300 2HB LEU 39 HB1 LEU 39 10.382 -9.316 -9.316 301 HG LEU 39 HG LEU 39 12.030 -9.595 -9.595 302 1HD1 LEU 39 HD13 LEU 39 10.500 -12.022 -12.022 303 2HD1 LEU 39 HD12 LEU 39 12.096 -11.575 -11.575 304 3HD1 LEU 39 HD11 LEU 39 10.733 -10.492 -10.492 305 1HD2 LEU 39 HD23 LEU 39 12.262 -11.164 -11.164 306 2HD2 LEU 39 HD22 LEU 39 13.396 -11.329 -11.329 307 3HD2 LEU 39 HD21 LEU 39 12.049 -12.456 -12.456 308 H HIS 40 HN HIS 40 7.709 -7.784 -7.784 309 HA HIS 40 HA HIS 40 9.408 -5.757 -5.757 310 1HB HIS 40 HB2 HIS 40 7.733 -5.609 -5.609 311 2HB HIS 40 HB1 HIS 40 6.507 -5.405 -5.405 312 HD1 HIS 40 HD1 HIS 40 6.920 -3.342 -3.342 313 HD2 HIS 40 HD2 HIS 40 9.175 -3.308 -3.308 314 HE1 HIS 40 HE1 HIS 40 7.803 -0.984 -0.984 315 H TYR 41 HN TYR 41 6.057 -6.863 -6.863 316 HA TYR 41 HA TYR 41 5.959 -5.561 -5.561 317 1HB TYR 41 HB2 TYR 41 4.323 -7.989 -7.989 318 2HB TYR 41 HB1 TYR 41 3.878 -6.628 -6.628 319 HD1 TYR 41 HD1 TYR 41 4.577 -7.633 -7.633 320 HD2 TYR 41 HD2 TYR 41 2.905 -4.680 -4.680 321 HE1 TYR 41 HE1 TYR 41 3.549 -6.487 -6.487 322 HE2 TYR 41 HE2 TYR 41 1.891 -3.531 -3.531 323 HH TYR 41 HH TYR 41 2.200 -3.349 -3.349 324 H ALA 42 HN ALA 42 6.790 -8.804 -8.804 325 HA ALA 42 HA ALA 42 6.965 -10.018 -10.018 326 1HB ALA 42 HB3 ALA 42 6.993 -11.140 -11.140 327 2HB ALA 42 HB2 ALA 42 8.718 -10.770 -10.770 328 3HB ALA 42 HB1 ALA 42 8.041 -11.825 -11.825 329 H ALA 43 HN ALA 43 9.505 -8.778 -8.778 330 HA ALA 43 HA ALA 43 11.666 -8.963 -8.963 331 1HB ALA 43 HB3 ALA 43 11.066 -6.841 -6.841 332 2HB ALA 43 HB2 ALA 43 12.629 -7.044 -7.044 333 3HB ALA 43 HB1 ALA 43 11.996 -8.320 -8.320 334 H ASP 44 HN ASP 44 9.828 -6.017 -6.017 335 HA ASP 44 HA ASP 44 10.730 -4.475 -4.475 336 1HB ASP 44 HB2 ASP 44 9.650 -3.461 -3.461 337 2HB ASP 44 HB1 ASP 44 8.158 -4.344 -4.344 338 H CYS 45 HN CYS 45 8.228 -6.943 -6.943 339 HA CYS 45 HA CYS 45 8.018 -6.819 -6.819 340 1HB CYS 45 HB2 CYS 45 5.378 -6.452 -6.452 341 2HB CYS 45 HB1 CYS 45 6.476 -5.104 -5.104 342 HG CYS 45 HG CYS 45 6.628 -5.113 -5.113 343 H GLY 46 HN GLY 46 8.736 -9.028 -9.028 344 1HA GLY 46 HA2 GLY 46 6.276 -10.659 -10.659 345 2HA GLY 46 HA1 GLY 46 7.869 -11.046 -11.046 346 H GLN 47 HN GLN 47 7.562 -9.932 -9.932 347 HA GLN 47 HA GLN 47 8.207 -11.069 -11.069 348 1HB GLN 47 HB2 GLN 47 6.538 -13.141 -13.141 349 2HB GLN 47 HB1 GLN 47 7.215 -13.442 -13.442 350 1HG GLN 47 HG2 GLN 47 4.899 -12.537 -12.537 351 2HG GLN 47 HG1 GLN 47 6.064 -11.474 -11.474 352 1HE2 GLN 47 HE21 GLN 47 5.340 -9.376 -9.376 353 2HE2 GLN 47 HE22 GLN 47 4.913 -8.816 -8.816 354 H LEU 48 HN LEU 48 9.596 -11.225 -11.225 355 HA LEU 48 HA LEU 48 11.588 -12.013 -12.013 356 1HB LEU 48 HB2 LEU 48 11.846 -12.713 -12.713 357 2HB LEU 48 HB1 LEU 48 13.108 -13.118 -13.118 358 HG LEU 48 HG LEU 48 13.874 -10.997 -10.997 359 1HD1 LEU 48 HD12 LEU 48 11.014 -10.121 -10.121 360 2HD1 LEU 48 HD11 LEU 48 12.383 -9.018 -9.018 361 3HD1 LEU 48 HD13 LEU 48 12.295 -10.249 -10.249 362 1HD2 LEU 48 HD23 LEU 48 11.730 -10.650 -10.650 363 2HD2 LEU 48 HD22 LEU 48 13.438 -11.005 -11.005 364 3HD2 LEU 48 HD21 LEU 48 12.948 -9.422 -9.422 365 H GLU 49 HN GLU 49 9.179 -14.021 -14.021 366 HA GLU 49 HA GLU 49 10.621 -16.502 -16.502 367 1HB GLU 49 HB2 GLU 49 8.232 -17.489 -17.489 368 2HB GLU 49 HB1 GLU 49 9.216 -16.998 -16.998 369 1HG GLU 49 HG2 GLU 49 8.075 -14.845 -14.845 370 2HG GLU 49 HG1 GLU 49 7.153 -15.240 -15.240 371 H ILE 50 HN ILE 50 8.018 -14.361 -14.361 372 HA ILE 50 HA ILE 50 7.114 -15.854 -15.854 373 HB ILE 50 HB ILE 50 7.089 -12.854 -12.854 374 1HG1 ILE 50 HG12 ILE 50 5.783 -14.957 -14.957 375 2HG1 ILE 50 HG11 ILE 50 5.839 -13.232 -13.232 376 1HG2 ILE 50 HG21 ILE 50 6.494 -13.858 -13.858 377 2HG2 ILE 50 HG23 ILE 50 5.135 -14.649 -14.649 378 3HG2 ILE 50 HG22 ILE 50 5.228 -12.888 -12.888 379 1HD1 ILE 50 HD12 ILE 50 3.980 -14.388 -14.388 380 2HD1 ILE 50 HD11 ILE 50 3.527 -14.313 -14.313 381 3HD1 ILE 50 HD13 ILE 50 3.886 -12.829 -12.829 382 H LEU 51 HN LEU 51 9.511 -13.185 -13.185 383 HA LEU 51 HA LEU 51 9.935 -13.028 -13.028 384 1HB LEU 51 HB2 LEU 51 12.507 -12.695 -12.695 385 2HB LEU 51 HB1 LEU 51 11.309 -11.423 -11.423 386 HG LEU 51 HG LEU 51 12.501 -11.411 -11.411 387 1HD1 LEU 51 HD12 LEU 51 9.700 -11.465 -11.465 388 2HD1 LEU 51 HD11 LEU 51 10.073 -12.400 -12.400 389 3HD1 LEU 51 HD13 LEU 51 10.657 -10.746 -10.746 390 1HD2 LEU 51 HD22 LEU 51 12.884 -13.966 -13.966 391 2HD2 LEU 51 HD21 LEU 51 12.717 -13.221 -13.221 392 3HD2 LEU 51 HD23 LEU 51 11.351 -14.086 -14.086 393 H GLU 52 HN GLU 52 11.774 -15.199 -15.199 394 HA GLU 52 HA GLU 52 13.272 -16.463 -16.463 395 1HB GLU 52 HB2 GLU 52 12.168 -18.035 -18.035 396 2HB GLU 52 HB1 GLU 52 13.720 -18.211 -18.211 397 1HG GLU 52 HG2 GLU 52 14.336 -15.915 -15.915 398 2HG GLU 52 HG1 GLU 52 12.864 -15.982 -15.982 399 H PHE 53 HN PHE 53 9.928 -17.030 -17.030 400 HA PHE 53 HA PHE 53 9.532 -19.541 -19.541 401 1HB PHE 53 HB2 PHE 53 7.934 -18.514 -18.514 402 2HB PHE 53 HB1 PHE 53 7.536 -17.299 -17.299 403 HD1 PHE 53 HD1 PHE 53 7.859 -21.033 -21.033 404 HD2 PHE 53 HD2 PHE 53 5.647 -17.691 -17.691 405 HE1 PHE 53 HE1 PHE 53 6.215 -22.591 -22.591 406 HE2 PHE 53 HE2 PHE 53 3.999 -19.245 -19.245 407 HZ PHE 53 HZ PHE 53 4.284 -21.697 -21.697 408 H LEU 54 HN LEU 54 7.765 -16.826 -16.826 409 HA LEU 54 HA LEU 54 7.582 -17.945 -17.945 410 1HB LEU 54 HB2 LEU 54 6.768 -15.847 -15.847 411 2HB LEU 54 HB1 LEU 54 6.256 -16.012 -16.012 412 HG LEU 54 HG LEU 54 7.020 -13.788 -13.788 413 1HD1 LEU 54 HD12 LEU 54 7.970 -15.085 -15.085 414 2HD1 LEU 54 HD11 LEU 54 9.449 -15.280 -15.280 415 3HD1 LEU 54 HD13 LEU 54 8.914 -13.674 -13.674 416 1HD2 LEU 54 HD23 LEU 54 8.376 -14.530 -14.530 417 2HD2 LEU 54 HD22 LEU 54 8.653 -13.006 -13.006 418 3HD2 LEU 54 HD21 LEU 54 9.719 -14.376 -14.376 419 H LEU 55 HN LEU 55 10.413 -16.838 -16.838 420 HA LEU 55 HA LEU 55 11.630 -15.982 -15.982 421 1HB LEU 55 HB2 LEU 55 12.111 -15.102 -15.102 422 2HB LEU 55 HB1 LEU 55 13.212 -16.472 -16.472 423 HG LEU 55 HG LEU 55 13.231 -14.344 -14.344 424 1HD1 LEU 55 HD12 LEU 55 14.894 -14.686 -14.686 425 2HD1 LEU 55 HD11 LEU 55 15.335 -13.610 -13.610 426 3HD1 LEU 55 HD13 LEU 55 13.856 -13.322 -13.322 427 1HD2 LEU 55 HD23 LEU 55 15.000 -16.701 -16.701 428 2HD2 LEU 55 HD22 LEU 55 14.237 -16.323 -16.323 429 3HD2 LEU 55 HD21 LEU 55 15.588 -15.350 -15.350 430 H LEU 56 HN LEU 56 11.832 -18.690 -18.690 431 HA LEU 56 HA LEU 56 13.875 -20.064 -20.064 432 1HB LEU 56 HB2 LEU 56 13.538 -21.926 -21.926 433 2HB LEU 56 HB1 LEU 56 13.277 -20.494 -20.494 434 HG LEU 56 HG LEU 56 10.735 -20.942 -20.942 435 1HD1 LEU 56 HD11 LEU 56 12.115 -23.632 -23.632 436 2HD1 LEU 56 HD13 LEU 56 10.366 -23.419 -23.419 437 3HD1 LEU 56 HD12 LEU 56 11.252 -23.006 -23.006 438 1HD2 LEU 56 HD21 LEU 56 11.542 -20.611 -20.611 439 2HD2 LEU 56 HD23 LEU 56 10.319 -21.874 -21.874 440 3HD2 LEU 56 HD22 LEU 56 12.021 -22.305 -22.305 441 H LYS 57 HN LYS 57 10.383 -20.011 -20.011 442 HA LYS 57 HA LYS 57 10.248 -22.298 -22.298 443 1HB LYS 57 HB2 LYS 57 8.406 -20.276 -20.276 444 2HB LYS 57 HB1 LYS 57 8.266 -20.393 -20.393 445 1HG LYS 57 HG2 LYS 57 6.747 -22.020 -22.020 446 2HG LYS 57 HG1 LYS 57 8.192 -22.974 -22.974 447 1HD LYS 57 HD2 LYS 57 8.806 -22.700 -22.700 448 2HD LYS 57 HD1 LYS 57 7.219 -21.972 -21.972 449 1HE LYS 57 HE2 LYS 57 6.307 -24.127 -24.127 450 2HE LYS 57 HE1 LYS 57 7.891 -24.806 -24.806 451 1HZ LYS 57 HZ3 LYS 57 7.143 -23.590 -23.590 452 2HZ LYS 57 HZ2 LYS 57 5.684 -24.248 -24.248 453 3HZ LYS 57 HZ1 LYS 57 7.033 -25.251 -25.251 454 H GLY 58 HN GLY 58 9.502 -19.035 -19.035 455 1HA GLY 58 HA2 GLY 58 11.224 -19.483 -19.483 456 2HA GLY 58 HA1 GLY 58 10.032 -18.190 -18.190 457 H ALA 59 HN ALA 59 11.014 -16.198 -16.198 458 HA ALA 59 HA ALA 59 12.674 -15.564 -15.564 459 1HB ALA 59 HB1 ALA 59 14.210 -16.587 -16.587 460 2HB ALA 59 HB3 ALA 59 14.888 -15.272 -15.272 461 3HB ALA 59 HB2 ALA 59 14.514 -16.814 -16.814 462 H ASP 60 HN ASP 60 11.144 -13.813 -13.813 463 HA ASP 60 HA ASP 60 11.491 -12.011 -12.011 464 1HB ASP 60 HB2 ASP 60 9.329 -11.978 -11.978 465 2HB ASP 60 HB1 ASP 60 10.038 -11.808 -11.808 466 H ILE 61 HN ILE 61 13.378 -12.905 -12.905 467 HA ILE 61 HA ILE 61 14.399 -10.753 -10.753 468 HB ILE 61 HB ILE 61 15.101 -13.201 -13.201 469 1HG1 ILE 61 HG12 ILE 61 17.129 -10.964 -10.964 470 2HG1 ILE 61 HG11 ILE 61 16.354 -11.720 -11.720 471 1HG2 ILE 61 HG23 ILE 61 15.550 -13.052 -13.052 472 2HG2 ILE 61 HG22 ILE 61 17.123 -12.426 -12.426 473 3HG2 ILE 61 HG21 ILE 61 16.619 -14.036 -14.036 474 1HD1 ILE 61 HD13 ILE 61 17.528 -13.896 -13.896 475 2HD1 ILE 61 HD12 ILE 61 18.679 -12.649 -12.649 476 3HD1 ILE 61 HD11 ILE 61 18.301 -12.899 -12.899 477 H ASN 62 HN ASN 62 14.645 -11.368 -11.368 478 HA ASN 62 HA ASN 62 16.259 -8.891 -8.891 479 1HB ASN 62 HB2 ASN 62 17.509 -10.102 -10.102 480 2HB ASN 62 HB1 ASN 62 17.881 -10.635 -10.635 481 1HD2 ASN 62 HD21 ASN 62 14.787 -11.718 -11.718 482 2HD2 ASN 62 HD22 ASN 62 15.139 -13.277 -13.277 483 H ALA 63 HN ALA 63 13.887 -11.080 -11.080 484 HA ALA 63 HA ALA 63 13.276 -10.649 -10.649 485 1HB ALA 63 HB2 ALA 63 11.413 -10.233 -10.233 486 2HB ALA 63 HB1 ALA 63 10.837 -10.183 -10.183 487 3HB ALA 63 HB3 ALA 63 11.594 -11.645 -11.645 488 HA PRO 64 HA PRO 64 11.369 -5.990 -5.990 489 1HB PRO 64 HB2 PRO 64 14.138 -5.467 -5.467 490 2HB PRO 64 HB1 PRO 64 12.606 -4.701 -4.701 491 1HG PRO 64 HG2 PRO 64 13.853 -6.841 -6.841 492 2HG PRO 64 HG1 PRO 64 12.173 -6.318 -6.318 493 1HD PRO 64 HD2 PRO 64 13.008 -8.812 -8.812 494 2HD PRO 64 HD1 PRO 64 11.374 -8.141 -8.141 495 H ASP 65 HN ASP 65 11.450 -4.648 -4.648 496 HA ASP 65 HA ASP 65 13.837 -4.474 -4.474 497 1HB ASP 65 HB2 ASP 65 11.053 -5.332 -5.332 498 2HB ASP 65 HB1 ASP 65 12.176 -4.628 -4.628 499 H LYS 66 HN LYS 66 10.472 -3.326 -3.326 500 HA LYS 66 HA LYS 66 11.172 -0.659 -0.659 501 1HB LYS 66 HB2 LYS 66 8.963 -1.923 -1.923 502 2HB LYS 66 HB1 LYS 66 8.563 -1.484 -1.484 503 1HG LYS 66 HG2 LYS 66 7.708 0.341 0.341 504 2HG LYS 66 HG1 LYS 66 9.340 0.921 0.921 505 1HD LYS 66 HD2 LYS 66 9.996 0.325 0.325 506 2HD LYS 66 HD1 LYS 66 8.462 -0.499 -0.499 507 1HE LYS 66 HE2 LYS 66 8.341 1.674 1.674 508 2HE LYS 66 HE1 LYS 66 7.295 1.700 1.700 509 1HZ LYS 66 HZ2 LYS 66 9.078 2.750 2.750 510 2HZ LYS 66 HZ1 LYS 66 10.074 2.738 2.738 511 3HZ LYS 66 HZ3 LYS 66 8.664 3.680 3.680 512 H HIS 67 HN HIS 67 10.797 -2.355 -2.355 513 HA HIS 67 HA HIS 67 10.511 0.002 0.002 514 1HB HIS 67 HB2 HIS 67 11.387 -2.759 -2.759 515 2HB HIS 67 HB1 HIS 67 10.499 -1.565 -1.565 516 HD1 HIS 67 HD1 HIS 67 7.994 -1.728 -1.728 517 HD2 HIS 67 HD2 HIS 67 9.773 -3.806 -3.806 518 HE1 HIS 67 HE1 HIS 67 6.124 -2.931 -2.931 519 H HIS 68 HN HIS 68 12.987 -1.295 -1.295 520 HA HIS 68 HA HIS 68 15.337 -1.288 -1.288 521 1HB HIS 68 HB2 HIS 68 14.632 1.455 1.455 522 2HB HIS 68 HB1 HIS 68 16.170 0.982 0.982 523 HD1 HIS 68 HD1 HIS 68 12.542 1.549 1.549 524 HD2 HIS 68 HD2 HIS 68 16.168 0.856 0.856 525 HE1 HIS 68 HE1 HIS 68 12.115 1.911 1.911 526 H ILE 69 HN ILE 69 13.944 -2.309 -2.309 527 HA ILE 69 HA ILE 69 16.322 -2.069 -2.069 528 HB ILE 69 HB ILE 69 14.200 -0.311 -0.311 529 1HG1 ILE 69 HG12 ILE 69 16.593 0.009 0.009 530 2HG1 ILE 69 HG11 ILE 69 15.595 0.300 0.300 531 1HG2 ILE 69 HG23 ILE 69 12.973 -2.189 -2.189 532 2HG2 ILE 69 HG22 ILE 69 14.359 -2.488 -2.488 533 3HG2 ILE 69 HG21 ILE 69 13.462 -0.982 -0.982 534 1HD1 ILE 69 HD11 ILE 69 16.066 -2.277 -2.277 535 2HD1 ILE 69 HD13 ILE 69 17.474 -1.964 -1.964 536 3HD1 ILE 69 HD12 ILE 69 17.228 -1.059 -1.059 537 H THR 70 HN THR 70 16.480 -3.544 -3.544 538 HA THR 70 HA THR 70 14.661 -5.874 -5.874 539 HB THR 70 HB THR 70 16.750 -6.680 -6.680 540 HG1 THR 70 HG1 THR 70 16.356 -6.854 -6.854 541 1HG2 THR 70 HG22 THR 70 17.814 -4.560 -4.560 542 2HG2 THR 70 HG21 THR 70 18.864 -5.779 -5.779 543 3HG2 THR 70 HG23 THR 70 17.978 -4.650 -4.650 544 HA PRO 71 HA PRO 71 13.175 -5.169 -5.169 545 1HB PRO 71 HB2 PRO 71 13.440 -7.989 -7.989 546 2HB PRO 71 HB1 PRO 71 11.978 -7.034 -7.034 547 1HG PRO 71 HG2 PRO 71 12.834 -8.996 -8.996 548 2HG PRO 71 HG1 PRO 71 11.905 -7.582 -7.582 549 1HD PRO 71 HD2 PRO 71 14.830 -8.120 -8.120 550 2HD PRO 71 HD1 PRO 71 13.737 -7.252 -7.252 551 H LEU 72 HN LEU 72 16.419 -6.616 -6.616 552 HA LEU 72 HA LEU 72 16.742 -6.844 -6.844 553 1HB LEU 72 HB2 LEU 72 19.125 -5.733 -5.733 554 2HB LEU 72 HB1 LEU 72 18.969 -7.157 -7.157 555 HG LEU 72 HG LEU 72 19.505 -8.109 -8.109 556 1HD1 LEU 72 HD13 LEU 72 16.878 -8.499 -8.499 557 2HD1 LEU 72 HD12 LEU 72 16.728 -8.164 -8.164 558 3HD1 LEU 72 HD11 LEU 72 17.758 -9.472 -9.472 559 1HD2 LEU 72 HD22 LEU 72 19.546 -5.998 -5.998 560 2HD2 LEU 72 HD21 LEU 72 18.760 -7.266 -7.266 561 3HD2 LEU 72 HD23 LEU 72 17.790 -6.029 -6.029 562 H LEU 73 HN LEU 73 17.039 -4.026 -4.026 563 HA LEU 73 HA LEU 73 17.853 -2.271 -2.271 564 1HB LEU 73 HB2 LEU 73 16.524 -1.574 -1.574 565 2HB LEU 73 HB1 LEU 73 17.321 -0.435 -0.435 566 HG LEU 73 HG LEU 73 19.357 -2.102 -2.102 567 1HD1 LEU 73 HD13 LEU 73 17.479 -3.142 -3.142 568 2HD1 LEU 73 HD12 LEU 73 18.952 -2.612 -2.612 569 3HD1 LEU 73 HD11 LEU 73 19.031 -3.799 -3.799 570 1HD2 LEU 73 HD22 LEU 73 18.419 0.031 0.031 571 2HD2 LEU 73 HD21 LEU 73 19.731 0.083 0.083 572 3HD2 LEU 73 HD23 LEU 73 19.922 -0.827 -0.827 573 H SER 74 HN SER 74 14.811 -3.525 -3.525 574 HA SER 74 HA SER 74 13.083 -1.555 -1.555 575 1HB SER 74 HB2 SER 74 12.335 -3.481 -3.481 576 2HB SER 74 HB1 SER 74 12.645 -4.557 -4.557 577 HG SER 74 HG SER 74 10.484 -3.954 -3.954 578 H ALA 75 HN ALA 75 14.537 -4.433 -4.433 579 HA ALA 75 HA ALA 75 13.453 -3.911 -3.911 580 1HB ALA 75 HB2 ALA 75 14.254 -6.153 -6.153 581 2HB ALA 75 HB1 ALA 75 15.894 -5.572 -5.572 582 3HB ALA 75 HB3 ALA 75 14.782 -5.757 -5.757 583 H VAL 76 HN VAL 76 16.466 -3.092 -3.092 584 HA VAL 76 HA VAL 76 18.147 -2.343 -2.343 585 HB VAL 76 HB VAL 76 17.564 -1.034 -1.034 586 1HG1 VAL 76 HG11 VAL 76 18.681 0.447 0.447 587 2HG1 VAL 76 HG13 VAL 76 20.109 -0.351 -0.351 588 3HG1 VAL 76 HG12 VAL 76 19.091 0.630 0.630 589 1HG2 VAL 76 HG22 VAL 76 18.607 -3.283 -3.283 590 2HG2 VAL 76 HG21 VAL 76 19.720 -2.079 -2.079 591 3HG2 VAL 76 HG23 VAL 76 19.901 -2.651 -2.651 592 H TYR 77 HN TYR 77 15.905 0.066 0.066 593 HA TYR 77 HA TYR 77 16.128 1.777 1.777 594 1HB TYR 77 HB2 TYR 77 13.883 2.148 2.148 595 2HB TYR 77 HB1 TYR 77 14.996 3.342 3.342 596 HD1 TYR 77 HD2 TYR 77 17.326 3.519 3.519 597 HD2 TYR 77 HD1 TYR 77 14.360 1.003 1.003 598 HE1 TYR 77 HE2 TYR 77 18.701 3.382 3.382 599 HE2 TYR 77 HE1 TYR 77 15.736 0.869 0.869 600 HH TYR 77 HH TYR 77 18.348 1.131 1.131 601 H GLU 78 HN GLU 78 15.248 -0.806 -0.806 602 HA GLU 78 HA GLU 78 12.450 -0.198 -0.198 603 1HB GLU 78 HB2 GLU 78 12.777 -2.079 -2.079 604 2HB GLU 78 HB1 GLU 78 13.426 -3.016 -3.016 605 1HG GLU 78 HG2 GLU 78 11.075 -3.505 -3.505 606 2HG GLU 78 HG1 GLU 78 11.305 -2.439 -2.439 607 H GLY 79 HN GLY 79 15.642 -1.233 -1.233 608 1HA GLY 79 HA2 GLY 79 16.544 -1.388 -1.388 609 2HA GLY 79 HA1 GLY 79 14.911 -1.183 -1.183 610 H HIS 80 HN HIS 80 14.425 -3.375 -3.375 611 HA HIS 80 HA HIS 80 14.369 -5.605 -5.605 612 1HB HIS 80 HB2 HIS 80 13.477 -5.114 -5.114 613 2HB HIS 80 HB1 HIS 80 13.751 -6.784 -6.784 614 HD1 HIS 80 HD1 HIS 80 11.423 -7.665 -7.665 615 HD2 HIS 80 HD2 HIS 80 12.026 -3.940 -3.940 616 HE1 HIS 80 HE1 HIS 80 9.381 -7.214 -7.214 617 H VAL 81 HN VAL 81 15.898 -5.132 -5.132 618 HA VAL 81 HA VAL 81 17.693 -6.371 -6.371 619 HB VAL 81 HB VAL 81 19.784 -5.764 -5.764 620 1HG1 VAL 81 HG12 VAL 81 18.907 -4.706 -4.706 621 2HG1 VAL 81 HG11 VAL 81 18.113 -3.519 -3.519 622 3HG1 VAL 81 HG13 VAL 81 19.870 -3.666 -3.666 623 1HG2 VAL 81 HG21 VAL 81 18.370 -5.240 -5.240 624 2HG2 VAL 81 HG23 VAL 81 19.330 -3.859 -3.859 625 3HG2 VAL 81 HG22 VAL 81 17.613 -3.936 -3.936 626 H SER 82 HN SER 82 16.080 -7.857 -7.857 627 HA SER 82 HA SER 82 18.106 -9.783 -9.783 628 1HB SER 82 HB2 SER 82 16.351 -9.649 -9.649 629 2HB SER 82 HB1 SER 82 15.139 -9.384 -9.384 630 HG SER 82 HG SER 82 16.016 -11.696 -11.696 631 H CYS 83 HN CYS 83 15.911 -9.125 -9.125 632 HA CYS 83 HA CYS 83 15.870 -11.802 -11.802 633 1HB CYS 83 HB2 CYS 83 14.689 -10.637 -10.637 634 2HB CYS 83 HB1 CYS 83 13.965 -10.277 -10.277 635 HG CYS 83 HG CYS 83 15.222 -7.962 -7.962 636 H VAL 84 HN VAL 84 17.357 -8.638 -8.638 637 HA VAL 84 HA VAL 84 18.748 -9.266 -9.266 638 HB VAL 84 HB VAL 84 20.567 -7.763 -7.763 639 1HG1 VAL 84 HG11 VAL 84 18.437 -6.850 -6.850 640 2HG1 VAL 84 HG13 VAL 84 17.806 -6.731 -6.731 641 3HG1 VAL 84 HG12 VAL 84 19.205 -5.768 -5.768 642 1HG2 VAL 84 HG21 VAL 84 19.125 -8.252 -8.252 643 2HG2 VAL 84 HG23 VAL 84 20.853 -8.204 -8.204 644 3HG2 VAL 84 HG22 VAL 84 19.934 -6.704 -6.704 645 H LYS 85 HN LYS 85 19.549 -10.107 -10.107 646 HA LYS 85 HA LYS 85 22.083 -11.230 -11.230 647 1HB LYS 85 HB2 LYS 85 19.917 -12.347 -12.347 648 2HB LYS 85 HB1 LYS 85 21.644 -12.455 -12.455 649 1HG LYS 85 HG2 LYS 85 20.078 -9.878 -9.878 650 2HG LYS 85 HG1 LYS 85 20.602 -10.703 -10.703 651 1HD LYS 85 HD2 LYS 85 22.361 -9.460 -9.460 652 2HD LYS 85 HD1 LYS 85 22.190 -8.946 -8.946 653 1HE LYS 85 HE2 LYS 85 22.980 -11.423 -11.423 654 2HE LYS 85 HE1 LYS 85 23.661 -11.309 -11.309 655 1HZ LYS 85 HZ3 LYS 85 24.394 -8.967 -8.967 656 2HZ LYS 85 HZ2 LYS 85 24.442 -9.965 -9.965 657 3HZ LYS 85 HZ1 LYS 85 25.365 -10.358 -10.358 658 H LEU 86 HN LEU 86 19.269 -13.411 -13.411 659 HA LEU 86 HA LEU 86 20.582 -15.566 -15.566 660 1HB LEU 86 HB2 LEU 86 18.780 -16.825 -16.825 661 2HB LEU 86 HB1 LEU 86 18.446 -15.448 -15.448 662 HG LEU 86 HG LEU 86 16.418 -16.009 -16.009 663 1HD1 LEU 86 HD12 LEU 86 17.356 -13.515 -13.515 664 2HD1 LEU 86 HD11 LEU 86 17.179 -13.777 -13.777 665 3HD1 LEU 86 HD13 LEU 86 15.788 -13.951 -13.951 666 1HD2 LEU 86 HD21 LEU 86 17.979 -17.000 -17.000 667 2HD2 LEU 86 HD23 LEU 86 16.225 -16.874 -16.874 668 3HD2 LEU 86 HD22 LEU 86 17.198 -15.598 -15.598 669 H LEU 87 HN LEU 87 19.468 -12.770 -12.770 670 HA LEU 87 HA LEU 87 18.339 -13.838 -13.838 671 1HB LEU 87 HB2 LEU 87 18.754 -11.256 -11.256 672 2HB LEU 87 HB1 LEU 87 19.365 -11.221 -11.221 673 HG LEU 87 HG LEU 87 16.649 -12.326 -12.326 674 1HD1 LEU 87 HD13 LEU 87 17.542 -9.509 -9.509 675 2HD1 LEU 87 HD12 LEU 87 15.918 -10.040 -10.040 676 3HD1 LEU 87 HD11 LEU 87 16.432 -10.074 -10.074 677 1HD2 LEU 87 HD22 LEU 87 17.976 -11.433 -11.433 678 2HD2 LEU 87 HD21 LEU 87 17.448 -13.061 -13.061 679 3HD2 LEU 87 HD23 LEU 87 16.254 -11.796 -11.796 680 H LEU 88 HN LEU 88 21.372 -11.870 -11.870 681 HA LEU 88 HA LEU 88 22.267 -12.753 -12.753 682 1HB LEU 88 HB2 LEU 88 24.415 -11.860 -11.860 683 2HB LEU 88 HB1 LEU 88 23.261 -10.800 -10.800 684 HG LEU 88 HG LEU 88 25.051 -11.099 -11.099 685 1HD1 LEU 88 HD11 LEU 88 22.712 -11.364 -11.364 686 2HD1 LEU 88 HD13 LEU 88 22.971 -13.107 -13.107 687 3HD1 LEU 88 HD12 LEU 88 23.973 -12.083 -12.083 688 1HD2 LEU 88 HD22 LEU 88 25.559 -13.466 -13.466 689 2HD2 LEU 88 HD21 LEU 88 26.318 -12.974 -12.974 690 3HD2 LEU 88 HD23 LEU 88 24.915 -14.042 -14.042 691 H SER 89 HN SER 89 22.097 -14.535 -14.535 692 HA SER 89 HA SER 89 24.251 -16.376 -16.376 693 1HB SER 89 HB2 SER 89 21.667 -16.402 -16.402 694 2HB SER 89 HB1 SER 89 22.288 -17.984 -17.984 695 HG SER 89 HG SER 89 24.203 -17.496 -17.496 696 H LYS 90 HN LYS 90 21.442 -15.589 -15.589 697 HA LYS 90 HA LYS 90 21.337 -18.105 -18.105 698 1HB LYS 90 HB2 LYS 90 19.347 -16.604 -16.604 699 2HB LYS 90 HB1 LYS 90 19.453 -15.841 -15.841 700 1HG LYS 90 HG2 LYS 90 19.216 -18.818 -18.818 701 2HG LYS 90 HG1 LYS 90 17.802 -17.785 -17.785 702 1HD LYS 90 HD2 LYS 90 19.997 -18.025 -18.025 703 2HD LYS 90 HD1 LYS 90 18.384 -18.708 -18.708 704 1HE LYS 90 HE2 LYS 90 17.977 -16.745 -16.745 705 2HE LYS 90 HE1 LYS 90 17.745 -16.143 -16.143 706 1HZ LYS 90 HZ1 LYS 90 20.486 -16.176 -16.176 707 2HZ LYS 90 HZ3 LYS 90 19.476 -15.097 -15.097 708 3HZ LYS 90 HZ2 LYS 90 19.637 -14.978 -14.978 709 H GLY 91 HN GLY 91 22.181 -14.740 -14.740 710 1HA GLY 91 HA2 GLY 91 23.955 -14.437 -14.437 711 2HA GLY 91 HA1 GLY 91 22.553 -14.761 -14.761 712 H ALA 92 HN ALA 92 21.037 -13.136 -13.136 713 HA ALA 92 HA ALA 92 20.382 -10.873 -10.873 714 1HB ALA 92 HB3 ALA 92 20.212 -11.784 -11.784 715 2HB ALA 92 HB2 ALA 92 20.498 -10.047 -10.047 716 3HB ALA 92 HB1 ALA 92 19.106 -10.736 -10.736 717 H ASP 93 HN ASP 93 23.504 -11.483 -11.483 718 HA ASP 93 HA ASP 93 25.392 -10.090 -10.090 719 1HB ASP 93 HB2 ASP 93 23.577 -8.578 -8.578 720 2HB ASP 93 HB1 ASP 93 25.210 -8.058 -8.058 721 H LYS 94 HN LYS 94 24.294 -7.018 -7.018 722 HA LYS 94 HA LYS 94 22.914 -6.533 -6.533 723 1HB LYS 94 HB2 LYS 94 24.609 -5.388 -5.388 724 2HB LYS 94 HB1 LYS 94 25.228 -6.982 -6.982 725 1HG LYS 94 HG2 LYS 94 25.840 -4.615 -4.615 726 2HG LYS 94 HG1 LYS 94 26.783 -4.917 -4.917 727 1HD LYS 94 HD2 LYS 94 27.968 -6.523 -6.523 728 2HD LYS 94 HD1 LYS 94 26.488 -7.395 -7.395 729 1HE LYS 94 HE2 LYS 94 26.178 -6.083 -6.083 730 2HE LYS 94 HE1 LYS 94 27.517 -5.021 -5.021 731 1HZ LYS 94 HZ3 LYS 94 27.777 -7.938 -7.938 732 2HZ LYS 94 HZ2 LYS 94 28.107 -6.741 -6.741 733 3HZ LYS 94 HZ1 LYS 94 29.039 -6.834 -6.834 734 H THR 95 HN THR 95 24.619 -5.399 -5.399 735 HA THR 95 HA THR 95 22.838 -3.010 -3.010 736 HB THR 95 HB THR 95 25.705 -2.847 -2.847 737 HG1 THR 95 HG1 THR 95 26.366 -2.396 -2.396 738 1HG2 THR 95 HG23 THR 95 23.604 -0.832 -0.832 739 2HG2 THR 95 HG22 THR 95 25.274 -0.414 -0.414 740 3HG2 THR 95 HG21 THR 95 24.232 -1.104 -1.104 741 H VAL 96 HN VAL 96 22.602 -5.554 -5.554 742 HA VAL 96 HA VAL 96 23.658 -5.421 -5.421 743 HB VAL 96 HB VAL 96 22.120 -7.287 -7.287 744 1HG1 VAL 96 HG13 VAL 96 20.365 -6.858 -6.858 745 2HG1 VAL 96 HG12 VAL 96 21.523 -7.207 -7.207 746 3HG1 VAL 96 HG11 VAL 96 21.037 -8.477 -8.477 747 1HG2 VAL 96 HG22 VAL 96 24.461 -7.603 -7.603 748 2HG2 VAL 96 HG21 VAL 96 23.420 -8.923 -8.923 749 3HG2 VAL 96 HG23 VAL 96 23.903 -7.665 -7.665 750 H LYS 97 HN LYS 97 21.277 -3.592 -3.592 751 HA LYS 97 HA LYS 97 20.306 -2.773 -2.773 752 1HB LYS 97 HB2 LYS 97 18.910 -4.880 -4.880 753 2HB LYS 97 HB1 LYS 97 17.912 -3.463 -3.463 754 1HG LYS 97 HG2 LYS 97 17.865 -2.871 -2.871 755 2HG LYS 97 HG1 LYS 97 19.038 -4.126 -4.126 756 1HD LYS 97 HD2 LYS 97 16.415 -4.823 -4.823 757 2HD LYS 97 HD1 LYS 97 16.524 -4.616 -4.616 758 1HE LYS 97 HE2 LYS 97 18.516 -6.261 -6.261 759 2HE LYS 97 HE1 LYS 97 17.926 -6.653 -6.653 760 1HZ LYS 97 HZ3 LYS 97 15.673 -6.772 -6.772 761 2HZ LYS 97 HZ2 LYS 97 16.783 -7.259 -7.259 762 3HZ LYS 97 HZ1 LYS 97 16.676 -8.112 -8.112 763 H GLY 98 HN GLY 98 21.011 -1.968 -1.968 764 1HA GLY 98 HA2 GLY 98 18.965 0.031 0.031 765 2HA GLY 98 HA1 GLY 98 20.550 -0.032 -0.032 766 HA PRO 99 HA PRO 99 20.393 3.456 3.456 767 1HB PRO 99 HB2 PRO 99 21.561 5.214 5.214 768 2HB PRO 99 HB1 PRO 99 19.908 5.274 5.274 769 1HG PRO 99 HG2 PRO 99 20.845 4.360 4.360 770 2HG PRO 99 HG1 PRO 99 19.192 4.695 4.695 771 1HD PRO 99 HD2 PRO 99 20.313 2.129 2.129 772 2HD PRO 99 HD1 PRO 99 18.771 2.461 2.461 773 H ASP 100 HN ASP 100 22.806 3.959 3.959 774 HA ASP 100 HA ASP 100 24.880 2.848 2.848 775 1HB ASP 100 HB2 ASP 100 24.789 5.419 5.419 776 2HB ASP 100 HB1 ASP 100 25.328 5.205 5.205 777 H GLY 101 HN GLY 101 26.793 3.645 3.645 778 1HA GLY 101 HA2 GLY 101 26.884 1.164 1.164 779 2HA GLY 101 HA1 GLY 101 27.764 2.611 2.611 780 H LEU 102 HN LEU 102 24.554 3.454 3.454 781 HA LEU 102 HA LEU 102 24.149 4.046 4.046 782 1HB LEU 102 HB2 LEU 102 22.593 4.653 4.653 783 2HB LEU 102 HB1 LEU 102 21.975 3.007 3.007 784 HG LEU 102 HG LEU 102 21.834 5.022 5.022 785 1HD1 LEU 102 HD11 LEU 102 19.718 3.800 3.800 786 2HD1 LEU 102 HD13 LEU 102 19.395 4.826 4.826 787 3HD1 LEU 102 HD12 LEU 102 20.246 5.485 5.485 788 1HD2 LEU 102 HD21 LEU 102 21.114 2.098 2.098 789 2HD2 LEU 102 HD23 LEU 102 21.958 2.962 2.962 790 3HD2 LEU 102 HD22 LEU 102 20.226 3.176 3.176 791 H THR 103 HN THR 103 22.639 1.192 1.192 792 HA THR 103 HA THR 103 21.689 -0.575 -0.575 793 HB THR 103 HB THR 103 23.490 -1.699 -1.699 794 HG1 THR 103 HG1 THR 103 24.445 -2.877 -2.877 795 1HG2 THR 103 HG23 THR 103 25.204 0.052 0.052 796 2HG2 THR 103 HG22 THR 103 25.853 -1.420 -1.420 797 3HG2 THR 103 HG21 THR 103 25.241 -0.128 -0.128 798 H ALA 104 HN ALA 104 24.357 -0.990 -0.990 799 HA ALA 104 HA ALA 104 22.791 -0.104 -0.104 800 1HB ALA 104 HB1 ALA 104 25.288 -1.750 -1.750 801 2HB ALA 104 HB3 ALA 104 24.797 -1.179 -1.179 802 3HB ALA 104 HB2 ALA 104 23.737 -2.248 -2.248 803 H LEU 105 HN LEU 105 25.648 0.856 0.856 804 HA LEU 105 HA LEU 105 27.028 2.377 2.377 805 1HB LEU 105 HB2 LEU 105 26.699 3.200 3.200 806 2HB LEU 105 HB1 LEU 105 28.069 3.485 3.485 807 HG LEU 105 HG LEU 105 27.141 0.806 0.806 808 1HD1 LEU 105 HD11 LEU 105 28.398 2.414 2.414 809 2HD1 LEU 105 HD13 LEU 105 29.767 2.251 2.251 810 3HD1 LEU 105 HD12 LEU 105 29.156 0.840 0.840 811 1HD2 LEU 105 HD22 LEU 105 29.238 1.593 1.593 812 2HD2 LEU 105 HD21 LEU 105 27.983 0.360 0.360 813 3HD2 LEU 105 HD23 LEU 105 29.366 0.093 0.093 814 H GLU 106 HN GLU 106 25.177 4.071 4.071 815 HA GLU 106 HA GLU 106 24.943 6.371 6.371 816 1HB GLU 106 HB2 GLU 106 23.509 5.942 5.942 817 2HB GLU 106 HB1 GLU 106 23.975 7.460 7.460 818 1HG GLU 106 HG2 GLU 106 25.985 5.362 5.362 819 2HG GLU 106 HG1 GLU 106 25.472 6.672 6.672 820 H ALA 107 HN ALA 107 23.410 3.613 3.613 821 HA ALA 107 HA ALA 107 20.638 4.519 4.519 822 1HB ALA 107 HB3 ALA 107 22.073 2.002 2.002 823 2HB ALA 107 HB2 ALA 107 20.460 2.282 2.282 824 3HB ALA 107 HB1 ALA 107 20.707 2.230 2.230 825 H THR 108 HN THR 108 23.034 3.681 3.681 826 HA THR 108 HA THR 108 21.673 5.643 5.643 827 HB THR 108 HB THR 108 20.373 3.563 3.563 828 HG1 THR 108 HG1 THR 108 20.705 4.920 4.920 829 1HG2 THR 108 HG23 THR 108 22.522 2.187 2.187 830 2HG2 THR 108 HG22 THR 108 22.830 2.306 2.306 831 3HG2 THR 108 HG21 THR 108 21.359 1.525 1.525 832 H ASP 109 HN ASP 109 22.689 4.259 4.259 833 HA ASP 109 HA ASP 109 25.616 4.420 4.420 834 1HB ASP 109 HB2 ASP 109 25.062 6.688 6.688 835 2HB ASP 109 HB1 ASP 109 23.969 6.136 6.136 836 H ASN 110 HN ASN 110 22.862 2.918 2.918 837 HA ASN 110 HA ASN 110 24.129 1.961 1.961 838 1HB ASN 110 HB2 ASN 110 22.232 0.477 0.477 839 2HB ASN 110 HB1 ASN 110 21.619 2.044 2.044 840 1HD2 ASN 110 HD21 ASN 110 22.876 1.259 1.259 841 2HD2 ASN 110 HD22 ASN 110 21.670 0.301 0.301 842 H GLN 111 HN GLN 111 25.322 0.125 0.125 843 HA GLN 111 HA GLN 111 26.640 -0.854 -0.854 844 1HB GLN 111 HB2 GLN 111 27.954 -0.701 -0.701 845 2HB GLN 111 HB1 GLN 111 26.741 -1.436 -1.436 846 1HG GLN 111 HG2 GLN 111 27.208 -3.617 -3.617 847 2HG GLN 111 HG1 GLN 111 28.155 -2.970 -2.970 848 1HE2 GLN 111 HE21 GLN 111 28.129 -2.670 -2.670 849 2HE2 GLN 111 HE22 GLN 111 29.816 -2.766 -2.766 850 H ALA 112 HN ALA 112 23.585 -1.727 -1.727 851 HA ALA 112 HA ALA 112 23.912 -4.627 -4.627 852 1HB ALA 112 HB1 ALA 112 21.407 -2.918 -2.918 853 2HB ALA 112 HB3 ALA 112 21.437 -4.682 -4.682 854 3HB ALA 112 HB2 ALA 112 22.065 -3.796 -3.796 855 H ILE 113 HN ILE 113 22.693 -1.858 -1.858 856 HA ILE 113 HA ILE 113 22.088 -3.168 -3.168 857 HB ILE 113 HB ILE 113 22.525 -0.353 -0.353 858 1HG1 ILE 113 HG12 ILE 113 20.277 -0.118 -0.118 859 2HG1 ILE 113 HG11 ILE 113 20.257 -1.873 -1.873 860 1HG2 ILE 113 HG21 ILE 113 22.596 -1.264 -1.264 861 2HG2 ILE 113 HG23 ILE 113 22.025 0.348 0.348 862 3HG2 ILE 113 HG22 ILE 113 23.666 -0.134 -0.134 863 1HD1 ILE 113 HD11 ILE 113 20.868 -1.461 -1.461 864 2HD1 ILE 113 HD13 ILE 113 19.916 -0.014 -0.014 865 3HD1 ILE 113 HD12 ILE 113 19.214 -1.608 -1.608 866 H LYS 114 HN LYS 114 24.680 -1.077 -1.077 867 HA LYS 114 HA LYS 114 26.311 -1.208 -1.208 868 1HB LYS 114 HB2 LYS 114 27.500 -1.094 -1.094 869 2HB LYS 114 HB1 LYS 114 27.989 -0.218 -0.218 870 1HG LYS 114 HG2 LYS 114 25.218 0.401 0.401 871 2HG LYS 114 HG1 LYS 114 26.336 0.772 0.772 872 1HD LYS 114 HD2 LYS 114 26.042 2.706 2.706 873 2HD LYS 114 HD1 LYS 114 27.692 2.105 2.105 874 1HE LYS 114 HE2 LYS 114 25.822 0.881 0.881 875 2HE LYS 114 HE1 LYS 114 25.991 2.622 2.622 876 1HZ LYS 114 HZ3 LYS 114 28.383 0.957 0.957 877 2HZ LYS 114 HZ2 LYS 114 27.651 1.052 1.052 878 3HZ LYS 114 HZ1 LYS 114 28.228 2.459 2.459 879 H ALA 115 HN ALA 115 25.408 -3.650 -3.650 880 HA ALA 115 HA ALA 115 27.765 -5.309 -5.309 881 1HB ALA 115 HB3 ALA 115 25.715 -5.527 -5.527 882 2HB ALA 115 HB2 ALA 115 24.974 -6.419 -6.419 883 3HB ALA 115 HB1 ALA 115 26.474 -6.998 -6.998 884 H LEU 116 HN LEU 116 24.849 -4.948 -4.948 885 HA LEU 116 HA LEU 116 25.481 -7.227 -7.227 886 1HB LEU 116 HB2 LEU 116 23.569 -5.008 -5.008 887 2HB LEU 116 HB1 LEU 116 24.171 -5.464 -5.464 888 HG LEU 116 HG LEU 116 22.823 -7.268 -7.268 889 1HD1 LEU 116 HD12 LEU 116 22.091 -6.217 -6.217 890 2HD1 LEU 116 HD11 LEU 116 21.279 -7.604 -7.604 891 3HD1 LEU 116 HD13 LEU 116 21.196 -6.026 -6.026 892 1HD2 LEU 116 HD21 LEU 116 24.588 -7.908 -7.908 893 2HD2 LEU 116 HD23 LEU 116 24.156 -8.900 -8.900 894 3HD2 LEU 116 HD22 LEU 116 23.058 -8.779 -8.779 895 H LEU 117 HN LEU 117 26.831 -4.019 -4.019 896 HA LEU 117 HA LEU 117 28.027 -4.235 -4.235 897 1HB LEU 117 HB2 LEU 117 28.748 -2.080 -2.080 898 2HB LEU 117 HB1 LEU 117 27.506 -2.073 -2.073 899 HG LEU 117 HG LEU 117 29.505 -2.999 -2.999 900 1HD1 LEU 117 HD13 LEU 117 30.836 -1.693 -1.693 901 2HD1 LEU 117 HD12 LEU 117 31.550 -1.520 -1.520 902 3HD1 LEU 117 HD11 LEU 117 31.331 -3.121 -3.121 903 1HD2 LEU 117 HD23 LEU 117 28.140 -0.753 -0.753 904 2HD2 LEU 117 HD22 LEU 117 29.668 -0.842 -0.842 905 3HD2 LEU 117 HD21 LEU 117 29.595 -0.065 -0.065 906 H GLN 118 HN GLN 118 28.530 -5.307 -5.307 907 HA GLN 118 HA GLN 118 30.559 -6.103 -6.103 908 1HB GLN 118 HB2 GLN 118 28.925 -7.765 -7.765 909 2HB GLN 118 HB1 GLN 118 30.559 -8.237 -8.237 910 1HG GLN 118 HG2 GLN 118 29.923 -9.545 -9.545 911 2HG GLN 118 HG1 GLN 118 31.100 -8.355 -8.355 912 1HE2 GLN 118 HE21 GLN 118 27.713 -9.331 -9.331 913 2HE2 GLN 118 HE22 GLN 118 27.278 -8.234 -8.234 Start of MODEL 40 1 1H MET 1 HT2 MET 1 -8.462 -11.479 -11.479 2 2H MET 1 HT1 MET 1 -7.690 -12.982 -12.982 3 3H MET 1 HT3 MET 1 -8.997 -12.571 -12.571 4 HA MET 1 HA MET 1 -10.561 -12.888 -12.888 5 1HB MET 1 HB2 MET 1 -8.289 -14.804 -14.804 6 2HB MET 1 HB1 MET 1 -9.969 -15.037 -15.037 7 1HG MET 1 HG2 MET 1 -9.067 -14.701 -14.701 8 2HG MET 1 HG1 MET 1 -9.356 -16.262 -16.262 9 1HE MET 1 HE2 MET 1 -10.642 -16.493 -16.493 10 2HE MET 1 HE1 MET 1 -12.338 -16.060 -16.060 11 3HE MET 1 HE3 MET 1 -11.070 -14.894 -14.894 12 H CYS 2 HN CYS 2 -10.677 -11.088 -11.088 13 HA CYS 2 HA CYS 2 -10.445 -9.951 -9.951 14 1HB CYS 2 HB2 CYS 2 -11.059 -12.356 -12.356 15 2HB CYS 2 HB1 CYS 2 -9.349 -12.528 -12.528 16 HG CYS 2 HG CYS 2 -10.369 -11.583 -11.583 17 H ASP 3 HN ASP 3 -8.530 -9.006 -9.006 18 HA ASP 3 HA ASP 3 -5.849 -9.754 -9.754 19 1HB ASP 3 HB2 ASP 3 -6.937 -6.927 -6.927 20 2HB ASP 3 HB1 ASP 3 -5.277 -7.414 -7.414 21 H LYS 4 HN LYS 4 -8.057 -8.231 -8.231 22 HA LYS 4 HA LYS 4 -6.265 -7.052 -7.052 23 1HB LYS 4 HB2 LYS 4 -8.829 -8.506 -8.506 24 2HB LYS 4 HB1 LYS 4 -8.060 -7.211 -7.211 25 1HG LYS 4 HG2 LYS 4 -8.287 -5.825 -5.825 26 2HG LYS 4 HG1 LYS 4 -9.465 -7.050 -7.050 27 1HD LYS 4 HD2 LYS 4 -10.736 -6.604 -6.604 28 2HD LYS 4 HD1 LYS 4 -9.578 -5.339 -5.339 29 1HE LYS 4 HE2 LYS 4 -10.132 -4.303 -4.303 30 2HE LYS 4 HE1 LYS 4 -11.508 -5.406 -5.406 31 1HZ LYS 4 HZ3 LYS 4 -10.959 -3.504 -3.504 32 2HZ LYS 4 HZ2 LYS 4 -12.028 -3.192 -3.192 33 3HZ LYS 4 HZ1 LYS 4 -12.343 -4.463 -4.463 34 H GLU 5 HN GLU 5 -7.858 -10.188 -10.188 35 HA GLU 5 HA GLU 5 -6.129 -11.075 -11.075 36 1HB GLU 5 HB2 GLU 5 -7.702 -12.529 -12.529 37 2HB GLU 5 HB1 GLU 5 -6.630 -13.441 -13.441 38 1HG GLU 5 HG2 GLU 5 -8.995 -13.263 -13.263 39 2HG GLU 5 HG1 GLU 5 -7.784 -12.636 -12.636 40 H PHE 6 HN PHE 6 -5.374 -10.627 -10.627 41 HA PHE 6 HA PHE 6 -3.199 -12.529 -12.529 42 1HB PHE 6 HB2 PHE 6 -4.493 -11.295 -11.295 43 2HB PHE 6 HB1 PHE 6 -3.303 -10.025 -10.025 44 HD1 PHE 6 HD2 PHE 6 -1.182 -12.382 -12.382 45 HD2 PHE 6 HD1 PHE 6 -3.573 -11.512 -11.512 46 HE1 PHE 6 HE2 PHE 6 0.412 -13.633 -13.633 47 HE2 PHE 6 HE1 PHE 6 -1.965 -12.765 -12.765 48 HZ PHE 6 HZ PHE 6 0.023 -13.825 -13.825 49 H MET 7 HN MET 7 -2.796 -8.971 -8.971 50 HA MET 7 HA MET 7 -0.127 -9.098 -9.098 51 1HB MET 7 HB2 MET 7 -0.023 -6.793 -6.793 52 2HB MET 7 HB1 MET 7 -1.287 -7.239 -7.239 53 1HG MET 7 HG2 MET 7 -1.751 -6.208 -6.208 54 2HG MET 7 HG1 MET 7 -1.949 -5.277 -5.277 55 1HE MET 7 HE3 MET 7 -3.610 -5.301 -5.301 56 2HE MET 7 HE2 MET 7 -3.451 -6.944 -6.944 57 3HE MET 7 HE1 MET 7 -5.032 -6.345 -6.345 58 H TRP 8 HN TRP 8 -3.205 -8.920 -8.920 59 HA TRP 8 HA TRP 8 -2.387 -7.742 -7.742 60 1HB TRP 8 HB2 TRP 8 -4.773 -8.407 -8.407 61 2HB TRP 8 HB1 TRP 8 -4.385 -9.999 -9.999 62 HD1 TRP 8 HD1 TRP 8 -3.746 -10.100 -10.100 63 HE1 TRP 8 HE1 TRP 8 -4.562 -8.633 -8.633 64 HE3 TRP 8 HE3 TRP 8 -5.554 -6.096 -6.096 65 HZ2 TRP 8 HZ2 TRP 8 -5.816 -6.094 -6.094 66 HZ3 TRP 8 HZ3 TRP 8 -6.553 -4.169 -4.169 67 HH2 TRP 8 HH2 TRP 8 -6.687 -4.162 -4.162 68 H ALA 9 HN ALA 9 -1.801 -10.884 -10.884 69 HA ALA 9 HA ALA 9 -0.935 -12.011 -12.011 70 1HB ALA 9 HB2 ALA 9 -0.837 -13.122 -13.122 71 2HB ALA 9 HB1 ALA 9 -0.355 -14.016 -14.016 72 3HB ALA 9 HB3 ALA 9 -2.032 -13.512 -13.512 73 H LEU 10 HN LEU 10 0.579 -11.226 -11.226 74 HA LEU 10 HA LEU 10 3.241 -11.771 -11.771 75 1HB LEU 10 HB2 LEU 10 2.035 -9.514 -9.514 76 2HB LEU 10 HB1 LEU 10 3.771 -9.793 -9.793 77 HG LEU 10 HG LEU 10 2.358 -12.262 -12.262 78 1HD1 LEU 10 HD11 LEU 10 1.767 -9.821 -9.821 79 2HD1 LEU 10 HD13 LEU 10 1.835 -11.420 -11.420 80 3HD1 LEU 10 HD12 LEU 10 0.664 -11.091 -11.091 81 1HD2 LEU 10 HD21 LEU 10 4.783 -11.775 -11.775 82 2HD2 LEU 10 HD23 LEU 10 3.980 -12.324 -12.324 83 3HD2 LEU 10 HD22 LEU 10 4.337 -10.613 -10.613 84 H LYS 11 HN LYS 11 1.186 -9.225 -9.225 85 HA LYS 11 HA LYS 11 3.385 -7.652 -7.652 86 1HB LYS 11 HB2 LYS 11 1.538 -6.487 -6.487 87 2HB LYS 11 HB1 LYS 11 0.388 -7.295 -7.295 88 1HG LYS 11 HG2 LYS 11 2.543 -5.914 -5.914 89 2HG LYS 11 HG1 LYS 11 1.555 -4.823 -4.823 90 1HD LYS 11 HD2 LYS 11 0.455 -6.846 -6.846 91 2HD LYS 11 HD1 LYS 11 0.646 -5.125 -5.125 92 1HE LYS 11 HE2 LYS 11 -1.424 -4.837 -4.837 93 2HE LYS 11 HE1 LYS 11 -0.738 -5.237 -5.237 94 1HZ LYS 11 HZ1 LYS 11 -1.769 -7.234 -7.234 95 2HZ LYS 11 HZ3 LYS 11 -2.647 -6.638 -6.638 96 3HZ LYS 11 HZ2 LYS 11 -1.229 -7.537 -7.537 97 H ASN 12 HN ASN 12 0.352 -9.048 -9.048 98 HA ASN 12 HA ASN 12 1.344 -8.704 -8.704 99 1HB ASN 12 HB2 ASN 12 -1.065 -8.610 -8.610 100 2HB ASN 12 HB1 ASN 12 -1.012 -10.353 -10.353 101 1HD2 ASN 12 HD21 ASN 12 0.609 -8.457 -8.457 102 2HD2 ASN 12 HD22 ASN 12 -0.223 -9.191 -9.191 103 H GLY 13 HN GLY 13 2.875 -10.472 -10.472 104 1HA GLY 13 HA2 GLY 13 4.039 -12.495 -12.495 105 2HA GLY 13 HA1 GLY 13 3.755 -12.359 -12.359 106 H ASP 14 HN ASP 14 0.843 -12.555 -12.555 107 HA ASP 14 HA ASP 14 0.206 -15.094 -15.094 108 1HB ASP 14 HB2 ASP 14 -1.226 -14.147 -14.147 109 2HB ASP 14 HB1 ASP 14 -1.846 -14.942 -14.942 110 H LEU 15 HN LEU 15 2.538 -15.446 -15.446 111 HA LEU 15 HA LEU 15 3.039 -16.189 -16.189 112 1HB LEU 15 HB2 LEU 15 4.698 -16.123 -16.123 113 2HB LEU 15 HB1 LEU 15 3.960 -17.532 -17.532 114 HG LEU 15 HG LEU 15 6.060 -17.901 -17.901 115 1HD1 LEU 15 HD11 LEU 15 3.817 -19.504 -19.504 116 2HD1 LEU 15 HD13 LEU 15 4.144 -19.709 -19.709 117 3HD1 LEU 15 HD12 LEU 15 5.400 -20.052 -20.052 118 1HD2 LEU 15 HD23 LEU 15 5.105 -16.409 -16.409 119 2HD2 LEU 15 HD22 LEU 15 5.897 -17.906 -17.906 120 3HD2 LEU 15 HD21 LEU 15 4.142 -17.815 -17.815 121 H ASP 16 HN ASP 16 1.046 -17.829 -17.829 122 HA ASP 16 HA ASP 16 0.968 -20.394 -20.394 123 1HB ASP 16 HB2 ASP 16 -1.118 -18.988 -18.988 124 2HB ASP 16 HB1 ASP 16 -1.066 -20.712 -20.712 125 H GLU 17 HN GLU 17 -0.757 -17.377 -17.377 126 HA GLU 17 HA GLU 17 -2.769 -18.547 -18.547 127 1HB GLU 17 HB2 GLU 17 -1.906 -15.729 -15.729 128 2HB GLU 17 HB1 GLU 17 -3.091 -16.060 -16.060 129 1HG GLU 17 HG2 GLU 17 -4.509 -17.248 -17.248 130 2HG GLU 17 HG1 GLU 17 -3.319 -16.950 -16.950 131 H VAL 18 HN VAL 18 0.206 -16.634 -16.634 132 HA VAL 18 HA VAL 18 -0.086 -16.761 -16.761 133 HB VAL 18 HB VAL 18 2.634 -16.591 -16.591 134 1HG1 VAL 18 HG13 VAL 18 0.831 -14.944 -14.944 135 2HG1 VAL 18 HG12 VAL 18 0.993 -14.137 -14.137 136 3HG1 VAL 18 HG11 VAL 18 2.402 -14.337 -14.337 137 1HG2 VAL 18 HG23 VAL 18 2.033 -16.842 -16.842 138 2HG2 VAL 18 HG22 VAL 18 3.187 -15.602 -15.602 139 3HG2 VAL 18 HG21 VAL 18 1.519 -15.160 -15.160 140 H LYS 19 HN LYS 19 1.159 -18.900 -18.900 141 HA LYS 19 HA LYS 19 2.728 -20.634 -20.634 142 1HB LYS 19 HB2 LYS 19 2.478 -20.690 -20.690 143 2HB LYS 19 HB1 LYS 19 0.904 -21.442 -21.442 144 1HG LYS 19 HG2 LYS 19 1.818 -23.472 -23.472 145 2HG LYS 19 HG1 LYS 19 3.041 -22.774 -22.774 146 1HD LYS 19 HD2 LYS 19 3.247 -22.467 -22.467 147 2HD LYS 19 HD1 LYS 19 3.827 -23.927 -23.927 148 1HE LYS 19 HE2 LYS 19 4.677 -21.310 -21.310 149 2HE LYS 19 HE1 LYS 19 5.416 -21.798 -21.798 150 1HZ LYS 19 HZ1 LYS 19 5.321 -24.012 -24.012 151 2HZ LYS 19 HZ3 LYS 19 6.017 -22.712 -22.712 152 3HZ LYS 19 HZ2 LYS 19 6.685 -23.225 -23.225 153 H ASP 20 HN ASP 20 -0.730 -20.355 -20.355 154 HA ASP 20 HA ASP 20 -1.396 -22.786 -22.786 155 1HB ASP 20 HB2 ASP 20 -2.837 -21.256 -21.256 156 2HB ASP 20 HB1 ASP 20 -3.268 -20.442 -20.442 157 H TYR 21 HN TYR 21 -1.069 -19.390 -19.390 158 HA TYR 21 HA TYR 21 -2.145 -19.593 -19.593 159 1HB TYR 21 HB2 TYR 21 -0.130 -17.776 -17.776 160 2HB TYR 21 HB1 TYR 21 -0.410 -17.662 -17.662 161 HD1 TYR 21 HD1 TYR 21 -2.346 -17.890 -17.890 162 HD2 TYR 21 HD2 TYR 21 -2.119 -16.262 -16.262 163 HE1 TYR 21 HE1 TYR 21 -4.406 -16.575 -16.575 164 HE2 TYR 21 HE2 TYR 21 -4.179 -14.949 -14.949 165 HH TYR 21 HH TYR 21 -5.446 -14.449 -14.449 166 H VAL 22 HN VAL 22 1.373 -19.627 -19.627 167 HA VAL 22 HA VAL 22 2.072 -20.468 -20.468 168 HB VAL 22 HB VAL 22 3.468 -19.717 -19.717 169 1HG1 VAL 22 HG13 VAL 22 3.610 -22.218 -22.218 170 2HG1 VAL 22 HG12 VAL 22 4.539 -22.352 -22.352 171 3HG1 VAL 22 HG11 VAL 22 5.160 -21.395 -21.395 172 1HG2 VAL 22 HG23 VAL 22 3.916 -18.995 -18.995 173 2HG2 VAL 22 HG22 VAL 22 5.380 -19.603 -19.603 174 3HG2 VAL 22 HG21 VAL 22 4.512 -20.611 -20.611 175 H ALA 23 HN ALA 23 0.752 -22.208 -22.208 176 HA ALA 23 HA ALA 23 1.849 -24.785 -24.785 177 1HB ALA 23 HB2 ALA 23 0.237 -24.029 -24.029 178 2HB ALA 23 HB1 ALA 23 -1.054 -24.286 -24.286 179 3HB ALA 23 HB3 ALA 23 -0.037 -25.636 -25.636 180 H LYS 24 HN LYS 24 -0.442 -22.887 -22.887 181 HA LYS 24 HA LYS 24 -1.649 -24.945 -24.945 182 1HB LYS 24 HB2 LYS 24 -1.241 -21.994 -21.994 183 2HB LYS 24 HB1 LYS 24 -1.884 -22.967 -22.967 184 1HG LYS 24 HG2 LYS 24 -3.672 -21.971 -21.971 185 2HG LYS 24 HG1 LYS 24 -3.727 -23.733 -23.733 186 1HD LYS 24 HD2 LYS 24 -2.642 -23.908 -23.908 187 2HD LYS 24 HD1 LYS 24 -2.323 -22.174 -22.174 188 1HE LYS 24 HE2 LYS 24 -4.243 -22.154 -22.154 189 2HE LYS 24 HE1 LYS 24 -5.016 -22.133 -22.133 190 1HZ LYS 24 HZ1 LYS 24 -4.286 -24.712 -24.712 191 2HZ LYS 24 HZ3 LYS 24 -5.665 -23.911 -23.911 192 3HZ LYS 24 HZ2 LYS 24 -5.555 -24.334 -24.334 193 H GLY 25 HN GLY 25 0.539 -22.596 -22.596 194 1HA GLY 25 HA2 GLY 25 2.454 -24.611 -24.611 195 2HA GLY 25 HA1 GLY 25 1.356 -24.226 -24.226 196 H GLU 26 HN GLU 26 3.910 -23.034 -23.034 197 HA GLU 26 HA GLU 26 5.086 -20.980 -20.980 198 1HB GLU 26 HB2 GLU 26 6.126 -20.705 -20.705 199 2HB GLU 26 HB1 GLU 26 6.484 -22.161 -22.161 200 1HG GLU 26 HG2 GLU 26 4.768 -23.397 -23.397 201 2HG GLU 26 HG1 GLU 26 4.323 -21.935 -21.935 202 H ASP 27 HN ASP 27 3.943 -19.188 -19.188 203 HA ASP 27 HA ASP 27 3.064 -17.610 -17.610 204 1HB ASP 27 HB2 ASP 27 1.289 -18.421 -18.421 205 2HB ASP 27 HB1 ASP 27 0.989 -16.940 -16.940 206 H VAL 28 HN VAL 28 5.350 -17.422 -17.422 207 HA VAL 28 HA VAL 28 4.867 -15.373 -15.373 208 HB VAL 28 HB VAL 28 7.306 -15.602 -15.602 209 1HG1 VAL 28 HG13 VAL 28 5.594 -17.127 -17.127 210 2HG1 VAL 28 HG12 VAL 28 5.885 -18.266 -18.266 211 3HG1 VAL 28 HG11 VAL 28 7.178 -17.881 -17.881 212 1HG2 VAL 28 HG21 VAL 28 7.665 -16.239 -16.239 213 2HG2 VAL 28 HG23 VAL 28 8.680 -16.982 -16.982 214 3HG2 VAL 28 HG22 VAL 28 7.316 -17.872 -17.872 215 H ASN 29 HN ASN 29 4.022 -14.119 -14.119 216 HA ASN 29 HA ASN 29 5.739 -11.901 -11.901 217 1HB ASN 29 HB2 ASN 29 5.827 -12.297 -12.297 218 2HB ASN 29 HB1 ASN 29 7.055 -13.035 -13.035 219 1HD2 ASN 29 HD21 ASN 29 6.746 -15.368 -15.368 220 2HD2 ASN 29 HD22 ASN 29 5.824 -16.349 -16.349 221 H ARG 30 HN ARG 30 3.094 -12.451 -12.451 222 HA ARG 30 HA ARG 30 1.416 -11.452 -11.452 223 1HB ARG 30 HB2 ARG 30 0.690 -12.743 -12.743 224 2HB ARG 30 HB1 ARG 30 -0.487 -12.142 -12.142 225 1HG ARG 30 HG2 ARG 30 0.696 -13.661 -13.661 226 2HG ARG 30 HG1 ARG 30 1.474 -14.419 -14.419 227 1HD ARG 30 HD2 ARG 30 -0.631 -15.081 -15.081 228 2HD ARG 30 HD1 ARG 30 -1.534 -14.096 -14.096 229 HE ARG 30 HE ARG 30 -0.641 -16.804 -16.804 230 1HH1 ARG 30 HH21 ARG 30 -0.809 -13.775 -13.775 231 2HH1 ARG 30 HH22 ARG 30 -0.674 -14.485 -14.485 232 1HH2 ARG 30 HH11 ARG 30 -0.464 -17.731 -17.731 233 2HH2 ARG 30 HH12 ARG 30 -0.480 -16.720 -16.720 234 H THR 31 HN THR 31 1.076 -9.308 -9.308 235 HA THR 31 HA THR 31 1.792 -7.533 -7.533 236 HB THR 31 HB THR 31 0.398 -5.879 -5.879 237 HG1 THR 31 HG1 THR 31 -0.229 -8.149 -8.149 238 1HG2 THR 31 HG23 THR 31 2.302 -7.685 -7.685 239 2HG2 THR 31 HG22 THR 31 1.567 -6.294 -6.294 240 3HG2 THR 31 HG21 THR 31 2.585 -6.060 -6.060 241 H LEU 32 HN LEU 32 0.759 -8.470 -8.470 242 HA LEU 32 HA LEU 32 -2.028 -8.897 -8.897 243 1HB LEU 32 HB2 LEU 32 -1.805 -8.401 -8.401 244 2HB LEU 32 HB1 LEU 32 -0.766 -9.674 -9.674 245 HG LEU 32 HG LEU 32 0.446 -8.256 -8.256 246 1HD1 LEU 32 HD13 LEU 32 1.472 -9.131 -9.131 247 2HD1 LEU 32 HD12 LEU 32 1.626 -7.401 -7.401 248 3HD1 LEU 32 HD11 LEU 32 2.400 -8.099 -8.099 249 1HD2 LEU 32 HD23 LEU 32 -1.040 -6.171 -6.171 250 2HD2 LEU 32 HD22 LEU 32 0.449 -5.987 -5.987 251 3HD2 LEU 32 HD21 LEU 32 0.482 -5.865 -5.865 252 H GLU 33 HN GLU 33 -0.155 -5.957 -5.957 253 HA GLU 33 HA GLU 33 -2.496 -4.293 -4.293 254 1HB GLU 33 HB2 GLU 33 -0.308 -3.527 -3.527 255 2HB GLU 33 HB1 GLU 33 0.318 -3.561 -3.561 256 1HG GLU 33 HG2 GLU 33 -1.183 -1.796 -1.796 257 2HG GLU 33 HG1 GLU 33 -2.038 -1.863 -1.863 258 H GLY 34 HN GLY 34 -0.210 -4.205 -4.205 259 1HA GLY 34 HA2 GLY 34 -2.061 -4.703 -4.703 260 2HA GLY 34 HA1 GLY 34 -2.108 -2.965 -2.965 261 H GLY 35 HN GLY 35 0.864 -3.427 -3.427 262 1HA GLY 35 HA2 GLY 35 2.216 -3.989 -3.989 263 2HA GLY 35 HA1 GLY 35 2.242 -2.284 -2.284 264 H ARG 36 HN ARG 36 2.141 -4.625 -4.625 265 HA ARG 36 HA ARG 36 5.013 -4.055 -4.055 266 1HB ARG 36 HB2 ARG 36 2.857 -4.845 -4.845 267 2HB ARG 36 HB1 ARG 36 4.432 -4.131 -4.131 268 1HG ARG 36 HG2 ARG 36 2.394 -2.664 -2.664 269 2HG ARG 36 HG1 ARG 36 2.356 -2.566 -2.566 270 1HD ARG 36 HD2 ARG 36 4.792 -1.868 -1.868 271 2HD ARG 36 HD1 ARG 36 4.611 -1.734 -1.734 272 HE ARG 36 HE ARG 36 2.538 -0.192 -0.192 273 1HH1 ARG 36 HH21 ARG 36 5.929 -0.412 -0.412 274 2HH1 ARG 36 HH22 ARG 36 6.115 1.276 1.276 275 1HH2 ARG 36 HH11 ARG 36 2.763 2.016 2.016 276 2HH2 ARG 36 HH12 ARG 36 4.324 2.649 2.649 277 H LYS 37 HN LYS 37 5.484 -5.956 -5.956 278 HA LYS 37 HA LYS 37 4.724 -8.567 -8.567 279 1HB LYS 37 HB2 LYS 37 6.893 -9.249 -9.249 280 2HB LYS 37 HB1 LYS 37 7.090 -7.524 -7.524 281 1HG LYS 37 HG2 LYS 37 7.689 -8.982 -8.982 282 2HG LYS 37 HG1 LYS 37 8.888 -8.437 -8.437 283 1HD LYS 37 HD2 LYS 37 6.925 -6.537 -6.537 284 2HD LYS 37 HD1 LYS 37 8.502 -6.889 -6.889 285 1HE LYS 37 HE2 LYS 37 7.879 -5.564 -5.564 286 2HE LYS 37 HE1 LYS 37 8.807 -4.919 -4.919 287 1HZ LYS 37 HZ1 LYS 37 10.159 -7.154 -7.154 288 2HZ LYS 37 HZ3 LYS 37 9.625 -6.721 -6.721 289 3HZ LYS 37 HZ2 LYS 37 10.544 -5.625 -5.625 290 HA PRO 38 HA PRO 38 4.204 -9.747 -9.747 291 1HB PRO 38 HB2 PRO 38 4.994 -12.439 -12.439 292 2HB PRO 38 HB1 PRO 38 3.396 -11.808 -11.808 293 1HG PRO 38 HG2 PRO 38 5.474 -12.832 -12.832 294 2HG PRO 38 HG1 PRO 38 3.783 -12.462 -12.462 295 1HD PRO 38 HD2 PRO 38 6.109 -10.906 -10.906 296 2HD PRO 38 HD1 PRO 38 4.408 -10.525 -10.525 297 H LEU 39 HN LEU 39 7.002 -8.744 -8.744 298 HA LEU 39 HA LEU 39 8.451 -10.205 -10.205 299 1HB LEU 39 HB2 LEU 39 9.279 -10.480 -10.480 300 2HB LEU 39 HB1 LEU 39 9.779 -8.802 -8.802 301 HG LEU 39 HG LEU 39 11.576 -9.287 -9.287 302 1HD1 LEU 39 HD11 LEU 39 10.036 -11.555 -11.555 303 2HD1 LEU 39 HD13 LEU 39 11.662 -11.051 -11.051 304 3HD1 LEU 39 HD12 LEU 39 10.310 -9.961 -9.961 305 1HD2 LEU 39 HD21 LEU 39 11.535 -10.911 -10.911 306 2HD2 LEU 39 HD23 LEU 39 12.647 -11.284 -11.284 307 3HD2 LEU 39 HD22 LEU 39 11.119 -12.153 -12.153 308 H HIS 40 HN HIS 40 7.460 -7.145 -7.145 309 HA HIS 40 HA HIS 40 9.292 -5.518 -5.518 310 1HB HIS 40 HB2 HIS 40 8.220 -4.620 -4.620 311 2HB HIS 40 HB1 HIS 40 6.631 -4.822 -4.822 312 HD1 HIS 40 HD1 HIS 40 9.676 -2.649 -2.649 313 HD2 HIS 40 HD2 HIS 40 6.038 -2.943 -2.943 314 HE1 HIS 40 HE1 HIS 40 9.414 -0.505 -0.505 315 H TYR 41 HN TYR 41 5.879 -6.500 -6.500 316 HA TYR 41 HA TYR 41 5.586 -5.145 -5.145 317 1HB TYR 41 HB2 TYR 41 4.026 -7.597 -7.597 318 2HB TYR 41 HB1 TYR 41 3.489 -6.230 -6.230 319 HD1 TYR 41 HD1 TYR 41 4.436 -7.291 -7.291 320 HD2 TYR 41 HD2 TYR 41 2.672 -4.233 -4.233 321 HE1 TYR 41 HE1 TYR 41 3.641 -6.128 -6.128 322 HE2 TYR 41 HE2 TYR 41 1.878 -3.069 -3.069 323 HH TYR 41 HH TYR 41 1.354 -3.607 -3.607 324 H ALA 42 HN ALA 42 6.523 -8.384 -8.384 325 HA ALA 42 HA ALA 42 6.677 -9.537 -9.537 326 1HB ALA 42 HB1 ALA 42 6.756 -10.681 -10.681 327 2HB ALA 42 HB3 ALA 42 8.486 -10.364 -10.364 328 3HB ALA 42 HB2 ALA 42 7.702 -11.379 -11.379 329 H ALA 43 HN ALA 43 9.202 -8.343 -8.343 330 HA ALA 43 HA ALA 43 11.352 -8.445 -8.445 331 1HB ALA 43 HB3 ALA 43 10.820 -6.426 -6.426 332 2HB ALA 43 HB2 ALA 43 12.382 -6.686 -6.686 333 3HB ALA 43 HB1 ALA 43 11.654 -7.968 -7.968 334 H ASP 44 HN ASP 44 9.409 -5.582 -5.582 335 HA ASP 44 HA ASP 44 10.342 -3.824 -3.824 336 1HB ASP 44 HB2 ASP 44 8.807 -3.257 -3.257 337 2HB ASP 44 HB1 ASP 44 7.487 -3.992 -3.992 338 H CYS 45 HN CYS 45 7.739 -6.241 -6.241 339 HA CYS 45 HA CYS 45 8.089 -6.187 -6.187 340 1HB CYS 45 HB2 CYS 45 5.511 -5.268 -5.268 341 2HB CYS 45 HB1 CYS 45 5.667 -5.671 -5.671 342 HG CYS 45 HG CYS 45 6.185 -3.208 -3.208 343 H GLY 46 HN GLY 46 8.639 -8.381 -8.381 344 1HA GLY 46 HA2 GLY 46 6.144 -10.025 -10.025 345 2HA GLY 46 HA1 GLY 46 7.665 -10.409 -10.409 346 H GLN 47 HN GLN 47 7.628 -9.306 -9.306 347 HA GLN 47 HA GLN 47 8.398 -10.451 -10.451 348 1HB GLN 47 HB2 GLN 47 6.197 -11.792 -11.792 349 2HB GLN 47 HB1 GLN 47 7.402 -13.075 -13.075 350 1HG GLN 47 HG2 GLN 47 6.586 -13.266 -13.266 351 2HG GLN 47 HG1 GLN 47 7.970 -12.211 -12.211 352 1HE2 GLN 47 HE21 GLN 47 4.772 -11.323 -11.323 353 2HE2 GLN 47 HE22 GLN 47 4.388 -10.188 -10.188 354 H LEU 48 HN LEU 48 9.620 -10.675 -10.675 355 HA LEU 48 HA LEU 48 11.620 -11.376 -11.376 356 1HB LEU 48 HB2 LEU 48 12.079 -12.082 -12.082 357 2HB LEU 48 HB1 LEU 48 13.279 -12.389 -12.389 358 HG LEU 48 HG LEU 48 13.968 -10.261 -10.261 359 1HD1 LEU 48 HD12 LEU 48 11.110 -9.457 -9.457 360 2HD1 LEU 48 HD11 LEU 48 12.475 -8.356 -8.356 361 3HD1 LEU 48 HD13 LEU 48 12.414 -9.652 -9.652 362 1HD2 LEU 48 HD21 LEU 48 11.716 -9.995 -9.995 363 2HD2 LEU 48 HD23 LEU 48 13.436 -10.206 -10.206 364 3HD2 LEU 48 HD22 LEU 48 12.846 -8.683 -8.683 365 H GLU 49 HN GLU 49 9.368 -13.504 -13.504 366 HA GLU 49 HA GLU 49 10.841 -15.891 -15.891 367 1HB GLU 49 HB2 GLU 49 8.006 -15.696 -15.696 368 2HB GLU 49 HB1 GLU 49 8.987 -17.141 -17.141 369 1HG GLU 49 HG2 GLU 49 10.581 -16.095 -16.095 370 2HG GLU 49 HG1 GLU 49 9.389 -14.817 -14.817 371 H ILE 50 HN ILE 50 8.174 -13.814 -13.814 372 HA ILE 50 HA ILE 50 7.090 -15.364 -15.364 373 HB ILE 50 HB ILE 50 7.140 -12.369 -12.369 374 1HG1 ILE 50 HG12 ILE 50 6.041 -14.388 -14.388 375 2HG1 ILE 50 HG11 ILE 50 5.888 -12.645 -12.645 376 1HG2 ILE 50 HG23 ILE 50 6.379 -13.359 -13.359 377 2HG2 ILE 50 HG22 ILE 50 5.038 -14.076 -14.076 378 3HG2 ILE 50 HG21 ILE 50 5.211 -12.326 -12.326 379 1HD1 ILE 50 HD11 ILE 50 4.100 -14.199 -14.199 380 2HD1 ILE 50 HD13 ILE 50 3.718 -14.041 -14.041 381 3HD1 ILE 50 HD12 ILE 50 3.839 -12.607 -12.607 382 H LEU 51 HN LEU 51 9.409 -12.653 -12.653 383 HA LEU 51 HA LEU 51 9.639 -12.537 -12.537 384 1HB LEU 51 HB2 LEU 51 12.270 -12.186 -12.186 385 2HB LEU 51 HB1 LEU 51 11.062 -10.923 -10.923 386 HG LEU 51 HG LEU 51 12.321 -10.808 -10.808 387 1HD1 LEU 51 HD12 LEU 51 9.522 -10.953 -10.953 388 2HD1 LEU 51 HD11 LEU 51 9.999 -11.864 -11.864 389 3HD1 LEU 51 HD13 LEU 51 10.519 -10.196 -10.196 390 1HD2 LEU 51 HD22 LEU 51 12.772 -13.368 -13.368 391 2HD2 LEU 51 HD21 LEU 51 12.723 -12.574 -12.574 392 3HD2 LEU 51 HD23 LEU 51 11.327 -13.493 -13.493 393 H GLU 52 HN GLU 52 11.606 -14.693 -14.693 394 HA GLU 52 HA GLU 52 13.012 -15.964 -15.964 395 1HB GLU 52 HB2 GLU 52 12.034 -17.521 -17.521 396 2HB GLU 52 HB1 GLU 52 13.547 -17.692 -17.692 397 1HG GLU 52 HG2 GLU 52 14.297 -15.498 -15.498 398 2HG GLU 52 HG1 GLU 52 12.784 -15.354 -15.354 399 H PHE 53 HN PHE 53 9.750 -16.609 -16.609 400 HA PHE 53 HA PHE 53 9.295 -19.116 -19.116 401 1HB PHE 53 HB2 PHE 53 7.735 -18.206 -18.206 402 2HB PHE 53 HB1 PHE 53 7.396 -16.832 -16.832 403 HD1 PHE 53 HD1 PHE 53 7.454 -20.582 -20.582 404 HD2 PHE 53 HD2 PHE 53 5.428 -16.918 -16.918 405 HE1 PHE 53 HE1 PHE 53 5.651 -21.868 -21.868 406 HE2 PHE 53 HE2 PHE 53 3.631 -18.203 -18.203 407 HZ PHE 53 HZ PHE 53 3.743 -20.675 -20.675 408 H LEU 54 HN LEU 54 7.546 -16.360 -16.360 409 HA LEU 54 HA LEU 54 7.201 -17.590 -17.590 410 1HB LEU 54 HB2 LEU 54 6.602 -15.428 -15.428 411 2HB LEU 54 HB1 LEU 54 5.942 -15.595 -15.595 412 HG LEU 54 HG LEU 54 6.766 -13.446 -13.446 413 1HD1 LEU 54 HD12 LEU 54 7.856 -14.712 -14.712 414 2HD1 LEU 54 HD11 LEU 54 9.223 -15.040 -15.040 415 3HD1 LEU 54 HD13 LEU 54 8.865 -13.395 -13.395 416 1HD2 LEU 54 HD22 LEU 54 7.759 -13.617 -13.617 417 2HD2 LEU 54 HD21 LEU 54 8.622 -12.570 -12.570 418 3HD2 LEU 54 HD23 LEU 54 9.246 -14.178 -14.178 419 H LEU 55 HN LEU 55 10.136 -16.679 -16.679 420 HA LEU 55 HA LEU 55 11.383 -15.987 -15.987 421 1HB LEU 55 HB2 LEU 55 11.984 -15.265 -15.265 422 2HB LEU 55 HB1 LEU 55 13.088 -16.618 -16.618 423 HG LEU 55 HG LEU 55 12.880 -14.366 -14.366 424 1HD1 LEU 55 HD13 LEU 55 14.670 -14.661 -14.661 425 2HD1 LEU 55 HD12 LEU 55 14.997 -13.541 -13.541 426 3HD1 LEU 55 HD11 LEU 55 13.544 -13.347 -13.347 427 1HD2 LEU 55 HD21 LEU 55 14.899 -16.551 -16.551 428 2HD2 LEU 55 HD23 LEU 55 13.924 -16.359 -16.359 429 3HD2 LEU 55 HD22 LEU 55 15.208 -15.208 -15.208 430 H LEU 56 HN LEU 56 11.056 -18.708 -18.708 431 HA LEU 56 HA LEU 56 13.062 -20.428 -20.428 432 1HB LEU 56 HB2 LEU 56 10.284 -21.377 -21.377 433 2HB LEU 56 HB1 LEU 56 11.799 -22.257 -22.257 434 HG LEU 56 HG LEU 56 10.902 -19.852 -19.852 435 1HD1 LEU 56 HD13 LEU 56 9.987 -22.079 -22.079 436 2HD1 LEU 56 HD12 LEU 56 11.637 -22.668 -22.668 437 3HD1 LEU 56 HD11 LEU 56 11.025 -21.391 -21.391 438 1HD2 LEU 56 HD23 LEU 56 13.589 -21.188 -21.188 439 2HD2 LEU 56 HD22 LEU 56 13.212 -19.465 -19.465 440 3HD2 LEU 56 HD21 LEU 56 13.129 -20.404 -20.404 441 H LYS 57 HN LYS 57 9.691 -20.187 -20.187 442 HA LYS 57 HA LYS 57 9.963 -22.023 -22.023 443 1HB LYS 57 HB2 LYS 57 7.937 -20.169 -20.169 444 2HB LYS 57 HB1 LYS 57 7.956 -20.196 -20.196 445 1HG LYS 57 HG2 LYS 57 6.480 -21.940 -21.940 446 2HG LYS 57 HG1 LYS 57 7.998 -22.800 -22.800 447 1HD LYS 57 HD2 LYS 57 7.206 -21.826 -21.826 448 2HD LYS 57 HD1 LYS 57 6.555 -23.335 -23.335 449 1HE LYS 57 HE2 LYS 57 8.980 -24.008 -24.008 450 2HE LYS 57 HE1 LYS 57 9.449 -22.638 -22.638 451 1HZ LYS 57 HZ2 LYS 57 7.442 -24.151 -24.151 452 2HZ LYS 57 HZ1 LYS 57 8.732 -25.164 -25.164 453 3HZ LYS 57 HZ3 LYS 57 9.019 -23.800 -23.800 454 H GLY 58 HN GLY 58 8.974 -18.854 -18.854 455 1HA GLY 58 HA2 GLY 58 11.084 -18.900 -18.900 456 2HA GLY 58 HA1 GLY 58 9.819 -17.676 -17.676 457 H ALA 59 HN ALA 59 11.110 -15.790 -15.790 458 HA ALA 59 HA ALA 59 12.246 -15.135 -15.135 459 1HB ALA 59 HB1 ALA 59 13.978 -16.807 -16.807 460 2HB ALA 59 HB3 ALA 59 14.455 -15.425 -15.425 461 3HB ALA 59 HB2 ALA 59 14.548 -15.335 -15.335 462 H ASP 60 HN ASP 60 11.023 -13.262 -13.262 463 HA ASP 60 HA ASP 60 11.648 -11.524 -11.524 464 1HB ASP 60 HB2 ASP 60 9.473 -11.598 -11.598 465 2HB ASP 60 HB1 ASP 60 10.397 -10.613 -10.613 466 H ILE 61 HN ILE 61 13.359 -12.612 -12.612 467 HA ILE 61 HA ILE 61 14.538 -10.518 -10.518 468 HB ILE 61 HB ILE 61 14.924 -12.993 -12.993 469 1HG1 ILE 61 HG12 ILE 61 17.289 -11.117 -11.117 470 2HG1 ILE 61 HG11 ILE 61 16.349 -11.503 -11.503 471 1HG2 ILE 61 HG22 ILE 61 15.365 -13.326 -13.326 472 2HG2 ILE 61 HG21 ILE 61 16.960 -12.625 -12.625 473 3HG2 ILE 61 HG23 ILE 61 16.503 -14.123 -14.123 474 1HD1 ILE 61 HD11 ILE 61 17.175 -14.005 -14.005 475 2HD1 ILE 61 HD13 ILE 61 18.561 -13.005 -13.005 476 3HD1 ILE 61 HD12 ILE 61 17.978 -13.040 -13.040 477 H ASN 62 HN ASN 62 14.939 -11.404 -11.404 478 HA ASN 62 HA ASN 62 16.789 -9.108 -9.108 479 1HB ASN 62 HB2 ASN 62 18.163 -10.452 -10.452 480 2HB ASN 62 HB1 ASN 62 18.162 -11.159 -11.159 481 1HD2 ASN 62 HD21 ASN 62 15.552 -12.382 -12.382 482 2HD2 ASN 62 HD22 ASN 62 15.597 -13.638 -13.638 483 H ALA 63 HN ALA 63 14.714 -11.495 -11.495 484 HA ALA 63 HA ALA 63 14.302 -10.967 -10.967 485 1HB ALA 63 HB1 ALA 63 12.677 -11.966 -11.966 486 2HB ALA 63 HB3 ALA 63 11.769 -10.527 -10.527 487 3HB ALA 63 HB2 ALA 63 12.169 -11.733 -11.733 488 HA PRO 64 HA PRO 64 11.679 -6.721 -6.721 489 1HB PRO 64 HB2 PRO 64 14.321 -5.916 -5.916 490 2HB PRO 64 HB1 PRO 64 12.687 -5.405 -5.405 491 1HG PRO 64 HG2 PRO 64 14.173 -7.479 -7.479 492 2HG PRO 64 HG1 PRO 64 12.439 -7.188 -7.188 493 1HD PRO 64 HD2 PRO 64 13.575 -9.471 -9.471 494 2HD PRO 64 HD1 PRO 64 11.884 -8.977 -8.977 495 H ASP 65 HN ASP 65 11.561 -5.359 -5.359 496 HA ASP 65 HA ASP 65 13.941 -4.698 -4.698 497 1HB ASP 65 HB2 ASP 65 11.299 -5.865 -5.865 498 2HB ASP 65 HB1 ASP 65 12.320 -4.940 -4.940 499 H LYS 66 HN LYS 66 10.486 -4.091 -4.091 500 HA LYS 66 HA LYS 66 10.657 -1.344 -1.344 501 1HB LYS 66 HB2 LYS 66 8.644 -2.927 -2.927 502 2HB LYS 66 HB1 LYS 66 8.372 -2.591 -2.591 503 1HG LYS 66 HG2 LYS 66 7.112 -0.922 -0.922 504 2HG LYS 66 HG1 LYS 66 8.643 -0.079 -0.079 505 1HD LYS 66 HD2 LYS 66 9.165 -0.813 -0.813 506 2HD LYS 66 HD1 LYS 66 7.509 -1.408 -1.408 507 1HE LYS 66 HE2 LYS 66 8.324 1.451 1.451 508 2HE LYS 66 HE1 LYS 66 7.672 0.862 0.862 509 1HZ LYS 66 HZ2 LYS 66 6.235 0.570 0.570 510 2HZ LYS 66 HZ1 LYS 66 6.031 1.916 1.916 511 3HZ LYS 66 HZ3 LYS 66 5.619 0.367 0.367 512 H HIS 67 HN HIS 67 10.874 -3.066 -3.066 513 HA HIS 67 HA HIS 67 10.443 -0.726 -0.726 514 1HB HIS 67 HB2 HIS 67 11.341 -3.575 -3.575 515 2HB HIS 67 HB1 HIS 67 11.379 -2.389 -2.389 516 HD1 HIS 67 HD1 HIS 67 9.136 -1.686 -1.686 517 HD2 HIS 67 HD2 HIS 67 8.702 -4.199 -4.199 518 HE1 HIS 67 HE1 HIS 67 6.696 -2.362 -2.362 519 H HIS 68 HN HIS 68 12.859 -1.792 -1.792 520 HA HIS 68 HA HIS 68 15.195 -1.462 -1.462 521 1HB HIS 68 HB2 HIS 68 14.719 1.132 1.132 522 2HB HIS 68 HB1 HIS 68 15.711 0.811 0.811 523 HD1 HIS 68 HD1 HIS 68 14.097 -0.116 -0.116 524 HD2 HIS 68 HD2 HIS 68 12.376 2.380 2.380 525 HE1 HIS 68 HE1 HIS 68 12.025 0.871 0.871 526 H ILE 69 HN ILE 69 14.029 -2.622 -2.622 527 HA ILE 69 HA ILE 69 16.527 -2.375 -2.375 528 HB ILE 69 HB ILE 69 14.470 -0.582 -0.582 529 1HG1 ILE 69 HG12 ILE 69 16.856 -0.294 -0.294 530 2HG1 ILE 69 HG11 ILE 69 15.880 0.001 0.001 531 1HG2 ILE 69 HG21 ILE 69 13.197 -2.423 -2.423 532 2HG2 ILE 69 HG23 ILE 69 14.560 -2.728 -2.728 533 3HG2 ILE 69 HG22 ILE 69 13.690 -1.203 -1.203 534 1HD1 ILE 69 HD11 ILE 69 16.310 -2.553 -2.553 535 2HD1 ILE 69 HD13 ILE 69 17.669 -2.324 -2.324 536 3HD1 ILE 69 HD12 ILE 69 17.553 -1.379 -1.379 537 H THR 70 HN THR 70 16.730 -3.855 -3.855 538 HA THR 70 HA THR 70 14.882 -6.166 -6.166 539 HB THR 70 HB THR 70 16.978 -7.032 -7.032 540 HG1 THR 70 HG1 THR 70 16.488 -7.033 -7.033 541 1HG2 THR 70 HG21 THR 70 18.049 -4.872 -4.872 542 2HG2 THR 70 HG23 THR 70 19.067 -6.114 -6.114 543 3HG2 THR 70 HG22 THR 70 18.209 -4.971 -4.971 544 HA PRO 71 HA PRO 71 13.370 -5.292 -5.292 545 1HB PRO 71 HB2 PRO 71 13.515 -8.016 -8.016 546 2HB PRO 71 HB1 PRO 71 12.107 -7.086 -7.086 547 1HG PRO 71 HG2 PRO 71 13.179 -9.246 -9.246 548 2HG PRO 71 HG1 PRO 71 12.160 -7.991 -7.991 549 1HD PRO 71 HD2 PRO 71 15.116 -8.331 -8.331 550 2HD PRO 71 HD1 PRO 71 13.993 -7.586 -7.586 551 H LEU 72 HN LEU 72 16.591 -6.856 -6.856 552 HA LEU 72 HA LEU 72 16.875 -6.890 -6.890 553 1HB LEU 72 HB2 LEU 72 19.308 -5.879 -5.879 554 2HB LEU 72 HB1 LEU 72 19.095 -7.261 -7.261 555 HG LEU 72 HG LEU 72 19.724 -8.260 -8.260 556 1HD1 LEU 72 HD11 LEU 72 16.931 -8.489 -8.489 557 2HD1 LEU 72 HD13 LEU 72 17.131 -8.603 -8.603 558 3HD1 LEU 72 HD12 LEU 72 18.010 -9.688 -9.688 559 1HD2 LEU 72 HD22 LEU 72 18.010 -6.221 -6.221 560 2HD2 LEU 72 HD21 LEU 72 19.768 -6.246 -6.246 561 3HD2 LEU 72 HD23 LEU 72 18.915 -7.515 -7.515 562 H LEU 73 HN LEU 73 17.223 -4.190 -4.190 563 HA LEU 73 HA LEU 73 18.060 -2.365 -2.365 564 1HB LEU 73 HB2 LEU 73 16.794 -1.720 -1.720 565 2HB LEU 73 HB1 LEU 73 17.631 -0.579 -0.579 566 HG LEU 73 HG LEU 73 19.609 -2.300 -2.300 567 1HD1 LEU 73 HD13 LEU 73 17.708 -3.384 -3.384 568 2HD1 LEU 73 HD12 LEU 73 19.240 -2.999 -2.999 569 3HD1 LEU 73 HD11 LEU 73 19.207 -4.081 -4.081 570 1HD2 LEU 73 HD22 LEU 73 18.754 -0.244 -0.244 571 2HD2 LEU 73 HD21 LEU 73 20.081 -0.190 -0.190 572 3HD2 LEU 73 HD23 LEU 73 20.219 -1.178 -1.178 573 H SER 74 HN SER 74 15.008 -3.595 -3.595 574 HA SER 74 HA SER 74 13.304 -1.540 -1.540 575 1HB SER 74 HB2 SER 74 12.565 -3.561 -3.561 576 2HB SER 74 HB1 SER 74 12.788 -4.522 -4.522 577 HG SER 74 HG SER 74 11.153 -3.448 -3.448 578 H ALA 75 HN ALA 75 14.700 -4.344 -4.344 579 HA ALA 75 HA ALA 75 13.581 -3.647 -3.647 580 1HB ALA 75 HB3 ALA 75 15.795 -5.523 -5.523 581 2HB ALA 75 HB2 ALA 75 15.302 -5.331 -5.331 582 3HB ALA 75 HB1 ALA 75 14.154 -5.945 -5.945 583 H VAL 76 HN VAL 76 16.629 -3.007 -3.007 584 HA VAL 76 HA VAL 76 18.295 -2.154 -2.154 585 HB VAL 76 HB VAL 76 17.776 -0.997 -0.997 586 1HG1 VAL 76 HG12 VAL 76 18.871 0.596 0.596 587 2HG1 VAL 76 HG11 VAL 76 20.301 -0.297 -0.297 588 3HG1 VAL 76 HG13 VAL 76 19.377 0.620 0.620 589 1HG2 VAL 76 HG21 VAL 76 18.773 -3.264 -3.264 590 2HG2 VAL 76 HG23 VAL 76 19.903 -2.121 -2.121 591 3HG2 VAL 76 HG22 VAL 76 20.073 -2.586 -2.586 592 H TYR 77 HN TYR 77 16.216 0.262 0.262 593 HA TYR 77 HA TYR 77 16.430 2.079 2.079 594 1HB TYR 77 HB2 TYR 77 14.260 2.514 2.514 595 2HB TYR 77 HB1 TYR 77 15.483 3.637 3.637 596 HD1 TYR 77 HD2 TYR 77 17.768 3.626 3.626 597 HD2 TYR 77 HD1 TYR 77 14.655 1.123 1.123 598 HE1 TYR 77 HE2 TYR 77 19.115 3.234 3.234 599 HE2 TYR 77 HE1 TYR 77 15.997 0.730 0.730 600 HH TYR 77 HH TYR 77 17.831 1.902 1.902 601 H GLU 78 HN GLU 78 15.431 -0.364 -0.364 602 HA GLU 78 HA GLU 78 12.621 0.386 0.386 603 1HB GLU 78 HB2 GLU 78 12.984 -1.643 -1.643 604 2HB GLU 78 HB1 GLU 78 13.509 -2.488 -2.488 605 1HG GLU 78 HG2 GLU 78 11.192 -2.927 -2.927 606 2HG GLU 78 HG1 GLU 78 11.326 -1.596 -1.596 607 H GLY 79 HN GLY 79 15.739 -0.756 -0.756 608 1HA GLY 79 HA2 GLY 79 16.567 -0.710 -0.710 609 2HA GLY 79 HA1 GLY 79 14.918 -0.444 -0.444 610 H HIS 80 HN HIS 80 14.529 -2.778 -2.778 611 HA HIS 80 HA HIS 80 14.357 -4.888 -4.888 612 1HB HIS 80 HB2 HIS 80 13.598 -4.561 -4.561 613 2HB HIS 80 HB1 HIS 80 13.797 -6.198 -6.198 614 HD1 HIS 80 HD1 HIS 80 11.493 -7.036 -7.036 615 HD2 HIS 80 HD2 HIS 80 12.007 -3.093 -3.093 616 HE1 HIS 80 HE1 HIS 80 9.357 -6.383 -6.383 617 H VAL 81 HN VAL 81 15.932 -4.684 -4.684 618 HA VAL 81 HA VAL 81 17.742 -5.969 -5.969 619 HB VAL 81 HB VAL 81 19.829 -5.311 -5.311 620 1HG1 VAL 81 HG13 VAL 81 19.015 -4.325 -4.325 621 2HG1 VAL 81 HG12 VAL 81 18.136 -3.131 -3.131 622 3HG1 VAL 81 HG11 VAL 81 19.894 -3.206 -3.206 623 1HG2 VAL 81 HG21 VAL 81 18.438 -4.685 -4.685 624 2HG2 VAL 81 HG23 VAL 81 19.413 -3.344 -3.344 625 3HG2 VAL 81 HG22 VAL 81 17.693 -3.410 -3.410 626 H SER 82 HN SER 82 16.097 -7.237 -7.237 627 HA SER 82 HA SER 82 18.077 -9.148 -9.148 628 1HB SER 82 HB2 SER 82 16.333 -8.878 -8.878 629 2HB SER 82 HB1 SER 82 15.118 -8.675 -8.675 630 HG SER 82 HG SER 82 15.446 -10.804 -10.804 631 H CYS 83 HN CYS 83 15.976 -8.604 -8.604 632 HA CYS 83 HA CYS 83 15.900 -11.380 -11.380 633 1HB CYS 83 HB2 CYS 83 14.957 -10.006 -10.006 634 2HB CYS 83 HB1 CYS 83 13.965 -10.274 -10.274 635 HG CYS 83 HG CYS 83 15.641 -7.650 -7.650 636 H VAL 84 HN VAL 84 17.299 -8.271 -8.271 637 HA VAL 84 HA VAL 84 18.726 -9.069 -9.069 638 HB VAL 84 HB VAL 84 20.520 -7.486 -7.486 639 1HG1 VAL 84 HG12 VAL 84 18.374 -6.636 -6.636 640 2HG1 VAL 84 HG11 VAL 84 17.762 -6.465 -6.465 641 3HG1 VAL 84 HG13 VAL 84 19.129 -5.493 -5.493 642 1HG2 VAL 84 HG21 VAL 84 19.145 -7.803 -7.803 643 2HG2 VAL 84 HG23 VAL 84 20.867 -7.830 -7.830 644 3HG2 VAL 84 HG22 VAL 84 19.989 -6.305 -6.305 645 H LYS 85 HN LYS 85 19.545 -9.643 -9.643 646 HA LYS 85 HA LYS 85 22.058 -10.836 -10.836 647 1HB LYS 85 HB2 LYS 85 19.786 -11.215 -11.215 648 2HB LYS 85 HB1 LYS 85 21.276 -12.122 -12.122 649 1HG LYS 85 HG2 LYS 85 22.119 -9.469 -9.469 650 2HG LYS 85 HG1 LYS 85 20.747 -9.333 -9.333 651 1HD LYS 85 HD2 LYS 85 22.594 -9.602 -9.602 652 2HD LYS 85 HD1 LYS 85 21.899 -11.220 -11.220 653 1HE LYS 85 HE2 LYS 85 23.531 -11.699 -11.699 654 2HE LYS 85 HE1 LYS 85 24.316 -10.171 -10.171 655 1HZ LYS 85 HZ1 LYS 85 24.523 -11.022 -11.022 656 2HZ LYS 85 HZ3 LYS 85 23.980 -12.531 -12.531 657 3HZ LYS 85 HZ2 LYS 85 25.435 -11.885 -11.885 658 H LEU 86 HN LEU 86 19.145 -12.884 -12.884 659 HA LEU 86 HA LEU 86 20.433 -15.177 -15.177 660 1HB LEU 86 HB2 LEU 86 18.651 -16.325 -16.325 661 2HB LEU 86 HB1 LEU 86 18.240 -14.812 -14.812 662 HG LEU 86 HG LEU 86 16.276 -15.601 -15.601 663 1HD1 LEU 86 HD13 LEU 86 17.195 -13.130 -13.130 664 2HD1 LEU 86 HD12 LEU 86 17.021 -13.672 -13.672 665 3HD1 LEU 86 HD11 LEU 86 15.634 -13.691 -13.691 666 1HD2 LEU 86 HD22 LEU 86 17.964 -16.833 -16.833 667 2HD2 LEU 86 HD21 LEU 86 16.206 -16.826 -16.826 668 3HD2 LEU 86 HD23 LEU 86 17.111 -15.624 -15.624 669 H LEU 87 HN LEU 87 19.398 -12.466 -12.466 670 HA LEU 87 HA LEU 87 18.228 -13.693 -13.693 671 1HB LEU 87 HB2 LEU 87 18.653 -11.063 -11.063 672 2HB LEU 87 HB1 LEU 87 19.374 -11.129 -11.129 673 HG LEU 87 HG LEU 87 16.570 -12.071 -12.071 674 1HD1 LEU 87 HD11 LEU 87 17.640 -9.412 -9.412 675 2HD1 LEU 87 HD13 LEU 87 15.987 -9.916 -9.916 676 3HD1 LEU 87 HD12 LEU 87 16.514 -9.725 -9.725 677 1HD2 LEU 87 HD21 LEU 87 18.200 -11.728 -11.728 678 2HD2 LEU 87 HD23 LEU 87 17.264 -13.127 -13.127 679 3HD2 LEU 87 HD22 LEU 87 16.439 -11.682 -11.682 680 H LEU 88 HN LEU 88 21.277 -11.758 -11.758 681 HA LEU 88 HA LEU 88 22.176 -12.929 -12.929 682 1HB LEU 88 HB2 LEU 88 24.342 -12.036 -12.036 683 2HB LEU 88 HB1 LEU 88 23.200 -10.878 -10.878 684 HG LEU 88 HG LEU 88 24.949 -11.033 -11.033 685 1HD1 LEU 88 HD12 LEU 88 22.611 -11.170 -11.170 686 2HD1 LEU 88 HD11 LEU 88 22.814 -12.914 -12.914 687 3HD1 LEU 88 HD13 LEU 88 23.829 -11.836 -11.836 688 1HD2 LEU 88 HD22 LEU 88 25.478 -13.510 -13.510 689 2HD2 LEU 88 HD21 LEU 88 26.184 -12.895 -12.895 690 3HD2 LEU 88 HD23 LEU 88 24.771 -13.945 -13.945 691 H SER 89 HN SER 89 21.828 -14.391 -14.391 692 HA SER 89 HA SER 89 23.962 -16.265 -16.265 693 1HB SER 89 HB2 SER 89 22.119 -15.925 -15.925 694 2HB SER 89 HB1 SER 89 21.102 -16.931 -16.931 695 HG SER 89 HG SER 89 23.205 -17.610 -17.610 696 H LYS 90 HN LYS 90 21.392 -15.758 -15.758 697 HA LYS 90 HA LYS 90 21.738 -18.454 -18.454 698 1HB LYS 90 HB2 LYS 90 19.459 -18.242 -18.242 699 2HB LYS 90 HB1 LYS 90 19.437 -16.520 -16.520 700 1HG LYS 90 HG2 LYS 90 19.061 -16.861 -16.861 701 2HG LYS 90 HG1 LYS 90 20.104 -18.277 -18.277 702 1HD LYS 90 HD2 LYS 90 17.678 -18.798 -18.798 703 2HD LYS 90 HD1 LYS 90 18.403 -19.681 -19.681 704 1HE LYS 90 HE2 LYS 90 17.162 -17.054 -17.054 705 2HE LYS 90 HE1 LYS 90 16.063 -18.363 -18.363 706 1HZ LYS 90 HZ1 LYS 90 17.740 -19.616 -19.616 707 2HZ LYS 90 HZ3 LYS 90 17.750 -18.061 -18.061 708 3HZ LYS 90 HZ2 LYS 90 16.282 -18.897 -18.897 709 H GLY 91 HN GLY 91 22.116 -15.037 -15.037 710 1HA GLY 91 HA2 GLY 91 23.924 -14.882 -14.882 711 2HA GLY 91 HA1 GLY 91 22.486 -15.253 -15.253 712 H ALA 92 HN ALA 92 21.038 -13.629 -13.629 713 HA ALA 92 HA ALA 92 20.418 -11.376 -11.376 714 1HB ALA 92 HB3 ALA 92 20.055 -12.169 -12.169 715 2HB ALA 92 HB2 ALA 92 20.559 -10.481 -10.481 716 3HB ALA 92 HB1 ALA 92 19.138 -10.978 -10.978 717 H ASP 93 HN ASP 93 23.539 -11.989 -11.989 718 HA ASP 93 HA ASP 93 25.430 -10.615 -10.615 719 1HB ASP 93 HB2 ASP 93 24.467 -10.298 -10.298 720 2HB ASP 93 HB1 ASP 93 24.259 -8.643 -8.643 721 H LYS 94 HN LYS 94 24.638 -7.520 -7.520 722 HA LYS 94 HA LYS 94 23.115 -6.846 -6.846 723 1HB LYS 94 HB2 LYS 94 24.821 -5.563 -5.563 724 2HB LYS 94 HB1 LYS 94 25.428 -7.197 -7.197 725 1HG LYS 94 HG2 LYS 94 26.029 -4.983 -4.983 726 2HG LYS 94 HG1 LYS 94 27.025 -5.248 -5.248 727 1HD LYS 94 HD2 LYS 94 28.115 -6.930 -6.930 728 2HD LYS 94 HD1 LYS 94 26.600 -7.790 -7.790 729 1HE LYS 94 HE2 LYS 94 26.264 -6.823 -6.823 730 2HE LYS 94 HE1 LYS 94 27.378 -5.496 -5.496 731 1HZ LYS 94 HZ3 LYS 94 29.190 -7.137 -7.137 732 2HZ LYS 94 HZ2 LYS 94 28.088 -8.347 -8.347 733 3HZ LYS 94 HZ1 LYS 94 28.424 -7.057 -7.057 734 H THR 95 HN THR 95 24.835 -5.930 -5.930 735 HA THR 95 HA THR 95 23.035 -3.566 -3.566 736 HB THR 95 HB THR 95 25.870 -3.519 -3.519 737 HG1 THR 95 HG1 THR 95 26.631 -2.921 -2.921 738 1HG2 THR 95 HG22 THR 95 23.981 -1.886 -1.886 739 2HG2 THR 95 HG21 THR 95 24.164 -1.230 -1.230 740 3HG2 THR 95 HG23 THR 95 25.521 -1.188 -1.188 741 H VAL 96 HN VAL 96 22.629 -6.156 -6.156 742 HA VAL 96 HA VAL 96 23.645 -6.525 -6.525 743 HB VAL 96 HB VAL 96 22.278 -8.062 -8.062 744 1HG1 VAL 96 HG13 VAL 96 20.192 -7.590 -7.590 745 2HG1 VAL 96 HG12 VAL 96 20.941 -8.216 -8.216 746 3HG1 VAL 96 HG11 VAL 96 20.649 -9.289 -9.289 747 1HG2 VAL 96 HG21 VAL 96 24.322 -8.669 -8.669 748 2HG2 VAL 96 HG23 VAL 96 23.095 -9.937 -9.937 749 3HG2 VAL 96 HG22 VAL 96 23.316 -8.894 -8.894 750 H LYS 97 HN LYS 97 21.220 -4.489 -4.489 751 HA LYS 97 HA LYS 97 20.337 -3.946 -3.946 752 1HB LYS 97 HB2 LYS 97 18.755 -5.719 -5.719 753 2HB LYS 97 HB1 LYS 97 17.832 -4.280 -4.280 754 1HG LYS 97 HG2 LYS 97 19.381 -5.717 -5.717 755 2HG LYS 97 HG1 LYS 97 17.838 -6.370 -6.370 756 1HD LYS 97 HD2 LYS 97 17.192 -4.959 -4.959 757 2HD LYS 97 HD1 LYS 97 16.952 -3.931 -3.931 758 1HE LYS 97 HE2 LYS 97 18.878 -2.663 -2.663 759 2HE LYS 97 HE1 LYS 97 19.598 -3.918 -3.918 760 1HZ LYS 97 HZ1 LYS 97 17.518 -3.491 -3.491 761 2HZ LYS 97 HZ3 LYS 97 17.479 -1.997 -1.997 762 3HZ LYS 97 HZ2 LYS 97 18.850 -2.440 -2.440 763 H GLY 98 HN GLY 98 21.143 -2.784 -2.784 764 1HA GLY 98 HA2 GLY 98 19.091 -0.738 -0.738 765 2HA GLY 98 HA1 GLY 98 20.658 -0.776 -0.776 766 HA PRO 99 HA PRO 99 20.552 2.524 2.524 767 1HB PRO 99 HB2 PRO 99 21.739 4.338 4.338 768 2HB PRO 99 HB1 PRO 99 20.111 4.420 4.420 769 1HG PRO 99 HG2 PRO 99 20.927 3.594 3.594 770 2HG PRO 99 HG1 PRO 99 19.302 3.943 3.943 771 1HD PRO 99 HD2 PRO 99 20.328 1.379 1.379 772 2HD PRO 99 HD1 PRO 99 18.843 1.709 1.709 773 H ASP 100 HN ASP 100 22.972 3.122 3.122 774 HA ASP 100 HA ASP 100 25.023 1.830 1.830 775 1HB ASP 100 HB2 ASP 100 24.890 4.447 4.447 776 2HB ASP 100 HB1 ASP 100 25.603 4.355 4.355 777 H GLY 101 HN GLY 101 26.955 2.901 2.901 778 1HA GLY 101 HA2 GLY 101 27.108 0.594 0.594 779 2HA GLY 101 HA1 GLY 101 27.939 2.108 2.108 780 H LEU 102 HN LEU 102 24.693 2.801 2.801 781 HA LEU 102 HA LEU 102 24.293 3.651 3.651 782 1HB LEU 102 HB2 LEU 102 22.694 3.990 3.990 783 2HB LEU 102 HB1 LEU 102 22.114 2.346 2.346 784 HG LEU 102 HG LEU 102 21.978 4.644 4.644 785 1HD1 LEU 102 HD11 LEU 102 19.886 3.123 3.123 786 2HD1 LEU 102 HD13 LEU 102 19.514 4.226 4.226 787 3HD1 LEU 102 HD12 LEU 102 20.286 4.836 4.836 788 1HD2 LEU 102 HD21 LEU 102 21.366 1.711 1.711 789 2HD2 LEU 102 HD23 LEU 102 22.259 2.761 2.761 790 3HD2 LEU 102 HD22 LEU 102 20.511 2.911 2.911 791 H THR 103 HN THR 103 22.848 0.592 0.592 792 HA THR 103 HA THR 103 22.008 -1.055 -1.055 793 HB THR 103 HB THR 103 23.811 -2.207 -2.207 794 HG1 THR 103 HG1 THR 103 23.431 -2.345 -2.345 795 1HG2 THR 103 HG21 THR 103 25.522 -0.263 -0.263 796 2HG2 THR 103 HG23 THR 103 26.191 -1.735 -1.735 797 3HG2 THR 103 HG22 THR 103 25.456 -0.518 -0.518 798 H ALA 104 HN ALA 104 24.738 -1.194 -1.194 799 HA ALA 104 HA ALA 104 23.195 -0.043 -0.043 800 1HB ALA 104 HB2 ALA 104 25.690 -1.728 -1.728 801 2HB ALA 104 HB1 ALA 104 25.132 -1.008 -1.008 802 3HB ALA 104 HB3 ALA 104 24.119 -2.173 -2.173 803 H LEU 105 HN LEU 105 26.031 0.678 0.678 804 HA LEU 105 HA LEU 105 27.465 2.372 2.372 805 1HB LEU 105 HB2 LEU 105 27.069 2.913 2.913 806 2HB LEU 105 HB1 LEU 105 28.469 3.289 3.289 807 HG LEU 105 HG LEU 105 27.509 0.545 0.545 808 1HD1 LEU 105 HD13 LEU 105 28.798 1.850 1.850 809 2HD1 LEU 105 HD12 LEU 105 30.103 2.031 2.031 810 3HD1 LEU 105 HD11 LEU 105 29.686 0.431 0.431 811 1HD2 LEU 105 HD21 LEU 105 29.605 1.409 1.409 812 2HD2 LEU 105 HD23 LEU 105 28.280 0.271 0.271 813 3HD2 LEU 105 HD22 LEU 105 29.649 -0.172 -0.172 814 H GLU 106 HN GLU 106 25.470 3.771 3.771 815 HA GLU 106 HA GLU 106 25.305 6.259 6.259 816 1HB GLU 106 HB2 GLU 106 23.711 5.498 5.498 817 2HB GLU 106 HB1 GLU 106 24.186 7.103 7.103 818 1HG GLU 106 HG2 GLU 106 26.215 4.972 4.972 819 2HG GLU 106 HG1 GLU 106 25.563 6.075 6.075 820 H ALA 107 HN ALA 107 23.742 3.500 3.500 821 HA ALA 107 HA ALA 107 21.011 4.491 4.491 822 1HB ALA 107 HB3 ALA 107 22.365 2.021 2.021 823 2HB ALA 107 HB2 ALA 107 20.691 2.401 2.401 824 3HB ALA 107 HB1 ALA 107 21.167 2.153 2.153 825 H THR 108 HN THR 108 23.450 3.774 3.774 826 HA THR 108 HA THR 108 22.220 5.941 5.941 827 HB THR 108 HB THR 108 20.783 3.986 3.986 828 HG1 THR 108 HG1 THR 108 21.415 3.867 3.867 829 1HG2 THR 108 HG22 THR 108 22.782 2.401 2.401 830 2HG2 THR 108 HG21 THR 108 23.190 2.669 2.669 831 3HG2 THR 108 HG23 THR 108 21.641 1.948 1.948 832 H ASP 109 HN ASP 109 23.162 4.756 4.756 833 HA ASP 109 HA ASP 109 26.088 4.670 4.670 834 1HB ASP 109 HB2 ASP 109 25.335 7.066 7.066 835 2HB ASP 109 HB1 ASP 109 24.796 6.516 6.516 836 H ASN 110 HN ASN 110 23.291 3.415 3.415 837 HA ASN 110 HA ASN 110 24.459 2.667 2.667 838 1HB ASN 110 HB2 ASN 110 22.489 1.299 1.299 839 2HB ASN 110 HB1 ASN 110 21.966 2.833 2.833 840 1HD2 ASN 110 HD21 ASN 110 23.257 1.697 1.697 841 2HD2 ASN 110 HD22 ASN 110 22.010 0.741 0.741 842 H GLN 111 HN GLN 111 25.549 0.773 0.773 843 HA GLN 111 HA GLN 111 26.898 -0.464 -0.464 844 1HB GLN 111 HB2 GLN 111 28.097 -0.220 -0.220 845 2HB GLN 111 HB1 GLN 111 26.821 -0.941 -0.941 846 1HG GLN 111 HG2 GLN 111 27.329 -3.130 -3.130 847 2HG GLN 111 HG1 GLN 111 28.283 -2.523 -2.523 848 1HE2 GLN 111 HE21 GLN 111 30.114 -0.864 -0.864 849 2HE2 GLN 111 HE22 GLN 111 31.023 -1.522 -1.522 850 H ALA 112 HN ALA 112 23.757 -1.122 -1.122 851 HA ALA 112 HA ALA 112 23.971 -4.050 -4.050 852 1HB ALA 112 HB3 ALA 112 21.535 -2.251 -2.251 853 2HB ALA 112 HB2 ALA 112 21.496 -4.013 -4.013 854 3HB ALA 112 HB1 ALA 112 22.152 -3.083 -3.083 855 H ILE 113 HN ILE 113 22.794 -1.370 -1.370 856 HA ILE 113 HA ILE 113 22.185 -2.853 -2.853 857 HB ILE 113 HB ILE 113 22.750 0.014 0.014 858 1HG1 ILE 113 HG12 ILE 113 20.505 0.263 0.263 859 2HG1 ILE 113 HG11 ILE 113 20.398 -1.492 -1.492 860 1HG2 ILE 113 HG23 ILE 113 22.800 -1.153 -1.153 861 2HG2 ILE 113 HG22 ILE 113 22.240 0.498 0.498 862 3HG2 ILE 113 HG21 ILE 113 23.873 0.038 0.038 863 1HD1 ILE 113 HD11 ILE 113 21.044 -0.925 -0.925 864 2HD1 ILE 113 HD13 ILE 113 20.157 0.539 0.539 865 3HD1 ILE 113 HD12 ILE 113 19.384 -1.036 -1.036 866 H LYS 114 HN LYS 114 24.870 -0.879 -0.879 867 HA LYS 114 HA LYS 114 26.534 -1.229 -1.229 868 1HB LYS 114 HB2 LYS 114 27.583 -1.050 -1.050 869 2HB LYS 114 HB1 LYS 114 28.268 -0.356 -0.356 870 1HG LYS 114 HG2 LYS 114 25.517 0.577 0.577 871 2HG LYS 114 HG1 LYS 114 26.755 1.064 1.064 872 1HD LYS 114 HD2 LYS 114 26.924 2.809 2.809 873 2HD LYS 114 HD1 LYS 114 28.044 1.700 1.700 874 1HE LYS 114 HE2 LYS 114 26.186 0.864 0.864 875 2HE LYS 114 HE1 LYS 114 25.104 2.028 2.028 876 1HZ LYS 114 HZ2 LYS 114 27.622 2.874 2.874 877 2HZ LYS 114 HZ1 LYS 114 26.192 2.684 2.684 878 3HZ LYS 114 HZ3 LYS 114 26.254 3.809 3.809 879 H ALA 115 HN ALA 115 25.422 -3.474 -3.474 880 HA ALA 115 HA ALA 115 27.640 -5.293 -5.293 881 1HB ALA 115 HB1 ALA 115 25.481 -5.309 -5.309 882 2HB ALA 115 HB3 ALA 115 24.762 -6.190 -6.190 883 3HB ALA 115 HB2 ALA 115 26.159 -6.856 -6.856 884 H LEU 116 HN LEU 116 24.840 -4.927 -4.927 885 HA LEU 116 HA LEU 116 25.563 -7.266 -7.266 886 1HB LEU 116 HB2 LEU 116 23.674 -5.015 -5.015 887 2HB LEU 116 HB1 LEU 116 24.332 -5.542 -5.542 888 HG LEU 116 HG LEU 116 22.859 -7.251 -7.251 889 1HD1 LEU 116 HD13 LEU 116 22.246 -6.306 -6.306 890 2HD1 LEU 116 HD12 LEU 116 21.322 -7.562 -7.562 891 3HD1 LEU 116 HD11 LEU 116 21.354 -5.923 -5.923 892 1HD2 LEU 116 HD23 LEU 116 24.660 -7.978 -7.978 893 2HD2 LEU 116 HD22 LEU 116 24.204 -8.917 -8.917 894 3HD2 LEU 116 HD21 LEU 116 23.115 -8.826 -8.826 895 H LEU 117 HN LEU 117 26.847 -4.105 -4.105 896 HA LEU 117 HA LEU 117 28.347 -4.254 -4.254 897 1HB LEU 117 HB2 LEU 117 28.433 -2.006 -2.006 898 2HB LEU 117 HB1 LEU 117 27.510 -2.174 -2.174 899 HG LEU 117 HG LEU 117 29.766 -2.601 -2.601 900 1HD1 LEU 117 HD11 LEU 117 30.718 -2.520 -2.520 901 2HD1 LEU 117 HD13 LEU 117 31.217 -0.984 -0.984 902 3HD1 LEU 117 HD12 LEU 117 31.697 -2.497 -2.497 903 1HD2 LEU 117 HD21 LEU 117 28.332 -0.377 -0.377 904 2HD2 LEU 117 HD23 LEU 117 29.949 -0.325 -0.325 905 3HD2 LEU 117 HD22 LEU 117 29.690 0.162 0.162 906 H GLN 118 HN GLN 118 28.403 -5.820 -5.820 907 HA GLN 118 HA GLN 118 31.154 -5.710 -5.710 908 1HB GLN 118 HB2 GLN 118 29.299 -6.496 -6.496 909 2HB GLN 118 HB1 GLN 118 29.118 -7.889 -7.889 910 1HG GLN 118 HG2 GLN 118 31.371 -8.597 -8.597 911 2HG GLN 118 HG1 GLN 118 31.645 -7.178 -7.178 912 1HE2 GLN 118 HE21 GLN 118 29.063 -7.183 -7.183 913 2HE2 GLN 118 HE22 GLN 118 29.007 -8.555 -8.555 Start of MODEL 41 1 1H MET 1 HT3 MET 1 -12.077 -7.155 -7.155 2 2H MET 1 HT2 MET 1 -13.374 -6.064 -6.064 3 3H MET 1 HT1 MET 1 -11.874 -5.546 -5.546 4 HA MET 1 HA MET 1 -12.606 -5.998 -5.998 5 1HB MET 1 HB2 MET 1 -14.913 -6.159 -6.159 6 2HB MET 1 HB1 MET 1 -14.846 -7.815 -7.815 7 1HG MET 1 HG2 MET 1 -14.840 -5.276 -5.276 8 2HG MET 1 HG1 MET 1 -16.092 -6.504 -6.504 9 1HE MET 1 HE3 MET 1 -16.019 -6.192 -6.192 10 2HE MET 1 HE2 MET 1 -14.953 -7.026 -7.026 11 3HE MET 1 HE1 MET 1 -14.482 -5.456 -5.456 12 H CYS 2 HN CYS 2 -10.605 -7.562 -7.562 13 HA CYS 2 HA CYS 2 -10.791 -9.968 -9.968 14 1HB CYS 2 HB2 CYS 2 -10.097 -11.432 -11.432 15 2HB CYS 2 HB1 CYS 2 -11.784 -10.879 -10.879 16 HG CYS 2 HG CYS 2 -11.003 -10.256 -10.256 17 H ASP 3 HN ASP 3 -8.960 -8.027 -8.027 18 HA ASP 3 HA ASP 3 -6.423 -9.127 -9.127 19 1HB ASP 3 HB2 ASP 3 -6.877 -6.145 -6.145 20 2HB ASP 3 HB1 ASP 3 -5.523 -7.011 -7.011 21 H LYS 4 HN LYS 4 -8.125 -7.067 -7.067 22 HA LYS 4 HA LYS 4 -6.116 -6.399 -6.399 23 1HB LYS 4 HB2 LYS 4 -8.927 -7.269 -7.269 24 2HB LYS 4 HB1 LYS 4 -7.856 -6.344 -6.344 25 1HG LYS 4 HG2 LYS 4 -7.744 -4.538 -4.538 26 2HG LYS 4 HG1 LYS 4 -8.779 -5.462 -5.462 27 1HD LYS 4 HD2 LYS 4 -10.544 -5.502 -5.502 28 2HD LYS 4 HD1 LYS 4 -9.534 -4.437 -4.437 29 1HE LYS 4 HE2 LYS 4 -11.162 -3.104 -3.104 30 2HE LYS 4 HE1 LYS 4 -9.547 -2.777 -2.777 31 1HZ LYS 4 HZ3 LYS 4 -11.255 -4.851 -4.851 32 2HZ LYS 4 HZ2 LYS 4 -11.345 -3.217 -3.217 33 3HZ LYS 4 HZ1 LYS 4 -9.883 -4.091 -4.091 34 H GLU 5 HN GLU 5 -8.229 -9.251 -9.251 35 HA GLU 5 HA GLU 5 -6.865 -10.509 -10.509 36 1HB GLU 5 HB2 GLU 5 -8.973 -11.269 -11.269 37 2HB GLU 5 HB1 GLU 5 -7.922 -11.996 -11.996 38 1HG GLU 5 HG2 GLU 5 -6.859 -13.392 -13.392 39 2HG GLU 5 HG1 GLU 5 -7.746 -12.591 -12.591 40 H PHE 6 HN PHE 6 -5.784 -10.049 -10.049 41 HA PHE 6 HA PHE 6 -3.832 -12.211 -12.211 42 1HB PHE 6 HB2 PHE 6 -4.913 -10.880 -10.880 43 2HB PHE 6 HB1 PHE 6 -3.554 -9.772 -9.772 44 HD1 PHE 6 HD2 PHE 6 -1.629 -12.183 -12.183 45 HD2 PHE 6 HD1 PHE 6 -4.147 -11.511 -11.511 46 HE1 PHE 6 HE2 PHE 6 -0.234 -13.743 -13.743 47 HE2 PHE 6 HE1 PHE 6 -2.747 -13.075 -13.075 48 HZ PHE 6 HZ PHE 6 -0.784 -14.196 -14.196 49 H MET 7 HN MET 7 -3.101 -8.692 -8.692 50 HA MET 7 HA MET 7 -0.461 -8.843 -8.843 51 1HB MET 7 HB2 MET 7 -0.493 -6.486 -6.486 52 2HB MET 7 HB1 MET 7 -1.684 -6.816 -6.816 53 1HG MET 7 HG2 MET 7 -3.359 -6.925 -6.925 54 2HG MET 7 HG1 MET 7 -2.131 -5.920 -5.920 55 1HE MET 7 HE3 MET 7 -4.041 -6.712 -6.712 56 2HE MET 7 HE2 MET 7 -4.896 -5.248 -5.248 57 3HE MET 7 HE1 MET 7 -3.311 -5.589 -5.589 58 H TRP 8 HN TRP 8 -3.470 -8.840 -8.840 59 HA TRP 8 HA TRP 8 -2.696 -8.104 -8.104 60 1HB TRP 8 HB2 TRP 8 -4.969 -9.068 -9.068 61 2HB TRP 8 HB1 TRP 8 -4.318 -10.628 -10.628 62 HD1 TRP 8 HD1 TRP 8 -4.920 -11.282 -11.282 63 HE1 TRP 8 HE1 TRP 8 -5.475 -10.021 -10.021 64 HE3 TRP 8 HE3 TRP 8 -4.369 -6.442 -6.442 65 HZ2 TRP 8 HZ2 TRP 8 -5.674 -7.335 -7.335 66 HZ3 TRP 8 HZ3 TRP 8 -4.758 -4.557 -4.557 67 HH2 TRP 8 HH2 TRP 8 -5.398 -4.997 -4.997 68 H ALA 9 HN ALA 9 -1.872 -11.095 -11.095 69 HA ALA 9 HA ALA 9 -0.645 -12.230 -12.230 70 1HB ALA 9 HB2 ALA 9 -1.737 -13.542 -13.542 71 2HB ALA 9 HB1 ALA 9 -0.318 -13.147 -13.147 72 3HB ALA 9 HB3 ALA 9 -0.141 -14.117 -14.117 73 H LEU 10 HN LEU 10 0.622 -11.211 -11.211 74 HA LEU 10 HA LEU 10 3.337 -11.313 -11.313 75 1HB LEU 10 HB2 LEU 10 1.814 -9.187 -9.187 76 2HB LEU 10 HB1 LEU 10 3.550 -9.460 -9.460 77 HG LEU 10 HG LEU 10 2.042 -11.950 -11.950 78 1HD1 LEU 10 HD11 LEU 10 1.316 -9.555 -9.555 79 2HD1 LEU 10 HD13 LEU 10 1.395 -11.160 -11.160 80 3HD1 LEU 10 HD12 LEU 10 0.298 -10.862 -10.862 81 1HD2 LEU 10 HD23 LEU 10 4.443 -11.436 -11.436 82 2HD2 LEU 10 HD22 LEU 10 3.529 -12.120 -12.120 83 3HD2 LEU 10 HD21 LEU 10 3.866 -10.385 -10.385 84 H LYS 11 HN LYS 11 0.925 -9.250 -9.250 85 HA LYS 11 HA LYS 11 2.747 -7.196 -7.196 86 1HB LYS 11 HB2 LYS 11 0.644 -6.530 -6.530 87 2HB LYS 11 HB1 LYS 11 -0.199 -7.702 -7.702 88 1HG LYS 11 HG2 LYS 11 0.076 -6.396 -6.396 89 2HG LYS 11 HG1 LYS 11 1.465 -5.548 -5.548 90 1HD LYS 11 HD2 LYS 11 -0.514 -4.082 -4.082 91 2HD LYS 11 HD1 LYS 11 0.021 -4.320 -4.320 92 1HE LYS 11 HE2 LYS 11 -1.710 -5.997 -5.997 93 2HE LYS 11 HE1 LYS 11 -2.193 -5.883 -5.883 94 1HZ LYS 11 HZ2 LYS 11 -2.636 -3.492 -3.492 95 2HZ LYS 11 HZ1 LYS 11 -2.433 -3.792 -3.792 96 3HZ LYS 11 HZ3 LYS 11 -3.690 -4.555 -4.555 97 H ASN 12 HN ASN 12 0.080 -9.097 -9.097 98 HA ASN 12 HA ASN 12 1.192 -8.675 -8.675 99 1HB ASN 12 HB2 ASN 12 -1.301 -8.852 -8.852 100 2HB ASN 12 HB1 ASN 12 -1.038 -10.601 -10.601 101 1HD2 ASN 12 HD21 ASN 12 -2.778 -9.471 -9.471 102 2HD2 ASN 12 HD22 ASN 12 -2.083 -9.655 -9.655 103 H GLY 13 HN GLY 13 2.229 -10.726 -10.726 104 1HA GLY 13 HA2 GLY 13 3.710 -12.523 -12.523 105 2HA GLY 13 HA1 GLY 13 3.531 -12.404 -12.404 106 H ASP 14 HN ASP 14 0.574 -12.698 -12.698 107 HA ASP 14 HA ASP 14 0.047 -15.254 -15.254 108 1HB ASP 14 HB2 ASP 14 -1.511 -14.287 -14.287 109 2HB ASP 14 HB1 ASP 14 -2.059 -15.140 -15.140 110 H LEU 15 HN LEU 15 2.285 -15.592 -15.592 111 HA LEU 15 HA LEU 15 2.802 -16.275 -16.275 112 1HB LEU 15 HB2 LEU 15 4.427 -16.278 -16.278 113 2HB LEU 15 HB1 LEU 15 3.634 -17.642 -17.642 114 HG LEU 15 HG LEU 15 5.727 -18.152 -18.152 115 1HD1 LEU 15 HD13 LEU 15 3.418 -19.691 -19.691 116 2HD1 LEU 15 HD12 LEU 15 3.819 -19.842 -19.842 117 3HD1 LEU 15 HD11 LEU 15 5.012 -20.249 -20.249 118 1HD2 LEU 15 HD21 LEU 15 4.988 -16.538 -16.538 119 2HD2 LEU 15 HD23 LEU 15 5.752 -18.044 -18.044 120 3HD2 LEU 15 HD22 LEU 15 4.000 -17.877 -17.877 121 H ASP 16 HN ASP 16 0.742 -17.936 -17.936 122 HA ASP 16 HA ASP 16 0.619 -20.460 -20.460 123 1HB ASP 16 HB2 ASP 16 -1.387 -18.976 -18.976 124 2HB ASP 16 HB1 ASP 16 -1.591 -20.639 -20.639 125 H GLU 17 HN GLU 17 -0.964 -17.372 -17.372 126 HA GLU 17 HA GLU 17 -2.957 -18.406 -18.406 127 1HB GLU 17 HB2 GLU 17 -2.095 -15.703 -15.703 128 2HB GLU 17 HB1 GLU 17 -3.119 -15.796 -15.796 129 1HG GLU 17 HG2 GLU 17 -4.733 -17.182 -17.182 130 2HG GLU 17 HG1 GLU 17 -3.731 -16.925 -16.925 131 H VAL 18 HN VAL 18 0.105 -16.536 -16.536 132 HA VAL 18 HA VAL 18 -0.142 -16.399 -16.399 133 HB VAL 18 HB VAL 18 2.606 -16.453 -16.453 134 1HG1 VAL 18 HG11 VAL 18 1.223 -14.611 -14.611 135 2HG1 VAL 18 HG13 VAL 18 0.976 -14.009 -14.009 136 3HG1 VAL 18 HG12 VAL 18 2.614 -14.105 -14.105 137 1HG2 VAL 18 HG22 VAL 18 1.910 -16.838 -16.838 138 2HG2 VAL 18 HG21 VAL 18 3.196 -15.719 -15.719 139 3HG2 VAL 18 HG23 VAL 18 1.598 -15.101 -15.101 140 H LYS 19 HN LYS 19 1.013 -18.774 -18.774 141 HA LYS 19 HA LYS 19 2.423 -20.437 -20.437 142 1HB LYS 19 HB2 LYS 19 2.388 -20.522 -20.522 143 2HB LYS 19 HB1 LYS 19 0.801 -21.265 -21.265 144 1HG LYS 19 HG2 LYS 19 1.628 -23.282 -23.282 145 2HG LYS 19 HG1 LYS 19 3.040 -22.515 -22.515 146 1HD LYS 19 HD2 LYS 19 2.738 -22.484 -22.484 147 2HD LYS 19 HD1 LYS 19 3.317 -23.936 -23.936 148 1HE LYS 19 HE2 LYS 19 4.599 -21.350 -21.350 149 2HE LYS 19 HE1 LYS 19 5.008 -22.011 -22.011 150 1HZ LYS 19 HZ1 LYS 19 5.041 -23.800 -23.800 151 2HZ LYS 19 HZ3 LYS 19 6.322 -22.716 -22.716 152 3HZ LYS 19 HZ2 LYS 19 5.966 -23.854 -23.854 153 H ASP 20 HN ASP 20 -0.971 -20.047 -20.047 154 HA ASP 20 HA ASP 20 -1.831 -22.449 -22.449 155 1HB ASP 20 HB2 ASP 20 -3.229 -20.957 -20.957 156 2HB ASP 20 HB1 ASP 20 -3.349 -19.853 -19.853 157 H TYR 21 HN TYR 21 -1.206 -19.155 -19.155 158 HA TYR 21 HA TYR 21 -2.210 -19.425 -19.425 159 1HB TYR 21 HB2 TYR 21 -0.055 -17.696 -17.696 160 2HB TYR 21 HB1 TYR 21 -0.448 -17.592 -17.592 161 HD1 TYR 21 HD1 TYR 21 -1.963 -17.383 -17.383 162 HD2 TYR 21 HD2 TYR 21 -2.339 -16.344 -16.344 163 HE1 TYR 21 HE1 TYR 21 -3.953 -15.971 -15.971 164 HE2 TYR 21 HE2 TYR 21 -4.286 -14.937 -14.937 165 HH TYR 21 HH TYR 21 -5.188 -14.207 -14.207 166 H VAL 22 HN VAL 22 1.221 -19.834 -19.834 167 HA VAL 22 HA VAL 22 2.021 -20.752 -20.752 168 HB VAL 22 HB VAL 22 4.129 -20.684 -20.684 169 1HG1 VAL 22 HG11 VAL 22 2.947 -18.930 -18.930 170 2HG1 VAL 22 HG13 VAL 22 2.769 -20.084 -20.084 171 3HG1 VAL 22 HG12 VAL 22 4.382 -19.586 -19.586 172 1HG2 VAL 22 HG22 VAL 22 3.153 -22.503 -22.503 173 2HG2 VAL 22 HG21 VAL 22 4.007 -23.005 -23.005 174 3HG2 VAL 22 HG23 VAL 22 4.830 -22.017 -22.017 175 H ALA 23 HN ALA 23 0.380 -22.288 -22.288 176 HA ALA 23 HA ALA 23 1.059 -24.993 -24.993 177 1HB ALA 23 HB2 ALA 23 -0.625 -23.871 -23.871 178 2HB ALA 23 HB1 ALA 23 -1.809 -24.122 -24.122 179 3HB ALA 23 HB3 ALA 23 -0.956 -25.491 -25.491 180 H LYS 24 HN LYS 24 -0.547 -22.708 -22.708 181 HA LYS 24 HA LYS 24 -2.034 -24.378 -24.378 182 1HB LYS 24 HB2 LYS 24 -0.673 -21.707 -21.707 183 2HB LYS 24 HB1 LYS 24 -1.532 -22.478 -22.478 184 1HG LYS 24 HG2 LYS 24 -3.056 -22.285 -22.285 185 2HG LYS 24 HG1 LYS 24 -2.697 -20.746 -20.746 186 1HD LYS 24 HD2 LYS 24 -4.833 -21.456 -21.456 187 2HD LYS 24 HD1 LYS 24 -3.655 -21.718 -21.718 188 1HE LYS 24 HE2 LYS 24 -4.317 -23.941 -23.941 189 2HE LYS 24 HE1 LYS 24 -5.369 -23.601 -23.601 190 1HZ LYS 24 HZ3 LYS 24 -2.848 -23.589 -23.589 191 2HZ LYS 24 HZ2 LYS 24 -2.845 -24.886 -24.886 192 3HZ LYS 24 HZ1 LYS 24 -3.996 -24.822 -24.822 193 H GLY 25 HN GLY 25 0.742 -22.660 -22.660 194 1HA GLY 25 HA2 GLY 25 2.334 -25.035 -25.035 195 2HA GLY 25 HA1 GLY 25 1.595 -24.431 -24.431 196 H GLU 26 HN GLU 26 3.380 -23.262 -23.262 197 HA GLU 26 HA GLU 26 4.781 -21.355 -21.355 198 1HB GLU 26 HB2 GLU 26 6.817 -21.764 -21.764 199 2HB GLU 26 HB1 GLU 26 6.489 -22.905 -22.905 200 1HG GLU 26 HG2 GLU 26 5.254 -24.349 -24.349 201 2HG GLU 26 HG1 GLU 26 5.573 -23.187 -23.187 202 H ASP 27 HN ASP 27 3.573 -19.635 -19.635 203 HA ASP 27 HA ASP 27 4.240 -18.532 -18.532 204 1HB ASP 27 HB2 ASP 27 1.845 -19.459 -19.459 205 2HB ASP 27 HB1 ASP 27 1.537 -18.160 -18.160 206 H VAL 28 HN VAL 28 5.448 -18.161 -18.161 207 HA VAL 28 HA VAL 28 4.532 -15.826 -15.826 208 HB VAL 28 HB VAL 28 6.965 -15.696 -15.696 209 1HG1 VAL 28 HG12 VAL 28 5.209 -16.955 -16.955 210 2HG1 VAL 28 HG11 VAL 28 5.578 -18.371 -18.371 211 3HG1 VAL 28 HG13 VAL 28 6.781 -17.726 -17.726 212 1HG2 VAL 28 HG22 VAL 28 7.728 -16.831 -16.831 213 2HG2 VAL 28 HG21 VAL 28 8.504 -17.340 -17.340 214 3HG2 VAL 28 HG23 VAL 28 7.238 -18.345 -18.345 215 H ASN 29 HN ASN 29 3.974 -14.729 -14.729 216 HA ASN 29 HA ASN 29 5.875 -12.616 -12.616 217 1HB ASN 29 HB2 ASN 29 5.055 -14.554 -14.554 218 2HB ASN 29 HB1 ASN 29 5.935 -13.054 -13.054 219 1HD2 ASN 29 HD21 ASN 29 6.210 -16.240 -16.240 220 2HD2 ASN 29 HD22 ASN 29 7.913 -16.278 -16.278 221 H ARG 30 HN ARG 30 3.176 -13.011 -13.011 222 HA ARG 30 HA ARG 30 1.386 -11.841 -11.841 223 1HB ARG 30 HB2 ARG 30 -0.311 -12.237 -12.237 224 2HB ARG 30 HB1 ARG 30 0.354 -13.642 -13.642 225 1HG ARG 30 HG2 ARG 30 1.875 -12.602 -12.602 226 2HG ARG 30 HG1 ARG 30 0.359 -13.373 -13.373 227 1HD ARG 30 HD2 ARG 30 1.389 -15.246 -15.246 228 2HD ARG 30 HD1 ARG 30 2.872 -14.559 -14.559 229 HE ARG 30 HE ARG 30 1.131 -16.352 -16.352 230 1HH1 ARG 30 HH21 ARG 30 2.725 -13.319 -13.319 231 2HH1 ARG 30 HH22 ARG 30 2.598 -13.420 -13.420 232 1HH2 ARG 30 HH11 ARG 30 1.029 -16.523 -16.523 233 2HH2 ARG 30 HH12 ARG 30 1.685 -15.265 -15.265 234 H THR 31 HN THR 31 1.807 -9.597 -9.597 235 HA THR 31 HA THR 31 2.555 -8.002 -8.002 236 HB THR 31 HB THR 31 1.013 -7.091 -7.091 237 HG1 THR 31 HG1 THR 31 3.714 -7.677 -7.677 238 1HG2 THR 31 HG23 THR 31 2.411 -5.693 -5.693 239 2HG2 THR 31 HG22 THR 31 2.575 -5.010 -5.010 240 3HG2 THR 31 HG21 THR 31 0.968 -5.212 -5.212 241 H LEU 32 HN LEU 32 1.177 -8.493 -8.493 242 HA LEU 32 HA LEU 32 -1.716 -8.385 -8.385 243 1HB LEU 32 HB2 LEU 32 -1.836 -8.816 -8.816 244 2HB LEU 32 HB1 LEU 32 -0.616 -9.869 -9.869 245 HG LEU 32 HG LEU 32 0.243 -9.047 -9.047 246 1HD1 LEU 32 HD12 LEU 32 1.814 -9.014 -9.014 247 2HD1 LEU 32 HD11 LEU 32 1.566 -7.272 -7.272 248 3HD1 LEU 32 HD13 LEU 32 2.263 -7.984 -7.984 249 1HD2 LEU 32 HD23 LEU 32 -1.366 -6.896 -6.896 250 2HD2 LEU 32 HD22 LEU 32 0.040 -6.913 -6.913 251 3HD2 LEU 32 HD21 LEU 32 0.125 -6.130 -6.130 252 H GLU 33 HN GLU 33 0.733 -6.028 -6.028 253 HA GLU 33 HA GLU 33 -1.124 -4.169 -4.169 254 1HB GLU 33 HB2 GLU 33 1.212 -3.999 -3.999 255 2HB GLU 33 HB1 GLU 33 1.701 -3.852 -3.852 256 1HG GLU 33 HG2 GLU 33 1.609 -1.694 -1.694 257 2HG GLU 33 HG1 GLU 33 0.783 -1.672 -1.672 258 H GLY 34 HN GLY 34 0.874 -3.482 -3.482 259 1HA GLY 34 HA2 GLY 34 -1.268 -3.164 -3.164 260 2HA GLY 34 HA1 GLY 34 -0.873 -1.601 -1.601 261 H GLY 35 HN GLY 35 1.962 -2.427 -2.427 262 1HA GLY 35 HA2 GLY 35 2.974 -2.837 -2.837 263 2HA GLY 35 HA1 GLY 35 3.191 -1.192 -1.192 264 H ARG 36 HN ARG 36 3.250 -3.729 -3.729 265 HA ARG 36 HA ARG 36 6.271 -3.533 -3.533 266 1HB ARG 36 HB2 ARG 36 4.666 -4.013 -4.013 267 2HB ARG 36 HB1 ARG 36 6.288 -3.328 -3.328 268 1HG ARG 36 HG2 ARG 36 4.968 -1.440 -1.440 269 2HG ARG 36 HG1 ARG 36 3.602 -2.015 -2.015 270 1HD ARG 36 HD2 ARG 36 4.639 -0.212 -0.212 271 2HD ARG 36 HD1 ARG 36 5.063 -1.718 -1.718 272 HE ARG 36 HE ARG 36 7.148 -1.362 -1.362 273 1HH1 ARG 36 HH21 ARG 36 5.569 0.524 0.524 274 2HH1 ARG 36 HH22 ARG 36 6.977 1.447 1.447 275 1HH2 ARG 36 HH11 ARG 36 9.000 -0.186 -0.186 276 2HH2 ARG 36 HH12 ARG 36 8.931 1.011 1.011 277 H LYS 37 HN LYS 37 6.418 -5.426 -5.426 278 HA LYS 37 HA LYS 37 5.303 -7.895 -7.895 279 1HB LYS 37 HB2 LYS 37 7.766 -7.244 -7.244 280 2HB LYS 37 HB1 LYS 37 8.153 -7.763 -7.763 281 1HG LYS 37 HG2 LYS 37 6.586 -9.593 -9.593 282 2HG LYS 37 HG1 LYS 37 8.305 -9.463 -9.463 283 1HD LYS 37 HD2 LYS 37 8.724 -10.122 -10.122 284 2HD LYS 37 HD1 LYS 37 7.038 -10.040 -10.040 285 1HE LYS 37 HE2 LYS 37 6.540 -12.079 -12.079 286 2HE LYS 37 HE1 LYS 37 7.699 -11.862 -11.862 287 1HZ LYS 37 HZ2 LYS 37 8.934 -12.045 -12.045 288 2HZ LYS 37 HZ1 LYS 37 8.128 -13.461 -13.461 289 3HZ LYS 37 HZ3 LYS 37 9.349 -12.806 -12.806 290 HA PRO 38 HA PRO 38 4.271 -8.718 -8.718 291 1HB PRO 38 HB2 PRO 38 4.476 -11.579 -11.579 292 2HB PRO 38 HB1 PRO 38 3.016 -10.584 -10.584 293 1HG PRO 38 HG2 PRO 38 4.255 -11.934 -11.934 294 2HG PRO 38 HG1 PRO 38 2.722 -11.086 -11.086 295 1HD PRO 38 HD2 PRO 38 5.110 -10.242 -10.242 296 2HD PRO 38 HD1 PRO 38 3.646 -9.296 -9.296 297 H LEU 39 HN LEU 39 7.386 -8.863 -8.863 298 HA LEU 39 HA LEU 39 8.393 -10.404 -10.404 299 1HB LEU 39 HB2 LEU 39 9.426 -10.737 -10.737 300 2HB LEU 39 HB1 LEU 39 9.935 -9.080 -9.080 301 HG LEU 39 HG LEU 39 11.662 -9.524 -9.524 302 1HD1 LEU 39 HD11 LEU 39 10.118 -11.873 -11.873 303 2HD1 LEU 39 HD13 LEU 39 11.742 -11.399 -11.399 304 3HD1 LEU 39 HD12 LEU 39 10.385 -10.333 -10.333 305 1HD2 LEU 39 HD23 LEU 39 11.726 -11.076 -11.076 306 2HD2 LEU 39 HD22 LEU 39 12.811 -11.435 -11.435 307 3HD2 LEU 39 HD21 LEU 39 11.329 -12.361 -12.361 308 H HIS 40 HN HIS 40 7.871 -7.210 -7.210 309 HA HIS 40 HA HIS 40 9.763 -5.779 -5.779 310 1HB HIS 40 HB2 HIS 40 8.589 -4.860 -4.860 311 2HB HIS 40 HB1 HIS 40 7.107 -4.809 -4.809 312 HD1 HIS 40 HD1 HIS 40 7.320 -3.347 -3.347 313 HD2 HIS 40 HD2 HIS 40 10.156 -2.583 -2.583 314 HE1 HIS 40 HE1 HIS 40 8.339 -1.112 -1.112 315 H TYR 41 HN TYR 41 6.294 -6.377 -6.377 316 HA TYR 41 HA TYR 41 6.080 -5.123 -5.123 317 1HB TYR 41 HB2 TYR 41 4.210 -7.267 -7.267 318 2HB TYR 41 HB1 TYR 41 3.839 -5.829 -5.829 319 HD1 TYR 41 HD1 TYR 41 4.885 -7.035 -7.035 320 HD2 TYR 41 HD2 TYR 41 3.396 -3.721 -3.721 321 HE1 TYR 41 HE1 TYR 41 4.450 -5.816 -5.816 322 HE2 TYR 41 HE2 TYR 41 2.976 -2.483 -2.483 323 HH TYR 41 HH TYR 41 2.987 -2.569 -2.569 324 H ALA 42 HN ALA 42 6.623 -8.405 -8.405 325 HA ALA 42 HA ALA 42 6.498 -9.714 -9.714 326 1HB ALA 42 HB3 ALA 42 6.572 -10.856 -10.856 327 2HB ALA 42 HB2 ALA 42 8.275 -10.399 -10.399 328 3HB ALA 42 HB1 ALA 42 7.740 -11.519 -11.519 329 H ALA 43 HN ALA 43 9.223 -8.640 -8.640 330 HA ALA 43 HA ALA 43 11.260 -8.818 -8.818 331 1HB ALA 43 HB3 ALA 43 10.826 -6.795 -6.795 332 2HB ALA 43 HB2 ALA 43 12.367 -7.057 -7.057 333 3HB ALA 43 HB1 ALA 43 11.645 -8.350 -8.350 334 H ASP 44 HN ASP 44 9.523 -5.807 -5.807 335 HA ASP 44 HA ASP 44 10.428 -4.283 -4.283 336 1HB ASP 44 HB2 ASP 44 7.982 -4.062 -4.062 337 2HB ASP 44 HB1 ASP 44 8.419 -2.851 -2.851 338 H CYS 45 HN CYS 45 7.812 -6.653 -6.653 339 HA CYS 45 HA CYS 45 7.559 -6.347 -6.347 340 1HB CYS 45 HB2 CYS 45 5.443 -5.249 -5.249 341 2HB CYS 45 HB1 CYS 45 4.946 -5.928 -5.928 342 HG CYS 45 HG CYS 45 6.876 -4.161 -4.161 343 H GLY 46 HN GLY 46 8.294 -8.602 -8.602 344 1HA GLY 46 HA2 GLY 46 5.818 -10.318 -10.318 345 2HA GLY 46 HA1 GLY 46 7.367 -10.664 -10.664 346 H GLN 47 HN GLN 47 7.355 -9.462 -9.462 347 HA GLN 47 HA GLN 47 8.228 -10.511 -10.511 348 1HB GLN 47 HB2 GLN 47 6.473 -12.663 -12.663 349 2HB GLN 47 HB1 GLN 47 7.386 -12.956 -12.956 350 1HG GLN 47 HG2 GLN 47 4.937 -12.075 -12.075 351 2HG GLN 47 HG1 GLN 47 6.175 -11.401 -11.401 352 1HE2 GLN 47 HE21 GLN 47 4.078 -10.712 -10.712 353 2HE2 GLN 47 HE22 GLN 47 4.386 -9.050 -9.050 354 H LEU 48 HN LEU 48 9.402 -10.772 -10.772 355 HA LEU 48 HA LEU 48 11.338 -11.558 -11.558 356 1HB LEU 48 HB2 LEU 48 11.931 -12.215 -12.215 357 2HB LEU 48 HB1 LEU 48 13.082 -12.341 -12.341 358 HG LEU 48 HG LEU 48 13.635 -10.194 -10.194 359 1HD1 LEU 48 HD11 LEU 48 10.870 -9.449 -9.449 360 2HD1 LEU 48 HD13 LEU 48 12.225 -8.354 -8.354 361 3HD1 LEU 48 HD12 LEU 48 12.298 -9.638 -9.638 362 1HD2 LEU 48 HD22 LEU 48 11.112 -10.123 -10.123 363 2HD2 LEU 48 HD21 LEU 48 12.771 -10.281 -10.281 364 3HD2 LEU 48 HD23 LEU 48 12.221 -8.746 -8.746 365 H GLU 49 HN GLU 49 9.086 -13.546 -13.546 366 HA GLU 49 HA GLU 49 10.583 -16.032 -16.032 367 1HB GLU 49 HB2 GLU 49 8.209 -17.002 -17.002 368 2HB GLU 49 HB1 GLU 49 9.227 -16.441 -16.441 369 1HG GLU 49 HG2 GLU 49 8.086 -14.332 -14.332 370 2HG GLU 49 HG1 GLU 49 7.189 -14.686 -14.686 371 H ILE 50 HN ILE 50 7.913 -13.996 -13.996 372 HA ILE 50 HA ILE 50 7.001 -15.581 -15.581 373 HB ILE 50 HB ILE 50 6.934 -12.585 -12.585 374 1HG1 ILE 50 HG12 ILE 50 5.724 -14.648 -14.648 375 2HG1 ILE 50 HG11 ILE 50 5.700 -12.927 -12.927 376 1HG2 ILE 50 HG22 ILE 50 5.234 -14.551 -14.551 377 2HG2 ILE 50 HG21 ILE 50 4.894 -12.830 -12.830 378 3HG2 ILE 50 HG23 ILE 50 6.352 -13.358 -13.358 379 1HD1 ILE 50 HD12 ILE 50 3.754 -14.242 -14.242 380 2HD1 ILE 50 HD11 ILE 50 3.415 -14.192 -14.192 381 3HD1 ILE 50 HD13 ILE 50 3.615 -12.701 -12.701 382 H LEU 51 HN LEU 51 9.498 -13.067 -13.067 383 HA LEU 51 HA LEU 51 9.737 -12.966 -12.966 384 1HB LEU 51 HB2 LEU 51 12.326 -12.397 -12.397 385 2HB LEU 51 HB1 LEU 51 11.040 -11.218 -11.218 386 HG LEU 51 HG LEU 51 12.267 -11.012 -11.012 387 1HD1 LEU 51 HD12 LEU 51 9.462 -11.248 -11.248 388 2HD1 LEU 51 HD11 LEU 51 9.897 -12.066 -12.066 389 3HD1 LEU 51 HD13 LEU 51 10.406 -10.396 -10.396 390 1HD2 LEU 51 HD22 LEU 51 12.803 -13.564 -13.564 391 2HD2 LEU 51 HD21 LEU 51 12.632 -12.738 -12.738 392 3HD2 LEU 51 HD23 LEU 51 11.292 -13.712 -13.712 393 H GLU 52 HN GLU 52 11.686 -14.876 -14.876 394 HA GLU 52 HA GLU 52 13.200 -16.265 -16.265 395 1HB GLU 52 HB2 GLU 52 12.072 -17.204 -17.204 396 2HB GLU 52 HB1 GLU 52 13.267 -18.103 -18.103 397 1HG GLU 52 HG2 GLU 52 14.570 -15.771 -15.771 398 2HG GLU 52 HG1 GLU 52 13.565 -15.538 -15.538 399 H PHE 53 HN PHE 53 9.884 -16.786 -16.786 400 HA PHE 53 HA PHE 53 9.524 -19.373 -19.373 401 1HB PHE 53 HB2 PHE 53 7.894 -18.442 -18.442 402 2HB PHE 53 HB1 PHE 53 7.525 -17.149 -17.149 403 HD1 PHE 53 HD1 PHE 53 7.848 -20.891 -20.891 404 HD2 PHE 53 HD2 PHE 53 5.504 -17.431 -17.431 405 HE1 PHE 53 HE1 PHE 53 6.198 -22.323 -22.323 406 HE2 PHE 53 HE2 PHE 53 3.861 -18.866 -18.866 407 HZ PHE 53 HZ PHE 53 4.224 -21.318 -21.318 408 H LEU 54 HN LEU 54 7.885 -16.591 -16.591 409 HA LEU 54 HA LEU 54 7.540 -18.048 -18.048 410 1HB LEU 54 HB2 LEU 54 7.475 -15.443 -15.443 411 2HB LEU 54 HB1 LEU 54 6.104 -16.294 -16.294 412 HG LEU 54 HG LEU 54 6.676 -15.375 -15.375 413 1HD1 LEU 54 HD11 LEU 54 8.958 -14.212 -14.212 414 2HD1 LEU 54 HD13 LEU 54 8.315 -13.371 -13.371 415 3HD1 LEU 54 HD12 LEU 54 8.981 -14.996 -14.996 416 1HD2 LEU 54 HD22 LEU 54 5.127 -14.206 -14.206 417 2HD2 LEU 54 HD21 LEU 54 6.008 -13.091 -13.091 418 3HD2 LEU 54 HD23 LEU 54 6.506 -13.285 -13.285 419 H LEU 55 HN LEU 55 10.251 -16.191 -16.191 420 HA LEU 55 HA LEU 55 11.639 -16.097 -16.097 421 1HB LEU 55 HB2 LEU 55 12.063 -14.871 -14.871 422 2HB LEU 55 HB1 LEU 55 13.033 -16.299 -16.299 423 HG LEU 55 HG LEU 55 13.383 -14.528 -14.528 424 1HD1 LEU 55 HD11 LEU 55 14.782 -14.676 -14.676 425 2HD1 LEU 55 HD13 LEU 55 15.602 -14.031 -14.031 426 3HD1 LEU 55 HD12 LEU 55 14.143 -13.252 -13.252 427 1HD2 LEU 55 HD23 LEU 55 14.615 -17.097 -17.097 428 2HD2 LEU 55 HD22 LEU 55 14.292 -16.528 -16.528 429 3HD2 LEU 55 HD21 LEU 55 15.681 -15.917 -15.917 430 H LEU 56 HN LEU 56 11.148 -18.441 -18.441 431 HA LEU 56 HA LEU 56 13.122 -20.355 -20.355 432 1HB LEU 56 HB2 LEU 56 11.181 -20.236 -20.236 433 2HB LEU 56 HB1 LEU 56 10.324 -21.226 -21.226 434 HG LEU 56 HG LEU 56 11.459 -22.649 -22.649 435 1HD1 LEU 56 HD12 LEU 56 11.474 -23.115 -23.115 436 2HD1 LEU 56 HD11 LEU 56 13.196 -22.859 -22.859 437 3HD1 LEU 56 HD13 LEU 56 12.421 -24.131 -24.131 438 1HD2 LEU 56 HD23 LEU 56 13.328 -20.715 -20.715 439 2HD2 LEU 56 HD22 LEU 56 13.614 -22.388 -22.388 440 3HD2 LEU 56 HD21 LEU 56 14.202 -21.778 -21.778 441 H LYS 57 HN LYS 57 9.865 -19.850 -19.850 442 HA LYS 57 HA LYS 57 9.943 -21.951 -21.951 443 1HB LYS 57 HB2 LYS 57 8.299 -19.403 -19.403 444 2HB LYS 57 HB1 LYS 57 7.963 -20.909 -20.909 445 1HG LYS 57 HG2 LYS 57 8.126 -20.723 -20.723 446 2HG LYS 57 HG1 LYS 57 6.622 -20.452 -20.452 447 1HD LYS 57 HD2 LYS 57 6.283 -22.682 -22.682 448 2HD LYS 57 HD1 LYS 57 7.929 -22.936 -22.936 449 1HE LYS 57 HE2 LYS 57 7.259 -22.611 -22.611 450 2HE LYS 57 HE1 LYS 57 7.315 -24.172 -24.172 451 1HZ LYS 57 HZ2 LYS 57 9.572 -22.306 -22.306 452 2HZ LYS 57 HZ1 LYS 57 9.428 -23.367 -23.367 453 3HZ LYS 57 HZ3 LYS 57 9.560 -23.986 -23.986 454 H GLY 58 HN GLY 58 9.118 -19.099 -19.099 455 1HA GLY 58 HA2 GLY 58 11.212 -19.390 -19.390 456 2HA GLY 58 HA1 GLY 58 10.161 -17.982 -17.982 457 H ALA 59 HN ALA 59 11.310 -16.167 -16.167 458 HA ALA 59 HA ALA 59 12.860 -15.667 -15.667 459 1HB ALA 59 HB1 ALA 59 14.441 -16.887 -16.887 460 2HB ALA 59 HB3 ALA 59 15.180 -15.676 -15.676 461 3HB ALA 59 HB2 ALA 59 14.556 -17.159 -17.159 462 H ASP 60 HN ASP 60 11.466 -13.892 -13.892 463 HA ASP 60 HA ASP 60 12.272 -12.177 -12.177 464 1HB ASP 60 HB2 ASP 60 9.993 -12.078 -12.078 465 2HB ASP 60 HB1 ASP 60 10.624 -11.536 -11.536 466 H ILE 61 HN ILE 61 13.813 -13.085 -13.085 467 HA ILE 61 HA ILE 61 14.728 -10.963 -10.963 468 HB ILE 61 HB ILE 61 15.307 -13.405 -13.405 469 1HG1 ILE 61 HG12 ILE 61 17.484 -11.293 -11.293 470 2HG1 ILE 61 HG11 ILE 61 16.499 -11.927 -11.927 471 1HG2 ILE 61 HG23 ILE 61 15.944 -13.452 -13.452 472 2HG2 ILE 61 HG22 ILE 61 17.492 -12.794 -12.794 473 3HG2 ILE 61 HG21 ILE 61 16.959 -14.365 -14.365 474 1HD1 ILE 61 HD12 ILE 61 17.612 -14.243 -14.243 475 2HD1 ILE 61 HD11 ILE 61 18.880 -13.099 -13.099 476 3HD1 ILE 61 HD13 ILE 61 18.354 -13.219 -13.219 477 H ASN 62 HN ASN 62 15.312 -11.666 -11.666 478 HA ASN 62 HA ASN 62 17.080 -9.283 -9.283 479 1HB ASN 62 HB2 ASN 62 18.357 -10.574 -10.574 480 2HB ASN 62 HB1 ASN 62 18.558 -11.148 -11.148 481 1HD2 ASN 62 HD21 ASN 62 15.481 -12.118 -12.118 482 2HD2 ASN 62 HD22 ASN 62 15.788 -13.668 -13.668 483 H ALA 63 HN ALA 63 14.853 -11.480 -11.480 484 HA ALA 63 HA ALA 63 14.378 -10.839 -10.839 485 1HB ALA 63 HB1 ALA 63 12.187 -10.437 -10.437 486 2HB ALA 63 HB3 ALA 63 11.932 -10.588 -10.588 487 3HB ALA 63 HB2 ALA 63 12.609 -11.932 -11.932 488 HA PRO 64 HA PRO 64 12.319 -6.226 -6.226 489 1HB PRO 64 HB2 PRO 64 15.101 -5.782 -5.782 490 2HB PRO 64 HB1 PRO 64 13.583 -4.977 -4.977 491 1HG PRO 64 HG2 PRO 64 14.713 -7.235 -7.235 492 2HG PRO 64 HG1 PRO 64 13.072 -6.583 -6.583 493 1HD PRO 64 HD2 PRO 64 13.645 -9.113 -9.113 494 2HD PRO 64 HD1 PRO 64 12.115 -8.287 -8.287 495 H ASP 65 HN ASP 65 12.324 -4.825 -4.825 496 HA ASP 65 HA ASP 65 14.642 -4.363 -4.363 497 1HB ASP 65 HB2 ASP 65 12.044 -5.634 -5.634 498 2HB ASP 65 HB1 ASP 65 12.995 -4.648 -4.648 499 H LYS 66 HN LYS 66 11.208 -3.768 -3.768 500 HA LYS 66 HA LYS 66 11.381 -1.034 -1.034 501 1HB LYS 66 HB2 LYS 66 9.379 -2.727 -2.727 502 2HB LYS 66 HB1 LYS 66 9.109 -2.230 -2.230 503 1HG LYS 66 HG2 LYS 66 9.326 -0.277 -0.277 504 2HG LYS 66 HG1 LYS 66 7.825 -0.957 -0.957 505 1HD LYS 66 HD2 LYS 66 8.653 -0.045 -0.045 506 2HD LYS 66 HD1 LYS 66 9.651 0.987 0.987 507 1HE LYS 66 HE2 LYS 66 6.643 0.784 0.784 508 2HE LYS 66 HE1 LYS 66 7.592 2.172 2.172 509 1HZ LYS 66 HZ1 LYS 66 8.362 1.350 1.350 510 2HZ LYS 66 HZ3 LYS 66 6.688 1.589 1.589 511 3HZ LYS 66 HZ2 LYS 66 7.732 2.846 2.846 512 H HIS 67 HN HIS 67 11.252 -2.806 -2.806 513 HA HIS 67 HA HIS 67 11.106 -0.474 -0.474 514 1HB HIS 67 HB2 HIS 67 12.111 -3.190 -3.190 515 2HB HIS 67 HB1 HIS 67 11.128 -2.077 -2.077 516 HD1 HIS 67 HD1 HIS 67 9.185 -1.648 -1.648 517 HD2 HIS 67 HD2 HIS 67 10.054 -5.198 -5.198 518 HE1 HIS 67 HE1 HIS 67 7.338 -3.288 -3.288 519 H HIS 68 HN HIS 68 13.530 -1.672 -1.672 520 HA HIS 68 HA HIS 68 15.905 -1.566 -1.566 521 1HB HIS 68 HB2 HIS 68 16.667 0.762 0.762 522 2HB HIS 68 HB1 HIS 68 15.212 0.735 0.735 523 HD1 HIS 68 HD1 HIS 68 16.123 1.022 1.022 524 HD2 HIS 68 HD2 HIS 68 13.126 2.203 2.203 525 HE1 HIS 68 HE1 HIS 68 14.533 2.497 2.497 526 H ILE 69 HN ILE 69 14.641 -2.709 -2.709 527 HA ILE 69 HA ILE 69 17.051 -2.494 -2.494 528 HB ILE 69 HB ILE 69 14.963 -0.704 -0.704 529 1HG1 ILE 69 HG12 ILE 69 17.338 -0.481 -0.481 530 2HG1 ILE 69 HG11 ILE 69 16.298 -0.231 -0.231 531 1HG2 ILE 69 HG22 ILE 69 13.631 -2.612 -2.612 532 2HG2 ILE 69 HG21 ILE 69 14.930 -2.841 -2.841 533 3HG2 ILE 69 HG23 ILE 69 14.030 -1.337 -1.337 534 1HD1 ILE 69 HD11 ILE 69 16.691 -2.813 -2.813 535 2HD1 ILE 69 HD13 ILE 69 18.148 -2.474 -2.474 536 3HD1 ILE 69 HD12 ILE 69 17.800 -1.622 -1.622 537 H THR 70 HN THR 70 17.109 -3.929 -3.929 538 HA THR 70 HA THR 70 15.384 -6.260 -6.260 539 HB THR 70 HB THR 70 17.524 -7.053 -7.053 540 HG1 THR 70 HG1 THR 70 16.857 -8.335 -8.335 541 1HG2 THR 70 HG22 THR 70 18.385 -5.034 -5.034 542 2HG2 THR 70 HG21 THR 70 19.497 -6.158 -6.158 543 3HG2 THR 70 HG23 THR 70 18.672 -4.963 -4.963 544 HA PRO 71 HA PRO 71 13.782 -5.559 -5.559 545 1HB PRO 71 HB2 PRO 71 13.681 -8.378 -8.378 546 2HB PRO 71 HB1 PRO 71 12.360 -7.316 -7.316 547 1HG PRO 71 HG2 PRO 71 13.256 -9.361 -9.361 548 2HG PRO 71 HG1 PRO 71 12.648 -7.822 -7.822 549 1HD PRO 71 HD2 PRO 71 15.477 -8.660 -8.660 550 2HD PRO 71 HD1 PRO 71 14.708 -7.920 -7.920 551 H LEU 72 HN LEU 72 16.889 -7.070 -7.070 552 HA LEU 72 HA LEU 72 16.941 -7.283 -7.283 553 1HB LEU 72 HB2 LEU 72 19.499 -6.266 -6.266 554 2HB LEU 72 HB1 LEU 72 19.188 -7.674 -7.674 555 HG LEU 72 HG LEU 72 20.023 -8.537 -8.537 556 1HD1 LEU 72 HD12 LEU 72 17.087 -8.860 -8.860 557 2HD1 LEU 72 HD11 LEU 72 17.744 -9.283 -9.283 558 3HD1 LEU 72 HD13 LEU 72 18.355 -10.047 -10.047 559 1HD2 LEU 72 HD23 LEU 72 18.232 -6.580 -6.580 560 2HD2 LEU 72 HD22 LEU 72 19.972 -6.507 -6.507 561 3HD2 LEU 72 HD21 LEU 72 19.236 -7.808 -7.808 562 H LEU 73 HN LEU 73 17.457 -4.466 -4.466 563 HA LEU 73 HA LEU 73 18.178 -2.723 -2.723 564 1HB LEU 73 HB2 LEU 73 16.997 -1.962 -1.962 565 2HB LEU 73 HB1 LEU 73 17.838 -0.913 -0.913 566 HG LEU 73 HG LEU 73 19.759 -2.721 -2.721 567 1HD1 LEU 73 HD13 LEU 73 17.932 -3.681 -3.681 568 2HD1 LEU 73 HD12 LEU 73 19.415 -3.161 -3.161 569 3HD1 LEU 73 HD11 LEU 73 19.461 -4.350 -4.350 570 1HD2 LEU 73 HD21 LEU 73 19.165 -0.500 -0.500 571 2HD2 LEU 73 HD23 LEU 73 20.226 -0.514 -0.514 572 3HD2 LEU 73 HD22 LEU 73 20.677 -1.396 -1.396 573 H SER 74 HN SER 74 15.198 -3.952 -3.952 574 HA SER 74 HA SER 74 13.393 -2.011 -2.011 575 1HB SER 74 HB2 SER 74 11.826 -3.538 -3.538 576 2HB SER 74 HB1 SER 74 13.166 -4.578 -4.578 577 HG SER 74 HG SER 74 11.674 -4.458 -4.458 578 H ALA 75 HN ALA 75 14.659 -4.821 -4.821 579 HA ALA 75 HA ALA 75 13.362 -4.102 -4.102 580 1HB ALA 75 HB1 ALA 75 15.760 -5.867 -5.867 581 2HB ALA 75 HB3 ALA 75 14.967 -5.722 -5.722 582 3HB ALA 75 HB2 ALA 75 14.087 -6.389 -6.389 583 H VAL 76 HN VAL 76 16.540 -3.415 -3.415 584 HA VAL 76 HA VAL 76 17.992 -2.522 -2.522 585 HB VAL 76 HB VAL 76 17.658 -1.396 -1.396 586 1HG1 VAL 76 HG12 VAL 76 19.378 -0.383 -0.383 587 2HG1 VAL 76 HG11 VAL 76 20.032 -0.401 -0.401 588 3HG1 VAL 76 HG13 VAL 76 18.567 0.486 0.486 589 1HG2 VAL 76 HG23 VAL 76 19.633 -3.179 -3.179 590 2HG2 VAL 76 HG22 VAL 76 18.548 -3.595 -3.595 591 3HG2 VAL 76 HG21 VAL 76 19.908 -2.528 -2.528 592 H TYR 77 HN TYR 77 15.904 -0.275 -0.275 593 HA TYR 77 HA TYR 77 16.036 1.701 1.701 594 1HB TYR 77 HB2 TYR 77 13.771 1.786 1.786 595 2HB TYR 77 HB1 TYR 77 14.824 3.088 3.088 596 HD1 TYR 77 HD1 TYR 77 14.462 0.259 0.259 597 HD2 TYR 77 HD2 TYR 77 17.003 3.444 3.444 598 HE1 TYR 77 HE1 TYR 77 15.845 0.017 0.017 599 HE2 TYR 77 HE2 TYR 77 18.390 3.194 3.194 600 HH TYR 77 HH TYR 77 18.708 0.821 0.821 601 H GLU 78 HN GLU 78 15.171 -0.873 -0.873 602 HA GLU 78 HA GLU 78 12.357 -0.214 -0.214 603 1HB GLU 78 HB2 GLU 78 12.850 -2.299 -2.299 604 2HB GLU 78 HB1 GLU 78 13.427 -3.028 -3.028 605 1HG GLU 78 HG2 GLU 78 11.151 -2.180 -2.180 606 2HG GLU 78 HG1 GLU 78 10.647 -2.111 -2.111 607 H GLY 79 HN GLY 79 15.522 -1.395 -1.395 608 1HA GLY 79 HA2 GLY 79 16.496 -1.255 -1.255 609 2HA GLY 79 HA1 GLY 79 14.887 -0.928 -0.928 610 H HIS 80 HN HIS 80 14.328 -3.318 -3.318 611 HA HIS 80 HA HIS 80 14.197 -5.395 -5.395 612 1HB HIS 80 HB2 HIS 80 13.455 -5.210 -5.210 613 2HB HIS 80 HB1 HIS 80 13.659 -6.804 -6.804 614 HD1 HIS 80 HD1 HIS 80 11.306 -7.565 -7.565 615 HD2 HIS 80 HD2 HIS 80 11.881 -3.721 -3.721 616 HE1 HIS 80 HE1 HIS 80 9.230 -7.014 -7.014 617 H VAL 81 HN VAL 81 15.858 -5.092 -5.092 618 HA VAL 81 HA VAL 81 17.591 -6.478 -6.478 619 HB VAL 81 HB VAL 81 19.678 -5.751 -5.751 620 1HG1 VAL 81 HG11 VAL 81 18.226 -4.534 -4.534 621 2HG1 VAL 81 HG13 VAL 81 18.531 -3.250 -3.250 622 3HG1 VAL 81 HG12 VAL 81 19.876 -4.182 -4.182 623 1HG2 VAL 81 HG23 VAL 81 18.160 -5.122 -5.122 624 2HG2 VAL 81 HG22 VAL 81 19.144 -3.774 -3.774 625 3HG2 VAL 81 HG21 VAL 81 17.446 -3.887 -3.887 626 H SER 82 HN SER 82 15.875 -7.828 -7.828 627 HA SER 82 HA SER 82 17.693 -9.781 -9.781 628 1HB SER 82 HB2 SER 82 14.836 -9.022 -9.022 629 2HB SER 82 HB1 SER 82 15.102 -10.757 -10.757 630 HG SER 82 HG SER 82 15.357 -10.210 -10.210 631 H CYS 83 HN CYS 83 15.761 -9.025 -9.025 632 HA CYS 83 HA CYS 83 15.718 -11.691 -11.691 633 1HB CYS 83 HB2 CYS 83 15.003 -9.998 -9.998 634 2HB CYS 83 HB1 CYS 83 13.867 -10.599 -10.599 635 HG CYS 83 HG CYS 83 13.963 -7.866 -7.866 636 H VAL 84 HN VAL 84 17.311 -8.560 -8.560 637 HA VAL 84 HA VAL 84 18.824 -9.214 -9.214 638 HB VAL 84 HB VAL 84 20.567 -7.724 -7.724 639 1HG1 VAL 84 HG11 VAL 84 17.716 -6.875 -6.875 640 2HG1 VAL 84 HG13 VAL 84 19.081 -5.769 -5.769 641 3HG1 VAL 84 HG12 VAL 84 18.593 -6.676 -6.676 642 1HG2 VAL 84 HG22 VAL 84 19.137 -8.354 -8.354 643 2HG2 VAL 84 HG21 VAL 84 20.859 -8.288 -8.288 644 3HG2 VAL 84 HG23 VAL 84 19.939 -6.809 -6.809 645 H LYS 85 HN LYS 85 19.543 -10.094 -10.094 646 HA LYS 85 HA LYS 85 22.029 -11.299 -11.299 647 1HB LYS 85 HB2 LYS 85 19.967 -11.156 -11.156 648 2HB LYS 85 HB1 LYS 85 20.390 -12.841 -12.841 649 1HG LYS 85 HG2 LYS 85 21.827 -11.970 -11.970 650 2HG LYS 85 HG1 LYS 85 22.819 -12.119 -12.119 651 1HD LYS 85 HD2 LYS 85 22.071 -9.645 -9.645 652 2HD LYS 85 HD1 LYS 85 21.668 -9.640 -9.640 653 1HE LYS 85 HE2 LYS 85 23.920 -8.835 -8.835 654 2HE LYS 85 HE1 LYS 85 24.026 -10.510 -10.510 655 1HZ LYS 85 HZ1 LYS 85 24.274 -11.104 -11.104 656 2HZ LYS 85 HZ3 LYS 85 24.565 -9.458 -9.458 657 3HZ LYS 85 HZ2 LYS 85 25.606 -10.344 -10.344 658 H LEU 86 HN LEU 86 19.179 -13.371 -13.371 659 HA LEU 86 HA LEU 86 20.424 -15.548 -15.548 660 1HB LEU 86 HB2 LEU 86 18.202 -16.629 -16.629 661 2HB LEU 86 HB1 LEU 86 18.667 -16.148 -16.148 662 HG LEU 86 HG LEU 86 16.318 -15.691 -15.691 663 1HD1 LEU 86 HD12 LEU 86 17.919 -14.084 -14.084 664 2HD1 LEU 86 HD11 LEU 86 17.556 -12.978 -12.978 665 3HD1 LEU 86 HD13 LEU 86 16.243 -13.616 -13.616 666 1HD2 LEU 86 HD21 LEU 86 16.740 -15.300 -15.300 667 2HD2 LEU 86 HD23 LEU 86 15.533 -14.311 -14.311 668 3HD2 LEU 86 HD22 LEU 86 17.105 -13.638 -13.638 669 H LEU 87 HN LEU 87 19.369 -12.787 -12.787 670 HA LEU 87 HA LEU 87 18.193 -13.867 -13.867 671 1HB LEU 87 HB2 LEU 87 18.614 -11.308 -11.308 672 2HB LEU 87 HB1 LEU 87 19.413 -11.278 -11.278 673 HG LEU 87 HG LEU 87 16.556 -12.146 -12.146 674 1HD1 LEU 87 HD12 LEU 87 17.819 -9.604 -9.604 675 2HD1 LEU 87 HD11 LEU 87 16.143 -10.017 -10.017 676 3HD1 LEU 87 HD13 LEU 87 16.660 -9.790 -9.790 677 1HD2 LEU 87 HD23 LEU 87 18.339 -12.207 -12.207 678 2HD2 LEU 87 HD22 LEU 87 17.035 -13.292 -13.292 679 3HD2 LEU 87 HD21 LEU 87 16.658 -11.736 -11.736 680 H LEU 88 HN LEU 88 21.354 -12.113 -12.113 681 HA LEU 88 HA LEU 88 22.165 -13.086 -13.086 682 1HB LEU 88 HB2 LEU 88 24.419 -12.536 -12.536 683 2HB LEU 88 HB1 LEU 88 23.408 -11.305 -11.305 684 HG LEU 88 HG LEU 88 25.028 -11.805 -11.805 685 1HD1 LEU 88 HD12 LEU 88 22.628 -11.786 -11.786 686 2HD1 LEU 88 HD11 LEU 88 22.708 -13.541 -13.541 687 3HD1 LEU 88 HD13 LEU 88 23.761 -12.611 -12.611 688 1HD2 LEU 88 HD23 LEU 88 25.349 -14.250 -14.250 689 2HD2 LEU 88 HD22 LEU 88 26.049 -13.834 -13.834 690 3HD2 LEU 88 HD21 LEU 88 24.542 -14.717 -14.717 691 H SER 89 HN SER 89 21.673 -14.779 -14.779 692 HA SER 89 HA SER 89 23.516 -16.929 -16.929 693 1HB SER 89 HB2 SER 89 21.804 -16.390 -16.390 694 2HB SER 89 HB1 SER 89 20.696 -17.358 -17.358 695 HG SER 89 HG SER 89 21.638 -18.894 -18.894 696 H LYS 90 HN LYS 90 20.866 -15.896 -15.896 697 HA LYS 90 HA LYS 90 20.533 -18.488 -18.488 698 1HB LYS 90 HB2 LYS 90 18.850 -15.999 -15.999 699 2HB LYS 90 HB1 LYS 90 18.552 -17.085 -17.085 700 1HG LYS 90 HG2 LYS 90 18.235 -18.954 -18.954 701 2HG LYS 90 HG1 LYS 90 18.624 -17.922 -17.922 702 1HD LYS 90 HD2 LYS 90 16.390 -17.125 -17.125 703 2HD LYS 90 HD1 LYS 90 16.094 -18.400 -18.400 704 1HE LYS 90 HE2 LYS 90 17.084 -15.587 -15.587 705 2HE LYS 90 HE1 LYS 90 15.462 -16.212 -16.212 706 1HZ LYS 90 HZ3 LYS 90 17.100 -18.053 -18.053 707 2HZ LYS 90 HZ2 LYS 90 17.873 -16.574 -16.574 708 3HZ LYS 90 HZ1 LYS 90 16.269 -16.830 -16.830 709 H GLY 91 HN GLY 91 21.917 -15.383 -15.383 710 1HA GLY 91 HA2 GLY 91 23.595 -15.412 -15.412 711 2HA GLY 91 HA1 GLY 91 22.132 -15.546 -15.546 712 H ALA 92 HN ALA 92 20.933 -13.750 -13.750 713 HA ALA 92 HA ALA 92 20.517 -11.446 -11.446 714 1HB ALA 92 HB3 ALA 92 20.425 -12.261 -12.261 715 2HB ALA 92 HB2 ALA 92 20.847 -10.552 -10.552 716 3HB ALA 92 HB1 ALA 92 19.372 -11.145 -11.145 717 H ASP 93 HN ASP 93 23.621 -12.452 -12.452 718 HA ASP 93 HA ASP 93 25.682 -11.353 -11.353 719 1HB ASP 93 HB2 ASP 93 25.191 -11.032 -11.032 720 2HB ASP 93 HB1 ASP 93 24.353 -9.530 -9.530 721 H LYS 94 HN LYS 94 24.738 -8.221 -8.221 722 HA LYS 94 HA LYS 94 23.924 -7.339 -7.339 723 1HB LYS 94 HB2 LYS 94 26.396 -7.757 -7.757 724 2HB LYS 94 HB1 LYS 94 26.643 -6.534 -6.534 725 1HG LYS 94 HG2 LYS 94 25.039 -5.123 -5.123 726 2HG LYS 94 HG1 LYS 94 25.751 -6.229 -6.229 727 1HD LYS 94 HD2 LYS 94 27.295 -4.481 -4.481 728 2HD LYS 94 HD1 LYS 94 28.008 -5.558 -5.558 729 1HE LYS 94 HE2 LYS 94 26.747 -4.258 -4.258 730 2HE LYS 94 HE1 LYS 94 26.308 -3.119 -3.119 731 1HZ LYS 94 HZ1 LYS 94 28.732 -2.907 -2.907 732 2HZ LYS 94 HZ3 LYS 94 29.022 -3.786 -3.786 733 3HZ LYS 94 HZ2 LYS 94 28.223 -2.283 -2.283 734 H THR 95 HN THR 95 25.531 -6.214 -6.214 735 HA THR 95 HA THR 95 23.500 -3.996 -3.996 736 HB THR 95 HB THR 95 25.463 -2.922 -2.922 737 HG1 THR 95 HG1 THR 95 26.943 -4.506 -4.506 738 1HG2 THR 95 HG23 THR 95 24.951 -2.900 -2.900 739 2HG2 THR 95 HG22 THR 95 26.513 -2.276 -2.276 740 3HG2 THR 95 HG21 THR 95 25.041 -1.547 -1.547 741 H VAL 96 HN VAL 96 23.103 -6.568 -6.568 742 HA VAL 96 HA VAL 96 23.921 -6.735 -6.735 743 HB VAL 96 HB VAL 96 22.362 -8.338 -8.338 744 1HG1 VAL 96 HG13 VAL 96 21.578 -8.492 -8.492 745 2HG1 VAL 96 HG12 VAL 96 21.105 -9.632 -9.632 746 3HG1 VAL 96 HG11 VAL 96 20.535 -7.975 -7.975 747 1HG2 VAL 96 HG22 VAL 96 24.668 -8.800 -8.800 748 2HG2 VAL 96 HG21 VAL 96 23.537 -10.151 -10.151 749 3HG2 VAL 96 HG23 VAL 96 23.781 -9.298 -9.298 750 H LYS 97 HN LYS 97 21.879 -4.583 -4.583 751 HA LYS 97 HA LYS 97 20.774 -3.875 -3.875 752 1HB LYS 97 HB2 LYS 97 19.324 -5.836 -5.836 753 2HB LYS 97 HB1 LYS 97 18.405 -4.372 -4.372 754 1HG LYS 97 HG2 LYS 97 17.853 -4.117 -4.117 755 2HG LYS 97 HG1 LYS 97 19.304 -4.943 -4.943 756 1HD LYS 97 HD2 LYS 97 17.334 -6.592 -6.592 757 2HD LYS 97 HD1 LYS 97 16.871 -6.115 -6.115 758 1HE LYS 97 HE2 LYS 97 19.512 -7.426 -7.426 759 2HE LYS 97 HE1 LYS 97 18.071 -8.323 -8.323 760 1HZ LYS 97 HZ3 LYS 97 18.249 -6.286 -6.286 761 2HZ LYS 97 HZ2 LYS 97 19.864 -6.789 -6.789 762 3HZ LYS 97 HZ1 LYS 97 18.676 -7.900 -7.900 763 H GLY 98 HN GLY 98 21.460 -2.925 -2.925 764 1HA GLY 98 HA2 GLY 98 19.578 -0.708 -0.708 765 2HA GLY 98 HA1 GLY 98 21.026 -0.885 -0.885 766 HA PRO 99 HA PRO 99 21.404 2.376 2.376 767 1HB PRO 99 HB2 PRO 99 22.374 4.111 4.111 768 2HB PRO 99 HB1 PRO 99 21.054 4.388 4.388 769 1HG PRO 99 HG2 PRO 99 20.833 3.634 3.634 770 2HG PRO 99 HG1 PRO 99 19.513 3.925 3.925 771 1HD PRO 99 HD2 PRO 99 20.286 1.400 1.400 772 2HD PRO 99 HD1 PRO 99 19.148 1.661 1.661 773 H ASP 100 HN ASP 100 23.486 2.690 2.690 774 HA ASP 100 HA ASP 100 25.645 1.208 1.208 775 1HB ASP 100 HB2 ASP 100 25.779 3.579 3.579 776 2HB ASP 100 HB1 ASP 100 25.991 4.112 4.112 777 H GLY 101 HN GLY 101 27.147 3.209 3.209 778 1HA GLY 101 HA2 GLY 101 27.583 1.317 1.317 779 2HA GLY 101 HA1 GLY 101 27.987 3.007 3.007 780 H LEU 102 HN LEU 102 24.700 2.894 2.894 781 HA LEU 102 HA LEU 102 23.883 3.939 3.939 782 1HB LEU 102 HB2 LEU 102 22.467 3.803 3.803 783 2HB LEU 102 HB1 LEU 102 22.187 2.113 2.113 784 HG LEU 102 HG LEU 102 21.362 4.496 4.496 785 1HD1 LEU 102 HD12 LEU 102 19.827 2.634 2.634 786 2HD1 LEU 102 HD11 LEU 102 19.055 3.519 3.519 787 3HD1 LEU 102 HD13 LEU 102 19.826 4.398 4.398 788 1HD2 LEU 102 HD21 LEU 102 21.202 1.543 1.543 789 2HD2 LEU 102 HD23 LEU 102 21.780 2.853 2.853 790 3HD2 LEU 102 HD22 LEU 102 20.069 2.668 2.668 791 H THR 103 HN THR 103 23.023 0.677 0.677 792 HA THR 103 HA THR 103 22.339 -0.961 -0.961 793 HB THR 103 HB THR 103 24.329 -1.912 -1.912 794 HG1 THR 103 HG1 THR 103 25.409 -1.749 -1.749 795 1HG2 THR 103 HG22 THR 103 25.649 0.447 0.447 796 2HG2 THR 103 HG21 THR 103 26.556 -0.958 -0.958 797 3HG2 THR 103 HG23 THR 103 25.694 -0.015 -0.015 798 H ALA 104 HN ALA 104 24.798 -0.460 -0.460 799 HA ALA 104 HA ALA 104 22.914 0.634 0.634 800 1HB ALA 104 HB3 ALA 104 24.441 -1.360 -1.360 801 2HB ALA 104 HB2 ALA 104 25.716 -0.176 -0.176 802 3HB ALA 104 HB1 ALA 104 24.350 -0.183 -0.183 803 H LEU 105 HN LEU 105 25.834 1.638 1.638 804 HA LEU 105 HA LEU 105 26.779 3.596 3.596 805 1HB LEU 105 HB2 LEU 105 26.576 4.024 4.024 806 2HB LEU 105 HB1 LEU 105 27.796 4.620 4.620 807 HG LEU 105 HG LEU 105 27.343 1.773 1.773 808 1HD1 LEU 105 HD12 LEU 105 28.492 3.283 3.283 809 2HD1 LEU 105 HD11 LEU 105 29.700 3.659 3.659 810 3HD1 LEU 105 HD13 LEU 105 29.552 2.003 2.003 811 1HD2 LEU 105 HD22 LEU 105 29.075 2.991 2.991 812 2HD2 LEU 105 HD21 LEU 105 27.953 1.641 1.641 813 3HD2 LEU 105 HD23 LEU 105 29.465 1.436 1.436 814 H GLU 106 HN GLU 106 24.597 4.337 4.337 815 HA GLU 106 HA GLU 106 24.098 6.910 6.910 816 1HB GLU 106 HB2 GLU 106 22.758 5.694 5.694 817 2HB GLU 106 HB1 GLU 106 22.771 7.381 7.381 818 1HG GLU 106 HG2 GLU 106 25.221 5.729 5.729 819 2HG GLU 106 HG1 GLU 106 24.446 6.919 6.919 820 H ALA 107 HN ALA 107 22.767 3.867 3.867 821 HA ALA 107 HA ALA 107 19.984 4.655 4.655 822 1HB ALA 107 HB3 ALA 107 21.467 2.224 2.224 823 2HB ALA 107 HB2 ALA 107 19.726 2.415 2.415 824 3HB ALA 107 HB1 ALA 107 20.522 2.342 2.342 825 H THR 108 HN THR 108 22.631 4.097 4.097 826 HA THR 108 HA THR 108 20.976 5.516 5.516 827 HB THR 108 HB THR 108 20.273 3.157 3.157 828 HG1 THR 108 HG1 THR 108 20.679 4.459 4.459 829 1HG2 THR 108 HG23 THR 108 22.724 2.509 2.509 830 2HG2 THR 108 HG22 THR 108 23.015 2.337 2.337 831 3HG2 THR 108 HG21 THR 108 21.774 1.393 1.393 832 H ASP 109 HN ASP 109 22.268 4.460 4.460 833 HA ASP 109 HA ASP 109 25.155 4.897 4.897 834 1HB ASP 109 HB2 ASP 109 23.993 7.179 7.179 835 2HB ASP 109 HB1 ASP 109 23.496 6.519 6.519 836 H ASN 110 HN ASN 110 22.490 3.249 3.249 837 HA ASN 110 HA ASN 110 23.556 2.595 2.595 838 1HB ASN 110 HB2 ASN 110 21.770 0.778 0.778 839 2HB ASN 110 HB1 ASN 110 21.161 2.433 2.433 840 1HD2 ASN 110 HD21 ASN 110 22.886 1.511 1.511 841 2HD2 ASN 110 HD22 ASN 110 21.556 1.130 1.130 842 H GLN 111 HN GLN 111 24.681 0.594 0.594 843 HA GLN 111 HA GLN 111 26.203 -0.285 -0.285 844 1HB GLN 111 HB2 GLN 111 27.464 0.269 0.269 845 2HB GLN 111 HB1 GLN 111 26.450 -0.692 -0.692 846 1HG GLN 111 HG2 GLN 111 27.389 -2.730 -2.730 847 2HG GLN 111 HG1 GLN 111 27.991 -2.012 -2.012 848 1HE2 GLN 111 HE21 GLN 111 28.354 -0.783 -0.783 849 2HE2 GLN 111 HE22 GLN 111 30.051 -0.879 -0.879 850 H ALA 112 HN ALA 112 23.289 -1.400 -1.400 851 HA ALA 112 HA ALA 112 23.875 -4.268 -4.268 852 1HB ALA 112 HB1 ALA 112 21.288 -2.712 -2.712 853 2HB ALA 112 HB3 ALA 112 21.368 -4.477 -4.477 854 3HB ALA 112 HB2 ALA 112 21.940 -3.592 -3.592 855 H ILE 113 HN ILE 113 22.653 -1.848 -1.848 856 HA ILE 113 HA ILE 113 22.095 -3.554 -3.554 857 HB ILE 113 HB ILE 113 22.633 -0.586 -0.586 858 1HG1 ILE 113 HG12 ILE 113 20.259 -0.264 -0.264 859 2HG1 ILE 113 HG11 ILE 113 19.957 -1.963 -1.963 860 1HG2 ILE 113 HG22 ILE 113 22.865 -1.883 -1.883 861 2HG2 ILE 113 HG21 ILE 113 21.140 -1.831 -1.831 862 3HG2 ILE 113 HG23 ILE 113 22.037 -0.351 -0.351 863 1HD1 ILE 113 HD13 ILE 113 21.285 -0.947 -0.947 864 2HD1 ILE 113 HD12 ILE 113 19.544 -1.023 -1.023 865 3HD1 ILE 113 HD11 ILE 113 20.500 -2.496 -2.496 866 H LYS 114 HN LYS 114 24.554 -1.228 -1.228 867 HA LYS 114 HA LYS 114 26.269 -1.500 -1.500 868 1HB LYS 114 HB2 LYS 114 27.072 -1.215 -1.215 869 2HB LYS 114 HB1 LYS 114 28.020 -0.708 -0.708 870 1HG LYS 114 HG2 LYS 114 25.232 0.392 0.392 871 2HG LYS 114 HG1 LYS 114 26.620 1.116 1.116 872 1HD LYS 114 HD2 LYS 114 27.532 1.032 1.032 873 2HD LYS 114 HD1 LYS 114 25.805 1.200 1.200 874 1HE LYS 114 HE2 LYS 114 26.404 3.420 3.420 875 2HE LYS 114 HE1 LYS 114 26.034 3.100 3.100 876 1HZ LYS 114 HZ1 LYS 114 28.750 2.627 2.627 877 2HZ LYS 114 HZ3 LYS 114 28.276 4.192 4.192 878 3HZ LYS 114 HZ2 LYS 114 28.258 2.932 2.932 879 H ALA 115 HN ALA 115 25.368 -3.786 -3.786 880 HA ALA 115 HA ALA 115 27.652 -5.477 -5.477 881 1HB ALA 115 HB2 ALA 115 25.460 -5.610 -5.610 882 2HB ALA 115 HB1 ALA 115 24.815 -6.520 -6.520 883 3HB ALA 115 HB3 ALA 115 26.230 -7.126 -7.126 884 H LEU 116 HN LEU 116 24.860 -5.124 -5.124 885 HA LEU 116 HA LEU 116 25.774 -7.297 -7.297 886 1HB LEU 116 HB2 LEU 116 23.644 -5.237 -5.237 887 2HB LEU 116 HB1 LEU 116 24.287 -5.773 -5.773 888 HG LEU 116 HG LEU 116 22.935 -7.467 -7.467 889 1HD1 LEU 116 HD13 LEU 116 22.346 -6.799 -6.799 890 2HD1 LEU 116 HD12 LEU 116 21.460 -8.000 -8.000 891 3HD1 LEU 116 HD11 LEU 116 21.421 -6.308 -6.308 892 1HD2 LEU 116 HD23 LEU 116 24.775 -8.255 -8.255 893 2HD2 LEU 116 HD22 LEU 116 24.462 -9.069 -9.069 894 3HD2 LEU 116 HD21 LEU 116 23.323 -9.234 -9.234 895 H LEU 117 HN LEU 117 27.065 -4.322 -4.322 896 HA LEU 117 HA LEU 117 28.061 -3.881 -3.881 897 1HB LEU 117 HB2 LEU 117 27.722 -2.225 -2.225 898 2HB LEU 117 HB1 LEU 117 29.409 -2.583 -2.583 899 HG LEU 117 HG LEU 117 29.147 -0.577 -0.577 900 1HD1 LEU 117 HD11 LEU 117 30.958 -2.242 -2.242 901 2HD1 LEU 117 HD13 LEU 117 29.923 -2.886 -2.886 902 3HD1 LEU 117 HD12 LEU 117 30.498 -1.235 -1.235 903 1HD2 LEU 117 HD21 LEU 117 26.795 -1.719 -1.719 904 2HD2 LEU 117 HD23 LEU 117 27.592 -0.341 -0.341 905 3HD2 LEU 117 HD22 LEU 117 27.861 -1.977 -1.977 906 H GLN 118 HN GLN 118 28.581 -6.005 -6.005 907 HA GLN 118 HA GLN 118 31.418 -6.210 -6.210 908 1HB GLN 118 HB2 GLN 118 31.081 -8.257 -8.257 909 2HB GLN 118 HB1 GLN 118 29.700 -7.241 -7.241 910 1HG GLN 118 HG2 GLN 118 28.607 -9.228 -9.228 911 2HG GLN 118 HG1 GLN 118 28.559 -8.399 -8.399 912 1HE2 GLN 118 HE21 GLN 118 28.392 -11.151 -11.151 913 2HE2 GLN 118 HE22 GLN 118 29.858 -11.830 -11.830 Start of MODEL 42 1 1H MET 1 HT3 MET 1 -10.149 -7.823 -7.823 2 2H MET 1 HT2 MET 1 -11.323 -8.617 -8.617 3 3H MET 1 HT1 MET 1 -11.595 -7.030 -7.030 4 HA MET 1 HA MET 1 -11.945 -7.672 -7.672 5 1HB MET 1 HB2 MET 1 -13.024 -9.828 -9.828 6 2HB MET 1 HB1 MET 1 -13.554 -9.597 -9.597 7 1HG MET 1 HG2 MET 1 -13.645 -7.393 -7.393 8 2HG MET 1 HG1 MET 1 -15.005 -8.470 -8.470 9 1HE MET 1 HE2 MET 1 -14.314 -5.220 -5.220 10 2HE MET 1 HE1 MET 1 -15.985 -5.774 -5.774 11 3HE MET 1 HE3 MET 1 -15.351 -4.734 -4.734 12 H CYS 2 HN CYS 2 -10.235 -10.128 -10.128 13 HA CYS 2 HA CYS 2 -9.668 -11.695 -11.695 14 1HB CYS 2 HB2 CYS 2 -9.022 -12.089 -12.089 15 2HB CYS 2 HB1 CYS 2 -8.366 -13.132 -13.132 16 HG CYS 2 HG CYS 2 -11.358 -12.982 -12.982 17 H ASP 3 HN ASP 3 -8.054 -9.510 -9.510 18 HA ASP 3 HA ASP 3 -5.370 -9.938 -9.938 19 1HB ASP 3 HB2 ASP 3 -6.813 -7.322 -7.322 20 2HB ASP 3 HB1 ASP 3 -5.057 -7.479 -7.479 21 H LYS 4 HN LYS 4 -7.870 -8.470 -8.470 22 HA LYS 4 HA LYS 4 -6.318 -7.080 -7.080 23 1HB LYS 4 HB2 LYS 4 -8.836 -8.702 -8.702 24 2HB LYS 4 HB1 LYS 4 -8.199 -7.454 -7.454 25 1HG LYS 4 HG2 LYS 4 -8.335 -5.872 -5.872 26 2HG LYS 4 HG1 LYS 4 -9.298 -7.125 -7.125 27 1HD LYS 4 HD2 LYS 4 -10.988 -5.888 -5.888 28 2HD LYS 4 HD1 LYS 4 -10.656 -7.045 -7.045 29 1HE LYS 4 HE2 LYS 4 -9.002 -5.346 -5.346 30 2HE LYS 4 HE1 LYS 4 -9.668 -4.192 -4.192 31 1HZ LYS 4 HZ2 LYS 4 -11.870 -5.275 -5.275 32 2HZ LYS 4 HZ1 LYS 4 -10.781 -5.168 -5.168 33 3HZ LYS 4 HZ3 LYS 4 -11.176 -3.779 -3.779 34 H GLU 5 HN GLU 5 -7.756 -10.257 -10.257 35 HA GLU 5 HA GLU 5 -6.072 -10.902 -10.902 36 1HB GLU 5 HB2 GLU 5 -7.465 -12.627 -12.627 37 2HB GLU 5 HB1 GLU 5 -6.483 -13.351 -13.351 38 1HG GLU 5 HG2 GLU 5 -7.830 -12.255 -12.255 39 2HG GLU 5 HG1 GLU 5 -8.766 -11.414 -11.414 40 H PHE 6 HN PHE 6 -5.299 -10.786 -10.786 41 HA PHE 6 HA PHE 6 -3.016 -12.550 -12.550 42 1HB PHE 6 HB2 PHE 6 -4.346 -11.487 -11.487 43 2HB PHE 6 HB1 PHE 6 -3.170 -10.189 -10.189 44 HD1 PHE 6 HD2 PHE 6 -0.695 -11.608 -11.608 45 HD2 PHE 6 HD1 PHE 6 -3.740 -12.711 -12.711 46 HE1 PHE 6 HE2 PHE 6 0.952 -12.976 -12.976 47 HE2 PHE 6 HE1 PHE 6 -2.088 -14.078 -14.078 48 HZ PHE 6 HZ PHE 6 0.259 -14.213 -14.213 49 H MET 7 HN MET 7 -2.880 -9.013 -9.013 50 HA MET 7 HA MET 7 -0.227 -8.733 -8.733 51 1HB MET 7 HB2 MET 7 -0.569 -6.406 -6.406 52 2HB MET 7 HB1 MET 7 -1.684 -7.066 -7.066 53 1HG MET 7 HG2 MET 7 -3.473 -7.016 -7.016 54 2HG MET 7 HG1 MET 7 -2.340 -6.088 -6.088 55 1HE MET 7 HE1 MET 7 -3.900 -6.642 -6.642 56 2HE MET 7 HE3 MET 7 -5.182 -5.472 -5.472 57 3HE MET 7 HE2 MET 7 -3.953 -5.117 -5.117 58 H TRP 8 HN TRP 8 -3.333 -8.394 -8.394 59 HA TRP 8 HA TRP 8 -2.427 -7.388 -7.388 60 1HB TRP 8 HB2 TRP 8 -4.829 -7.913 -7.913 61 2HB TRP 8 HB1 TRP 8 -4.525 -9.549 -9.549 62 HD1 TRP 8 HD1 TRP 8 -4.955 -9.958 -9.958 63 HE1 TRP 8 HE1 TRP 8 -5.287 -8.473 -8.473 64 HE3 TRP 8 HE3 TRP 8 -4.009 -5.367 -5.367 65 HZ2 TRP 8 HZ2 TRP 8 -5.168 -5.705 -5.705 66 HZ3 TRP 8 HZ3 TRP 8 -4.124 -3.326 -3.326 67 HH2 TRP 8 HH2 TRP 8 -4.702 -3.489 -3.489 68 H ALA 9 HN ALA 9 -1.719 -10.450 -10.450 69 HA ALA 9 HA ALA 9 -1.130 -11.699 -11.699 70 1HB ALA 9 HB1 ALA 9 -0.652 -12.668 -12.668 71 2HB ALA 9 HB3 ALA 9 -0.408 -13.631 -13.631 72 3HB ALA 9 HB2 ALA 9 -2.028 -13.088 -13.088 73 H LEU 10 HN LEU 10 0.712 -10.640 -10.640 74 HA LEU 10 HA LEU 10 3.306 -11.216 -11.216 75 1HB LEU 10 HB2 LEU 10 2.444 -8.945 -8.945 76 2HB LEU 10 HB1 LEU 10 4.107 -9.464 -9.464 77 HG LEU 10 HG LEU 10 3.060 -11.841 -11.841 78 1HD1 LEU 10 HD11 LEU 10 0.809 -10.492 -10.492 79 2HD1 LEU 10 HD13 LEU 10 1.542 -10.052 -10.052 80 3HD1 LEU 10 HD12 LEU 10 1.265 -11.746 -11.746 81 1HD2 LEU 10 HD21 LEU 10 4.124 -9.586 -9.586 82 2HD2 LEU 10 HD23 LEU 10 4.909 -11.094 -11.094 83 3HD2 LEU 10 HD22 LEU 10 3.647 -11.104 -11.104 84 H LYS 11 HN LYS 11 0.980 -9.223 -9.223 85 HA LYS 11 HA LYS 11 2.765 -7.092 -7.092 86 1HB LYS 11 HB2 LYS 11 0.642 -6.336 -6.336 87 2HB LYS 11 HB1 LYS 11 -0.189 -7.653 -7.653 88 1HG LYS 11 HG2 LYS 11 0.043 -6.677 -6.677 89 2HG LYS 11 HG1 LYS 11 1.461 -5.740 -5.740 90 1HD LYS 11 HD2 LYS 11 0.190 -4.116 -4.116 91 2HD LYS 11 HD1 LYS 11 -1.179 -5.199 -5.199 92 1HE LYS 11 HE2 LYS 11 -2.030 -4.810 -4.810 93 2HE LYS 11 HE1 LYS 11 -0.434 -4.583 -4.583 94 1HZ LYS 11 HZ2 LYS 11 -1.538 -2.647 -2.647 95 2HZ LYS 11 HZ1 LYS 11 -1.902 -2.538 -2.538 96 3HZ LYS 11 HZ3 LYS 11 -0.293 -2.420 -2.420 97 H ASN 12 HN ASN 12 0.283 -8.841 -8.841 98 HA ASN 12 HA ASN 12 1.896 -8.558 -8.558 99 1HB ASN 12 HB2 ASN 12 -0.853 -9.301 -9.301 100 2HB ASN 12 HB1 ASN 12 -0.199 -10.253 -10.253 101 1HD2 ASN 12 HD21 ASN 12 -0.177 -9.250 -9.250 102 2HD2 ASN 12 HD22 ASN 12 -0.420 -7.591 -7.591 103 H GLY 13 HN GLY 13 2.490 -10.616 -10.616 104 1HA GLY 13 HA2 GLY 13 3.910 -12.498 -12.498 105 2HA GLY 13 HA1 GLY 13 3.690 -12.525 -12.525 106 H ASP 14 HN ASP 14 0.781 -12.428 -12.428 107 HA ASP 14 HA ASP 14 -0.060 -14.969 -14.969 108 1HB ASP 14 HB2 ASP 14 -1.342 -13.804 -13.804 109 2HB ASP 14 HB1 ASP 14 -2.067 -14.579 -14.579 110 H LEU 15 HN LEU 15 2.294 -15.430 -15.430 111 HA LEU 15 HA LEU 15 2.782 -16.086 -16.086 112 1HB LEU 15 HB2 LEU 15 4.372 -16.345 -16.345 113 2HB LEU 15 HB1 LEU 15 3.477 -17.745 -17.745 114 HG LEU 15 HG LEU 15 5.592 -18.160 -18.160 115 1HD1 LEU 15 HD12 LEU 15 3.229 -19.607 -19.607 116 2HD1 LEU 15 HD11 LEU 15 3.570 -19.635 -19.635 117 3HD1 LEU 15 HD13 LEU 15 4.774 -20.217 -20.217 118 1HD2 LEU 15 HD22 LEU 15 4.837 -16.394 -16.394 119 2HD2 LEU 15 HD21 LEU 15 5.542 -17.888 -17.888 120 3HD2 LEU 15 HD23 LEU 15 3.795 -17.667 -17.667 121 H ASP 16 HN ASP 16 0.609 -17.743 -17.743 122 HA ASP 16 HA ASP 16 0.338 -20.151 -20.151 123 1HB ASP 16 HB2 ASP 16 -1.728 -18.804 -18.804 124 2HB ASP 16 HB1 ASP 16 -1.645 -20.512 -20.512 125 H GLU 17 HN GLU 17 -1.080 -16.954 -16.954 126 HA GLU 17 HA GLU 17 -3.197 -17.790 -17.790 127 1HB GLU 17 HB2 GLU 17 -2.151 -15.185 -15.185 128 2HB GLU 17 HB1 GLU 17 -3.169 -15.172 -15.172 129 1HG GLU 17 HG2 GLU 17 -4.423 -14.931 -14.931 130 2HG GLU 17 HG1 GLU 17 -4.972 -16.253 -16.253 131 H VAL 18 HN VAL 18 -0.049 -16.122 -16.122 132 HA VAL 18 HA VAL 18 -0.339 -15.929 -15.929 133 HB VAL 18 HB VAL 18 2.385 -16.137 -16.137 134 1HG1 VAL 18 HG12 VAL 18 0.879 -14.217 -14.217 135 2HG1 VAL 18 HG11 VAL 18 0.997 -13.566 -13.566 136 3HG1 VAL 18 HG13 VAL 18 2.453 -13.817 -13.817 137 1HG2 VAL 18 HG21 VAL 18 1.715 -16.478 -16.478 138 2HG2 VAL 18 HG23 VAL 18 3.027 -15.374 -15.374 139 3HG2 VAL 18 HG22 VAL 18 1.427 -14.740 -14.740 140 H LYS 19 HN LYS 19 0.993 -18.320 -18.320 141 HA LYS 19 HA LYS 19 2.204 -20.097 -20.097 142 1HB LYS 19 HB2 LYS 19 2.162 -20.292 -20.292 143 2HB LYS 19 HB1 LYS 19 0.487 -20.785 -20.785 144 1HG LYS 19 HG2 LYS 19 1.781 -22.794 -22.794 145 2HG LYS 19 HG1 LYS 19 1.210 -22.696 -22.696 146 1HD LYS 19 HD2 LYS 19 3.612 -23.365 -23.365 147 2HD LYS 19 HD1 LYS 19 3.384 -21.889 -21.889 148 1HE LYS 19 HE2 LYS 19 5.280 -21.905 -21.905 149 2HE LYS 19 HE1 LYS 19 4.185 -20.528 -20.528 150 1HZ LYS 19 HZ1 LYS 19 3.675 -22.940 -22.940 151 2HZ LYS 19 HZ3 LYS 19 4.702 -21.710 -21.710 152 3HZ LYS 19 HZ2 LYS 19 3.073 -21.367 -21.367 153 H ASP 20 HN ASP 20 -1.213 -19.609 -19.609 154 HA ASP 20 HA ASP 20 -2.185 -21.947 -21.947 155 1HB ASP 20 HB2 ASP 20 -3.487 -20.413 -20.413 156 2HB ASP 20 HB1 ASP 20 -3.634 -19.302 -19.302 157 H TYR 21 HN TYR 21 -2.064 -18.574 -18.574 158 HA TYR 21 HA TYR 21 -2.899 -19.242 -19.242 159 1HB TYR 21 HB2 TYR 21 -1.198 -16.984 -16.984 160 2HB TYR 21 HB1 TYR 21 -1.633 -17.103 -17.103 161 HD1 TYR 21 HD1 TYR 21 -2.938 -16.659 -16.659 162 HD2 TYR 21 HD2 TYR 21 -3.903 -16.723 -16.723 163 HE1 TYR 21 HE1 TYR 21 -5.151 -15.657 -15.657 164 HE2 TYR 21 HE2 TYR 21 -6.117 -15.722 -15.722 165 HH TYR 21 HH TYR 21 -6.981 -14.142 -14.142 166 H VAL 22 HN VAL 22 0.424 -18.789 -18.789 167 HA VAL 22 HA VAL 22 1.642 -19.665 -19.665 168 HB VAL 22 HB VAL 22 2.670 -19.266 -19.266 169 1HG1 VAL 22 HG11 VAL 22 4.184 -20.185 -20.185 170 2HG1 VAL 22 HG13 VAL 22 4.958 -19.541 -19.541 171 3HG1 VAL 22 HG12 VAL 22 4.040 -21.042 -21.042 172 1HG2 VAL 22 HG21 VAL 22 2.030 -17.342 -17.342 173 2HG2 VAL 22 HG23 VAL 22 3.648 -17.292 -17.292 174 3HG2 VAL 22 HG22 VAL 22 3.421 -17.833 -17.833 175 H ALA 23 HN ALA 23 0.316 -21.375 -21.375 176 HA ALA 23 HA ALA 23 1.863 -23.767 -23.767 177 1HB ALA 23 HB1 ALA 23 -0.872 -23.128 -23.128 178 2HB ALA 23 HB3 ALA 23 -0.392 -24.814 -24.814 179 3HB ALA 23 HB2 ALA 23 0.542 -23.741 -23.741 180 H LYS 24 HN LYS 24 -0.501 -22.372 -22.372 181 HA LYS 24 HA LYS 24 -1.627 -24.663 -24.663 182 1HB LYS 24 HB2 LYS 24 -1.154 -21.834 -21.834 183 2HB LYS 24 HB1 LYS 24 -1.559 -22.996 -22.996 184 1HG LYS 24 HG2 LYS 24 -3.590 -21.916 -21.916 185 2HG LYS 24 HG1 LYS 24 -3.586 -23.650 -23.650 186 1HD LYS 24 HD2 LYS 24 -2.872 -23.295 -23.295 187 2HD LYS 24 HD1 LYS 24 -2.599 -21.581 -21.581 188 1HE LYS 24 HE2 LYS 24 -4.711 -21.704 -21.704 189 2HE LYS 24 HE1 LYS 24 -5.085 -21.434 -21.434 190 1HZ LYS 24 HZ1 LYS 24 -5.008 -24.068 -24.068 191 2HZ LYS 24 HZ3 LYS 24 -5.481 -23.812 -23.812 192 3HZ LYS 24 HZ2 LYS 24 -6.426 -23.195 -23.195 193 H GLY 25 HN GLY 25 0.844 -22.678 -22.678 194 1HA GLY 25 HA2 GLY 25 2.703 -24.844 -24.844 195 2HA GLY 25 HA1 GLY 25 1.717 -24.700 -24.700 196 H GLU 26 HN GLU 26 4.321 -23.380 -23.380 197 HA GLU 26 HA GLU 26 5.605 -21.415 -21.415 198 1HB GLU 26 HB2 GLU 26 6.474 -21.447 -21.447 199 2HB GLU 26 HB1 GLU 26 6.851 -22.796 -22.796 200 1HG GLU 26 HG2 GLU 26 4.972 -24.078 -24.078 201 2HG GLU 26 HG1 GLU 26 4.549 -22.722 -22.722 202 H ASP 27 HN ASP 27 4.053 -19.763 -19.763 203 HA ASP 27 HA ASP 27 3.331 -18.276 -18.276 204 1HB ASP 27 HB2 ASP 27 1.521 -18.911 -18.911 205 2HB ASP 27 HB1 ASP 27 1.199 -17.580 -17.580 206 H VAL 28 HN VAL 28 5.521 -18.078 -18.078 207 HA VAL 28 HA VAL 28 4.908 -15.764 -15.764 208 HB VAL 28 HB VAL 28 7.308 -15.998 -15.998 209 1HG1 VAL 28 HG13 VAL 28 5.635 -18.529 -18.529 210 2HG1 VAL 28 HG12 VAL 28 7.038 -18.273 -18.273 211 3HG1 VAL 28 HG11 VAL 28 5.607 -17.270 -17.270 212 1HG2 VAL 28 HG22 VAL 28 7.897 -16.965 -16.965 213 2HG2 VAL 28 HG21 VAL 28 8.717 -17.636 -17.636 214 3HG2 VAL 28 HG23 VAL 28 7.369 -18.502 -18.502 215 H ASN 29 HN ASN 29 4.325 -14.740 -14.740 216 HA ASN 29 HA ASN 29 6.254 -12.697 -12.697 217 1HB ASN 29 HB2 ASN 29 6.499 -13.374 -13.374 218 2HB ASN 29 HB1 ASN 29 7.528 -14.178 -14.178 219 1HD2 ASN 29 HD21 ASN 29 6.810 -16.390 -16.390 220 2HD2 ASN 29 HD22 ASN 29 5.854 -17.324 -17.324 221 H ARG 30 HN ARG 30 3.564 -12.783 -12.783 222 HA ARG 30 HA ARG 30 2.083 -11.989 -11.989 223 1HB ARG 30 HB2 ARG 30 1.110 -12.583 -12.583 224 2HB ARG 30 HB1 ARG 30 0.076 -12.158 -12.158 225 1HG ARG 30 HG2 ARG 30 0.834 -14.161 -14.161 226 2HG ARG 30 HG1 ARG 30 1.894 -14.580 -14.580 227 1HD ARG 30 HD2 ARG 30 0.113 -15.077 -15.077 228 2HD ARG 30 HD1 ARG 30 -1.045 -14.138 -14.138 229 HE ARG 30 HE ARG 30 -0.508 -16.932 -16.932 230 1HH1 ARG 30 HH21 ARG 30 -0.860 -14.083 -14.083 231 2HH1 ARG 30 HH22 ARG 30 -1.208 -14.951 -14.951 232 1HH2 ARG 30 HH11 ARG 30 -0.973 -18.073 -18.073 233 2HH2 ARG 30 HH12 ARG 30 -1.276 -17.209 -17.209 234 H THR 31 HN THR 31 1.579 -9.827 -9.827 235 HA THR 31 HA THR 31 2.822 -7.820 -7.820 236 HB THR 31 HB THR 31 0.217 -7.316 -7.316 237 HG1 THR 31 HG1 THR 31 2.788 -7.789 -7.789 238 1HG2 THR 31 HG23 THR 31 2.796 -5.760 -5.760 239 2HG2 THR 31 HG22 THR 31 1.397 -5.206 -5.206 240 3HG2 THR 31 HG21 THR 31 1.271 -5.438 -5.438 241 H LEU 32 HN LEU 32 2.506 -7.836 -7.836 242 HA LEU 32 HA LEU 32 0.332 -8.630 -8.630 243 1HB LEU 32 HB2 LEU 32 2.609 -7.861 -7.861 244 2HB LEU 32 HB1 LEU 32 2.029 -6.208 -6.208 245 HG LEU 32 HG LEU 32 0.463 -8.234 -8.234 246 1HD1 LEU 32 HD11 LEU 32 3.087 -7.025 -7.025 247 2HD1 LEU 32 HD13 LEU 32 1.863 -6.926 -6.926 248 3HD1 LEU 32 HD12 LEU 32 2.332 -8.495 -8.495 249 1HD2 LEU 32 HD23 LEU 32 0.670 -5.228 -5.228 250 2HD2 LEU 32 HD22 LEU 32 -0.769 -6.245 -6.245 251 3HD2 LEU 32 HD21 LEU 32 0.074 -5.993 -5.993 252 H GLU 33 HN GLU 33 0.812 -5.173 -5.173 253 HA GLU 33 HA GLU 33 -2.040 -4.703 -4.703 254 1HB GLU 33 HB2 GLU 33 -0.758 -3.263 -3.263 255 2HB GLU 33 HB1 GLU 33 0.410 -2.953 -2.953 256 1HG GLU 33 HG2 GLU 33 -1.059 -1.516 -1.516 257 2HG GLU 33 HG1 GLU 33 -2.474 -2.122 -2.122 258 H GLY 34 HN GLY 34 0.312 -3.047 -3.047 259 1HA GLY 34 HA2 GLY 34 -1.380 -3.701 -3.701 260 2HA GLY 34 HA1 GLY 34 -1.240 -1.993 -1.993 261 H GLY 35 HN GLY 35 1.605 -2.866 -2.866 262 1HA GLY 35 HA2 GLY 35 2.996 -3.395 -3.395 263 2HA GLY 35 HA1 GLY 35 3.193 -1.745 -1.745 264 H ARG 36 HN ARG 36 2.752 -4.094 -4.094 265 HA ARG 36 HA ARG 36 5.690 -4.029 -4.029 266 1HB ARG 36 HB2 ARG 36 3.647 -4.558 -4.558 267 2HB ARG 36 HB1 ARG 36 5.230 -3.791 -3.791 268 1HG ARG 36 HG2 ARG 36 4.181 -1.934 -1.934 269 2HG ARG 36 HG1 ARG 36 2.642 -2.621 -2.621 270 1HD ARG 36 HD2 ARG 36 2.820 -1.269 -1.269 271 2HD ARG 36 HD1 ARG 36 4.048 -2.395 -2.395 272 HE ARG 36 HE ARG 36 5.471 -0.696 -0.696 273 1HH1 ARG 36 HH21 ARG 36 3.254 -0.327 -0.327 274 2HH1 ARG 36 HH22 ARG 36 3.981 1.131 1.131 275 1HH2 ARG 36 HH11 ARG 36 6.436 1.204 1.204 276 2HH2 ARG 36 HH12 ARG 36 5.784 1.998 1.998 277 H LYS 37 HN LYS 37 6.163 -5.947 -5.947 278 HA LYS 37 HA LYS 37 4.890 -8.433 -8.433 279 1HB LYS 37 HB2 LYS 37 7.019 -9.481 -9.481 280 2HB LYS 37 HB1 LYS 37 7.275 -7.869 -7.869 281 1HG LYS 37 HG2 LYS 37 7.962 -8.821 -8.821 282 2HG LYS 37 HG1 LYS 37 9.092 -8.407 -8.407 283 1HD LYS 37 HD2 LYS 37 7.936 -6.092 -6.092 284 2HD LYS 37 HD1 LYS 37 7.272 -6.564 -6.564 285 1HE LYS 37 HE2 LYS 37 9.369 -6.617 -6.617 286 2HE LYS 37 HE1 LYS 37 10.226 -6.819 -6.819 287 1HZ LYS 37 HZ2 LYS 37 8.648 -4.383 -4.383 288 2HZ LYS 37 HZ1 LYS 37 10.181 -4.516 -4.516 289 3HZ LYS 37 HZ3 LYS 37 10.027 -4.613 -4.613 290 HA PRO 38 HA PRO 38 4.428 -9.602 -9.602 291 1HB PRO 38 HB2 PRO 38 5.050 -12.313 -12.313 292 2HB PRO 38 HB1 PRO 38 3.535 -11.615 -11.615 293 1HG PRO 38 HG2 PRO 38 5.727 -12.784 -12.784 294 2HG PRO 38 HG1 PRO 38 4.090 -12.362 -12.362 295 1HD PRO 38 HD2 PRO 38 6.546 -10.898 -10.898 296 2HD PRO 38 HD1 PRO 38 4.916 -10.508 -10.508 297 H LEU 39 HN LEU 39 7.205 -8.601 -8.601 298 HA LEU 39 HA LEU 39 8.551 -10.216 -10.216 299 1HB LEU 39 HB2 LEU 39 9.475 -10.470 -10.470 300 2HB LEU 39 HB1 LEU 39 10.056 -8.825 -8.825 301 HG LEU 39 HG LEU 39 11.766 -9.449 -9.449 302 1HD1 LEU 39 HD11 LEU 39 10.025 -11.644 -11.644 303 2HD1 LEU 39 HD13 LEU 39 11.648 -11.240 -11.240 304 3HD1 LEU 39 HD12 LEU 39 10.348 -10.081 -10.081 305 1HD2 LEU 39 HD21 LEU 39 11.741 -11.046 -11.046 306 2HD2 LEU 39 HD23 LEU 39 12.723 -11.534 -11.534 307 3HD2 LEU 39 HD22 LEU 39 11.139 -12.264 -12.264 308 H HIS 40 HN HIS 40 7.720 -7.077 -7.077 309 HA HIS 40 HA HIS 40 9.570 -5.618 -5.618 310 1HB HIS 40 HB2 HIS 40 8.522 -4.689 -4.689 311 2HB HIS 40 HB1 HIS 40 6.994 -4.608 -4.608 312 HD1 HIS 40 HD1 HIS 40 8.969 -3.904 -3.904 313 HD2 HIS 40 HD2 HIS 40 8.303 -1.736 -1.736 314 HE1 HIS 40 HE1 HIS 40 9.561 -1.495 -1.495 315 H TYR 41 HN TYR 41 6.106 -6.481 -6.481 316 HA TYR 41 HA TYR 41 5.663 -5.211 -5.211 317 1HB TYR 41 HB2 TYR 41 4.184 -7.532 -7.532 318 2HB TYR 41 HB1 TYR 41 3.590 -6.540 -6.540 319 HD1 TYR 41 HD1 TYR 41 4.734 -6.389 -6.389 320 HD2 TYR 41 HD2 TYR 41 2.514 -4.470 -4.470 321 HE1 TYR 41 HE1 TYR 41 3.889 -4.721 -4.721 322 HE2 TYR 41 HE2 TYR 41 1.665 -2.806 -2.806 323 HH TYR 41 HH TYR 41 1.619 -2.170 -2.170 324 H ALA 42 HN ALA 42 6.588 -8.458 -8.458 325 HA ALA 42 HA ALA 42 6.611 -9.636 -9.636 326 1HB ALA 42 HB2 ALA 42 6.655 -10.821 -10.821 327 2HB ALA 42 HB1 ALA 42 8.384 -10.494 -10.494 328 3HB ALA 42 HB3 ALA 42 7.661 -11.496 -11.496 329 H ALA 43 HN ALA 43 9.215 -8.413 -8.413 330 HA ALA 43 HA ALA 43 11.311 -8.682 -8.682 331 1HB ALA 43 HB1 ALA 43 10.982 -6.608 -6.608 332 2HB ALA 43 HB3 ALA 43 12.491 -6.984 -6.984 333 3HB ALA 43 HB2 ALA 43 11.724 -8.197 -8.197 334 H ASP 44 HN ASP 44 9.475 -5.760 -5.760 335 HA ASP 44 HA ASP 44 10.403 -4.085 -4.085 336 1HB ASP 44 HB2 ASP 44 9.074 -3.361 -3.361 337 2HB ASP 44 HB1 ASP 44 7.642 -4.074 -4.074 338 H CYS 45 HN CYS 45 7.899 -6.587 -6.587 339 HA CYS 45 HA CYS 45 7.913 -6.471 -6.471 340 1HB CYS 45 HB2 CYS 45 5.183 -6.123 -6.123 341 2HB CYS 45 HB1 CYS 45 6.293 -4.895 -4.895 342 HG CYS 45 HG CYS 45 4.961 -4.084 -4.084 343 H GLY 46 HN GLY 46 8.549 -8.677 -8.677 344 1HA GLY 46 HA2 GLY 46 6.053 -10.321 -10.321 345 2HA GLY 46 HA1 GLY 46 7.585 -10.714 -10.714 346 H GLN 47 HN GLN 47 7.469 -9.557 -9.557 347 HA GLN 47 HA GLN 47 8.267 -10.630 -10.630 348 1HB GLN 47 HB2 GLN 47 6.529 -12.690 -12.690 349 2HB GLN 47 HB1 GLN 47 7.430 -13.121 -13.121 350 1HG GLN 47 HG2 GLN 47 5.110 -12.287 -12.287 351 2HG GLN 47 HG1 GLN 47 6.370 -11.356 -11.356 352 1HE2 GLN 47 HE21 GLN 47 5.116 -11.252 -11.252 353 2HE2 GLN 47 HE22 GLN 47 4.754 -9.594 -9.594 354 H LEU 48 HN LEU 48 9.502 -10.909 -10.909 355 HA LEU 48 HA LEU 48 11.484 -11.671 -11.671 356 1HB LEU 48 HB2 LEU 48 11.891 -12.453 -12.453 357 2HB LEU 48 HB1 LEU 48 13.109 -12.703 -12.703 358 HG LEU 48 HG LEU 48 13.788 -10.584 -10.584 359 1HD1 LEU 48 HD11 LEU 48 12.310 -10.018 -10.018 360 2HD1 LEU 48 HD13 LEU 48 10.996 -9.696 -9.696 361 3HD1 LEU 48 HD12 LEU 48 12.439 -8.691 -8.691 362 1HD2 LEU 48 HD22 LEU 48 11.351 -10.341 -10.341 363 2HD2 LEU 48 HD21 LEU 48 13.020 -10.615 -10.615 364 3HD2 LEU 48 HD23 LEU 48 12.546 -9.056 -9.056 365 H GLU 49 HN GLU 49 9.155 -13.720 -13.720 366 HA GLU 49 HA GLU 49 10.547 -16.159 -16.159 367 1HB GLU 49 HB2 GLU 49 7.652 -16.060 -16.060 368 2HB GLU 49 HB1 GLU 49 8.813 -17.346 -17.346 369 1HG GLU 49 HG2 GLU 49 9.964 -15.838 -15.838 370 2HG GLU 49 HG1 GLU 49 8.582 -14.753 -14.753 371 H ILE 50 HN ILE 50 7.958 -13.991 -13.991 372 HA ILE 50 HA ILE 50 6.982 -15.540 -15.540 373 HB ILE 50 HB ILE 50 6.933 -12.541 -12.541 374 1HG1 ILE 50 HG12 ILE 50 5.757 -14.622 -14.622 375 2HG1 ILE 50 HG11 ILE 50 5.785 -12.889 -12.889 376 1HG2 ILE 50 HG21 ILE 50 6.254 -13.398 -13.398 377 2HG2 ILE 50 HG23 ILE 50 5.107 -14.490 -14.490 378 3HG2 ILE 50 HG22 ILE 50 4.869 -12.746 -12.746 379 1HD1 ILE 50 HD11 ILE 50 3.841 -14.120 -14.120 380 2HD1 ILE 50 HD13 ILE 50 3.491 -14.064 -14.064 381 3HD1 ILE 50 HD12 ILE 50 3.747 -12.572 -12.572 382 H LEU 51 HN LEU 51 9.320 -12.833 -12.833 383 HA LEU 51 HA LEU 51 9.646 -12.715 -12.715 384 1HB LEU 51 HB2 LEU 51 12.235 -12.331 -12.331 385 2HB LEU 51 HB1 LEU 51 11.019 -11.077 -11.077 386 HG LEU 51 HG LEU 51 12.218 -11.002 -11.002 387 1HD1 LEU 51 HD11 LEU 51 9.420 -11.137 -11.137 388 2HD1 LEU 51 HD13 LEU 51 9.840 -12.067 -12.067 389 3HD1 LEU 51 HD12 LEU 51 10.373 -10.400 -10.400 390 1HD2 LEU 51 HD21 LEU 51 12.664 -13.555 -13.555 391 2HD2 LEU 51 HD23 LEU 51 12.550 -12.806 -12.806 392 3HD2 LEU 51 HD22 LEU 51 11.176 -13.701 -13.701 393 H GLU 52 HN GLU 52 11.492 -14.837 -14.837 394 HA GLU 52 HA GLU 52 12.995 -16.156 -16.156 395 1HB GLU 52 HB2 GLU 52 11.890 -17.642 -17.642 396 2HB GLU 52 HB1 GLU 52 13.439 -17.848 -17.848 397 1HG GLU 52 HG2 GLU 52 14.160 -15.625 -15.625 398 2HG GLU 52 HG1 GLU 52 12.624 -15.482 -15.482 399 H PHE 53 HN PHE 53 9.700 -16.788 -16.788 400 HA PHE 53 HA PHE 53 9.292 -19.311 -19.311 401 1HB PHE 53 HB2 PHE 53 7.623 -18.492 -18.492 402 2HB PHE 53 HB1 PHE 53 7.402 -17.025 -17.025 403 HD1 PHE 53 HD1 PHE 53 7.450 -20.719 -20.719 404 HD2 PHE 53 HD2 PHE 53 5.432 -16.968 -16.968 405 HE1 PHE 53 HE1 PHE 53 5.735 -21.850 -21.850 406 HE2 PHE 53 HE2 PHE 53 3.712 -18.101 -18.101 407 HZ PHE 53 HZ PHE 53 3.866 -20.544 -20.544 408 H LEU 54 HN LEU 54 7.616 -16.562 -16.562 409 HA LEU 54 HA LEU 54 7.334 -17.873 -17.873 410 1HB LEU 54 HB2 LEU 54 6.740 -15.750 -15.750 411 2HB LEU 54 HB1 LEU 54 6.088 -15.830 -15.830 412 HG LEU 54 HG LEU 54 6.942 -13.676 -13.676 413 1HD1 LEU 54 HD11 LEU 54 7.930 -14.881 -14.881 414 2HD1 LEU 54 HD13 LEU 54 9.333 -15.277 -15.277 415 3HD1 LEU 54 HD12 LEU 54 8.990 -13.609 -13.609 416 1HD2 LEU 54 HD21 LEU 54 8.061 -14.084 -14.084 417 2HD2 LEU 54 HD23 LEU 54 8.820 -12.906 -12.906 418 3HD2 LEU 54 HD22 LEU 54 9.500 -14.522 -14.522 419 H LEU 55 HN LEU 55 10.224 -16.991 -16.991 420 HA LEU 55 HA LEU 55 11.577 -16.426 -16.426 421 1HB LEU 55 HB2 LEU 55 12.116 -15.464 -15.464 422 2HB LEU 55 HB1 LEU 55 13.103 -16.918 -16.918 423 HG LEU 55 HG LEU 55 13.257 -14.945 -14.945 424 1HD1 LEU 55 HD12 LEU 55 14.725 -15.042 -15.042 425 2HD1 LEU 55 HD11 LEU 55 15.473 -14.333 -14.333 426 3HD1 LEU 55 HD13 LEU 55 13.973 -13.658 -13.658 427 1HD2 LEU 55 HD21 LEU 55 14.815 -17.374 -17.374 428 2HD2 LEU 55 HD23 LEU 55 14.218 -16.953 -16.953 429 3HD2 LEU 55 HD22 LEU 55 15.611 -16.109 -16.109 430 H LEU 56 HN LEU 56 11.162 -19.004 -19.004 431 HA LEU 56 HA LEU 56 13.162 -20.802 -20.802 432 1HB LEU 56 HB2 LEU 56 10.309 -21.568 -21.568 433 2HB LEU 56 HB1 LEU 56 11.738 -22.588 -22.588 434 HG LEU 56 HG LEU 56 11.236 -20.039 -20.039 435 1HD1 LEU 56 HD13 LEU 56 9.750 -21.936 -21.936 436 2HD1 LEU 56 HD12 LEU 56 11.181 -22.928 -22.928 437 3HD1 LEU 56 HD11 LEU 56 10.880 -21.509 -21.509 438 1HD2 LEU 56 HD22 LEU 56 13.497 -22.037 -22.037 439 2HD2 LEU 56 HD21 LEU 56 13.585 -20.277 -20.277 440 3HD2 LEU 56 HD23 LEU 56 13.193 -21.076 -21.076 441 H LYS 57 HN LYS 57 9.842 -20.523 -20.523 442 HA LYS 57 HA LYS 57 10.164 -22.386 -22.386 443 1HB LYS 57 HB2 LYS 57 8.203 -20.213 -20.213 444 2HB LYS 57 HB1 LYS 57 8.180 -20.890 -20.890 445 1HG LYS 57 HG2 LYS 57 6.628 -22.082 -22.082 446 2HG LYS 57 HG1 LYS 57 7.892 -23.145 -23.145 447 1HD LYS 57 HD2 LYS 57 9.115 -23.055 -23.055 448 2HD LYS 57 HD1 LYS 57 8.166 -21.692 -21.692 449 1HE LYS 57 HE2 LYS 57 6.955 -24.402 -24.402 450 2HE LYS 57 HE1 LYS 57 7.552 -23.946 -23.946 451 1HZ LYS 57 HZ2 LYS 57 6.065 -21.929 -21.929 452 2HZ LYS 57 HZ1 LYS 57 5.329 -22.744 -22.744 453 3HZ LYS 57 HZ3 LYS 57 5.291 -23.419 -23.419 454 H GLY 58 HN GLY 58 9.137 -19.416 -19.416 455 1HA GLY 58 HA2 GLY 58 11.331 -19.379 -19.379 456 2HA GLY 58 HA1 GLY 58 10.108 -18.117 -18.117 457 H ALA 59 HN ALA 59 11.359 -16.261 -16.261 458 HA ALA 59 HA ALA 59 12.540 -15.669 -15.669 459 1HB ALA 59 HB2 ALA 59 14.252 -17.350 -17.350 460 2HB ALA 59 HB1 ALA 59 14.679 -16.111 -16.111 461 3HB ALA 59 HB3 ALA 59 14.883 -15.803 -15.803 462 H ASP 60 HN ASP 60 11.257 -13.781 -13.781 463 HA ASP 60 HA ASP 60 11.975 -12.081 -12.081 464 1HB ASP 60 HB2 ASP 60 9.722 -12.072 -12.072 465 2HB ASP 60 HB1 ASP 60 10.515 -11.299 -11.299 466 H ILE 61 HN ILE 61 13.667 -13.042 -13.042 467 HA ILE 61 HA ILE 61 14.710 -10.842 -10.842 468 HB ILE 61 HB ILE 61 15.167 -13.271 -13.271 469 1HG1 ILE 61 HG12 ILE 61 17.472 -11.328 -11.328 470 2HG1 ILE 61 HG11 ILE 61 16.579 -11.779 -11.779 471 1HG2 ILE 61 HG22 ILE 61 15.612 -13.711 -13.711 472 2HG2 ILE 61 HG21 ILE 61 17.205 -12.999 -12.999 473 3HG2 ILE 61 HG23 ILE 61 16.746 -14.463 -14.463 474 1HD1 ILE 61 HD12 ILE 61 17.498 -14.219 -14.219 475 2HD1 ILE 61 HD11 ILE 61 18.793 -13.195 -13.195 476 3HD1 ILE 61 HD13 ILE 61 18.377 -13.156 -13.156 477 H ASN 62 HN ASN 62 15.109 -11.694 -11.694 478 HA ASN 62 HA ASN 62 17.047 -9.457 -9.457 479 1HB ASN 62 HB2 ASN 62 18.328 -10.847 -10.847 480 2HB ASN 62 HB1 ASN 62 18.330 -11.559 -11.559 481 1HD2 ASN 62 HD21 ASN 62 15.781 -12.765 -12.765 482 2HD2 ASN 62 HD22 ASN 62 15.690 -13.968 -13.968 483 H ALA 63 HN ALA 63 14.885 -11.716 -11.716 484 HA ALA 63 HA ALA 63 14.512 -11.048 -11.048 485 1HB ALA 63 HB3 ALA 63 12.843 -12.126 -12.126 486 2HB ALA 63 HB2 ALA 63 11.996 -10.604 -10.604 487 3HB ALA 63 HB1 ALA 63 12.325 -11.685 -11.685 488 HA PRO 64 HA PRO 64 12.042 -6.773 -6.773 489 1HB PRO 64 HB2 PRO 64 14.627 -6.025 -6.025 490 2HB PRO 64 HB1 PRO 64 12.970 -5.559 -5.559 491 1HG PRO 64 HG2 PRO 64 14.449 -7.658 -7.658 492 2HG PRO 64 HG1 PRO 64 12.703 -7.394 -7.394 493 1HD PRO 64 HD2 PRO 64 13.932 -9.599 -9.599 494 2HD PRO 64 HD1 PRO 64 12.231 -9.165 -9.165 495 H ASP 65 HN ASP 65 12.022 -5.396 -5.396 496 HA ASP 65 HA ASP 65 14.496 -4.658 -4.658 497 1HB ASP 65 HB2 ASP 65 12.002 -5.943 -5.943 498 2HB ASP 65 HB1 ASP 65 13.005 -4.891 -4.891 499 H LYS 66 HN LYS 66 11.027 -4.187 -4.187 500 HA LYS 66 HA LYS 66 11.034 -1.459 -1.459 501 1HB LYS 66 HB2 LYS 66 9.087 -3.148 -3.148 502 2HB LYS 66 HB1 LYS 66 8.910 -2.761 -2.761 503 1HG LYS 66 HG2 LYS 66 9.000 -0.607 -0.607 504 2HG LYS 66 HG1 LYS 66 7.509 -1.414 -1.414 505 1HD LYS 66 HD2 LYS 66 8.534 -0.758 -0.758 506 2HD LYS 66 HD1 LYS 66 9.053 0.606 0.606 507 1HE LYS 66 HE2 LYS 66 6.681 0.832 0.832 508 2HE LYS 66 HE1 LYS 66 6.217 -0.401 -0.401 509 1HZ LYS 66 HZ1 LYS 66 7.269 1.041 1.041 510 2HZ LYS 66 HZ3 LYS 66 7.413 2.257 2.257 511 3HZ LYS 66 HZ2 LYS 66 5.875 1.697 1.697 512 H HIS 67 HN HIS 67 11.303 -3.118 -3.118 513 HA HIS 67 HA HIS 67 10.950 -0.745 -0.745 514 1HB HIS 67 HB2 HIS 67 11.830 -3.595 -3.595 515 2HB HIS 67 HB1 HIS 67 11.945 -2.408 -2.408 516 HD1 HIS 67 HD1 HIS 67 9.393 -0.863 -0.863 517 HD2 HIS 67 HD2 HIS 67 9.515 -4.985 -4.985 518 HE1 HIS 67 HE1 HIS 67 7.041 -1.716 -1.716 519 H HIS 68 HN HIS 68 13.332 -1.812 -1.812 520 HA HIS 68 HA HIS 68 15.667 -1.501 -1.501 521 1HB HIS 68 HB2 HIS 68 14.386 0.867 0.867 522 2HB HIS 68 HB1 HIS 68 15.337 1.109 1.109 523 HD1 HIS 68 HD1 HIS 68 17.900 1.285 1.285 524 HD2 HIS 68 HD2 HIS 68 15.938 0.581 0.581 525 HE1 HIS 68 HE1 HIS 68 19.616 1.641 1.641 526 H ILE 69 HN ILE 69 14.519 -2.604 -2.604 527 HA ILE 69 HA ILE 69 17.026 -2.383 -2.383 528 HB ILE 69 HB ILE 69 14.980 -0.580 -0.580 529 1HG1 ILE 69 HG12 ILE 69 17.350 -0.341 -0.341 530 2HG1 ILE 69 HG11 ILE 69 16.337 -0.060 -0.060 531 1HG2 ILE 69 HG21 ILE 69 13.639 -2.401 -2.401 532 2HG2 ILE 69 HG23 ILE 69 14.972 -2.772 -2.772 533 3HG2 ILE 69 HG22 ILE 69 14.144 -1.224 -1.224 534 1HD1 ILE 69 HD13 ILE 69 16.725 -2.665 -2.665 535 2HD1 ILE 69 HD12 ILE 69 18.157 -2.370 -2.370 536 3HD1 ILE 69 HD11 ILE 69 17.919 -1.493 -1.493 537 H THR 70 HN THR 70 17.231 -3.987 -3.987 538 HA THR 70 HA THR 70 15.254 -6.184 -6.184 539 HB THR 70 HB THR 70 17.306 -7.125 -7.125 540 HG1 THR 70 HG1 THR 70 16.686 -8.305 -8.305 541 1HG2 THR 70 HG22 THR 70 18.460 -5.091 -5.091 542 2HG2 THR 70 HG21 THR 70 19.414 -6.396 -6.396 543 3HG2 THR 70 HG23 THR 70 18.681 -5.183 -5.183 544 HA PRO 71 HA PRO 71 13.614 -5.330 -5.330 545 1HB PRO 71 HB2 PRO 71 13.568 -8.117 -8.117 546 2HB PRO 71 HB1 PRO 71 12.217 -7.077 -7.077 547 1HG PRO 71 HG2 PRO 71 13.235 -9.214 -9.214 548 2HG PRO 71 HG1 PRO 71 12.197 -7.919 -7.919 549 1HD PRO 71 HD2 PRO 71 15.094 -8.326 -8.326 550 2HD PRO 71 HD1 PRO 71 13.962 -7.353 -7.353 551 H LEU 72 HN LEU 72 16.730 -7.001 -7.001 552 HA LEU 72 HA LEU 72 16.885 -7.294 -7.294 553 1HB LEU 72 HB2 LEU 72 19.407 -6.360 -6.360 554 2HB LEU 72 HB1 LEU 72 19.094 -7.782 -7.782 555 HG LEU 72 HG LEU 72 19.669 -8.746 -8.746 556 1HD1 LEU 72 HD13 LEU 72 16.979 -8.938 -8.938 557 2HD1 LEU 72 HD12 LEU 72 16.967 -8.543 -8.543 558 3HD1 LEU 72 HD11 LEU 72 17.853 -9.938 -9.938 559 1HD2 LEU 72 HD23 LEU 72 19.977 -6.627 -6.627 560 2HD2 LEU 72 HD22 LEU 72 19.154 -7.799 -7.799 561 3HD2 LEU 72 HD21 LEU 72 18.237 -6.499 -6.499 562 H LEU 73 HN LEU 73 17.464 -4.493 -4.493 563 HA LEU 73 HA LEU 73 18.347 -2.817 -2.817 564 1HB LEU 73 HB2 LEU 73 17.168 -2.009 -2.009 565 2HB LEU 73 HB1 LEU 73 18.002 -0.943 -0.943 566 HG LEU 73 HG LEU 73 19.923 -2.748 -2.748 567 1HD1 LEU 73 HD13 LEU 73 18.054 -3.638 -3.638 568 2HD1 LEU 73 HD12 LEU 73 19.579 -3.185 -3.185 569 3HD1 LEU 73 HD11 LEU 73 19.555 -4.387 -4.387 570 1HD2 LEU 73 HD23 LEU 73 19.228 -0.531 -0.531 571 2HD2 LEU 73 HD22 LEU 73 20.429 -0.550 -0.550 572 3HD2 LEU 73 HD21 LEU 73 20.712 -1.458 -1.458 573 H SER 74 HN SER 74 15.251 -3.883 -3.883 574 HA SER 74 HA SER 74 13.595 -1.806 -1.806 575 1HB SER 74 HB2 SER 74 12.792 -3.729 -3.729 576 2HB SER 74 HB1 SER 74 12.995 -4.772 -4.772 577 HG SER 74 HG SER 74 11.614 -2.970 -2.970 578 H ALA 75 HN ALA 75 14.806 -4.710 -4.710 579 HA ALA 75 HA ALA 75 13.595 -4.025 -4.025 580 1HB ALA 75 HB3 ALA 75 15.879 -5.884 -5.884 581 2HB ALA 75 HB2 ALA 75 15.178 -5.755 -5.755 582 3HB ALA 75 HB1 ALA 75 14.193 -6.329 -6.329 583 H VAL 76 HN VAL 76 16.728 -3.416 -3.416 584 HA VAL 76 HA VAL 76 18.290 -2.583 -2.583 585 HB VAL 76 HB VAL 76 17.968 -1.398 -1.398 586 1HG1 VAL 76 HG11 VAL 76 18.997 0.165 0.165 587 2HG1 VAL 76 HG13 VAL 76 20.404 -0.862 -0.862 588 3HG1 VAL 76 HG12 VAL 76 19.730 0.065 0.065 589 1HG2 VAL 76 HG22 VAL 76 18.845 -3.702 -3.702 590 2HG2 VAL 76 HG21 VAL 76 20.079 -2.596 -2.596 591 3HG2 VAL 76 HG23 VAL 76 20.103 -3.113 -3.113 592 H TYR 77 HN TYR 77 16.276 -0.197 -0.197 593 HA TYR 77 HA TYR 77 16.395 1.647 1.647 594 1HB TYR 77 HB2 TYR 77 14.265 2.042 2.042 595 2HB TYR 77 HB1 TYR 77 15.446 3.189 3.189 596 HD1 TYR 77 HD2 TYR 77 17.692 3.343 3.343 597 HD2 TYR 77 HD1 TYR 77 14.789 0.568 0.568 598 HE1 TYR 77 HE2 TYR 77 19.079 2.994 2.994 599 HE2 TYR 77 HE1 TYR 77 16.176 0.224 0.224 600 HH TYR 77 HH TYR 77 17.916 1.400 1.400 601 H GLU 78 HN GLU 78 15.410 -0.769 -0.769 602 HA GLU 78 HA GLU 78 12.564 -0.047 -0.047 603 1HB GLU 78 HB2 GLU 78 12.979 -2.072 -2.072 604 2HB GLU 78 HB1 GLU 78 13.506 -2.904 -2.904 605 1HG GLU 78 HG2 GLU 78 11.195 -3.389 -3.389 606 2HG GLU 78 HG1 GLU 78 11.299 -2.117 -2.117 607 H GLY 79 HN GLY 79 15.601 -1.384 -1.384 608 1HA GLY 79 HA2 GLY 79 16.353 -1.235 -1.235 609 2HA GLY 79 HA1 GLY 79 14.683 -0.948 -0.948 610 H HIS 80 HN HIS 80 14.388 -3.301 -3.301 611 HA HIS 80 HA HIS 80 14.114 -5.392 -5.392 612 1HB HIS 80 HB2 HIS 80 13.497 -5.103 -5.103 613 2HB HIS 80 HB1 HIS 80 13.629 -6.724 -6.724 614 HD1 HIS 80 HD1 HIS 80 11.409 -7.588 -7.588 615 HD2 HIS 80 HD2 HIS 80 11.677 -3.488 -3.488 616 HE1 HIS 80 HE1 HIS 80 9.181 -6.886 -6.886 617 H VAL 81 HN VAL 81 15.826 -5.183 -5.183 618 HA VAL 81 HA VAL 81 17.657 -6.457 -6.457 619 HB VAL 81 HB VAL 81 19.682 -5.914 -5.914 620 1HG1 VAL 81 HG13 VAL 81 19.039 -4.828 -4.828 621 2HG1 VAL 81 HG12 VAL 81 18.175 -3.624 -3.624 622 3HG1 VAL 81 HG11 VAL 81 19.920 -3.799 -3.799 623 1HG2 VAL 81 HG22 VAL 81 18.218 -5.278 -5.278 624 2HG2 VAL 81 HG21 VAL 81 19.224 -3.934 -3.934 625 3HG2 VAL 81 HG23 VAL 81 17.524 -3.991 -3.991 626 H SER 82 HN SER 82 15.889 -7.778 -7.778 627 HA SER 82 HA SER 82 17.807 -9.766 -9.766 628 1HB SER 82 HB2 SER 82 14.886 -9.200 -9.200 629 2HB SER 82 HB1 SER 82 15.377 -10.887 -10.887 630 HG SER 82 HG SER 82 16.065 -10.401 -10.401 631 H CYS 83 HN CYS 83 15.839 -9.050 -9.050 632 HA CYS 83 HA CYS 83 15.716 -11.768 -11.768 633 1HB CYS 83 HB2 CYS 83 15.034 -10.179 -10.179 634 2HB CYS 83 HB1 CYS 83 13.897 -10.621 -10.621 635 HG CYS 83 HG CYS 83 14.132 -8.310 -8.310 636 H VAL 84 HN VAL 84 17.308 -8.683 -8.683 637 HA VAL 84 HA VAL 84 18.837 -9.452 -9.452 638 HB VAL 84 HB VAL 84 20.658 -7.989 -7.989 639 1HG1 VAL 84 HG12 VAL 84 18.597 -7.047 -7.047 640 2HG1 VAL 84 HG11 VAL 84 17.899 -6.841 -6.841 641 3HG1 VAL 84 HG13 VAL 84 19.346 -5.943 -5.943 642 1HG2 VAL 84 HG21 VAL 84 19.048 -8.311 -8.311 643 2HG2 VAL 84 HG23 VAL 84 20.791 -8.398 -8.398 644 3HG2 VAL 84 HG22 VAL 84 19.978 -6.839 -6.839 645 H LYS 85 HN LYS 85 19.469 -10.161 -10.161 646 HA LYS 85 HA LYS 85 21.928 -11.444 -11.444 647 1HB LYS 85 HB2 LYS 85 19.478 -11.873 -11.873 648 2HB LYS 85 HB1 LYS 85 20.913 -12.845 -12.845 649 1HG LYS 85 HG2 LYS 85 22.029 -10.357 -10.357 650 2HG LYS 85 HG1 LYS 85 20.450 -9.988 -9.988 651 1HD LYS 85 HD2 LYS 85 21.686 -10.483 -10.483 652 2HD LYS 85 HD1 LYS 85 20.955 -12.048 -12.048 653 1HE LYS 85 HE2 LYS 85 23.145 -12.367 -12.367 654 2HE LYS 85 HE1 LYS 85 23.791 -11.151 -11.151 655 1HZ LYS 85 HZ1 LYS 85 22.824 -12.632 -12.632 656 2HZ LYS 85 HZ3 LYS 85 22.742 -13.838 -13.838 657 3HZ LYS 85 HZ2 LYS 85 24.242 -13.156 -13.156 658 H LEU 86 HN LEU 86 19.012 -13.474 -13.474 659 HA LEU 86 HA LEU 86 20.295 -15.699 -15.699 660 1HB LEU 86 HB2 LEU 86 18.441 -16.886 -16.886 661 2HB LEU 86 HB1 LEU 86 18.138 -15.479 -15.479 662 HG LEU 86 HG LEU 86 16.115 -15.953 -15.953 663 1HD1 LEU 86 HD11 LEU 86 17.195 -13.535 -13.535 664 2HD1 LEU 86 HD13 LEU 86 17.025 -13.832 -13.832 665 3HD1 LEU 86 HD12 LEU 86 15.612 -13.894 -13.894 666 1HD2 LEU 86 HD23 LEU 86 17.668 -17.090 -17.090 667 2HD2 LEU 86 HD22 LEU 86 15.920 -16.950 -16.950 668 3HD2 LEU 86 HD21 LEU 86 16.894 -15.720 -15.720 669 H LEU 87 HN LEU 87 19.349 -12.898 -12.898 670 HA LEU 87 HA LEU 87 18.202 -14.033 -14.033 671 1HB LEU 87 HB2 LEU 87 18.574 -11.448 -11.448 672 2HB LEU 87 HB1 LEU 87 19.460 -11.468 -11.468 673 HG LEU 87 HG LEU 87 16.598 -12.421 -12.421 674 1HD1 LEU 87 HD11 LEU 87 17.729 -9.752 -9.752 675 2HD1 LEU 87 HD13 LEU 87 16.075 -10.262 -10.262 676 3HD1 LEU 87 HD12 LEU 87 16.612 -10.057 -10.057 677 1HD2 LEU 87 HD23 LEU 87 18.137 -13.237 -13.237 678 2HD2 LEU 87 HD22 LEU 87 16.578 -12.551 -12.551 679 3HD2 LEU 87 HD21 LEU 87 18.042 -11.582 -11.582 680 H LEU 88 HN LEU 88 21.304 -12.177 -12.177 681 HA LEU 88 HA LEU 88 22.269 -13.223 -13.223 682 1HB LEU 88 HB2 LEU 88 24.467 -12.575 -12.575 683 2HB LEU 88 HB1 LEU 88 23.376 -11.392 -11.392 684 HG LEU 88 HG LEU 88 24.971 -11.880 -11.880 685 1HD1 LEU 88 HD13 LEU 88 22.536 -11.920 -11.920 686 2HD1 LEU 88 HD12 LEU 88 22.650 -13.677 -13.677 687 3HD1 LEU 88 HD11 LEU 88 23.633 -12.720 -12.720 688 1HD2 LEU 88 HD22 LEU 88 25.370 -14.288 -14.288 689 2HD2 LEU 88 HD21 LEU 88 26.015 -13.867 -13.867 690 3HD2 LEU 88 HD23 LEU 88 24.523 -14.796 -14.796 691 H SER 89 HN SER 89 21.622 -14.938 -14.938 692 HA SER 89 HA SER 89 23.591 -16.964 -16.964 693 1HB SER 89 HB2 SER 89 21.525 -16.677 -16.677 694 2HB SER 89 HB1 SER 89 20.659 -17.605 -17.605 695 HG SER 89 HG SER 89 22.850 -18.915 -18.915 696 H LYS 90 HN LYS 90 21.143 -16.157 -16.157 697 HA LYS 90 HA LYS 90 21.576 -18.703 -18.703 698 1HB LYS 90 HB2 LYS 90 19.495 -16.515 -16.515 699 2HB LYS 90 HB1 LYS 90 19.621 -17.904 -17.904 700 1HG LYS 90 HG2 LYS 90 18.214 -18.927 -18.927 701 2HG LYS 90 HG1 LYS 90 19.623 -19.109 -19.109 702 1HD LYS 90 HD2 LYS 90 18.078 -18.088 -18.088 703 2HD LYS 90 HD1 LYS 90 19.001 -16.709 -16.709 704 1HE LYS 90 HE2 LYS 90 17.283 -16.222 -16.222 705 2HE LYS 90 HE1 LYS 90 16.390 -17.673 -17.673 706 1HZ LYS 90 HZ2 LYS 90 16.634 -16.478 -16.478 707 2HZ LYS 90 HZ1 LYS 90 16.581 -15.112 -15.112 708 3HZ LYS 90 HZ3 LYS 90 15.310 -16.236 -16.236 709 H GLY 91 HN GLY 91 22.316 -15.349 -15.349 710 1HA GLY 91 HA2 GLY 91 24.343 -14.963 -14.963 711 2HA GLY 91 HA1 GLY 91 23.180 -15.404 -15.404 712 H ALA 92 HN ALA 92 21.429 -13.970 -13.970 713 HA ALA 92 HA ALA 92 20.567 -11.815 -11.815 714 1HB ALA 92 HB2 ALA 92 20.492 -12.412 -12.412 715 2HB ALA 92 HB1 ALA 92 20.988 -10.729 -10.729 716 3HB ALA 92 HB3 ALA 92 19.484 -11.263 -11.263 717 H ASP 93 HN ASP 93 23.772 -12.256 -12.256 718 HA ASP 93 HA ASP 93 25.636 -10.765 -10.765 719 1HB ASP 93 HB2 ASP 93 24.559 -10.674 -10.674 720 2HB ASP 93 HB1 ASP 93 23.965 -9.092 -9.092 721 H LYS 94 HN LYS 94 24.750 -7.807 -7.807 722 HA LYS 94 HA LYS 94 23.372 -6.973 -6.973 723 1HB LYS 94 HB2 LYS 94 25.585 -7.385 -7.385 724 2HB LYS 94 HB1 LYS 94 26.326 -6.354 -6.354 725 1HG LYS 94 HG2 LYS 94 26.041 -5.098 -5.098 726 2HG LYS 94 HG1 LYS 94 25.000 -4.443 -4.443 727 1HD LYS 94 HD2 LYS 94 23.740 -6.580 -6.580 728 2HD LYS 94 HD1 LYS 94 24.161 -5.141 -5.141 729 1HE LYS 94 HE2 LYS 94 22.992 -3.866 -3.866 730 2HE LYS 94 HE1 LYS 94 22.216 -5.419 -5.419 731 1HZ LYS 94 HZ2 LYS 94 22.208 -4.765 -4.765 732 2HZ LYS 94 HZ1 LYS 94 21.493 -3.519 -3.519 733 3HZ LYS 94 HZ3 LYS 94 20.898 -5.103 -5.103 734 H THR 95 HN THR 95 25.094 -6.225 -6.225 735 HA THR 95 HA THR 95 23.472 -3.731 -3.731 736 HB THR 95 HB THR 95 25.490 -2.735 -2.735 737 HG1 THR 95 HG1 THR 95 26.966 -4.203 -4.203 738 1HG2 THR 95 HG21 THR 95 25.739 -3.401 -3.401 739 2HG2 THR 95 HG23 THR 95 26.601 -2.103 -2.103 740 3HG2 THR 95 HG22 THR 95 24.845 -2.042 -2.042 741 H VAL 96 HN VAL 96 22.700 -6.148 -6.148 742 HA VAL 96 HA VAL 96 23.670 -6.421 -6.421 743 HB VAL 96 HB VAL 96 21.694 -7.826 -7.826 744 1HG1 VAL 96 HG11 VAL 96 21.676 -7.918 -7.918 745 2HG1 VAL 96 HG13 VAL 96 21.001 -9.198 -9.198 746 3HG1 VAL 96 HG12 VAL 96 20.320 -7.575 -7.575 747 1HG2 VAL 96 HG23 VAL 96 24.226 -8.371 -8.371 748 2HG2 VAL 96 HG22 VAL 96 23.054 -9.686 -9.686 749 3HG2 VAL 96 HG21 VAL 96 23.607 -9.081 -9.081 750 H LYS 97 HN LYS 97 21.478 -4.336 -4.336 751 HA LYS 97 HA LYS 97 20.513 -3.437 -3.437 752 1HB LYS 97 HB2 LYS 97 18.866 -5.105 -5.105 753 2HB LYS 97 HB1 LYS 97 18.085 -3.579 -3.579 754 1HG LYS 97 HG2 LYS 97 19.368 -5.296 -5.296 755 2HG LYS 97 HG1 LYS 97 17.713 -5.576 -5.576 756 1HD LYS 97 HD2 LYS 97 16.982 -3.466 -3.466 757 2HD LYS 97 HD1 LYS 97 18.623 -2.824 -2.824 758 1HE LYS 97 HE2 LYS 97 19.108 -4.491 -4.491 759 2HE LYS 97 HE1 LYS 97 17.396 -4.917 -4.917 760 1HZ LYS 97 HZ3 LYS 97 17.106 -2.358 -2.358 761 2HZ LYS 97 HZ2 LYS 97 18.690 -2.422 -2.422 762 3HZ LYS 97 HZ1 LYS 97 17.448 -3.302 -3.302 763 H GLY 98 HN GLY 98 21.371 -2.747 -2.747 764 1HA GLY 98 HA2 GLY 98 19.670 -0.416 -0.416 765 2HA GLY 98 HA1 GLY 98 21.112 -0.803 -0.803 766 HA PRO 99 HA PRO 99 21.706 2.886 2.886 767 1HB PRO 99 HB2 PRO 99 23.034 3.866 3.866 768 2HB PRO 99 HB1 PRO 99 21.872 4.698 4.698 769 1HG PRO 99 HG2 PRO 99 21.315 3.579 3.579 770 2HG PRO 99 HG1 PRO 99 20.106 4.072 4.072 771 1HD PRO 99 HD2 PRO 99 20.783 1.384 1.384 772 2HD PRO 99 HD1 PRO 99 19.528 1.883 1.883 773 H ASP 100 HN ASP 100 23.958 2.269 2.269 774 HA ASP 100 HA ASP 100 25.799 0.760 0.760 775 1HB ASP 100 HB2 ASP 100 26.149 3.181 3.181 776 2HB ASP 100 HB1 ASP 100 26.699 3.494 3.494 777 H GLY 101 HN GLY 101 27.696 2.446 2.446 778 1HA GLY 101 HA2 GLY 101 27.891 0.321 0.321 779 2HA GLY 101 HA1 GLY 101 28.634 1.908 1.908 780 H LEU 102 HN LEU 102 25.359 2.380 2.380 781 HA LEU 102 HA LEU 102 24.883 3.475 3.475 782 1HB LEU 102 HB2 LEU 102 23.350 3.877 3.877 783 2HB LEU 102 HB1 LEU 102 22.744 2.228 2.228 784 HG LEU 102 HG LEU 102 22.756 4.167 4.167 785 1HD1 LEU 102 HD13 LEU 102 21.428 5.052 5.052 786 2HD1 LEU 102 HD12 LEU 102 20.349 3.677 3.677 787 3HD1 LEU 102 HD11 LEU 102 20.548 4.883 4.883 788 1HD2 LEU 102 HD22 LEU 102 21.650 1.453 1.453 789 2HD2 LEU 102 HD21 LEU 102 22.252 2.181 2.181 790 3HD2 LEU 102 HD23 LEU 102 20.630 2.551 2.551 791 H THR 103 HN THR 103 23.480 0.407 0.407 792 HA THR 103 HA THR 103 22.496 -1.185 -1.185 793 HB THR 103 HB THR 103 24.371 -2.356 -2.356 794 HG1 THR 103 HG1 THR 103 25.431 -2.477 -2.477 795 1HG2 THR 103 HG22 THR 103 25.988 -0.302 -0.302 796 2HG2 THR 103 HG21 THR 103 26.700 -1.759 -1.759 797 3HG2 THR 103 HG23 THR 103 25.928 -0.573 -0.573 798 H ALA 104 HN ALA 104 25.144 -1.027 -1.027 799 HA ALA 104 HA ALA 104 23.335 -0.018 -0.018 800 1HB ALA 104 HB2 ALA 104 25.915 -1.564 -1.564 801 2HB ALA 104 HB1 ALA 104 25.302 -0.846 -0.846 802 3HB ALA 104 HB3 ALA 104 24.348 -2.057 -2.057 803 H LEU 105 HN LEU 105 26.168 0.944 0.944 804 HA LEU 105 HA LEU 105 27.378 2.712 2.712 805 1HB LEU 105 HB2 LEU 105 27.174 3.163 3.163 806 2HB LEU 105 HB1 LEU 105 28.449 3.686 3.686 807 HG LEU 105 HG LEU 105 27.787 0.828 0.828 808 1HD1 LEU 105 HD12 LEU 105 29.135 2.278 2.278 809 2HD1 LEU 105 HD11 LEU 105 30.365 2.382 2.382 810 3HD1 LEU 105 HD13 LEU 105 29.952 0.818 0.818 811 1HD2 LEU 105 HD23 LEU 105 29.580 1.993 1.993 812 2HD2 LEU 105 HD22 LEU 105 28.418 0.674 0.674 813 3HD2 LEU 105 HD21 LEU 105 29.936 0.423 0.423 814 H GLU 106 HN GLU 106 25.462 3.910 3.910 815 HA GLU 106 HA GLU 106 25.022 6.415 6.415 816 1HB GLU 106 HB2 GLU 106 25.061 6.941 6.941 817 2HB GLU 106 HB1 GLU 106 24.584 5.337 5.337 818 1HG GLU 106 HG2 GLU 106 22.812 6.721 6.721 819 2HG GLU 106 HG1 GLU 106 22.195 6.013 6.013 820 H ALA 107 HN ALA 107 23.610 3.504 3.504 821 HA ALA 107 HA ALA 107 20.824 4.347 4.347 822 1HB ALA 107 HB1 ALA 107 22.267 1.926 1.926 823 2HB ALA 107 HB3 ALA 107 20.542 2.175 2.175 824 3HB ALA 107 HB2 ALA 107 21.189 2.032 2.032 825 H THR 108 HN THR 108 23.172 3.644 3.644 826 HA THR 108 HA THR 108 21.735 5.642 5.642 827 HB THR 108 HB THR 108 20.468 3.525 3.525 828 HG1 THR 108 HG1 THR 108 21.650 3.565 3.565 829 1HG2 THR 108 HG23 THR 108 22.757 2.235 2.235 830 2HG2 THR 108 HG22 THR 108 22.845 2.360 2.360 831 3HG2 THR 108 HG21 THR 108 21.481 1.541 1.541 832 H ASP 109 HN ASP 109 22.662 4.515 4.515 833 HA ASP 109 HA ASP 109 25.601 4.540 4.540 834 1HB ASP 109 HB2 ASP 109 24.781 6.914 6.914 835 2HB ASP 109 HB1 ASP 109 24.095 6.345 6.345 836 H ASN 110 HN ASN 110 22.768 3.199 3.199 837 HA ASN 110 HA ASN 110 23.762 2.486 2.486 838 1HB ASN 110 HB2 ASN 110 21.853 0.781 0.781 839 2HB ASN 110 HB1 ASN 110 21.386 2.470 2.470 840 1HD2 ASN 110 HD21 ASN 110 22.879 0.745 0.745 841 2HD2 ASN 110 HD22 ASN 110 21.505 0.717 0.717 842 H GLN 111 HN GLN 111 24.891 0.660 0.660 843 HA GLN 111 HA GLN 111 26.481 -0.539 -0.539 844 1HB GLN 111 HB2 GLN 111 27.389 -0.152 -0.152 845 2HB GLN 111 HB1 GLN 111 26.165 -1.174 -1.174 846 1HG GLN 111 HG2 GLN 111 27.124 -3.145 -3.145 847 2HG GLN 111 HG1 GLN 111 27.968 -2.313 -2.313 848 1HE2 GLN 111 HE21 GLN 111 30.120 -2.986 -2.986 849 2HE2 GLN 111 HE22 GLN 111 30.858 -2.482 -2.482 850 H ALA 112 HN ALA 112 23.322 -1.391 -1.391 851 HA ALA 112 HA ALA 112 23.757 -4.290 -4.290 852 1HB ALA 112 HB2 ALA 112 21.785 -3.247 -3.247 853 2HB ALA 112 HB1 ALA 112 21.152 -2.807 -2.807 854 3HB ALA 112 HB3 ALA 112 21.364 -4.505 -4.505 855 H ILE 113 HN ILE 113 22.624 -1.684 -1.684 856 HA ILE 113 HA ILE 113 22.151 -3.218 -3.218 857 HB ILE 113 HB ILE 113 22.540 -0.336 -0.336 858 1HG1 ILE 113 HG12 ILE 113 20.344 -0.224 -0.224 859 2HG1 ILE 113 HG11 ILE 113 20.344 -1.978 -1.978 860 1HG2 ILE 113 HG22 ILE 113 22.720 -1.457 -1.457 861 2HG2 ILE 113 HG21 ILE 113 22.144 0.184 0.184 862 3HG2 ILE 113 HG23 ILE 113 23.767 -0.280 -0.280 863 1HD1 ILE 113 HD13 ILE 113 20.868 -1.278 -1.278 864 2HD1 ILE 113 HD12 ILE 113 19.773 -0.001 -0.001 865 3HD1 ILE 113 HD11 ILE 113 19.275 -1.685 -1.685 866 H LYS 114 HN LYS 114 24.749 -1.074 -1.074 867 HA LYS 114 HA LYS 114 26.502 -1.488 -1.488 868 1HB LYS 114 HB2 LYS 114 27.332 -1.123 -1.123 869 2HB LYS 114 HB1 LYS 114 28.238 -0.642 -0.642 870 1HG LYS 114 HG2 LYS 114 25.507 0.476 0.476 871 2HG LYS 114 HG1 LYS 114 27.015 1.253 1.253 872 1HD LYS 114 HD2 LYS 114 27.653 1.251 1.251 873 2HD LYS 114 HD1 LYS 114 26.019 0.704 0.704 874 1HE LYS 114 HE2 LYS 114 25.844 3.037 3.037 875 2HE LYS 114 HE1 LYS 114 25.264 2.755 2.755 876 1HZ LYS 114 HZ1 LYS 114 27.486 3.243 3.243 877 2HZ LYS 114 HZ3 LYS 114 28.029 3.534 3.534 878 3HZ LYS 114 HZ2 LYS 114 26.863 4.554 4.554 879 H ALA 115 HN ALA 115 25.382 -3.663 -3.663 880 HA ALA 115 HA ALA 115 27.640 -5.402 -5.402 881 1HB ALA 115 HB2 ALA 115 25.384 -5.403 -5.403 882 2HB ALA 115 HB1 ALA 115 24.799 -6.399 -6.399 883 3HB ALA 115 HB3 ALA 115 26.157 -6.947 -6.947 884 H LEU 116 HN LEU 116 24.952 -5.181 -5.181 885 HA LEU 116 HA LEU 116 25.800 -7.535 -7.535 886 1HB LEU 116 HB2 LEU 116 23.773 -5.430 -5.430 887 2HB LEU 116 HB1 LEU 116 24.456 -5.974 -5.974 888 HG LEU 116 HG LEU 116 22.929 -7.572 -7.572 889 1HD1 LEU 116 HD11 LEU 116 22.708 -7.091 -7.091 890 2HD1 LEU 116 HD13 LEU 116 21.731 -8.276 -8.276 891 3HD1 LEU 116 HD12 LEU 116 21.593 -6.561 -6.561 892 1HD2 LEU 116 HD22 LEU 116 24.985 -8.558 -8.558 893 2HD2 LEU 116 HD21 LEU 116 24.559 -9.192 -9.192 894 3HD2 LEU 116 HD23 LEU 116 23.518 -9.507 -9.507 895 H LEU 117 HN LEU 117 26.952 -4.291 -4.291 896 HA LEU 117 HA LEU 117 28.174 -4.353 -4.353 897 1HB LEU 117 HB2 LEU 117 28.510 -2.143 -2.143 898 2HB LEU 117 HB1 LEU 117 27.561 -2.367 -2.367 899 HG LEU 117 HG LEU 117 29.806 -2.997 -2.997 900 1HD1 LEU 117 HD11 LEU 117 30.747 -2.551 -2.551 901 2HD1 LEU 117 HD13 LEU 117 31.351 -1.220 -1.220 902 3HD1 LEU 117 HD12 LEU 117 31.702 -2.881 -2.881 903 1HD2 LEU 117 HD22 LEU 117 28.395 -0.734 -0.734 904 2HD2 LEU 117 HD21 LEU 117 29.977 -0.819 -0.819 905 3HD2 LEU 117 HD23 LEU 117 29.812 -0.122 -0.122 906 H GLN 118 HN GLN 118 28.680 -6.088 -6.088 907 HA GLN 118 HA GLN 118 31.528 -5.981 -5.981 908 1HB GLN 118 HB2 GLN 118 31.266 -7.984 -7.984 909 2HB GLN 118 HB1 GLN 118 29.819 -7.024 -7.024 910 1HG GLN 118 HG2 GLN 118 28.871 -9.101 -9.101 911 2HG GLN 118 HG1 GLN 118 28.875 -8.372 -8.372 912 1HE2 GLN 118 HE21 GLN 118 29.266 -10.217 -10.217 913 2HE2 GLN 118 HE22 GLN 118 30.638 -11.203 -11.203 Start of MODEL 43 1 1H MET 1 HT2 MET 1 -7.797 -13.998 -13.998 2 2H MET 1 HT1 MET 1 -8.755 -15.086 -15.086 3 3H MET 1 HT3 MET 1 -8.460 -15.364 -15.364 4 HA MET 1 HA MET 1 -10.026 -13.932 -13.932 5 1HB MET 1 HB2 MET 1 -10.847 -14.315 -14.315 6 2HB MET 1 HB1 MET 1 -11.918 -13.809 -13.809 7 1HG MET 1 HG2 MET 1 -11.181 -15.968 -15.968 8 2HG MET 1 HG1 MET 1 -10.548 -16.474 -16.474 9 1HE MET 1 HE2 MET 1 -13.658 -15.010 -15.010 10 2HE MET 1 HE1 MET 1 -13.317 -16.669 -16.669 11 3HE MET 1 HE3 MET 1 -14.817 -16.286 -16.286 12 H CYS 2 HN CYS 2 -10.296 -12.645 -12.645 13 HA CYS 2 HA CYS 2 -10.128 -9.928 -9.928 14 1HB CYS 2 HB2 CYS 2 -10.243 -11.062 -11.062 15 2HB CYS 2 HB1 CYS 2 -10.260 -9.334 -9.334 16 HG CYS 2 HG CYS 2 -12.421 -10.900 -10.900 17 H ASP 3 HN ASP 3 -8.221 -9.002 -9.002 18 HA ASP 3 HA ASP 3 -5.654 -9.945 -9.945 19 1HB ASP 3 HB2 ASP 3 -6.585 -7.090 -7.090 20 2HB ASP 3 HB1 ASP 3 -4.892 -7.583 -7.583 21 H LYS 4 HN LYS 4 -7.751 -8.003 -8.003 22 HA LYS 4 HA LYS 4 -5.907 -7.024 -7.024 23 1HB LYS 4 HB2 LYS 4 -8.701 -8.091 -8.091 24 2HB LYS 4 HB1 LYS 4 -7.791 -7.037 -7.037 25 1HG LYS 4 HG2 LYS 4 -8.163 -6.154 -6.154 26 2HG LYS 4 HG1 LYS 4 -9.538 -6.027 -6.027 27 1HD LYS 4 HD2 LYS 4 -8.300 -4.628 -4.628 28 2HD LYS 4 HD1 LYS 4 -6.795 -4.916 -4.916 29 1HE LYS 4 HE2 LYS 4 -7.830 -3.846 -3.846 30 2HE LYS 4 HE1 LYS 4 -9.232 -3.440 -3.440 31 1HZ LYS 4 HZ3 LYS 4 -6.466 -2.638 -2.638 32 2HZ LYS 4 HZ2 LYS 4 -7.519 -1.655 -1.655 33 3HZ LYS 4 HZ1 LYS 4 -7.912 -2.087 -2.087 34 H GLU 5 HN GLU 5 -7.876 -9.978 -9.978 35 HA GLU 5 HA GLU 5 -6.584 -11.043 -11.043 36 1HB GLU 5 HB2 GLU 5 -8.572 -11.982 -11.982 37 2HB GLU 5 HB1 GLU 5 -7.345 -12.808 -12.808 38 1HG GLU 5 HG2 GLU 5 -6.418 -13.747 -13.747 39 2HG GLU 5 HG1 GLU 5 -7.837 -13.086 -13.086 40 H PHE 6 HN PHE 6 -5.385 -10.907 -10.907 41 HA PHE 6 HA PHE 6 -3.244 -12.829 -12.829 42 1HB PHE 6 HB2 PHE 6 -4.327 -11.810 -11.810 43 2HB PHE 6 HB1 PHE 6 -3.112 -10.556 -10.556 44 HD1 PHE 6 HD2 PHE 6 -1.006 -12.546 -12.546 45 HD2 PHE 6 HD1 PHE 6 -3.397 -12.637 -12.637 46 HE1 PHE 6 HE2 PHE 6 0.667 -14.004 -14.004 47 HE2 PHE 6 HE1 PHE 6 -1.717 -14.103 -14.103 48 HZ PHE 6 HZ PHE 6 0.317 -14.784 -14.784 49 H MET 7 HN MET 7 -2.895 -9.314 -9.314 50 HA MET 7 HA MET 7 -0.297 -9.090 -9.090 51 1HB MET 7 HB2 MET 7 -0.554 -6.779 -6.779 52 2HB MET 7 HB1 MET 7 -1.786 -7.356 -7.356 53 1HG MET 7 HG2 MET 7 -3.433 -7.238 -7.238 54 2HG MET 7 HG1 MET 7 -2.180 -6.378 -6.378 55 1HE MET 7 HE3 MET 7 -4.016 -6.852 -6.852 56 2HE MET 7 HE2 MET 7 -4.965 -5.372 -5.372 57 3HE MET 7 HE1 MET 7 -3.474 -5.540 -5.540 58 H TRP 8 HN TRP 8 -3.410 -8.806 -8.806 59 HA TRP 8 HA TRP 8 -2.624 -7.795 -7.795 60 1HB TRP 8 HB2 TRP 8 -4.964 -8.446 -8.446 61 2HB TRP 8 HB1 TRP 8 -4.551 -10.101 -10.101 62 HD1 TRP 8 HD1 TRP 8 -4.450 -10.703 -10.703 63 HE1 TRP 8 HE1 TRP 8 -4.987 -9.415 -9.415 64 HE3 TRP 8 HE3 TRP 8 -4.918 -5.979 -5.979 65 HZ2 TRP 8 HZ2 TRP 8 -5.543 -6.732 -6.732 66 HZ3 TRP 8 HZ3 TRP 8 -5.451 -4.077 -4.077 67 HH2 TRP 8 HH2 TRP 8 -5.764 -4.447 -4.447 68 H ALA 9 HN ALA 9 -1.698 -10.876 -10.876 69 HA ALA 9 HA ALA 9 -1.020 -11.949 -11.949 70 1HB ALA 9 HB1 ALA 9 -0.599 -13.070 -13.070 71 2HB ALA 9 HB3 ALA 9 -0.171 -13.908 -13.908 72 3HB ALA 9 HB2 ALA 9 -1.855 -13.526 -13.526 73 H LEU 10 HN LEU 10 0.800 -11.030 -11.030 74 HA LEU 10 HA LEU 10 3.403 -11.415 -11.415 75 1HB LEU 10 HB2 LEU 10 2.485 -9.243 -9.243 76 2HB LEU 10 HB1 LEU 10 4.153 -9.744 -9.744 77 HG LEU 10 HG LEU 10 2.987 -12.154 -12.154 78 1HD1 LEU 10 HD13 LEU 10 0.832 -10.881 -10.881 79 2HD1 LEU 10 HD12 LEU 10 1.672 -10.133 -10.133 80 3HD1 LEU 10 HD11 LEU 10 1.417 -11.878 -11.878 81 1HD2 LEU 10 HD23 LEU 10 4.273 -10.042 -10.042 82 2HD2 LEU 10 HD22 LEU 10 4.991 -11.517 -11.517 83 3HD2 LEU 10 HD21 LEU 10 3.819 -11.612 -11.612 84 H LYS 11 HN LYS 11 0.973 -9.446 -9.446 85 HA LYS 11 HA LYS 11 2.592 -7.174 -7.174 86 1HB LYS 11 HB2 LYS 11 0.313 -6.825 -6.825 87 2HB LYS 11 HB1 LYS 11 -0.320 -7.924 -7.924 88 1HG LYS 11 HG2 LYS 11 -0.671 -5.692 -5.692 89 2HG LYS 11 HG1 LYS 11 0.646 -6.386 -6.386 90 1HD LYS 11 HD2 LYS 11 1.661 -5.100 -5.100 91 2HD LYS 11 HD1 LYS 11 0.732 -3.967 -3.967 92 1HE LYS 11 HE2 LYS 11 2.084 -4.394 -4.394 93 2HE LYS 11 HE1 LYS 11 2.873 -5.765 -5.765 94 1HZ LYS 11 HZ1 LYS 11 3.009 -3.160 -3.160 95 2HZ LYS 11 HZ3 LYS 11 3.972 -3.403 -3.403 96 3HZ LYS 11 HZ2 LYS 11 4.145 -4.424 -4.424 97 H ASN 12 HN ASN 12 0.242 -9.132 -9.132 98 HA ASN 12 HA ASN 12 1.661 -8.602 -8.602 99 1HB ASN 12 HB2 ASN 12 -0.861 -9.958 -9.958 100 2HB ASN 12 HB1 ASN 12 -0.215 -10.327 -10.327 101 1HD2 ASN 12 HD21 ASN 12 0.623 -8.074 -8.074 102 2HD2 ASN 12 HD22 ASN 12 -0.531 -6.830 -6.830 103 H GLY 13 HN GLY 13 2.520 -10.702 -10.702 104 1HA GLY 13 HA2 GLY 13 4.053 -12.482 -12.482 105 2HA GLY 13 HA1 GLY 13 3.874 -12.411 -12.411 106 H ASP 14 HN ASP 14 0.954 -12.571 -12.571 107 HA ASP 14 HA ASP 14 0.237 -15.089 -15.089 108 1HB ASP 14 HB2 ASP 14 -1.121 -14.053 -14.053 109 2HB ASP 14 HB1 ASP 14 -1.800 -14.839 -14.839 110 H LEU 15 HN LEU 15 2.573 -15.528 -15.528 111 HA LEU 15 HA LEU 15 3.032 -16.267 -16.267 112 1HB LEU 15 HB2 LEU 15 4.684 -16.350 -16.350 113 2HB LEU 15 HB1 LEU 15 3.870 -17.762 -17.762 114 HG LEU 15 HG LEU 15 5.959 -18.158 -18.158 115 1HD1 LEU 15 HD11 LEU 15 3.621 -19.652 -19.652 116 2HD1 LEU 15 HD13 LEU 15 3.963 -19.800 -19.800 117 3HD1 LEU 15 HD12 LEU 15 5.183 -20.261 -20.261 118 1HD2 LEU 15 HD22 LEU 15 5.071 -16.527 -16.527 119 2HD2 LEU 15 HD21 LEU 15 5.810 -18.031 -18.031 120 3HD2 LEU 15 HD23 LEU 15 4.055 -17.874 -17.874 121 H ASP 16 HN ASP 16 1.036 -17.927 -17.927 122 HA ASP 16 HA ASP 16 0.802 -20.433 -20.433 123 1HB ASP 16 HB2 ASP 16 -1.370 -19.127 -19.127 124 2HB ASP 16 HB1 ASP 16 -0.994 -20.841 -20.841 125 H GLU 17 HN GLU 17 -0.789 -17.325 -17.325 126 HA GLU 17 HA GLU 17 -2.894 -18.322 -18.322 127 1HB GLU 17 HB2 GLU 17 -3.410 -16.382 -16.382 128 2HB GLU 17 HB1 GLU 17 -1.941 -15.560 -15.560 129 1HG GLU 17 HG2 GLU 17 -4.033 -14.760 -14.760 130 2HG GLU 17 HG1 GLU 17 -2.784 -15.336 -15.336 131 H VAL 18 HN VAL 18 0.136 -16.451 -16.451 132 HA VAL 18 HA VAL 18 -0.280 -16.334 -16.334 133 HB VAL 18 HB VAL 18 2.392 -16.127 -16.127 134 1HG1 VAL 18 HG12 VAL 18 0.198 -14.291 -14.291 135 2HG1 VAL 18 HG11 VAL 18 1.438 -13.711 -13.711 136 3HG1 VAL 18 HG13 VAL 18 1.835 -14.004 -14.004 137 1HG2 VAL 18 HG22 VAL 18 2.037 -16.869 -16.869 138 2HG2 VAL 18 HG21 VAL 18 3.241 -15.653 -15.653 139 3HG2 VAL 18 HG23 VAL 18 1.670 -15.161 -15.161 140 H LYS 19 HN LYS 19 1.071 -18.732 -18.732 141 HA LYS 19 HA LYS 19 2.459 -20.254 -20.254 142 1HB LYS 19 HB2 LYS 19 1.937 -20.502 -20.502 143 2HB LYS 19 HB1 LYS 19 1.340 -21.983 -21.983 144 1HG LYS 19 HG2 LYS 19 3.536 -22.228 -22.228 145 2HG LYS 19 HG1 LYS 19 4.118 -20.804 -20.804 146 1HD LYS 19 HD2 LYS 19 3.402 -22.086 -22.086 147 2HD LYS 19 HD1 LYS 19 3.404 -23.512 -23.512 148 1HE LYS 19 HE2 LYS 19 5.802 -22.373 -22.373 149 2HE LYS 19 HE1 LYS 19 5.691 -21.923 -21.923 150 1HZ LYS 19 HZ3 LYS 19 4.929 -24.472 -24.472 151 2HZ LYS 19 HZ2 LYS 19 6.015 -24.531 -24.531 152 3HZ LYS 19 HZ1 LYS 19 6.532 -23.960 -23.960 153 H ASP 20 HN ASP 20 -0.864 -19.934 -19.934 154 HA ASP 20 HA ASP 20 -1.824 -22.342 -22.342 155 1HB ASP 20 HB2 ASP 20 -3.112 -21.050 -21.050 156 2HB ASP 20 HB1 ASP 20 -3.302 -19.748 -19.748 157 H TYR 21 HN TYR 21 -1.553 -18.957 -18.957 158 HA TYR 21 HA TYR 21 -2.831 -19.334 -19.334 159 1HB TYR 21 HB2 TYR 21 -0.839 -17.335 -17.335 160 2HB TYR 21 HB1 TYR 21 -1.286 -17.327 -17.327 161 HD1 TYR 21 HD2 TYR 21 -3.703 -17.055 -17.055 162 HD2 TYR 21 HD1 TYR 21 -2.336 -16.529 -16.529 163 HE1 TYR 21 HE2 TYR 21 -5.800 -15.851 -15.851 164 HE2 TYR 21 HE1 TYR 21 -4.434 -15.325 -15.325 165 HH TYR 21 HH TYR 21 -6.598 -14.215 -14.215 166 H VAL 22 HN VAL 22 0.742 -19.099 -19.099 167 HA VAL 22 HA VAL 22 1.289 -20.048 -20.048 168 HB VAL 22 HB VAL 22 2.953 -18.795 -18.795 169 1HG1 VAL 22 HG11 VAL 22 2.459 -19.867 -19.867 170 2HG1 VAL 22 HG13 VAL 22 3.174 -21.366 -21.366 171 3HG1 VAL 22 HG12 VAL 22 4.176 -19.930 -19.930 172 1HG2 VAL 22 HG22 VAL 22 3.655 -20.255 -20.255 173 2HG2 VAL 22 HG21 VAL 22 4.894 -20.147 -20.147 174 3HG2 VAL 22 HG23 VAL 22 3.882 -21.584 -21.584 175 H ALA 23 HN ALA 23 0.346 -21.718 -21.718 176 HA ALA 23 HA ALA 23 1.569 -24.236 -24.236 177 1HB ALA 23 HB3 ALA 23 -0.703 -23.215 -23.215 178 2HB ALA 23 HB2 ALA 23 -1.070 -24.797 -24.797 179 3HB ALA 23 HB1 ALA 23 0.331 -24.594 -24.594 180 H LYS 24 HN LYS 24 -0.838 -22.507 -22.507 181 HA LYS 24 HA LYS 24 -2.165 -24.588 -24.588 182 1HB LYS 24 HB2 LYS 24 -1.530 -21.715 -21.715 183 2HB LYS 24 HB1 LYS 24 -2.172 -22.720 -22.720 184 1HG LYS 24 HG2 LYS 24 -3.529 -22.727 -22.727 185 2HG LYS 24 HG1 LYS 24 -3.818 -21.392 -21.392 186 1HD LYS 24 HD2 LYS 24 -4.841 -22.755 -22.755 187 2HD LYS 24 HD1 LYS 24 -4.026 -24.212 -24.212 188 1HE LYS 24 HE2 LYS 24 -5.441 -24.383 -24.383 189 2HE LYS 24 HE1 LYS 24 -6.031 -22.732 -22.732 190 1HZ LYS 24 HZ3 LYS 24 -6.449 -24.452 -24.452 191 2HZ LYS 24 HZ2 LYS 24 -7.309 -24.905 -24.905 192 3HZ LYS 24 HZ1 LYS 24 -7.508 -23.349 -23.349 193 H GLY 25 HN GLY 25 0.179 -22.531 -22.531 194 1HA GLY 25 HA2 GLY 25 1.940 -24.754 -24.754 195 2HA GLY 25 HA1 GLY 25 0.938 -24.289 -24.289 196 H GLU 26 HN GLU 26 3.470 -23.242 -23.242 197 HA GLU 26 HA GLU 26 4.834 -21.301 -21.301 198 1HB GLU 26 HB2 GLU 26 6.047 -21.305 -21.305 199 2HB GLU 26 HB1 GLU 26 6.234 -22.685 -22.685 200 1HG GLU 26 HG2 GLU 26 4.499 -23.911 -23.911 201 2HG GLU 26 HG1 GLU 26 4.219 -22.516 -22.516 202 H ASP 27 HN ASP 27 3.669 -19.430 -19.430 203 HA ASP 27 HA ASP 27 3.168 -17.970 -17.970 204 1HB ASP 27 HB2 ASP 27 1.154 -17.995 -17.995 205 2HB ASP 27 HB1 ASP 27 0.981 -17.217 -17.217 206 H VAL 28 HN VAL 28 5.337 -17.718 -17.718 207 HA VAL 28 HA VAL 28 4.719 -15.381 -15.381 208 HB VAL 28 HB VAL 28 7.066 -15.720 -15.720 209 1HG1 VAL 28 HG12 VAL 28 5.119 -16.800 -16.800 210 2HG1 VAL 28 HG11 VAL 28 5.299 -18.186 -18.186 211 3HG1 VAL 28 HG13 VAL 28 6.562 -17.810 -17.810 212 1HG2 VAL 28 HG22 VAL 28 7.566 -16.954 -16.954 213 2HG2 VAL 28 HG21 VAL 28 8.459 -17.356 -17.356 214 3HG2 VAL 28 HG23 VAL 28 7.117 -18.373 -18.373 215 H ASN 29 HN ASN 29 4.349 -14.372 -14.372 216 HA ASN 29 HA ASN 29 6.424 -12.471 -12.471 217 1HB ASN 29 HB2 ASN 29 6.830 -13.216 -13.216 218 2HB ASN 29 HB1 ASN 29 7.686 -14.091 -14.091 219 1HD2 ASN 29 HD21 ASN 29 6.617 -16.190 -16.190 220 2HD2 ASN 29 HD22 ASN 29 5.726 -17.069 -17.069 221 H ARG 30 HN ARG 30 3.645 -12.488 -12.488 222 HA ARG 30 HA ARG 30 2.466 -11.529 -11.529 223 1HB ARG 30 HB2 ARG 30 1.108 -12.252 -12.252 224 2HB ARG 30 HB1 ARG 30 0.293 -11.761 -11.761 225 1HG ARG 30 HG2 ARG 30 1.528 -13.751 -13.751 226 2HG ARG 30 HG1 ARG 30 1.816 -14.305 -14.305 227 1HD ARG 30 HD2 ARG 30 -0.586 -14.271 -14.271 228 2HD ARG 30 HD1 ARG 30 -0.920 -13.646 -13.646 229 HE ARG 30 HE ARG 30 -0.557 -16.401 -16.401 230 1HH1 ARG 30 HH21 ARG 30 0.385 -14.130 -14.130 231 2HH1 ARG 30 HH22 ARG 30 0.801 -15.353 -15.353 232 1HH2 ARG 30 HH11 ARG 30 -0.020 -17.987 -17.987 233 2HH2 ARG 30 HH12 ARG 30 0.571 -17.533 -17.533 234 H THR 31 HN THR 31 1.934 -9.365 -9.365 235 HA THR 31 HA THR 31 3.056 -7.466 -7.466 236 HB THR 31 HB THR 31 0.557 -6.820 -6.820 237 HG1 THR 31 HG1 THR 31 1.918 -8.149 -8.149 238 1HG2 THR 31 HG22 THR 31 1.747 -5.094 -5.094 239 2HG2 THR 31 HG21 THR 31 3.185 -5.361 -5.361 240 3HG2 THR 31 HG23 THR 31 1.724 -4.712 -4.712 241 H LEU 32 HN LEU 32 2.576 -7.920 -7.920 242 HA LEU 32 HA LEU 32 0.382 -8.713 -8.713 243 1HB LEU 32 HB2 LEU 32 2.586 -7.853 -7.853 244 2HB LEU 32 HB1 LEU 32 1.901 -6.236 -6.236 245 HG LEU 32 HG LEU 32 0.441 -8.450 -8.450 246 1HD1 LEU 32 HD12 LEU 32 3.010 -7.295 -7.295 247 2HD1 LEU 32 HD11 LEU 32 1.784 -6.893 -6.893 248 3HD1 LEU 32 HD13 LEU 32 2.106 -8.583 -8.583 249 1HD2 LEU 32 HD22 LEU 32 0.438 -5.433 -5.433 250 2HD2 LEU 32 HD21 LEU 32 -0.927 -6.539 -6.539 251 3HD2 LEU 32 HD23 LEU 32 -0.159 -6.311 -6.311 252 H GLU 33 HN GLU 33 0.641 -5.259 -5.259 253 HA GLU 33 HA GLU 33 -2.224 -4.927 -4.927 254 1HB GLU 33 HB2 GLU 33 -1.157 -3.486 -3.486 255 2HB GLU 33 HB1 GLU 33 0.153 -3.128 -3.128 256 1HG GLU 33 HG2 GLU 33 -1.250 -1.701 -1.701 257 2HG GLU 33 HG1 GLU 33 -2.702 -2.242 -2.242 258 H GLY 34 HN GLY 34 0.211 -3.140 -3.140 259 1HA GLY 34 HA2 GLY 34 -1.239 -3.775 -3.775 260 2HA GLY 34 HA1 GLY 34 -1.357 -2.086 -2.086 261 H GLY 35 HN GLY 35 1.451 -2.770 -2.770 262 1HA GLY 35 HA2 GLY 35 3.201 -2.977 -2.977 263 2HA GLY 35 HA1 GLY 35 3.130 -1.341 -1.341 264 H ARG 36 HN ARG 36 2.690 -4.150 -4.150 265 HA ARG 36 HA ARG 36 5.437 -3.805 -3.805 266 1HB ARG 36 HB2 ARG 36 3.110 -4.255 -4.255 267 2HB ARG 36 HB1 ARG 36 4.656 -3.471 -3.471 268 1HG ARG 36 HG2 ARG 36 3.955 -1.595 -1.595 269 2HG ARG 36 HG1 ARG 36 2.367 -2.350 -2.350 270 1HD ARG 36 HD2 ARG 36 1.838 -1.915 -1.915 271 2HD ARG 36 HD1 ARG 36 3.532 -1.752 -1.752 272 HE ARG 36 HE ARG 36 3.199 0.353 0.353 273 1HH1 ARG 36 HH21 ARG 36 1.406 -0.872 -0.872 274 2HH1 ARG 36 HH22 ARG 36 0.895 0.690 0.690 275 1HH2 ARG 36 HH11 ARG 36 2.544 2.405 2.405 276 2HH2 ARG 36 HH12 ARG 36 1.542 2.544 2.544 277 H LYS 37 HN LYS 37 6.328 -5.683 -5.683 278 HA LYS 37 HA LYS 37 4.972 -8.225 -8.225 279 1HB LYS 37 HB2 LYS 37 7.449 -9.039 -9.039 280 2HB LYS 37 HB1 LYS 37 7.087 -8.284 -8.284 281 1HG LYS 37 HG2 LYS 37 9.094 -7.306 -7.306 282 2HG LYS 37 HG1 LYS 37 7.822 -6.124 -6.124 283 1HD LYS 37 HD2 LYS 37 7.162 -6.099 -6.099 284 2HD LYS 37 HD1 LYS 37 8.023 -7.594 -7.594 285 1HE LYS 37 HE2 LYS 37 9.385 -5.900 -5.900 286 2HE LYS 37 HE1 LYS 37 10.154 -6.297 -6.297 287 1HZ LYS 37 HZ1 LYS 37 8.183 -4.099 -4.099 288 2HZ LYS 37 HZ3 LYS 37 9.858 -3.872 -3.872 289 3HZ LYS 37 HZ2 LYS 37 9.173 -4.408 -4.408 290 HA PRO 38 HA PRO 38 4.268 -9.439 -9.439 291 1HB PRO 38 HB2 PRO 38 5.017 -12.152 -12.152 292 2HB PRO 38 HB1 PRO 38 3.426 -11.483 -11.483 293 1HG PRO 38 HG2 PRO 38 5.519 -12.448 -12.448 294 2HG PRO 38 HG1 PRO 38 3.800 -12.173 -12.173 295 1HD PRO 38 HD2 PRO 38 5.941 -10.539 -10.539 296 2HD PRO 38 HD1 PRO 38 4.217 -10.123 -10.123 297 H LEU 39 HN LEU 39 7.026 -8.333 -8.333 298 HA LEU 39 HA LEU 39 8.336 -10.025 -10.025 299 1HB LEU 39 HB2 LEU 39 9.334 -10.170 -10.170 300 2HB LEU 39 HB1 LEU 39 9.920 -8.543 -8.543 301 HG LEU 39 HG LEU 39 11.581 -9.257 -9.257 302 1HD1 LEU 39 HD11 LEU 39 9.806 -11.512 -11.512 303 2HD1 LEU 39 HD13 LEU 39 11.426 -11.161 -11.161 304 3HD1 LEU 39 HD12 LEU 39 10.135 -9.997 -9.997 305 1HD2 LEU 39 HD21 LEU 39 11.656 -10.684 -10.684 306 2HD2 LEU 39 HD23 LEU 39 12.548 -11.323 -11.323 307 3HD2 LEU 39 HD22 LEU 39 10.967 -11.988 -11.988 308 H HIS 40 HN HIS 40 7.416 -6.882 -6.882 309 HA HIS 40 HA HIS 40 9.276 -5.357 -5.357 310 1HB HIS 40 HB2 HIS 40 8.080 -4.358 -4.358 311 2HB HIS 40 HB1 HIS 40 6.545 -4.589 -4.589 312 HD1 HIS 40 HD1 HIS 40 9.576 -2.420 -2.420 313 HD2 HIS 40 HD2 HIS 40 6.156 -2.850 -2.850 314 HE1 HIS 40 HE1 HIS 40 9.445 -0.356 -0.356 315 H TYR 41 HN TYR 41 5.861 -6.277 -6.277 316 HA TYR 41 HA TYR 41 5.656 -5.129 -5.129 317 1HB TYR 41 HB2 TYR 41 4.041 -7.450 -7.450 318 2HB TYR 41 HB1 TYR 41 3.540 -6.230 -6.230 319 HD1 TYR 41 HD1 TYR 41 4.559 -6.711 -6.711 320 HD2 TYR 41 HD2 TYR 41 2.639 -4.158 -4.158 321 HE1 TYR 41 HE1 TYR 41 3.800 -5.221 -5.221 322 HE2 TYR 41 HE2 TYR 41 1.874 -2.677 -2.677 323 HH TYR 41 HH TYR 41 1.590 -2.543 -2.543 324 H ALA 42 HN ALA 42 6.517 -8.310 -8.310 325 HA ALA 42 HA ALA 42 6.648 -9.625 -9.625 326 1HB ALA 42 HB2 ALA 42 6.638 -10.668 -10.668 327 2HB ALA 42 HB1 ALA 42 8.365 -10.316 -10.316 328 3HB ALA 42 HB3 ALA 42 7.694 -11.405 -11.405 329 H ALA 43 HN ALA 43 9.181 -8.380 -8.380 330 HA ALA 43 HA ALA 43 11.382 -8.674 -8.674 331 1HB ALA 43 HB1 ALA 43 10.779 -6.465 -6.465 332 2HB ALA 43 HB3 ALA 43 12.370 -6.774 -6.774 333 3HB ALA 43 HB2 ALA 43 11.615 -7.978 -7.978 334 H ASP 44 HN ASP 44 9.540 -5.648 -5.648 335 HA ASP 44 HA ASP 44 10.669 -4.178 -4.178 336 1HB ASP 44 HB2 ASP 44 7.950 -4.041 -4.041 337 2HB ASP 44 HB1 ASP 44 8.471 -2.881 -2.881 338 H CYS 45 HN CYS 45 7.924 -6.446 -6.446 339 HA CYS 45 HA CYS 45 8.244 -6.548 -6.548 340 1HB CYS 45 HB2 CYS 45 5.706 -5.497 -5.497 341 2HB CYS 45 HB1 CYS 45 5.839 -5.973 -5.973 342 HG CYS 45 HG CYS 45 7.326 -3.961 -3.961 343 H GLY 46 HN GLY 46 8.742 -8.685 -8.685 344 1HA GLY 46 HA2 GLY 46 6.204 -10.270 -10.270 345 2HA GLY 46 HA1 GLY 46 7.669 -10.643 -10.643 346 H GLN 47 HN GLN 47 7.827 -9.653 -9.653 347 HA GLN 47 HA GLN 47 8.742 -10.824 -10.824 348 1HB GLN 47 HB2 GLN 47 6.964 -12.907 -12.907 349 2HB GLN 47 HB1 GLN 47 7.853 -13.240 -13.240 350 1HG GLN 47 HG2 GLN 47 5.469 -12.399 -12.399 351 2HG GLN 47 HG1 GLN 47 6.709 -11.514 -11.514 352 1HE2 GLN 47 HE21 GLN 47 5.311 -11.386 -11.386 353 2HE2 GLN 47 HE22 GLN 47 5.141 -9.698 -9.698 354 H LEU 48 HN LEU 48 9.785 -10.951 -10.951 355 HA LEU 48 HA LEU 48 11.672 -11.705 -11.705 356 1HB LEU 48 HB2 LEU 48 12.375 -12.552 -12.552 357 2HB LEU 48 HB1 LEU 48 13.472 -12.678 -12.678 358 HG LEU 48 HG LEU 48 14.102 -10.561 -10.561 359 1HD1 LEU 48 HD13 LEU 48 11.267 -9.799 -9.799 360 2HD1 LEU 48 HD12 LEU 48 12.638 -8.699 -8.699 361 3HD1 LEU 48 HD11 LEU 48 12.624 -9.997 -9.997 362 1HD2 LEU 48 HD21 LEU 48 11.685 -10.490 -10.490 363 2HD2 LEU 48 HD23 LEU 48 13.379 -10.657 -10.657 364 3HD2 LEU 48 HD22 LEU 48 12.783 -9.121 -9.121 365 H GLU 49 HN GLU 49 9.428 -13.744 -13.744 366 HA GLU 49 HA GLU 49 10.797 -16.212 -16.212 367 1HB GLU 49 HB2 GLU 49 7.925 -16.245 -16.245 368 2HB GLU 49 HB1 GLU 49 9.205 -17.351 -17.351 369 1HG GLU 49 HG2 GLU 49 10.119 -15.504 -15.504 370 2HG GLU 49 HG1 GLU 49 8.630 -14.620 -14.620 371 H ILE 50 HN ILE 50 8.186 -14.063 -14.063 372 HA ILE 50 HA ILE 50 7.122 -15.587 -15.587 373 HB ILE 50 HB ILE 50 7.161 -12.589 -12.589 374 1HG1 ILE 50 HG12 ILE 50 6.009 -14.649 -14.649 375 2HG1 ILE 50 HG11 ILE 50 5.943 -12.909 -12.909 376 1HG2 ILE 50 HG23 ILE 50 6.403 -13.421 -13.421 377 2HG2 ILE 50 HG22 ILE 50 5.198 -14.425 -14.425 378 3HG2 ILE 50 HG21 ILE 50 5.098 -12.667 -12.667 379 1HD1 ILE 50 HD12 ILE 50 4.098 -14.278 -14.278 380 2HD1 ILE 50 HD11 ILE 50 3.710 -14.220 -14.220 381 3HD1 ILE 50 HD13 ILE 50 3.906 -12.722 -12.722 382 H LEU 51 HN LEU 51 9.340 -12.783 -12.783 383 HA LEU 51 HA LEU 51 9.702 -12.720 -12.720 384 1HB LEU 51 HB2 LEU 51 12.293 -12.303 -12.303 385 2HB LEU 51 HB1 LEU 51 11.057 -11.066 -11.066 386 HG LEU 51 HG LEU 51 12.343 -11.012 -11.012 387 1HD1 LEU 51 HD11 LEU 51 9.546 -11.119 -11.119 388 2HD1 LEU 51 HD13 LEU 51 9.981 -12.100 -12.100 389 3HD1 LEU 51 HD12 LEU 51 10.536 -10.431 -10.431 390 1HD2 LEU 51 HD22 LEU 51 12.777 -13.572 -13.572 391 2HD2 LEU 51 HD21 LEU 51 12.713 -12.808 -12.808 392 3HD2 LEU 51 HD23 LEU 51 11.311 -13.705 -13.705 393 H GLU 52 HN GLU 52 11.616 -14.843 -14.843 394 HA GLU 52 HA GLU 52 13.122 -16.115 -16.115 395 1HB GLU 52 HB2 GLU 52 12.076 -17.685 -17.685 396 2HB GLU 52 HB1 GLU 52 13.634 -17.812 -17.812 397 1HG GLU 52 HG2 GLU 52 14.256 -15.580 -15.580 398 2HG GLU 52 HG1 GLU 52 12.713 -15.540 -15.540 399 H PHE 53 HN PHE 53 9.893 -16.901 -16.901 400 HA PHE 53 HA PHE 53 9.511 -19.386 -19.386 401 1HB PHE 53 HB2 PHE 53 7.919 -18.500 -18.500 402 2HB PHE 53 HB1 PHE 53 7.523 -17.168 -17.168 403 HD1 PHE 53 HD1 PHE 53 7.806 -20.908 -20.908 404 HD2 PHE 53 HD2 PHE 53 5.535 -17.388 -17.388 405 HE1 PHE 53 HE1 PHE 53 6.101 -22.312 -22.312 406 HE2 PHE 53 HE2 PHE 53 3.830 -18.794 -18.794 407 HZ PHE 53 HZ PHE 53 4.111 -21.262 -21.262 408 H LEU 54 HN LEU 54 7.734 -16.633 -16.633 409 HA LEU 54 HA LEU 54 7.398 -17.915 -17.915 410 1HB LEU 54 HB2 LEU 54 6.752 -15.777 -15.777 411 2HB LEU 54 HB1 LEU 54 6.045 -15.984 -15.984 412 HG LEU 54 HG LEU 54 6.760 -13.825 -13.825 413 1HD1 LEU 54 HD13 LEU 54 9.360 -15.271 -15.271 414 2HD1 LEU 54 HD12 LEU 54 8.980 -13.643 -13.643 415 3HD1 LEU 54 HD11 LEU 54 8.055 -15.001 -15.001 416 1HD2 LEU 54 HD21 LEU 54 7.542 -13.712 -13.712 417 2HD2 LEU 54 HD23 LEU 54 8.565 -12.790 -12.790 418 3HD2 LEU 54 HD22 LEU 54 9.100 -14.363 -14.363 419 H LEU 55 HN LEU 55 10.302 -17.000 -17.000 420 HA LEU 55 HA LEU 55 11.538 -16.265 -16.265 421 1HB LEU 55 HB2 LEU 55 12.183 -15.374 -15.374 422 2HB LEU 55 HB1 LEU 55 13.067 -16.889 -16.889 423 HG LEU 55 HG LEU 55 13.413 -14.934 -14.934 424 1HD1 LEU 55 HD11 LEU 55 14.865 -15.246 -15.246 425 2HD1 LEU 55 HD13 LEU 55 15.637 -14.512 -14.512 426 3HD1 LEU 55 HD12 LEU 55 14.194 -13.776 -13.776 427 1HD2 LEU 55 HD22 LEU 55 14.679 -17.533 -17.533 428 2HD2 LEU 55 HD21 LEU 55 14.252 -16.962 -16.962 429 3HD2 LEU 55 HD23 LEU 55 15.681 -16.324 -16.324 430 H LEU 56 HN LEU 56 11.313 -18.972 -18.972 431 HA LEU 56 HA LEU 56 13.259 -20.708 -20.708 432 1HB LEU 56 HB2 LEU 56 10.511 -21.673 -21.673 433 2HB LEU 56 HB1 LEU 56 12.046 -22.522 -22.522 434 HG LEU 56 HG LEU 56 11.219 -20.052 -20.052 435 1HD1 LEU 56 HD12 LEU 56 10.174 -22.302 -22.302 436 2HD1 LEU 56 HD11 LEU 56 11.800 -22.840 -22.840 437 3HD1 LEU 56 HD13 LEU 56 11.059 -21.502 -21.502 438 1HD2 LEU 56 HD23 LEU 56 13.774 -21.671 -21.671 439 2HD2 LEU 56 HD22 LEU 56 13.586 -19.933 -19.933 440 3HD2 LEU 56 HD21 LEU 56 13.363 -20.639 -20.639 441 H LYS 57 HN LYS 57 9.861 -20.362 -20.362 442 HA LYS 57 HA LYS 57 9.971 -22.167 -22.167 443 1HB LYS 57 HB2 LYS 57 8.124 -19.936 -19.936 444 2HB LYS 57 HB1 LYS 57 7.954 -20.652 -20.652 445 1HG LYS 57 HG2 LYS 57 6.480 -21.835 -21.835 446 2HG LYS 57 HG1 LYS 57 7.808 -22.911 -22.911 447 1HD LYS 57 HD2 LYS 57 8.922 -22.525 -22.525 448 2HD LYS 57 HD1 LYS 57 7.842 -21.190 -21.190 449 1HE LYS 57 HE2 LYS 57 6.855 -24.021 -24.021 450 2HE LYS 57 HE1 LYS 57 7.330 -23.397 -23.397 451 1HZ LYS 57 HZ2 LYS 57 5.422 -21.883 -21.883 452 2HZ LYS 57 HZ1 LYS 57 4.878 -23.228 -23.228 453 3HZ LYS 57 HZ3 LYS 57 5.595 -21.919 -21.919 454 H GLY 58 HN GLY 58 8.924 -19.094 -19.094 455 1HA GLY 58 HA2 GLY 58 10.957 -19.028 -19.028 456 2HA GLY 58 HA1 GLY 58 9.740 -17.778 -17.778 457 H ALA 59 HN ALA 59 10.931 -15.889 -15.889 458 HA ALA 59 HA ALA 59 12.346 -15.394 -15.394 459 1HB ALA 59 HB1 ALA 59 14.083 -16.204 -16.204 460 2HB ALA 59 HB3 ALA 59 14.687 -15.159 -15.159 461 3HB ALA 59 HB2 ALA 59 14.140 -16.790 -16.790 462 H ASP 60 HN ASP 60 10.864 -13.591 -13.591 463 HA ASP 60 HA ASP 60 11.416 -11.732 -11.732 464 1HB ASP 60 HB2 ASP 60 9.195 -11.707 -11.707 465 2HB ASP 60 HB1 ASP 60 9.823 -11.518 -11.518 466 H ILE 61 HN ILE 61 13.210 -12.697 -12.697 467 HA ILE 61 HA ILE 61 14.174 -10.558 -10.558 468 HB ILE 61 HB ILE 61 14.883 -12.988 -12.988 469 1HG1 ILE 61 HG12 ILE 61 17.028 -10.851 -10.851 470 2HG1 ILE 61 HG11 ILE 61 16.177 -11.405 -11.405 471 1HG2 ILE 61 HG23 ILE 61 15.279 -12.952 -12.952 472 2HG2 ILE 61 HG22 ILE 61 16.843 -12.242 -12.242 473 3HG2 ILE 61 HG21 ILE 61 16.430 -13.848 -13.848 474 1HD1 ILE 61 HD12 ILE 61 17.172 -13.771 -13.771 475 2HD1 ILE 61 HD11 ILE 61 18.431 -12.665 -12.665 476 3HD1 ILE 61 HD13 ILE 61 18.010 -12.757 -12.757 477 H ASN 62 HN ASN 62 14.468 -11.150 -11.150 478 HA ASN 62 HA ASN 62 16.205 -8.748 -8.748 479 1HB ASN 62 HB2 ASN 62 17.268 -9.993 -9.993 480 2HB ASN 62 HB1 ASN 62 17.704 -10.534 -10.534 481 1HD2 ASN 62 HD21 ASN 62 14.530 -11.476 -11.476 482 2HD2 ASN 62 HD22 ASN 62 14.797 -13.054 -13.054 483 H ALA 63 HN ALA 63 13.791 -10.811 -10.811 484 HA ALA 63 HA ALA 63 13.198 -10.083 -10.083 485 1HB ALA 63 HB1 ALA 63 11.241 -9.893 -9.893 486 2HB ALA 63 HB3 ALA 63 10.771 -9.857 -9.857 487 3HB ALA 63 HB2 ALA 63 11.578 -11.278 -11.278 488 HA PRO 64 HA PRO 64 11.185 -5.628 -5.628 489 1HB PRO 64 HB2 PRO 64 13.935 -5.121 -5.121 490 2HB PRO 64 HB1 PRO 64 12.373 -4.486 -4.486 491 1HG PRO 64 HG2 PRO 64 13.738 -6.730 -6.730 492 2HG PRO 64 HG1 PRO 64 12.057 -6.275 -6.275 493 1HD PRO 64 HD2 PRO 64 12.896 -8.619 -8.619 494 2HD PRO 64 HD1 PRO 64 11.252 -7.964 -7.964 495 H ASP 65 HN ASP 65 11.144 -4.312 -4.312 496 HA ASP 65 HA ASP 65 13.540 -3.831 -3.831 497 1HB ASP 65 HB2 ASP 65 10.772 -4.714 -4.714 498 2HB ASP 65 HB1 ASP 65 11.892 -3.934 -3.934 499 H LYS 66 HN LYS 66 10.178 -2.933 -2.933 500 HA LYS 66 HA LYS 66 10.591 -0.179 -0.179 501 1HB LYS 66 HB2 LYS 66 8.466 -1.544 -1.544 502 2HB LYS 66 HB1 LYS 66 8.187 -1.331 -1.331 503 1HG LYS 66 HG2 LYS 66 7.056 0.481 0.481 504 2HG LYS 66 HG1 LYS 66 8.620 1.202 1.202 505 1HD LYS 66 HD2 LYS 66 9.275 0.803 0.803 506 2HD LYS 66 HD1 LYS 66 7.673 0.138 0.138 507 1HE LYS 66 HE2 LYS 66 7.545 2.404 2.404 508 2HE LYS 66 HE1 LYS 66 6.749 2.361 2.361 509 1HZ LYS 66 HZ1 LYS 66 9.429 2.758 2.758 510 2HZ LYS 66 HZ3 LYS 66 9.070 3.785 3.785 511 3HZ LYS 66 HZ2 LYS 66 8.179 3.900 3.900 512 H HIS 67 HN HIS 67 10.648 -2.010 -2.010 513 HA HIS 67 HA HIS 67 10.301 0.257 0.257 514 1HB HIS 67 HB2 HIS 67 11.544 -2.371 -2.371 515 2HB HIS 67 HB1 HIS 67 10.471 -1.336 -1.336 516 HD1 HIS 67 HD1 HIS 67 10.459 -3.961 -3.961 517 HD2 HIS 67 HD2 HIS 67 7.698 -1.614 -1.614 518 HE1 HIS 67 HE1 HIS 67 8.174 -4.914 -4.914 519 H HIS 68 HN HIS 68 12.748 -0.707 -0.707 520 HA HIS 68 HA HIS 68 15.080 -0.353 -0.353 521 1HB HIS 68 HB2 HIS 68 14.107 1.933 1.933 522 2HB HIS 68 HB1 HIS 68 14.169 2.080 2.080 523 HD1 HIS 68 HD1 HIS 68 17.030 0.225 0.225 524 HD2 HIS 68 HD2 HIS 68 16.111 4.233 4.233 525 HE1 HIS 68 HE1 HIS 68 19.227 1.488 1.488 526 H ILE 69 HN ILE 69 13.933 -1.818 -1.818 527 HA ILE 69 HA ILE 69 16.415 -1.730 -1.730 528 HB ILE 69 HB ILE 69 14.402 0.055 0.055 529 1HG1 ILE 69 HG12 ILE 69 16.826 0.260 0.260 530 2HG1 ILE 69 HG11 ILE 69 15.892 0.492 0.492 531 1HG2 ILE 69 HG22 ILE 69 13.161 -1.865 -1.865 532 2HG2 ILE 69 HG21 ILE 69 14.576 -2.258 -2.258 533 3HG2 ILE 69 HG23 ILE 69 13.723 -0.748 -0.748 534 1HD1 ILE 69 HD12 ILE 69 16.295 -2.117 -2.117 535 2HD1 ILE 69 HD11 ILE 69 17.678 -1.783 -1.783 536 3HD1 ILE 69 HD13 ILE 69 17.509 -0.957 -0.957 537 H THR 70 HN THR 70 16.580 -3.318 -3.318 538 HA THR 70 HA THR 70 14.659 -5.554 -5.554 539 HB THR 70 HB THR 70 16.694 -6.458 -6.458 540 HG1 THR 70 HG1 THR 70 16.263 -7.765 -7.765 541 1HG2 THR 70 HG23 THR 70 17.901 -4.472 -4.472 542 2HG2 THR 70 HG22 THR 70 18.867 -5.721 -5.721 543 3HG2 THR 70 HG21 THR 70 18.030 -4.494 -4.494 544 HA PRO 71 HA PRO 71 13.308 -4.983 -4.983 545 1HB PRO 71 HB2 PRO 71 13.377 -7.851 -7.851 546 2HB PRO 71 HB1 PRO 71 11.979 -6.793 -6.793 547 1HG PRO 71 HG2 PRO 71 12.734 -8.730 -8.730 548 2HG PRO 71 HG1 PRO 71 11.862 -7.254 -7.254 549 1HD PRO 71 HD2 PRO 71 14.749 -7.918 -7.918 550 2HD PRO 71 HD1 PRO 71 13.676 -6.943 -6.943 551 H LEU 72 HN LEU 72 16.463 -6.590 -6.590 552 HA LEU 72 HA LEU 72 16.808 -7.009 -7.009 553 1HB LEU 72 HB2 LEU 72 19.250 -5.989 -5.989 554 2HB LEU 72 HB1 LEU 72 19.007 -7.456 -7.456 555 HG LEU 72 HG LEU 72 19.451 -8.330 -8.330 556 1HD1 LEU 72 HD13 LEU 72 16.792 -8.553 -8.553 557 2HD1 LEU 72 HD12 LEU 72 16.677 -8.114 -8.114 558 3HD1 LEU 72 HD11 LEU 72 17.596 -9.531 -9.531 559 1HD2 LEU 72 HD22 LEU 72 19.655 -6.166 -6.166 560 2HD2 LEU 72 HD21 LEU 72 18.749 -7.300 -7.300 561 3HD2 LEU 72 HD23 LEU 72 17.901 -6.032 -6.032 562 H LEU 73 HN LEU 73 17.219 -4.105 -4.105 563 HA LEU 73 HA LEU 73 18.201 -2.533 -2.533 564 1HB LEU 73 HB2 LEU 73 16.889 -1.564 -1.564 565 2HB LEU 73 HB1 LEU 73 17.833 -0.587 -0.587 566 HG LEU 73 HG LEU 73 19.666 -2.465 -2.465 567 1HD1 LEU 73 HD13 LEU 73 17.630 -3.131 -3.131 568 2HD1 LEU 73 HD12 LEU 73 19.110 -2.668 -2.668 569 3HD1 LEU 73 HD11 LEU 73 19.126 -3.971 -3.971 570 1HD2 LEU 73 HD22 LEU 73 18.960 -0.121 -0.121 571 2HD2 LEU 73 HD21 LEU 73 20.237 -0.257 -0.257 572 3HD2 LEU 73 HD23 LEU 73 20.377 -1.107 -1.107 573 H SER 74 HN SER 74 15.065 -3.495 -3.495 574 HA SER 74 HA SER 74 13.478 -1.491 -1.491 575 1HB SER 74 HB2 SER 74 12.602 -3.310 -3.310 576 2HB SER 74 HB1 SER 74 12.850 -4.451 -4.451 577 HG SER 74 HG SER 74 11.206 -3.589 -3.589 578 H ALA 75 HN ALA 75 14.791 -4.506 -4.506 579 HA ALA 75 HA ALA 75 13.750 -4.021 -4.021 580 1HB ALA 75 HB3 ALA 75 15.847 -5.897 -5.897 581 2HB ALA 75 HB2 ALA 75 15.454 -5.828 -5.828 582 3HB ALA 75 HB1 ALA 75 14.215 -6.286 -6.286 583 H VAL 76 HN VAL 76 16.784 -3.320 -3.320 584 HA VAL 76 HA VAL 76 18.518 -2.704 -2.704 585 HB VAL 76 HB VAL 76 17.989 -1.333 -1.333 586 1HG1 VAL 76 HG13 VAL 76 19.107 0.121 0.121 587 2HG1 VAL 76 HG12 VAL 76 20.531 -0.779 -0.779 588 3HG1 VAL 76 HG11 VAL 76 19.646 0.219 0.219 589 1HG2 VAL 76 HG22 VAL 76 18.943 -3.624 -3.624 590 2HG2 VAL 76 HG21 VAL 76 20.102 -2.455 -2.455 591 3HG2 VAL 76 HG23 VAL 76 20.262 -3.058 -3.058 592 H TYR 77 HN TYR 77 16.501 -0.084 -0.084 593 HA TYR 77 HA TYR 77 16.824 1.538 1.538 594 1HB TYR 77 HB2 TYR 77 14.572 2.166 2.166 595 2HB TYR 77 HB1 TYR 77 15.859 3.215 3.215 596 HD1 TYR 77 HD1 TYR 77 14.895 0.738 0.738 597 HD2 TYR 77 HD2 TYR 77 17.984 3.390 3.390 598 HE1 TYR 77 HE1 TYR 77 16.063 0.503 0.503 599 HE2 TYR 77 HE2 TYR 77 19.145 3.147 3.147 600 HH TYR 77 HH TYR 77 19.272 1.643 1.643 601 H GLU 78 HN GLU 78 15.776 -0.994 -0.994 602 HA GLU 78 HA GLU 78 13.014 -0.248 -0.248 603 1HB GLU 78 HB2 GLU 78 13.277 -2.152 -2.152 604 2HB GLU 78 HB1 GLU 78 13.864 -3.107 -3.107 605 1HG GLU 78 HG2 GLU 78 11.521 -3.518 -3.518 606 2HG GLU 78 HG1 GLU 78 11.739 -2.340 -2.340 607 H GLY 79 HN GLY 79 16.150 -1.497 -1.497 608 1HA GLY 79 HA2 GLY 79 17.046 -1.671 -1.671 609 2HA GLY 79 HA1 GLY 79 15.426 -1.380 -1.380 610 H HIS 80 HN HIS 80 14.869 -3.552 -3.552 611 HA HIS 80 HA HIS 80 14.670 -5.782 -5.782 612 1HB HIS 80 HB2 HIS 80 13.887 -5.246 -5.246 613 2HB HIS 80 HB1 HIS 80 14.052 -6.927 -6.927 614 HD1 HIS 80 HD1 HIS 80 11.862 -7.856 -7.856 615 HD2 HIS 80 HD2 HIS 80 12.220 -3.814 -3.814 616 HE1 HIS 80 HE1 HIS 80 9.706 -7.203 -7.203 617 H VAL 81 HN VAL 81 16.224 -5.384 -5.384 618 HA VAL 81 HA VAL 81 17.967 -6.649 -6.649 619 HB VAL 81 HB VAL 81 20.079 -6.189 -6.189 620 1HG1 VAL 81 HG12 VAL 81 19.287 -5.069 -5.069 621 2HG1 VAL 81 HG11 VAL 81 18.522 -3.860 -3.860 622 3HG1 VAL 81 HG13 VAL 81 20.274 -4.075 -4.075 623 1HG2 VAL 81 HG21 VAL 81 18.690 -5.604 -5.604 624 2HG2 VAL 81 HG23 VAL 81 19.702 -4.262 -4.262 625 3HG2 VAL 81 HG22 VAL 81 17.984 -4.269 -4.269 626 H SER 82 HN SER 82 16.279 -8.071 -8.071 627 HA SER 82 HA SER 82 18.176 -10.159 -10.159 628 1HB SER 82 HB2 SER 82 15.315 -9.488 -9.488 629 2HB SER 82 HB1 SER 82 15.672 -11.213 -11.213 630 HG SER 82 HG SER 82 16.067 -9.601 -9.601 631 H CYS 83 HN CYS 83 16.168 -9.209 -9.209 632 HA CYS 83 HA CYS 83 15.893 -11.825 -11.825 633 1HB CYS 83 HB2 CYS 83 15.260 -9.943 -9.943 634 2HB CYS 83 HB1 CYS 83 14.112 -10.610 -10.610 635 HG CYS 83 HG CYS 83 14.980 -7.752 -7.752 636 H VAL 84 HN VAL 84 17.498 -8.727 -8.727 637 HA VAL 84 HA VAL 84 18.977 -9.379 -9.379 638 HB VAL 84 HB VAL 84 20.843 -8.004 -8.004 639 1HG1 VAL 84 HG12 VAL 84 18.698 -6.989 -6.989 640 2HG1 VAL 84 HG11 VAL 84 18.174 -6.806 -6.806 641 3HG1 VAL 84 HG13 VAL 84 19.618 -5.964 -5.964 642 1HG2 VAL 84 HG21 VAL 84 19.316 -8.491 -8.491 643 2HG2 VAL 84 HG23 VAL 84 21.048 -8.582 -8.582 644 3HG2 VAL 84 HG22 VAL 84 20.259 -7.010 -7.010 645 H LYS 85 HN LYS 85 19.702 -10.308 -10.308 646 HA LYS 85 HA LYS 85 22.147 -11.585 -11.585 647 1HB LYS 85 HB2 LYS 85 19.753 -12.200 -12.200 648 2HB LYS 85 HB1 LYS 85 21.269 -13.058 -13.058 649 1HG LYS 85 HG2 LYS 85 21.934 -10.289 -10.289 650 2HG LYS 85 HG1 LYS 85 20.575 -10.446 -10.446 651 1HD LYS 85 HD2 LYS 85 22.507 -10.759 -10.759 652 2HD LYS 85 HD1 LYS 85 21.872 -12.381 -12.381 653 1HE LYS 85 HE2 LYS 85 23.502 -12.780 -12.780 654 2HE LYS 85 HE1 LYS 85 24.066 -11.112 -11.112 655 1HZ LYS 85 HZ2 LYS 85 24.100 -12.570 -12.570 656 2HZ LYS 85 HZ1 LYS 85 25.180 -13.147 -13.147 657 3HZ LYS 85 HZ3 LYS 85 25.265 -11.530 -11.530 658 H LEU 86 HN LEU 86 19.262 -13.637 -13.637 659 HA LEU 86 HA LEU 86 20.479 -15.808 -15.808 660 1HB LEU 86 HB2 LEU 86 18.650 -17.034 -17.034 661 2HB LEU 86 HB1 LEU 86 18.437 -15.701 -15.701 662 HG LEU 86 HG LEU 86 16.334 -16.089 -16.089 663 1HD1 LEU 86 HD13 LEU 86 17.382 -13.647 -13.647 664 2HD1 LEU 86 HD12 LEU 86 17.150 -13.843 -13.843 665 3HD1 LEU 86 HD11 LEU 86 15.777 -13.978 -13.978 666 1HD2 LEU 86 HD22 LEU 86 17.726 -17.093 -17.093 667 2HD2 LEU 86 HD21 LEU 86 15.984 -16.882 -16.882 668 3HD2 LEU 86 HD23 LEU 86 16.978 -15.629 -15.629 669 H LEU 87 HN LEU 87 19.481 -12.963 -12.963 670 HA LEU 87 HA LEU 87 18.161 -13.898 -13.898 671 1HB LEU 87 HB2 LEU 87 18.718 -11.413 -11.413 672 2HB LEU 87 HB1 LEU 87 19.493 -11.352 -11.352 673 HG LEU 87 HG LEU 87 16.624 -12.206 -12.206 674 1HD1 LEU 87 HD13 LEU 87 17.774 -9.508 -9.508 675 2HD1 LEU 87 HD12 LEU 87 16.062 -9.935 -9.935 676 3HD1 LEU 87 HD11 LEU 87 16.884 -9.873 -9.873 677 1HD2 LEU 87 HD23 LEU 87 17.742 -13.009 -13.009 678 2HD2 LEU 87 HD22 LEU 87 16.467 -11.848 -11.848 679 3HD2 LEU 87 HD21 LEU 87 18.158 -11.346 -11.346 680 H LEU 88 HN LEU 88 21.307 -12.134 -12.134 681 HA LEU 88 HA LEU 88 22.101 -13.018 -13.018 682 1HB LEU 88 HB2 LEU 88 24.370 -12.494 -12.494 683 2HB LEU 88 HB1 LEU 88 23.370 -11.299 -11.299 684 HG LEU 88 HG LEU 88 25.028 -11.910 -11.910 685 1HD1 LEU 88 HD11 LEU 88 22.621 -11.968 -11.968 686 2HD1 LEU 88 HD13 LEU 88 22.729 -13.725 -13.725 687 3HD1 LEU 88 HD12 LEU 88 23.780 -12.831 -12.831 688 1HD2 LEU 88 HD23 LEU 88 25.289 -14.246 -14.246 689 2HD2 LEU 88 HD22 LEU 88 26.057 -13.934 -13.934 690 3HD2 LEU 88 HD21 LEU 88 24.537 -14.824 -14.824 691 H SER 89 HN SER 89 21.628 -14.930 -14.930 692 HA SER 89 HA SER 89 23.555 -16.978 -16.978 693 1HB SER 89 HB2 SER 89 21.642 -16.765 -16.765 694 2HB SER 89 HB1 SER 89 20.645 -17.570 -17.570 695 HG SER 89 HG SER 89 22.149 -18.742 -18.742 696 H LYS 90 HN LYS 90 20.934 -15.969 -15.969 697 HA LYS 90 HA LYS 90 21.178 -18.409 -18.409 698 1HB LYS 90 HB2 LYS 90 19.116 -16.191 -16.191 699 2HB LYS 90 HB1 LYS 90 19.136 -17.450 -17.450 700 1HG LYS 90 HG2 LYS 90 17.724 -18.468 -18.468 701 2HG LYS 90 HG1 LYS 90 19.250 -19.028 -19.028 702 1HD LYS 90 HD2 LYS 90 18.173 -18.167 -18.167 703 2HD LYS 90 HD1 LYS 90 19.144 -16.790 -16.790 704 1HE LYS 90 HE2 LYS 90 17.102 -15.735 -15.735 705 2HE LYS 90 HE1 LYS 90 16.948 -16.299 -16.299 706 1HZ LYS 90 HZ2 LYS 90 16.185 -18.371 -18.371 707 2HZ LYS 90 HZ1 LYS 90 15.358 -16.963 -16.963 708 3HZ LYS 90 HZ3 LYS 90 15.228 -17.526 -17.526 709 H GLY 91 HN GLY 91 21.961 -15.069 -15.069 710 1HA GLY 91 HA2 GLY 91 23.854 -14.625 -14.625 711 2HA GLY 91 HA1 GLY 91 22.565 -14.932 -14.932 712 H ALA 92 HN ALA 92 20.852 -13.396 -13.396 713 HA ALA 92 HA ALA 92 20.109 -11.165 -11.165 714 1HB ALA 92 HB3 ALA 92 20.135 -12.001 -12.001 715 2HB ALA 92 HB2 ALA 92 20.625 -10.308 -10.308 716 3HB ALA 92 HB1 ALA 92 19.089 -10.795 -10.795 717 H ASP 93 HN ASP 93 23.265 -11.791 -11.791 718 HA ASP 93 HA ASP 93 25.226 -10.442 -10.442 719 1HB ASP 93 HB2 ASP 93 24.244 -9.923 -9.923 720 2HB ASP 93 HB1 ASP 93 23.318 -8.613 -8.613 721 H LYS 94 HN LYS 94 23.657 -7.450 -7.450 722 HA LYS 94 HA LYS 94 23.185 -7.030 -7.030 723 1HB LYS 94 HB2 LYS 94 25.584 -7.026 -7.026 724 2HB LYS 94 HB1 LYS 94 25.763 -6.031 -6.031 725 1HG LYS 94 HG2 LYS 94 26.087 -4.709 -4.709 726 2HG LYS 94 HG1 LYS 94 24.696 -4.163 -4.163 727 1HD LYS 94 HD2 LYS 94 24.113 -6.256 -6.256 728 2HD LYS 94 HD1 LYS 94 24.623 -4.704 -4.704 729 1HE LYS 94 HE2 LYS 94 22.821 -3.892 -3.892 730 2HE LYS 94 HE1 LYS 94 22.110 -5.418 -5.418 731 1HZ LYS 94 HZ2 LYS 94 22.780 -4.352 -4.352 732 2HZ LYS 94 HZ1 LYS 94 22.445 -2.941 -2.941 733 3HZ LYS 94 HZ3 LYS 94 21.260 -4.146 -4.146 734 H THR 95 HN THR 95 24.411 -5.132 -5.132 735 HA THR 95 HA THR 95 21.803 -3.654 -3.654 736 HB THR 95 HB THR 95 23.183 -1.883 -1.883 737 HG1 THR 95 HG1 THR 95 22.288 -1.478 -1.478 738 1HG2 THR 95 HG22 THR 95 25.257 -3.245 -3.245 739 2HG2 THR 95 HG21 THR 95 25.400 -3.067 -3.067 740 3HG2 THR 95 HG23 THR 95 25.526 -1.651 -1.651 741 H VAL 96 HN VAL 96 21.694 -5.763 -5.763 742 HA VAL 96 HA VAL 96 22.949 -5.636 -5.636 743 HB VAL 96 HB VAL 96 21.502 -7.535 -7.535 744 1HG1 VAL 96 HG12 VAL 96 19.479 -6.795 -6.795 745 2HG1 VAL 96 HG11 VAL 96 20.302 -7.232 -7.232 746 3HG1 VAL 96 HG13 VAL 96 19.916 -8.473 -8.473 747 1HG2 VAL 96 HG23 VAL 96 23.612 -7.809 -7.809 748 2HG2 VAL 96 HG22 VAL 96 22.444 -9.118 -9.118 749 3HG2 VAL 96 HG21 VAL 96 22.594 -7.888 -7.888 750 H LYS 97 HN LYS 97 20.743 -3.656 -3.656 751 HA LYS 97 HA LYS 97 19.763 -2.825 -2.825 752 1HB LYS 97 HB2 LYS 97 18.187 -4.675 -4.675 753 2HB LYS 97 HB1 LYS 97 17.580 -3.324 -3.324 754 1HG LYS 97 HG2 LYS 97 16.199 -3.192 -3.192 755 2HG LYS 97 HG1 LYS 97 17.500 -2.094 -2.094 756 1HD LYS 97 HD2 LYS 97 18.622 -4.152 -4.152 757 2HD LYS 97 HD1 LYS 97 17.054 -4.939 -4.939 758 1HE LYS 97 HE2 LYS 97 16.030 -2.998 -2.998 759 2HE LYS 97 HE1 LYS 97 17.660 -2.393 -2.393 760 1HZ LYS 97 HZ1 LYS 97 17.607 -5.097 -5.097 761 2HZ LYS 97 HZ3 LYS 97 16.253 -4.367 -4.367 762 3HZ LYS 97 HZ2 LYS 97 17.808 -3.756 -3.756 763 H GLY 98 HN GLY 98 20.572 -2.093 -2.093 764 1HA GLY 98 HA2 GLY 98 18.992 0.324 0.324 765 2HA GLY 98 HA1 GLY 98 20.419 -0.097 -0.097 766 HA PRO 99 HA PRO 99 21.230 3.537 3.537 767 1HB PRO 99 HB2 PRO 99 22.728 4.396 4.396 768 2HB PRO 99 HB1 PRO 99 21.590 5.321 5.321 769 1HG PRO 99 HG2 PRO 99 21.043 4.259 4.259 770 2HG PRO 99 HG1 PRO 99 19.819 4.784 4.784 771 1HD PRO 99 HD2 PRO 99 20.461 2.065 2.065 772 2HD PRO 99 HD1 PRO 99 19.122 2.610 2.610 773 H ASP 100 HN ASP 100 23.633 2.870 2.870 774 HA ASP 100 HA ASP 100 25.228 1.181 1.181 775 1HB ASP 100 HB2 ASP 100 25.728 3.557 3.557 776 2HB ASP 100 HB1 ASP 100 26.390 3.849 3.849 777 H GLY 101 HN GLY 101 27.323 2.793 2.793 778 1HA GLY 101 HA2 GLY 101 27.584 0.630 0.630 779 2HA GLY 101 HA1 GLY 101 28.348 2.210 2.210 780 H LEU 102 HN LEU 102 25.034 2.723 2.723 781 HA LEU 102 HA LEU 102 24.695 3.701 3.701 782 1HB LEU 102 HB2 LEU 102 23.058 4.204 4.204 783 2HB LEU 102 HB1 LEU 102 22.463 2.547 2.547 784 HG LEU 102 HG LEU 102 22.621 4.319 4.319 785 1HD1 LEU 102 HD12 LEU 102 21.229 5.427 5.427 786 2HD1 LEU 102 HD11 LEU 102 20.163 4.019 4.019 787 3HD1 LEU 102 HD13 LEU 102 20.366 5.043 5.043 788 1HD2 LEU 102 HD23 LEU 102 21.458 1.681 1.681 789 2HD2 LEU 102 HD22 LEU 102 22.097 2.287 2.287 790 3HD2 LEU 102 HD21 LEU 102 20.467 2.715 2.715 791 H THR 103 HN THR 103 23.160 0.743 0.743 792 HA THR 103 HA THR 103 22.246 -0.928 -0.928 793 HB THR 103 HB THR 103 24.066 -2.123 -2.123 794 HG1 THR 103 HG1 THR 103 23.496 -2.593 -2.593 795 1HG2 THR 103 HG22 THR 103 25.814 -0.126 -0.126 796 2HG2 THR 103 HG21 THR 103 26.427 -1.558 -1.558 797 3HG2 THR 103 HG23 THR 103 25.601 -0.297 -0.297 798 H ALA 104 HN ALA 104 24.989 -0.866 -0.866 799 HA ALA 104 HA ALA 104 23.346 0.006 0.006 800 1HB ALA 104 HB3 ALA 104 25.761 -1.691 -1.691 801 2HB ALA 104 HB2 ALA 104 25.614 -0.841 -0.841 802 3HB ALA 104 HB1 ALA 104 24.353 -1.965 -1.965 803 H LEU 105 HN LEU 105 26.140 1.041 1.041 804 HA LEU 105 HA LEU 105 27.419 2.726 2.726 805 1HB LEU 105 HB2 LEU 105 27.112 3.318 3.318 806 2HB LEU 105 HB1 LEU 105 28.434 3.782 3.782 807 HG LEU 105 HG LEU 105 27.707 0.969 0.969 808 1HD1 LEU 105 HD11 LEU 105 28.970 2.603 2.603 809 2HD1 LEU 105 HD13 LEU 105 30.311 2.432 2.432 810 3HD1 LEU 105 HD12 LEU 105 29.687 1.016 1.016 811 1HD2 LEU 105 HD21 LEU 105 29.723 2.029 2.029 812 2HD2 LEU 105 HD23 LEU 105 28.496 0.790 0.790 813 3HD2 LEU 105 HD22 LEU 105 29.897 0.446 0.446 814 H GLU 106 HN GLU 106 25.332 4.049 4.049 815 HA GLU 106 HA GLU 106 25.048 6.509 6.509 816 1HB GLU 106 HB2 GLU 106 24.927 7.157 7.157 817 2HB GLU 106 HB1 GLU 106 24.471 5.554 5.554 818 1HG GLU 106 HG2 GLU 106 22.627 6.916 6.916 819 2HG GLU 106 HG1 GLU 106 22.119 6.117 6.117 820 H ALA 107 HN ALA 107 23.646 3.597 3.597 821 HA ALA 107 HA ALA 107 20.871 4.445 4.445 822 1HB ALA 107 HB2 ALA 107 22.341 1.937 1.937 823 2HB ALA 107 HB1 ALA 107 20.634 2.206 2.206 824 3HB ALA 107 HB3 ALA 107 21.194 2.128 2.128 825 H THR 108 HN THR 108 23.472 3.586 3.586 826 HA THR 108 HA THR 108 22.165 5.434 5.434 827 HB THR 108 HB THR 108 20.945 3.294 3.294 828 HG1 THR 108 HG1 THR 108 20.942 4.168 4.168 829 1HG2 THR 108 HG21 THR 108 23.157 2.042 2.042 830 2HG2 THR 108 HG23 THR 108 23.470 2.061 2.061 831 3HG2 THR 108 HG22 THR 108 22.024 1.270 1.270 832 H ASP 109 HN ASP 109 23.295 4.073 4.073 833 HA ASP 109 HA ASP 109 26.203 4.113 4.113 834 1HB ASP 109 HB2 ASP 109 25.567 6.478 6.478 835 2HB ASP 109 HB1 ASP 109 24.841 5.914 5.914 836 H ASN 110 HN ASN 110 23.443 2.767 2.767 837 HA ASN 110 HA ASN 110 24.638 1.908 1.908 838 1HB ASN 110 HB2 ASN 110 22.704 0.416 0.416 839 2HB ASN 110 HB1 ASN 110 22.158 2.025 2.025 840 1HD2 ASN 110 HD21 ASN 110 23.470 1.057 1.057 841 2HD2 ASN 110 HD22 ASN 110 22.154 0.263 0.263 842 H GLN 111 HN GLN 111 25.735 0.009 0.009 843 HA GLN 111 HA GLN 111 27.070 -1.097 -1.097 844 1HB GLN 111 HB2 GLN 111 28.282 -0.858 -0.858 845 2HB GLN 111 HB1 GLN 111 27.088 -1.761 -1.761 846 1HG GLN 111 HG2 GLN 111 27.779 -3.824 -3.824 847 2HG GLN 111 HG1 GLN 111 28.503 -3.084 -3.084 848 1HE2 GLN 111 HE21 GLN 111 30.737 -2.763 -2.763 849 2HE2 GLN 111 HE22 GLN 111 31.661 -2.775 -2.775 850 H ALA 112 HN ALA 112 23.968 -1.858 -1.858 851 HA ALA 112 HA ALA 112 24.240 -4.777 -4.777 852 1HB ALA 112 HB1 ALA 112 22.440 -3.730 -3.730 853 2HB ALA 112 HB3 ALA 112 21.714 -3.113 -3.113 854 3HB ALA 112 HB2 ALA 112 21.827 -4.852 -4.852 855 H ILE 113 HN ILE 113 23.113 -2.048 -2.048 856 HA ILE 113 HA ILE 113 22.415 -3.495 -3.495 857 HB ILE 113 HB ILE 113 22.969 -0.633 -0.633 858 1HG1 ILE 113 HG12 ILE 113 20.676 -0.405 -0.405 859 2HG1 ILE 113 HG11 ILE 113 20.607 -2.160 -2.160 860 1HG2 ILE 113 HG22 ILE 113 22.689 -1.674 -1.674 861 2HG2 ILE 113 HG21 ILE 113 22.513 0.026 0.026 862 3HG2 ILE 113 HG23 ILE 113 24.052 -0.778 -0.778 863 1HD1 ILE 113 HD13 ILE 113 21.413 -1.486 -1.486 864 2HD1 ILE 113 HD12 ILE 113 20.217 -0.262 -0.262 865 3HD1 ILE 113 HD11 ILE 113 19.790 -1.969 -1.969 866 H LYS 114 HN LYS 114 25.121 -1.446 -1.446 867 HA LYS 114 HA LYS 114 26.739 -1.899 -1.899 868 1HB LYS 114 HB2 LYS 114 27.783 -1.555 -1.555 869 2HB LYS 114 HB1 LYS 114 28.561 -1.050 -1.050 870 1HG LYS 114 HG2 LYS 114 25.885 0.056 0.056 871 2HG LYS 114 HG1 LYS 114 27.416 0.823 0.823 872 1HD LYS 114 HD2 LYS 114 27.864 0.725 0.725 873 2HD LYS 114 HD1 LYS 114 26.126 0.464 0.464 874 1HE LYS 114 HE2 LYS 114 26.622 2.849 2.849 875 2HE LYS 114 HE1 LYS 114 25.733 2.539 2.539 876 1HZ LYS 114 HZ1 LYS 114 28.687 2.619 2.619 877 2HZ LYS 114 HZ3 LYS 114 27.758 4.016 4.016 878 3HZ LYS 114 HZ2 LYS 114 27.667 2.728 2.728 879 H ALA 115 HN ALA 115 25.637 -4.046 -4.046 880 HA ALA 115 HA ALA 115 27.827 -5.865 -5.865 881 1HB ALA 115 HB2 ALA 115 25.596 -5.878 -5.878 882 2HB ALA 115 HB1 ALA 115 24.947 -6.765 -6.765 883 3HB ALA 115 HB3 ALA 115 26.295 -7.429 -7.429 884 H LEU 116 HN LEU 116 25.150 -5.487 -5.487 885 HA LEU 116 HA LEU 116 25.937 -7.789 -7.789 886 1HB LEU 116 HB2 LEU 116 24.037 -5.542 -5.542 887 2HB LEU 116 HB1 LEU 116 24.707 -6.096 -6.096 888 HG LEU 116 HG LEU 116 23.126 -7.688 -7.688 889 1HD1 LEU 116 HD13 LEU 116 22.786 -6.979 -6.979 890 2HD1 LEU 116 HD12 LEU 116 21.797 -8.187 -8.187 891 3HD1 LEU 116 HD11 LEU 116 21.749 -6.502 -6.502 892 1HD2 LEU 116 HD21 LEU 116 25.050 -8.632 -8.632 893 2HD2 LEU 116 HD23 LEU 116 24.600 -9.386 -9.386 894 3HD2 LEU 116 HD22 LEU 116 23.529 -9.505 -9.505 895 H LEU 117 HN LEU 117 27.352 -4.797 -4.797 896 HA LEU 117 HA LEU 117 28.681 -4.588 -4.588 897 1HB LEU 117 HB2 LEU 117 28.210 -2.745 -2.745 898 2HB LEU 117 HB1 LEU 117 29.919 -3.107 -3.107 899 HG LEU 117 HG LEU 117 29.580 -1.196 -1.196 900 1HD1 LEU 117 HD13 LEU 117 31.427 -2.981 -2.981 901 2HD1 LEU 117 HD12 LEU 117 30.457 -3.517 -3.517 902 3HD1 LEU 117 HD11 LEU 117 31.097 -1.875 -1.875 903 1HD2 LEU 117 HD23 LEU 117 27.479 -2.863 -2.863 904 2HD2 LEU 117 HD22 LEU 117 27.854 -1.194 -1.194 905 3HD2 LEU 117 HD21 LEU 117 28.613 -2.515 -2.515 906 H GLN 118 HN GLN 118 28.828 -6.720 -6.720 907 HA GLN 118 HA GLN 118 31.610 -6.921 -6.921 908 1HB GLN 118 HB2 GLN 118 31.030 -9.224 -9.224 909 2HB GLN 118 HB1 GLN 118 29.812 -8.084 -8.084 910 1HG GLN 118 HG2 GLN 118 28.452 -9.732 -9.732 911 2HG GLN 118 HG1 GLN 118 28.656 -8.656 -8.656 912 1HE2 GLN 118 HE21 GLN 118 30.776 -11.202 -11.202 913 2HE2 GLN 118 HE22 GLN 118 31.011 -12.038 -12.038 Start of MODEL 44 1 1H MET 1 HT2 MET 1 -9.678 -12.264 -12.264 2 2H MET 1 HT1 MET 1 -8.885 -13.592 -13.592 3 3H MET 1 HT3 MET 1 -10.577 -13.585 -13.585 4 HA MET 1 HA MET 1 -10.871 -12.285 -12.285 5 1HB MET 1 HB2 MET 1 -8.151 -13.551 -13.551 6 2HB MET 1 HB1 MET 1 -8.781 -12.534 -12.534 7 1HG MET 1 HG2 MET 1 -9.298 -15.008 -15.008 8 2HG MET 1 HG1 MET 1 -10.702 -13.942 -13.942 9 1HE MET 1 HE2 MET 1 -11.922 -15.955 -15.955 10 2HE MET 1 HE1 MET 1 -12.900 -15.016 -15.016 11 3HE MET 1 HE3 MET 1 -12.469 -16.689 -16.689 12 H CYS 2 HN CYS 2 -10.573 -10.221 -10.221 13 HA CYS 2 HA CYS 2 -9.425 -8.192 -8.192 14 1HB CYS 2 HB2 CYS 2 -9.765 -8.105 -8.105 15 2HB CYS 2 HB1 CYS 2 -9.713 -6.726 -6.726 16 HG CYS 2 HG CYS 2 -12.239 -7.422 -7.422 17 H ASP 3 HN ASP 3 -7.397 -7.150 -7.150 18 HA ASP 3 HA ASP 3 -5.094 -8.642 -8.642 19 1HB ASP 3 HB2 ASP 3 -5.208 -5.636 -5.636 20 2HB ASP 3 HB1 ASP 3 -3.843 -6.614 -6.614 21 H LYS 4 HN LYS 4 -6.938 -6.578 -6.578 22 HA LYS 4 HA LYS 4 -5.217 -6.291 -6.291 23 1HB LYS 4 HB2 LYS 4 -8.131 -7.053 -7.053 24 2HB LYS 4 HB1 LYS 4 -7.164 -6.043 -6.043 25 1HG LYS 4 HG2 LYS 4 -6.889 -4.419 -4.419 26 2HG LYS 4 HG1 LYS 4 -8.065 -5.381 -5.381 27 1HD LYS 4 HD2 LYS 4 -9.598 -5.084 -5.084 28 2HD LYS 4 HD1 LYS 4 -8.486 -3.800 -3.800 29 1HE LYS 4 HE2 LYS 4 -10.157 -2.682 -2.682 30 2HE LYS 4 HE1 LYS 4 -8.826 -2.875 -2.875 31 1HZ LYS 4 HZ2 LYS 4 -10.119 -5.144 -5.144 32 2HZ LYS 4 HZ1 LYS 4 -11.432 -4.172 -4.172 33 3HZ LYS 4 HZ3 LYS 4 -10.471 -3.720 -3.720 34 H GLU 5 HN GLU 5 -7.661 -8.898 -8.898 35 HA GLU 5 HA GLU 5 -6.751 -10.483 -10.483 36 1HB GLU 5 HB2 GLU 5 -8.774 -10.982 -10.982 37 2HB GLU 5 HB1 GLU 5 -7.781 -11.455 -11.455 38 1HG GLU 5 HG2 GLU 5 -6.909 -13.348 -13.348 39 2HG GLU 5 HG1 GLU 5 -7.491 -12.768 -12.768 40 H PHE 6 HN PHE 6 -5.605 -10.774 -10.774 41 HA PHE 6 HA PHE 6 -3.623 -12.767 -12.767 42 1HB PHE 6 HB2 PHE 6 -4.258 -12.653 -12.653 43 2HB PHE 6 HB1 PHE 6 -4.084 -10.902 -10.902 44 HD1 PHE 6 HD2 PHE 6 -1.705 -13.475 -13.475 45 HD2 PHE 6 HD1 PHE 6 -2.483 -10.513 -10.513 46 HE1 PHE 6 HE2 PHE 6 0.604 -13.737 -13.737 47 HE2 PHE 6 HE1 PHE 6 -0.173 -10.778 -10.778 48 HZ PHE 6 HZ PHE 6 1.372 -12.391 -12.391 49 H MET 7 HN MET 7 -3.253 -9.311 -9.311 50 HA MET 7 HA MET 7 -0.509 -9.065 -9.065 51 1HB MET 7 HB2 MET 7 -1.749 -7.333 -7.333 52 2HB MET 7 HB1 MET 7 -2.760 -7.057 -7.057 53 1HG MET 7 HG2 MET 7 -0.980 -6.106 -6.106 54 2HG MET 7 HG1 MET 7 0.238 -6.760 -6.760 55 1HE MET 7 HE2 MET 7 -3.036 -4.798 -4.798 56 2HE MET 7 HE1 MET 7 -2.882 -3.654 -3.654 57 3HE MET 7 HE3 MET 7 -3.033 -5.385 -5.385 58 H TRP 8 HN TRP 8 -3.335 -8.404 -8.404 59 HA TRP 8 HA TRP 8 -2.089 -7.492 -7.492 60 1HB TRP 8 HB2 TRP 8 -4.528 -7.653 -7.653 61 2HB TRP 8 HB1 TRP 8 -4.431 -9.401 -9.401 62 HD1 TRP 8 HD1 TRP 8 -3.908 -10.346 -10.346 63 HE1 TRP 8 HE1 TRP 8 -4.097 -9.291 -9.291 64 HE3 TRP 8 HE3 TRP 8 -4.276 -5.416 -5.416 65 HZ2 TRP 8 HZ2 TRP 8 -4.369 -6.699 -6.699 66 HZ3 TRP 8 HZ3 TRP 8 -4.498 -3.675 -3.675 67 HH2 TRP 8 HH2 TRP 8 -4.545 -4.311 -4.311 68 H ALA 9 HN ALA 9 -1.573 -10.565 -10.565 69 HA ALA 9 HA ALA 9 -0.973 -11.844 -11.844 70 1HB ALA 9 HB2 ALA 9 -0.635 -12.811 -12.811 71 2HB ALA 9 HB1 ALA 9 -0.257 -13.773 -13.773 72 3HB ALA 9 HB3 ALA 9 -1.917 -13.259 -13.259 73 H LEU 10 HN LEU 10 0.847 -10.816 -10.816 74 HA LEU 10 HA LEU 10 3.454 -11.434 -11.434 75 1HB LEU 10 HB2 LEU 10 2.585 -9.138 -9.138 76 2HB LEU 10 HB1 LEU 10 4.231 -9.741 -9.741 77 HG LEU 10 HG LEU 10 2.899 -12.054 -12.054 78 1HD1 LEU 10 HD12 LEU 10 0.795 -10.669 -10.669 79 2HD1 LEU 10 HD11 LEU 10 1.623 -9.875 -9.875 80 3HD1 LEU 10 HD13 LEU 10 1.294 -11.605 -11.605 81 1HD2 LEU 10 HD23 LEU 10 4.185 -9.954 -9.954 82 2HD2 LEU 10 HD22 LEU 10 4.910 -11.426 -11.426 83 3HD2 LEU 10 HD21 LEU 10 3.689 -11.528 -11.528 84 H LYS 11 HN LYS 11 1.127 -9.313 -9.313 85 HA LYS 11 HA LYS 11 2.929 -7.249 -7.249 86 1HB LYS 11 HB2 LYS 11 0.856 -6.485 -6.485 87 2HB LYS 11 HB1 LYS 11 -0.061 -7.669 -7.669 88 1HG LYS 11 HG2 LYS 11 0.324 -6.544 -6.544 89 2HG LYS 11 HG1 LYS 11 1.623 -5.568 -5.568 90 1HD LYS 11 HD2 LYS 11 0.105 -4.300 -4.300 91 2HD LYS 11 HD1 LYS 11 -1.212 -5.435 -5.435 92 1HE LYS 11 HE2 LYS 11 -1.530 -3.465 -3.465 93 2HE LYS 11 HE1 LYS 11 -1.135 -4.847 -4.847 94 1HZ LYS 11 HZ2 LYS 11 1.067 -3.206 -3.206 95 2HZ LYS 11 HZ1 LYS 11 0.108 -2.563 -2.563 96 3HZ LYS 11 HZ3 LYS 11 0.917 -4.036 -4.036 97 H ASN 12 HN ASN 12 0.250 -8.999 -8.999 98 HA ASN 12 HA ASN 12 1.501 -8.682 -8.682 99 1HB ASN 12 HB2 ASN 12 -0.528 -9.892 -9.892 100 2HB ASN 12 HB1 ASN 12 -0.897 -8.519 -8.519 101 1HD2 ASN 12 HD21 ASN 12 -2.991 -10.014 -10.014 102 2HD2 ASN 12 HD22 ASN 12 -2.990 -11.105 -11.105 103 H GLY 13 HN GLY 13 2.167 -10.814 -10.814 104 1HA GLY 13 HA2 GLY 13 3.634 -12.660 -12.660 105 2HA GLY 13 HA1 GLY 13 3.389 -12.650 -12.650 106 H ASP 14 HN ASP 14 0.518 -12.710 -12.710 107 HA ASP 14 HA ASP 14 -0.218 -15.277 -15.277 108 1HB ASP 14 HB2 ASP 14 -1.462 -14.012 -14.012 109 2HB ASP 14 HB1 ASP 14 -2.169 -15.155 -15.155 110 H LEU 15 HN LEU 15 2.164 -15.622 -15.622 111 HA LEU 15 HA LEU 15 2.782 -16.267 -16.267 112 1HB LEU 15 HB2 LEU 15 4.255 -16.402 -16.402 113 2HB LEU 15 HB1 LEU 15 3.453 -17.910 -17.910 114 HG LEU 15 HG LEU 15 5.733 -17.989 -17.989 115 1HD1 LEU 15 HD11 LEU 15 3.990 -19.856 -19.856 116 2HD1 LEU 15 HD13 LEU 15 3.580 -19.657 -19.657 117 3HD1 LEU 15 HD12 LEU 15 5.216 -20.121 -20.121 118 1HD2 LEU 15 HD23 LEU 15 4.854 -16.387 -16.387 119 2HD2 LEU 15 HD22 LEU 15 5.706 -17.824 -17.824 120 3HD2 LEU 15 HD21 LEU 15 3.945 -17.767 -17.767 121 H ASP 16 HN ASP 16 0.711 -18.072 -18.072 122 HA ASP 16 HA ASP 16 0.524 -20.492 -20.492 123 1HB ASP 16 HB2 ASP 16 -1.577 -19.160 -19.160 124 2HB ASP 16 HB1 ASP 16 -1.508 -20.866 -20.866 125 H GLU 17 HN GLU 17 -1.007 -17.356 -17.356 126 HA GLU 17 HA GLU 17 -3.079 -18.253 -18.253 127 1HB GLU 17 HB2 GLU 17 -3.378 -16.234 -16.234 128 2HB GLU 17 HB1 GLU 17 -2.020 -15.475 -15.475 129 1HG GLU 17 HG2 GLU 17 -3.189 -15.352 -15.352 130 2HG GLU 17 HG1 GLU 17 -4.386 -16.545 -16.545 131 H VAL 18 HN VAL 18 -0.078 -16.313 -16.313 132 HA VAL 18 HA VAL 18 -0.318 -16.171 -16.171 133 HB VAL 18 HB VAL 18 2.345 -15.958 -15.958 134 1HG1 VAL 18 HG11 VAL 18 0.146 -14.134 -14.134 135 2HG1 VAL 18 HG13 VAL 18 1.298 -13.619 -13.619 136 3HG1 VAL 18 HG12 VAL 18 1.822 -13.799 -13.799 137 1HG2 VAL 18 HG21 VAL 18 1.941 -16.841 -16.841 138 2HG2 VAL 18 HG23 VAL 18 3.070 -15.511 -15.511 139 3HG2 VAL 18 HG22 VAL 18 1.441 -15.181 -15.181 140 H LYS 19 HN LYS 19 0.886 -18.543 -18.543 141 HA LYS 19 HA LYS 19 2.393 -20.144 -20.144 142 1HB LYS 19 HB2 LYS 19 2.541 -20.266 -20.266 143 2HB LYS 19 HB1 LYS 19 0.940 -20.996 -20.996 144 1HG LYS 19 HG2 LYS 19 1.695 -22.947 -22.947 145 2HG LYS 19 HG1 LYS 19 3.206 -22.178 -22.178 146 1HD LYS 19 HD2 LYS 19 2.581 -22.391 -22.391 147 2HD LYS 19 HD1 LYS 19 3.155 -23.825 -23.825 148 1HE LYS 19 HE2 LYS 19 5.178 -22.723 -22.723 149 2HE LYS 19 HE1 LYS 19 4.577 -21.153 -21.153 150 1HZ LYS 19 HZ1 LYS 19 4.981 -23.467 -23.467 151 2HZ LYS 19 HZ3 LYS 19 6.145 -22.259 -22.259 152 3HZ LYS 19 HZ2 LYS 19 4.643 -21.860 -21.860 153 H ASP 20 HN ASP 20 -0.985 -19.875 -19.875 154 HA ASP 20 HA ASP 20 -1.843 -22.386 -22.386 155 1HB ASP 20 HB2 ASP 20 -3.351 -19.779 -19.779 156 2HB ASP 20 HB1 ASP 20 -4.071 -21.370 -21.370 157 H TYR 21 HN TYR 21 -2.152 -19.109 -19.109 158 HA TYR 21 HA TYR 21 -3.110 -20.139 -20.139 159 1HB TYR 21 HB2 TYR 21 -2.936 -17.989 -17.989 160 2HB TYR 21 HB1 TYR 21 -3.096 -17.710 -17.710 161 HD1 TYR 21 HD1 TYR 21 -1.016 -17.375 -17.375 162 HD2 TYR 21 HD2 TYR 21 -1.030 -17.234 -17.234 163 HE1 TYR 21 HE1 TYR 21 1.113 -16.110 -16.110 164 HE2 TYR 21 HE2 TYR 21 1.110 -15.979 -15.979 165 HH TYR 21 HH TYR 21 2.497 -14.792 -14.792 166 H VAL 22 HN VAL 22 0.281 -19.307 -19.307 167 HA VAL 22 HA VAL 22 1.267 -20.152 -20.152 168 HB VAL 22 HB VAL 22 2.557 -18.683 -18.683 169 1HG1 VAL 22 HG13 VAL 22 2.041 -19.999 -19.999 170 2HG1 VAL 22 HG12 VAL 22 3.073 -21.296 -21.296 171 3HG1 VAL 22 HG11 VAL 22 3.768 -19.722 -19.722 172 1HG2 VAL 22 HG23 VAL 22 3.909 -21.256 -21.256 173 2HG2 VAL 22 HG22 VAL 22 3.655 -19.830 -19.830 174 3HG2 VAL 22 HG21 VAL 22 4.737 -19.748 -19.748 175 H ALA 23 HN ALA 23 0.072 -21.847 -21.847 176 HA ALA 23 HA ALA 23 1.559 -24.254 -24.254 177 1HB ALA 23 HB1 ALA 23 -0.476 -23.533 -23.533 178 2HB ALA 23 HB3 ALA 23 -1.449 -24.284 -24.284 179 3HB ALA 23 HB2 ALA 23 -0.259 -25.242 -25.242 180 H LYS 24 HN LYS 24 -0.798 -22.907 -22.907 181 HA LYS 24 HA LYS 24 -1.510 -25.210 -25.210 182 1HB LYS 24 HB2 LYS 24 -1.353 -22.278 -22.278 183 2HB LYS 24 HB1 LYS 24 -1.679 -23.412 -23.412 184 1HG LYS 24 HG2 LYS 24 -3.750 -22.494 -22.494 185 2HG LYS 24 HG1 LYS 24 -3.646 -24.254 -24.254 186 1HD LYS 24 HD2 LYS 24 -2.968 -24.310 -24.310 187 2HD LYS 24 HD1 LYS 24 -2.674 -22.572 -22.572 188 1HE LYS 24 HE2 LYS 24 -4.779 -22.910 -22.910 189 2HE LYS 24 HE1 LYS 24 -5.151 -22.266 -22.266 190 1HZ LYS 24 HZ1 LYS 24 -4.943 -25.137 -25.137 191 2HZ LYS 24 HZ3 LYS 24 -6.195 -24.524 -24.524 192 3HZ LYS 24 HZ2 LYS 24 -6.143 -24.153 -24.153 193 H GLY 25 HN GLY 25 0.698 -22.764 -22.764 194 1HA GLY 25 HA2 GLY 25 2.826 -24.700 -24.700 195 2HA GLY 25 HA1 GLY 25 1.951 -24.431 -24.431 196 H GLU 26 HN GLU 26 4.331 -23.238 -23.238 197 HA GLU 26 HA GLU 26 5.517 -21.184 -21.184 198 1HB GLU 26 HB2 GLU 26 6.608 -20.860 -20.860 199 2HB GLU 26 HB1 GLU 26 6.922 -22.349 -22.349 200 1HG GLU 26 HG2 GLU 26 5.224 -23.532 -23.532 201 2HG GLU 26 HG1 GLU 26 4.772 -22.040 -22.040 202 H ASP 27 HN ASP 27 4.588 -19.254 -19.254 203 HA ASP 27 HA ASP 27 3.665 -17.713 -17.713 204 1HB ASP 27 HB2 ASP 27 1.927 -18.286 -18.286 205 2HB ASP 27 HB1 ASP 27 1.604 -16.978 -16.978 206 H VAL 28 HN VAL 28 6.001 -17.499 -17.499 207 HA VAL 28 HA VAL 28 5.460 -15.144 -15.144 208 HB VAL 28 HB VAL 28 7.761 -15.626 -15.626 209 1HG1 VAL 28 HG13 VAL 28 5.722 -16.523 -16.523 210 2HG1 VAL 28 HG12 VAL 28 5.790 -17.932 -17.932 211 3HG1 VAL 28 HG11 VAL 28 7.061 -17.664 -17.664 212 1HG2 VAL 28 HG22 VAL 28 8.274 -16.905 -16.905 213 2HG2 VAL 28 HG21 VAL 28 9.017 -17.438 -17.438 214 3HG2 VAL 28 HG23 VAL 28 7.604 -18.284 -18.284 215 H ASN 29 HN ASN 29 5.234 -14.159 -14.159 216 HA ASN 29 HA ASN 29 7.395 -12.361 -12.361 217 1HB ASN 29 HB2 ASN 29 7.971 -13.271 -13.271 218 2HB ASN 29 HB1 ASN 29 8.717 -14.056 -14.056 219 1HD2 ASN 29 HD21 ASN 29 7.677 -16.119 -16.119 220 2HD2 ASN 29 HD22 ASN 29 6.799 -17.054 -17.054 221 H ARG 30 HN ARG 30 4.476 -12.558 -12.558 222 HA ARG 30 HA ARG 30 3.677 -11.535 -11.535 223 1HB ARG 30 HB2 ARG 30 1.881 -12.357 -12.357 224 2HB ARG 30 HB1 ARG 30 1.419 -12.098 -12.098 225 1HG ARG 30 HG2 ARG 30 3.037 -13.967 -13.967 226 2HG ARG 30 HG1 ARG 30 3.148 -14.316 -14.316 227 1HD ARG 30 HD2 ARG 30 1.453 -15.743 -15.743 228 2HD ARG 30 HD1 ARG 30 0.711 -14.666 -14.666 229 HE ARG 30 HE ARG 30 0.514 -13.244 -13.244 230 1HH1 ARG 30 HH21 ARG 30 -0.272 -16.435 -16.435 231 2HH1 ARG 30 HH22 ARG 30 -1.632 -16.590 -16.590 232 1HH2 ARG 30 HH11 ARG 30 -1.258 -13.426 -13.426 233 2HH2 ARG 30 HH12 ARG 30 -2.192 -14.886 -14.886 234 H THR 31 HN THR 31 2.830 -9.435 -9.435 235 HA THR 31 HA THR 31 3.650 -7.508 -7.508 236 HB THR 31 HB THR 31 1.153 -7.069 -7.069 237 HG1 THR 31 HG1 THR 31 2.992 -6.415 -6.415 238 1HG2 THR 31 HG21 THR 31 3.555 -5.378 -5.378 239 2HG2 THR 31 HG23 THR 31 2.218 -4.828 -4.828 240 3HG2 THR 31 HG22 THR 31 1.934 -5.250 -5.250 241 H LEU 32 HN LEU 32 2.887 -6.915 -6.915 242 HA LEU 32 HA LEU 32 0.787 -8.434 -8.434 243 1HB LEU 32 HB2 LEU 32 2.912 -7.449 -7.449 244 2HB LEU 32 HB1 LEU 32 2.055 -5.914 -5.914 245 HG LEU 32 HG LEU 32 0.761 -8.378 -8.378 246 1HD1 LEU 32 HD12 LEU 32 3.262 -7.301 -7.301 247 2HD1 LEU 32 HD11 LEU 32 2.025 -6.835 -6.835 248 3HD1 LEU 32 HD13 LEU 32 2.267 -8.535 -8.535 249 1HD2 LEU 32 HD23 LEU 32 0.587 -5.383 -5.383 250 2HD2 LEU 32 HD22 LEU 32 -0.699 -6.514 -6.514 251 3HD2 LEU 32 HD21 LEU 32 -0.055 -6.481 -6.481 252 H GLU 33 HN GLU 33 0.747 -4.980 -4.980 253 HA GLU 33 HA GLU 33 -2.136 -4.974 -4.974 254 1HB GLU 33 HB2 GLU 33 -2.076 -2.696 -2.696 255 2HB GLU 33 HB1 GLU 33 -1.118 -3.759 -3.759 256 1HG GLU 33 HG2 GLU 33 0.323 -1.942 -1.942 257 2HG GLU 33 HG1 GLU 33 0.873 -3.017 -3.017 258 H GLY 34 HN GLY 34 0.667 -3.422 -3.422 259 1HA GLY 34 HA2 GLY 34 -0.835 -3.297 -3.297 260 2HA GLY 34 HA1 GLY 34 -0.658 -1.706 -1.706 261 H GLY 35 HN GLY 35 1.965 -2.405 -2.405 262 1HA GLY 35 HA2 GLY 35 3.706 -2.990 -2.990 263 2HA GLY 35 HA1 GLY 35 3.769 -1.314 -1.314 264 H ARG 36 HN ARG 36 3.176 -4.022 -4.022 265 HA ARG 36 HA ARG 36 5.934 -3.730 -3.730 266 1HB ARG 36 HB2 ARG 36 3.498 -4.055 -4.055 267 2HB ARG 36 HB1 ARG 36 5.108 -3.476 -3.476 268 1HG ARG 36 HG2 ARG 36 4.710 -1.518 -1.518 269 2HG ARG 36 HG1 ARG 36 3.031 -2.042 -2.042 270 1HD ARG 36 HD2 ARG 36 2.564 -1.428 -1.428 271 2HD ARG 36 HD1 ARG 36 4.231 -1.660 -1.660 272 HE ARG 36 HE ARG 36 4.408 0.472 0.472 273 1HH1 ARG 36 HH21 ARG 36 2.487 -0.323 -0.323 274 2HH1 ARG 36 HH22 ARG 36 2.313 1.322 1.322 275 1HH2 ARG 36 HH11 ARG 36 4.188 2.622 2.622 276 2HH2 ARG 36 HH12 ARG 36 3.276 2.987 2.987 277 H LYS 37 HN LYS 37 6.733 -5.670 -5.670 278 HA LYS 37 HA LYS 37 5.336 -8.137 -8.137 279 1HB LYS 37 HB2 LYS 37 7.806 -8.957 -8.957 280 2HB LYS 37 HB1 LYS 37 7.462 -8.499 -8.499 281 1HG LYS 37 HG2 LYS 37 9.411 -7.264 -7.264 282 2HG LYS 37 HG1 LYS 37 8.070 -6.132 -6.132 283 1HD LYS 37 HD2 LYS 37 7.629 -6.452 -6.452 284 2HD LYS 37 HD1 LYS 37 9.143 -7.353 -7.353 285 1HE LYS 37 HE2 LYS 37 8.689 -4.438 -4.438 286 2HE LYS 37 HE1 LYS 37 10.025 -5.291 -5.291 287 1HZ LYS 37 HZ1 LYS 37 10.725 -5.922 -5.922 288 2HZ LYS 37 HZ3 LYS 37 9.598 -4.791 -4.791 289 3HZ LYS 37 HZ2 LYS 37 10.894 -4.280 -4.280 290 HA PRO 38 HA PRO 38 4.405 -9.400 -9.400 291 1HB PRO 38 HB2 PRO 38 5.006 -12.145 -12.145 292 2HB PRO 38 HB1 PRO 38 3.488 -11.383 -11.383 293 1HG PRO 38 HG2 PRO 38 5.589 -12.522 -12.522 294 2HG PRO 38 HG1 PRO 38 3.967 -11.990 -11.990 295 1HD PRO 38 HD2 PRO 38 6.468 -10.637 -10.637 296 2HD PRO 38 HD1 PRO 38 4.836 -10.100 -10.100 297 H LEU 39 HN LEU 39 7.290 -8.541 -8.541 298 HA LEU 39 HA LEU 39 8.420 -10.213 -10.213 299 1HB LEU 39 HB2 LEU 39 9.504 -10.475 -10.475 300 2HB LEU 39 HB1 LEU 39 10.101 -8.834 -8.834 301 HG LEU 39 HG LEU 39 11.692 -9.478 -9.478 302 1HD1 LEU 39 HD13 LEU 39 9.871 -11.729 -11.729 303 2HD1 LEU 39 HD12 LEU 39 11.480 -11.420 -11.420 304 3HD1 LEU 39 HD11 LEU 39 10.202 -10.230 -10.230 305 1HD2 LEU 39 HD21 LEU 39 11.845 -10.937 -10.937 306 2HD2 LEU 39 HD23 LEU 39 12.735 -11.508 -11.508 307 3HD2 LEU 39 HD22 LEU 39 11.188 -12.239 -12.239 308 H HIS 40 HN HIS 40 7.695 -7.097 -7.097 309 HA HIS 40 HA HIS 40 9.487 -5.537 -5.537 310 1HB HIS 40 HB2 HIS 40 8.143 -4.860 -4.860 311 2HB HIS 40 HB1 HIS 40 6.806 -4.589 -4.589 312 HD1 HIS 40 HD1 HIS 40 8.335 -2.327 -2.327 313 HD2 HIS 40 HD2 HIS 40 8.964 -3.274 -3.274 314 HE1 HIS 40 HE1 HIS 40 9.311 -0.256 -0.256 315 H TYR 41 HN TYR 41 6.078 -6.511 -6.511 316 HA TYR 41 HA TYR 41 5.650 -5.263 -5.263 317 1HB TYR 41 HB2 TYR 41 4.127 -7.578 -7.578 318 2HB TYR 41 HB1 TYR 41 3.533 -6.405 -6.405 319 HD1 TYR 41 HD1 TYR 41 4.820 -6.746 -6.746 320 HD2 TYR 41 HD2 TYR 41 2.645 -4.328 -4.328 321 HE1 TYR 41 HE1 TYR 41 4.180 -5.201 -5.201 322 HE2 TYR 41 HE2 TYR 41 2.000 -2.791 -2.791 323 HH TYR 41 HH TYR 41 1.744 -2.880 -2.880 324 H ALA 42 HN ALA 42 6.521 -8.510 -8.510 325 HA ALA 42 HA ALA 42 6.463 -9.763 -9.763 326 1HB ALA 42 HB1 ALA 42 6.556 -10.997 -10.997 327 2HB ALA 42 HB3 ALA 42 8.218 -10.436 -10.436 328 3HB ALA 42 HB2 ALA 42 7.800 -11.517 -11.517 329 H ALA 43 HN ALA 43 9.170 -8.602 -8.602 330 HA ALA 43 HA ALA 43 11.213 -8.783 -8.783 331 1HB ALA 43 HB2 ALA 43 10.758 -6.668 -6.668 332 2HB ALA 43 HB1 ALA 43 12.287 -6.935 -6.935 333 3HB ALA 43 HB3 ALA 43 11.629 -8.187 -8.187 334 H ASP 44 HN ASP 44 9.315 -5.862 -5.862 335 HA ASP 44 HA ASP 44 10.211 -4.238 -4.238 336 1HB ASP 44 HB2 ASP 44 8.951 -3.362 -3.362 337 2HB ASP 44 HB1 ASP 44 7.519 -4.258 -4.258 338 H CYS 45 HN CYS 45 7.588 -6.647 -6.647 339 HA CYS 45 HA CYS 45 7.639 -6.584 -6.584 340 1HB CYS 45 HB2 CYS 45 5.273 -5.558 -5.558 341 2HB CYS 45 HB1 CYS 45 5.112 -6.146 -6.146 342 HG CYS 45 HG CYS 45 7.117 -4.247 -4.247 343 H GLY 46 HN GLY 46 8.315 -8.754 -8.754 344 1HA GLY 46 HA2 GLY 46 5.838 -10.427 -10.427 345 2HA GLY 46 HA1 GLY 46 7.366 -10.779 -10.779 346 H GLN 47 HN GLN 47 7.274 -9.725 -9.725 347 HA GLN 47 HA GLN 47 8.095 -10.841 -10.841 348 1HB GLN 47 HB2 GLN 47 6.333 -12.850 -12.850 349 2HB GLN 47 HB1 GLN 47 7.280 -13.365 -13.365 350 1HG GLN 47 HG2 GLN 47 4.929 -12.502 -12.502 351 2HG GLN 47 HG1 GLN 47 6.230 -11.766 -11.766 352 1HE2 GLN 47 HE21 GLN 47 4.482 -11.211 -11.211 353 2HE2 GLN 47 HE22 GLN 47 4.457 -9.521 -9.521 354 H LEU 48 HN LEU 48 9.346 -11.001 -11.001 355 HA LEU 48 HA LEU 48 11.358 -11.699 -11.699 356 1HB LEU 48 HB2 LEU 48 11.752 -12.450 -12.450 357 2HB LEU 48 HB1 LEU 48 12.979 -12.771 -12.771 358 HG LEU 48 HG LEU 48 13.691 -10.642 -10.642 359 1HD1 LEU 48 HD11 LEU 48 10.822 -9.875 -9.875 360 2HD1 LEU 48 HD13 LEU 48 12.110 -8.687 -8.687 361 3HD1 LEU 48 HD12 LEU 48 12.178 -9.866 -9.866 362 1HD2 LEU 48 HD21 LEU 48 11.485 -10.337 -10.337 363 2HD2 LEU 48 HD23 LEU 48 13.170 -10.751 -10.751 364 3HD2 LEU 48 HD22 LEU 48 12.750 -9.139 -9.139 365 H GLU 49 HN GLU 49 9.028 -13.795 -13.795 366 HA GLU 49 HA GLU 49 10.526 -16.223 -16.223 367 1HB GLU 49 HB2 GLU 49 7.635 -15.992 -15.992 368 2HB GLU 49 HB1 GLU 49 8.595 -17.453 -17.453 369 1HG GLU 49 HG2 GLU 49 10.106 -16.466 -16.466 370 2HG GLU 49 HG1 GLU 49 8.904 -15.192 -15.192 371 H ILE 50 HN ILE 50 7.891 -14.126 -14.126 372 HA ILE 50 HA ILE 50 7.016 -15.655 -15.655 373 HB ILE 50 HB ILE 50 6.868 -12.661 -12.661 374 1HG1 ILE 50 HG12 ILE 50 5.650 -14.853 -14.853 375 2HG1 ILE 50 HG11 ILE 50 5.704 -13.138 -13.138 376 1HG2 ILE 50 HG23 ILE 50 5.278 -14.690 -14.690 377 2HG2 ILE 50 HG22 ILE 50 4.777 -13.015 -13.015 378 3HG2 ILE 50 HG21 ILE 50 6.277 -13.376 -13.376 379 1HD1 ILE 50 HD11 ILE 50 3.814 -14.180 -14.180 380 2HD1 ILE 50 HD13 ILE 50 3.398 -14.279 -14.279 381 3HD1 ILE 50 HD12 ILE 50 3.706 -12.707 -12.707 382 H LEU 51 HN LEU 51 9.486 -13.099 -13.099 383 HA LEU 51 HA LEU 51 9.801 -12.898 -12.898 384 1HB LEU 51 HB2 LEU 51 12.355 -12.411 -12.411 385 2HB LEU 51 HB1 LEU 51 11.093 -11.194 -11.194 386 HG LEU 51 HG LEU 51 12.294 -11.102 -11.102 387 1HD1 LEU 51 HD11 LEU 51 9.502 -11.269 -11.269 388 2HD1 LEU 51 HD13 LEU 51 9.903 -12.190 -12.190 389 3HD1 LEU 51 HD12 LEU 51 10.422 -10.514 -10.514 390 1HD2 LEU 51 HD23 LEU 51 12.758 -13.673 -13.673 391 2HD2 LEU 51 HD22 LEU 51 12.613 -12.879 -12.879 392 3HD2 LEU 51 HD21 LEU 51 11.253 -13.792 -13.792 393 H GLU 52 HN GLU 52 11.556 -14.903 -14.903 394 HA GLU 52 HA GLU 52 13.213 -16.289 -16.289 395 1HB GLU 52 HB2 GLU 52 12.501 -16.473 -16.473 396 2HB GLU 52 HB1 GLU 52 12.344 -18.087 -18.087 397 1HG GLU 52 HG2 GLU 52 14.791 -16.379 -16.379 398 2HG GLU 52 HG1 GLU 52 14.648 -17.450 -17.450 399 H PHE 53 HN PHE 53 9.917 -17.004 -17.004 400 HA PHE 53 HA PHE 53 9.592 -19.559 -19.559 401 1HB PHE 53 HB2 PHE 53 7.909 -18.735 -18.735 402 2HB PHE 53 HB1 PHE 53 7.625 -17.321 -17.321 403 HD1 PHE 53 HD1 PHE 53 7.767 -21.050 -21.050 404 HD2 PHE 53 HD2 PHE 53 5.686 -17.389 -17.389 405 HE1 PHE 53 HE1 PHE 53 6.072 -22.313 -22.313 406 HE2 PHE 53 HE2 PHE 53 3.990 -18.646 -18.646 407 HZ PHE 53 HZ PHE 53 4.185 -21.120 -21.120 408 H LEU 54 HN LEU 54 7.832 -16.887 -16.887 409 HA LEU 54 HA LEU 54 7.521 -18.282 -18.282 410 1HB LEU 54 HB2 LEU 54 7.437 -15.733 -15.733 411 2HB LEU 54 HB1 LEU 54 6.118 -16.497 -16.497 412 HG LEU 54 HG LEU 54 6.846 -15.512 -15.512 413 1HD1 LEU 54 HD11 LEU 54 9.221 -14.742 -14.742 414 2HD1 LEU 54 HD13 LEU 54 8.757 -13.725 -13.725 415 3HD1 LEU 54 HD12 LEU 54 9.176 -15.417 -15.417 416 1HD2 LEU 54 HD23 LEU 54 5.455 -14.190 -14.190 417 2HD2 LEU 54 HD22 LEU 54 6.323 -13.220 -13.220 418 3HD2 LEU 54 HD21 LEU 54 6.944 -13.363 -13.363 419 H LEU 55 HN LEU 55 10.362 -16.847 -16.847 420 HA LEU 55 HA LEU 55 11.612 -16.342 -16.342 421 1HB LEU 55 HB2 LEU 55 12.274 -15.305 -15.305 422 2HB LEU 55 HB1 LEU 55 13.041 -16.847 -16.847 423 HG LEU 55 HG LEU 55 13.672 -15.270 -15.270 424 1HD1 LEU 55 HD11 LEU 55 15.060 -15.244 -15.244 425 2HD1 LEU 55 HD13 LEU 55 15.699 -14.507 -14.507 426 3HD1 LEU 55 HD12 LEU 55 14.215 -13.886 -13.886 427 1HD2 LEU 55 HD22 LEU 55 14.672 -17.755 -17.755 428 2HD2 LEU 55 HD21 LEU 55 14.598 -17.344 -17.344 429 3HD2 LEU 55 HD23 LEU 55 15.892 -16.695 -16.695 430 H LEU 56 HN LEU 56 11.738 -19.013 -19.013 431 HA LEU 56 HA LEU 56 13.642 -20.509 -20.509 432 1HB LEU 56 HB2 LEU 56 12.489 -22.562 -22.562 433 2HB LEU 56 HB1 LEU 56 13.586 -21.469 -21.469 434 HG LEU 56 HG LEU 56 11.404 -20.134 -20.134 435 1HD1 LEU 56 HD13 LEU 56 10.353 -22.905 -22.905 436 2HD1 LEU 56 HD12 LEU 56 9.458 -21.681 -21.681 437 3HD1 LEU 56 HD11 LEU 56 9.879 -21.404 -21.404 438 1HD2 LEU 56 HD22 LEU 56 12.872 -21.340 -21.340 439 2HD2 LEU 56 HD21 LEU 56 11.170 -21.500 -21.500 440 3HD2 LEU 56 HD23 LEU 56 12.009 -22.833 -22.833 441 H LYS 57 HN LYS 57 10.191 -20.158 -20.158 442 HA LYS 57 HA LYS 57 9.826 -22.411 -22.411 443 1HB LYS 57 HB2 LYS 57 8.264 -20.066 -20.066 444 2HB LYS 57 HB1 LYS 57 8.054 -20.413 -20.413 445 1HG LYS 57 HG2 LYS 57 6.375 -21.659 -21.659 446 2HG LYS 57 HG1 LYS 57 7.586 -22.814 -22.814 447 1HD LYS 57 HD2 LYS 57 8.657 -22.755 -22.755 448 2HD LYS 57 HD1 LYS 57 7.438 -21.608 -21.608 449 1HE LYS 57 HE2 LYS 57 5.687 -23.223 -23.223 450 2HE LYS 57 HE1 LYS 57 6.727 -24.329 -24.329 451 1HZ LYS 57 HZ3 LYS 57 8.159 -24.086 -24.086 452 2HZ LYS 57 HZ2 LYS 57 6.632 -23.774 -23.774 453 3HZ LYS 57 HZ1 LYS 57 6.921 -25.237 -25.237 454 H GLY 58 HN GLY 58 9.357 -19.155 -19.155 455 1HA GLY 58 HA2 GLY 58 11.176 -19.740 -19.740 456 2HA GLY 58 HA1 GLY 58 10.008 -18.415 -18.415 457 H ALA 59 HN ALA 59 10.908 -16.435 -16.435 458 HA ALA 59 HA ALA 59 12.521 -15.752 -15.752 459 1HB ALA 59 HB1 ALA 59 14.103 -16.980 -16.980 460 2HB ALA 59 HB3 ALA 59 14.770 -15.509 -15.509 461 3HB ALA 59 HB2 ALA 59 14.437 -16.911 -16.911 462 H ASP 60 HN ASP 60 11.001 -14.011 -14.011 463 HA ASP 60 HA ASP 60 11.400 -12.281 -12.281 464 1HB ASP 60 HB2 ASP 60 9.209 -12.460 -12.460 465 2HB ASP 60 HB1 ASP 60 9.943 -11.782 -11.782 466 H ILE 61 HN ILE 61 13.282 -13.038 -13.038 467 HA ILE 61 HA ILE 61 14.149 -10.794 -10.794 468 HB ILE 61 HB ILE 61 14.902 -13.182 -13.182 469 1HG1 ILE 61 HG12 ILE 61 17.021 -11.031 -11.031 470 2HG1 ILE 61 HG11 ILE 61 16.145 -11.490 -11.490 471 1HG2 ILE 61 HG21 ILE 61 15.308 -13.351 -13.351 472 2HG2 ILE 61 HG23 ILE 61 16.830 -12.514 -12.514 473 3HG2 ILE 61 HG22 ILE 61 16.527 -14.086 -14.086 474 1HD1 ILE 61 HD11 ILE 61 17.185 -13.907 -13.907 475 2HD1 ILE 61 HD13 ILE 61 18.453 -12.796 -12.796 476 3HD1 ILE 61 HD12 ILE 61 17.947 -12.826 -12.826 477 H ASN 62 HN ASN 62 14.531 -11.499 -11.499 478 HA ASN 62 HA ASN 62 16.198 -9.044 -9.044 479 1HB ASN 62 HB2 ASN 62 17.409 -10.188 -10.188 480 2HB ASN 62 HB1 ASN 62 17.652 -11.001 -11.001 481 1HD2 ASN 62 HD21 ASN 62 15.188 -12.400 -12.400 482 2HD2 ASN 62 HD22 ASN 62 15.102 -13.555 -13.555 483 H ALA 63 HN ALA 63 13.729 -11.128 -11.128 484 HA ALA 63 HA ALA 63 12.997 -10.584 -10.584 485 1HB ALA 63 HB2 ALA 63 11.300 -10.282 -10.282 486 2HB ALA 63 HB1 ALA 63 10.609 -10.083 -10.083 487 3HB ALA 63 HB3 ALA 63 11.367 -11.609 -11.609 488 HA PRO 64 HA PRO 64 11.182 -5.966 -5.966 489 1HB PRO 64 HB2 PRO 64 14.041 -5.527 -5.527 490 2HB PRO 64 HB1 PRO 64 12.572 -4.737 -4.737 491 1HG PRO 64 HG2 PRO 64 13.853 -6.950 -6.950 492 2HG PRO 64 HG1 PRO 64 12.210 -6.397 -6.397 493 1HD PRO 64 HD2 PRO 64 12.911 -8.875 -8.875 494 2HD PRO 64 HD1 PRO 64 11.279 -8.162 -8.162 495 H ASP 65 HN ASP 65 11.074 -4.642 -4.642 496 HA ASP 65 HA ASP 65 13.278 -4.379 -4.379 497 1HB ASP 65 HB2 ASP 65 10.418 -5.220 -5.220 498 2HB ASP 65 HB1 ASP 65 11.375 -4.445 -4.445 499 H LYS 66 HN LYS 66 10.021 -3.307 -3.307 500 HA LYS 66 HA LYS 66 10.462 -0.601 -0.601 501 1HB LYS 66 HB2 LYS 66 8.266 -2.020 -2.020 502 2HB LYS 66 HB1 LYS 66 8.131 -1.493 -1.493 503 1HG LYS 66 HG2 LYS 66 8.547 0.434 0.434 504 2HG LYS 66 HG1 LYS 66 6.961 -0.050 -0.050 505 1HD LYS 66 HD2 LYS 66 8.159 0.631 0.631 506 2HD LYS 66 HD1 LYS 66 8.943 1.754 1.754 507 1HE LYS 66 HE2 LYS 66 5.990 1.442 1.442 508 2HE LYS 66 HE1 LYS 66 6.990 2.878 2.878 509 1HZ LYS 66 HZ3 LYS 66 6.851 1.711 1.711 510 2HZ LYS 66 HZ2 LYS 66 5.479 2.540 2.540 511 3HZ LYS 66 HZ1 LYS 66 6.976 3.337 3.337 512 H HIS 67 HN HIS 67 10.637 -2.357 -2.357 513 HA HIS 67 HA HIS 67 10.532 -0.039 -0.039 514 1HB HIS 67 HB2 HIS 67 11.697 -2.691 -2.691 515 2HB HIS 67 HB1 HIS 67 10.677 -1.603 -1.603 516 HD1 HIS 67 HD1 HIS 67 10.375 -3.797 -3.797 517 HD2 HIS 67 HD2 HIS 67 8.024 -2.374 -2.374 518 HE1 HIS 67 HE1 HIS 67 8.102 -4.885 -4.885 519 H HIS 68 HN HIS 68 12.865 -1.230 -1.230 520 HA HIS 68 HA HIS 68 15.226 -1.086 -1.086 521 1HB HIS 68 HB2 HIS 68 14.461 1.241 1.241 522 2HB HIS 68 HB1 HIS 68 14.549 1.571 1.571 523 HD1 HIS 68 HD1 HIS 68 17.063 -0.436 -0.436 524 HD2 HIS 68 HD2 HIS 68 16.843 3.174 3.174 525 HE1 HIS 68 HE1 HIS 68 19.416 0.498 0.498 526 H ILE 69 HN ILE 69 13.957 -2.100 -2.100 527 HA ILE 69 HA ILE 69 16.495 -2.037 -2.037 528 HB ILE 69 HB ILE 69 14.517 -0.168 -0.168 529 1HG1 ILE 69 HG12 ILE 69 16.948 -0.022 -0.022 530 2HG1 ILE 69 HG11 ILE 69 16.013 0.295 0.295 531 1HG2 ILE 69 HG22 ILE 69 13.230 -2.028 -2.028 532 2HG2 ILE 69 HG21 ILE 69 14.624 -2.391 -2.391 533 3HG2 ILE 69 HG23 ILE 69 13.787 -0.852 -0.852 534 1HD1 ILE 69 HD11 ILE 69 16.330 -2.331 -2.331 535 2HD1 ILE 69 HD13 ILE 69 17.743 -2.059 -2.059 536 3HD1 ILE 69 HD12 ILE 69 17.573 -1.185 -1.185 537 H THR 70 HN THR 70 16.612 -3.577 -3.577 538 HA THR 70 HA THR 70 14.650 -5.774 -5.774 539 HB THR 70 HB THR 70 16.683 -6.705 -6.705 540 HG1 THR 70 HG1 THR 70 16.406 -8.045 -8.045 541 1HG2 THR 70 HG23 THR 70 17.884 -4.690 -4.690 542 2HG2 THR 70 HG22 THR 70 18.843 -5.967 -5.967 543 3HG2 THR 70 HG21 THR 70 18.036 -4.763 -4.763 544 HA PRO 71 HA PRO 71 13.299 -5.050 -5.050 545 1HB PRO 71 HB2 PRO 71 13.268 -7.905 -7.905 546 2HB PRO 71 HB1 PRO 71 11.903 -6.807 -6.807 547 1HG PRO 71 HG2 PRO 71 12.570 -8.793 -8.793 548 2HG PRO 71 HG1 PRO 71 11.811 -7.275 -7.275 549 1HD PRO 71 HD2 PRO 71 14.691 -8.100 -8.100 550 2HD PRO 71 HD1 PRO 71 13.702 -7.140 -7.140 551 H LEU 72 HN LEU 72 16.401 -6.752 -6.752 552 HA LEU 72 HA LEU 72 16.705 -7.121 -7.121 553 1HB LEU 72 HB2 LEU 72 19.167 -6.127 -6.127 554 2HB LEU 72 HB1 LEU 72 18.914 -7.571 -7.571 555 HG LEU 72 HG LEU 72 19.381 -8.492 -8.492 556 1HD1 LEU 72 HD12 LEU 72 16.701 -8.666 -8.666 557 2HD1 LEU 72 HD11 LEU 72 16.631 -8.331 -8.331 558 3HD1 LEU 72 HD13 LEU 72 17.543 -9.718 -9.718 559 1HD2 LEU 72 HD21 LEU 72 17.839 -6.221 -6.221 560 2HD2 LEU 72 HD23 LEU 72 19.594 -6.377 -6.377 561 3HD2 LEU 72 HD22 LEU 72 18.650 -7.520 -7.520 562 H LEU 73 HN LEU 73 17.153 -4.251 -4.251 563 HA LEU 73 HA LEU 73 18.079 -2.637 -2.637 564 1HB LEU 73 HB2 LEU 73 16.868 -1.717 -1.717 565 2HB LEU 73 HB1 LEU 73 17.809 -0.734 -0.734 566 HG LEU 73 HG LEU 73 19.590 -2.690 -2.690 567 1HD1 LEU 73 HD11 LEU 73 17.593 -3.318 -3.318 568 2HD1 LEU 73 HD13 LEU 73 19.097 -2.874 -2.874 569 3HD1 LEU 73 HD12 LEU 73 19.090 -4.176 -4.176 570 1HD2 LEU 73 HD22 LEU 73 19.034 -0.354 -0.354 571 2HD2 LEU 73 HD21 LEU 73 20.235 -0.499 -0.499 572 3HD2 LEU 73 HD23 LEU 73 20.452 -1.378 -1.378 573 H SER 74 HN SER 74 14.987 -3.667 -3.667 574 HA SER 74 HA SER 74 13.367 -1.606 -1.606 575 1HB SER 74 HB2 SER 74 12.445 -3.387 -3.387 576 2HB SER 74 HB1 SER 74 12.805 -4.577 -4.577 577 HG SER 74 HG SER 74 10.912 -4.084 -4.084 578 H ALA 75 HN ALA 75 14.594 -4.583 -4.583 579 HA ALA 75 HA ALA 75 13.448 -3.897 -3.897 580 1HB ALA 75 HB3 ALA 75 15.520 -5.919 -5.919 581 2HB ALA 75 HB2 ALA 75 15.051 -5.712 -5.712 582 3HB ALA 75 HB1 ALA 75 13.852 -6.208 -6.208 583 H VAL 76 HN VAL 76 16.560 -3.322 -3.322 584 HA VAL 76 HA VAL 76 18.241 -2.665 -2.665 585 HB VAL 76 HB VAL 76 17.802 -1.331 -1.331 586 1HG1 VAL 76 HG13 VAL 76 18.865 0.192 0.192 587 2HG1 VAL 76 HG12 VAL 76 20.277 -0.831 -0.831 588 3HG1 VAL 76 HG11 VAL 76 19.609 0.107 0.107 589 1HG2 VAL 76 HG22 VAL 76 18.687 -3.646 -3.646 590 2HG2 VAL 76 HG21 VAL 76 19.894 -2.523 -2.523 591 3HG2 VAL 76 HG23 VAL 76 20.002 -3.102 -3.102 592 H TYR 77 HN TYR 77 16.217 -0.114 -0.114 593 HA TYR 77 HA TYR 77 16.475 1.574 1.574 594 1HB TYR 77 HB2 TYR 77 14.304 2.143 2.143 595 2HB TYR 77 HB1 TYR 77 15.547 3.216 3.216 596 HD1 TYR 77 HD1 TYR 77 14.731 0.717 0.717 597 HD2 TYR 77 HD2 TYR 77 17.753 3.365 3.365 598 HE1 TYR 77 HE1 TYR 77 16.019 0.466 0.466 599 HE2 TYR 77 HE2 TYR 77 19.034 3.107 3.107 600 HH TYR 77 HH TYR 77 17.728 1.328 1.328 601 H GLU 78 HN GLU 78 15.372 -0.909 -0.909 602 HA GLU 78 HA GLU 78 12.608 -0.032 -0.032 603 1HB GLU 78 HB2 GLU 78 12.840 -1.948 -1.948 604 2HB GLU 78 HB1 GLU 78 13.232 -2.950 -2.950 605 1HG GLU 78 HG2 GLU 78 10.763 -1.199 -1.199 606 2HG GLU 78 HG1 GLU 78 10.776 -2.898 -2.898 607 H GLY 79 HN GLY 79 15.557 -1.701 -1.701 608 1HA GLY 79 HA2 GLY 79 16.318 -1.833 -1.833 609 2HA GLY 79 HA1 GLY 79 14.643 -1.609 -1.609 610 H HIS 80 HN HIS 80 14.443 -3.613 -3.613 611 HA HIS 80 HA HIS 80 13.949 -5.980 -5.980 612 1HB HIS 80 HB2 HIS 80 13.797 -5.229 -5.229 613 2HB HIS 80 HB1 HIS 80 13.986 -6.945 -6.945 614 HD1 HIS 80 HD1 HIS 80 12.240 -7.104 -7.104 615 HD2 HIS 80 HD2 HIS 80 11.079 -5.120 -5.120 616 HE1 HIS 80 HE1 HIS 80 9.706 -6.997 -6.997 617 H VAL 81 HN VAL 81 16.075 -5.453 -5.453 618 HA VAL 81 HA VAL 81 18.016 -6.616 -6.616 619 HB VAL 81 HB VAL 81 19.793 -6.008 -6.008 620 1HG1 VAL 81 HG12 VAL 81 18.266 -4.290 -4.290 621 2HG1 VAL 81 HG11 VAL 81 19.508 -3.549 -3.549 622 3HG1 VAL 81 HG13 VAL 81 19.933 -4.856 -4.856 623 1HG2 VAL 81 HG23 VAL 81 18.016 -5.482 -5.482 624 2HG2 VAL 81 HG22 VAL 81 19.018 -4.079 -4.079 625 3HG2 VAL 81 HG21 VAL 81 17.407 -4.218 -4.218 626 H SER 82 HN SER 82 16.079 -8.068 -8.068 627 HA SER 82 HA SER 82 17.952 -10.119 -10.119 628 1HB SER 82 HB2 SER 82 15.039 -9.487 -9.487 629 2HB SER 82 HB1 SER 82 15.478 -11.192 -11.192 630 HG SER 82 HG SER 82 17.139 -10.490 -10.490 631 H CYS 83 HN CYS 83 15.849 -9.262 -9.262 632 HA CYS 83 HA CYS 83 15.739 -11.896 -11.896 633 1HB CYS 83 HB2 CYS 83 14.802 -10.378 -10.378 634 2HB CYS 83 HB1 CYS 83 13.837 -10.594 -10.594 635 HG CYS 83 HG CYS 83 13.910 -8.052 -8.052 636 H VAL 84 HN VAL 84 17.322 -8.740 -8.740 637 HA VAL 84 HA VAL 84 18.740 -9.284 -9.284 638 HB VAL 84 HB VAL 84 20.470 -7.767 -7.767 639 1HG1 VAL 84 HG11 VAL 84 17.638 -7.106 -7.106 640 2HG1 VAL 84 HG13 VAL 84 18.943 -5.937 -5.937 641 3HG1 VAL 84 HG12 VAL 84 18.564 -6.532 -6.532 642 1HG2 VAL 84 HG22 VAL 84 19.328 -8.510 -8.510 643 2HG2 VAL 84 HG21 VAL 84 21.014 -8.521 -8.521 644 3HG2 VAL 84 HG23 VAL 84 20.196 -6.992 -6.992 645 H LYS 85 HN LYS 85 19.494 -10.281 -10.281 646 HA LYS 85 HA LYS 85 22.008 -11.426 -11.426 647 1HB LYS 85 HB2 LYS 85 19.715 -12.026 -12.026 648 2HB LYS 85 HB1 LYS 85 21.164 -13.014 -13.014 649 1HG LYS 85 HG2 LYS 85 22.370 -10.628 -10.628 650 2HG LYS 85 HG1 LYS 85 20.812 -10.137 -10.137 651 1HD LYS 85 HD2 LYS 85 21.987 -10.736 -10.736 652 2HD LYS 85 HD1 LYS 85 21.114 -12.223 -12.223 653 1HE LYS 85 HE2 LYS 85 23.062 -13.214 -13.214 654 2HE LYS 85 HE1 LYS 85 23.933 -11.681 -11.681 655 1HZ LYS 85 HZ3 LYS 85 22.934 -12.904 -12.904 656 2HZ LYS 85 HZ2 LYS 85 24.416 -13.392 -13.392 657 3HZ LYS 85 HZ1 LYS 85 24.183 -11.775 -11.775 658 H LEU 86 HN LEU 86 19.202 -13.614 -13.614 659 HA LEU 86 HA LEU 86 20.500 -15.694 -15.694 660 1HB LEU 86 HB2 LEU 86 18.304 -16.844 -16.844 661 2HB LEU 86 HB1 LEU 86 18.760 -16.324 -16.324 662 HG LEU 86 HG LEU 86 16.379 -15.922 -15.922 663 1HD1 LEU 86 HD11 LEU 86 17.934 -14.340 -14.340 664 2HD1 LEU 86 HD13 LEU 86 17.569 -13.187 -13.187 665 3HD1 LEU 86 HD12 LEU 86 16.263 -13.893 -13.893 666 1HD2 LEU 86 HD22 LEU 86 16.892 -15.399 -15.399 667 2HD2 LEU 86 HD21 LEU 86 15.593 -14.515 -14.515 668 3HD2 LEU 86 HD23 LEU 86 17.162 -13.750 -13.750 669 H LEU 87 HN LEU 87 19.441 -12.854 -12.854 670 HA LEU 87 HA LEU 87 18.141 -13.825 -13.825 671 1HB LEU 87 HB2 LEU 87 18.652 -11.317 -11.317 672 2HB LEU 87 HB1 LEU 87 19.414 -11.258 -11.258 673 HG LEU 87 HG LEU 87 16.562 -12.167 -12.167 674 1HD1 LEU 87 HD12 LEU 87 17.666 -9.471 -9.471 675 2HD1 LEU 87 HD11 LEU 87 15.967 -9.929 -9.929 676 3HD1 LEU 87 HD13 LEU 87 16.747 -9.826 -9.826 677 1HD2 LEU 87 HD21 LEU 87 18.239 -11.536 -11.536 678 2HD2 LEU 87 HD23 LEU 87 17.405 -13.044 -13.044 679 3HD2 LEU 87 HD22 LEU 87 16.478 -11.607 -11.607 680 H LEU 88 HN LEU 88 21.242 -11.985 -11.985 681 HA LEU 88 HA LEU 88 22.086 -12.896 -12.896 682 1HB LEU 88 HB2 LEU 88 24.334 -12.304 -12.304 683 2HB LEU 88 HB1 LEU 88 23.280 -11.111 -11.111 684 HG LEU 88 HG LEU 88 24.925 -11.621 -11.621 685 1HD1 LEU 88 HD13 LEU 88 22.506 -11.692 -11.692 686 2HD1 LEU 88 HD12 LEU 88 22.649 -13.450 -13.450 687 3HD1 LEU 88 HD11 LEU 88 23.665 -12.489 -12.489 688 1HD2 LEU 88 HD23 LEU 88 25.296 -13.979 -13.979 689 2HD2 LEU 88 HD22 LEU 88 25.963 -13.626 -13.626 690 3HD2 LEU 88 HD21 LEU 88 24.467 -14.547 -14.547 691 H SER 89 HN SER 89 21.660 -14.713 -14.713 692 HA SER 89 HA SER 89 23.609 -16.760 -16.760 693 1HB SER 89 HB2 SER 89 21.804 -16.401 -16.401 694 2HB SER 89 HB1 SER 89 20.788 -17.391 -17.391 695 HG SER 89 HG SER 89 23.413 -18.119 -18.119 696 H LYS 90 HN LYS 90 20.813 -15.822 -15.822 697 HA LYS 90 HA LYS 90 20.807 -18.343 -18.343 698 1HB LYS 90 HB2 LYS 90 18.872 -16.108 -16.108 699 2HB LYS 90 HB1 LYS 90 18.796 -16.924 -16.924 700 1HG LYS 90 HG2 LYS 90 17.285 -18.084 -18.084 701 2HG LYS 90 HG1 LYS 90 18.702 -19.119 -19.119 702 1HD LYS 90 HD2 LYS 90 18.227 -19.120 -19.120 703 2HD LYS 90 HD1 LYS 90 19.455 -17.862 -17.862 704 1HE LYS 90 HE2 LYS 90 17.834 -16.122 -16.122 705 2HE LYS 90 HE1 LYS 90 16.501 -17.235 -17.235 706 1HZ LYS 90 HZ1 LYS 90 17.407 -18.360 -18.360 707 2HZ LYS 90 HZ3 LYS 90 18.072 -16.829 -16.829 708 3HZ LYS 90 HZ2 LYS 90 16.393 -17.001 -17.001 709 H GLY 91 HN GLY 91 21.968 -15.144 -15.144 710 1HA GLY 91 HA2 GLY 91 23.694 -14.832 -14.832 711 2HA GLY 91 HA1 GLY 91 22.338 -15.160 -15.160 712 H ALA 92 HN ALA 92 20.784 -13.530 -13.530 713 HA ALA 92 HA ALA 92 20.152 -11.272 -11.272 714 1HB ALA 92 HB2 ALA 92 20.024 -12.053 -12.053 715 2HB ALA 92 HB1 ALA 92 20.557 -10.370 -10.370 716 3HB ALA 92 HB3 ALA 92 19.045 -10.846 -10.846 717 H ASP 93 HN ASP 93 23.258 -12.015 -12.015 718 HA ASP 93 HA ASP 93 25.257 -10.733 -10.733 719 1HB ASP 93 HB2 ASP 93 24.507 -10.399 -10.399 720 2HB ASP 93 HB1 ASP 93 23.746 -8.898 -8.898 721 H LYS 94 HN LYS 94 24.106 -7.674 -7.674 722 HA LYS 94 HA LYS 94 23.072 -6.974 -6.974 723 1HB LYS 94 HB2 LYS 94 25.362 -7.303 -7.303 724 2HB LYS 94 HB1 LYS 94 25.972 -6.303 -6.303 725 1HG LYS 94 HG2 LYS 94 25.926 -4.994 -4.994 726 2HG LYS 94 HG1 LYS 94 24.726 -4.378 -4.378 727 1HD LYS 94 HD2 LYS 94 23.677 -6.480 -6.480 728 2HD LYS 94 HD1 LYS 94 24.212 -5.035 -5.035 729 1HE LYS 94 HE2 LYS 94 22.837 -3.819 -3.819 730 2HE LYS 94 HE1 LYS 94 21.974 -5.355 -5.355 731 1HZ LYS 94 HZ1 LYS 94 21.877 -5.027 -5.027 732 2HZ LYS 94 HZ3 LYS 94 22.265 -3.409 -3.409 733 3HZ LYS 94 HZ2 LYS 94 20.848 -4.087 -4.087 734 H THR 95 HN THR 95 24.548 -6.088 -6.088 735 HA THR 95 HA THR 95 22.793 -3.668 -3.668 736 HB THR 95 HB THR 95 24.609 -2.713 -2.713 737 HG1 THR 95 HG1 THR 95 26.257 -4.515 -4.515 738 1HG2 THR 95 HG22 THR 95 24.171 -1.945 -1.945 739 2HG2 THR 95 HG21 THR 95 25.314 -3.153 -3.153 740 3HG2 THR 95 HG23 THR 95 25.876 -1.830 -1.830 741 H VAL 96 HN VAL 96 21.718 -5.937 -5.937 742 HA VAL 96 HA VAL 96 22.369 -6.663 -6.663 743 HB VAL 96 HB VAL 96 19.797 -7.042 -7.042 744 1HG1 VAL 96 HG13 VAL 96 20.829 -8.212 -8.212 745 2HG1 VAL 96 HG12 VAL 96 19.537 -8.966 -8.966 746 3HG1 VAL 96 HG11 VAL 96 19.317 -7.346 -7.346 747 1HG2 VAL 96 HG23 VAL 96 22.238 -8.802 -8.802 748 2HG2 VAL 96 HG22 VAL 96 21.646 -8.113 -8.113 749 3HG2 VAL 96 HG21 VAL 96 20.714 -9.364 -9.364 750 H LYS 97 HN LYS 97 20.523 -4.033 -4.033 751 HA LYS 97 HA LYS 97 20.057 -3.030 -3.030 752 1HB LYS 97 HB2 LYS 97 18.031 -4.622 -4.622 753 2HB LYS 97 HB1 LYS 97 17.432 -2.970 -2.970 754 1HG LYS 97 HG2 LYS 97 17.793 -2.958 -2.958 755 2HG LYS 97 HG1 LYS 97 18.770 -4.425 -4.425 756 1HD LYS 97 HD2 LYS 97 16.713 -5.636 -5.636 757 2HD LYS 97 HD1 LYS 97 15.790 -4.180 -4.180 758 1HE LYS 97 HE2 LYS 97 17.554 -5.435 -5.435 759 2HE LYS 97 HE1 LYS 97 15.932 -6.060 -6.060 760 1HZ LYS 97 HZ1 LYS 97 16.550 -3.218 -3.218 761 2HZ LYS 97 HZ3 LYS 97 16.020 -4.343 -4.343 762 3HZ LYS 97 HZ2 LYS 97 15.008 -3.916 -3.916 763 H GLY 98 HN GLY 98 20.613 -2.382 -2.382 764 1HA GLY 98 HA2 GLY 98 19.092 0.095 0.095 765 2HA GLY 98 HA1 GLY 98 20.389 -0.413 -0.413 766 HA PRO 99 HA PRO 99 21.535 3.195 3.195 767 1HB PRO 99 HB2 PRO 99 22.740 3.983 3.983 768 2HB PRO 99 HB1 PRO 99 21.878 4.990 4.990 769 1HG PRO 99 HG2 PRO 99 20.778 4.052 4.052 770 2HG PRO 99 HG1 PRO 99 19.827 4.563 4.563 771 1HD PRO 99 HD2 PRO 99 20.161 1.861 1.861 772 2HD PRO 99 HD1 PRO 99 19.084 2.410 2.410 773 H ASP 100 HN ASP 100 23.680 2.509 2.509 774 HA ASP 100 HA ASP 100 25.376 0.688 0.688 775 1HB ASP 100 HB2 ASP 100 25.990 2.804 2.804 776 2HB ASP 100 HB1 ASP 100 26.411 3.516 3.516 777 H GLY 101 HN GLY 101 27.208 2.820 2.820 778 1HA GLY 101 HA2 GLY 101 27.687 0.928 0.928 779 2HA GLY 101 HA1 GLY 101 28.088 2.644 2.644 780 H LEU 102 HN LEU 102 24.821 2.600 2.600 781 HA LEU 102 HA LEU 102 24.056 3.528 3.528 782 1HB LEU 102 HB2 LEU 102 22.580 3.544 3.544 783 2HB LEU 102 HB1 LEU 102 22.139 1.897 1.897 784 HG LEU 102 HG LEU 102 21.779 4.366 4.366 785 1HD1 LEU 102 HD12 LEU 102 19.951 2.761 2.761 786 2HD1 LEU 102 HD11 LEU 102 19.317 3.416 3.416 787 3HD1 LEU 102 HD13 LEU 102 19.984 4.500 4.500 788 1HD2 LEU 102 HD23 LEU 102 21.354 1.429 1.429 789 2HD2 LEU 102 HD22 LEU 102 22.177 2.611 2.611 790 3HD2 LEU 102 HD21 LEU 102 20.418 2.643 2.643 791 H THR 103 HN THR 103 22.886 0.386 0.386 792 HA THR 103 HA THR 103 22.236 -1.340 -1.340 793 HB THR 103 HB THR 103 24.183 -2.247 -2.247 794 HG1 THR 103 HG1 THR 103 25.222 -3.237 -3.237 795 1HG2 THR 103 HG21 THR 103 25.691 -0.215 -0.215 796 2HG2 THR 103 HG23 THR 103 26.482 -1.544 -1.544 797 3HG2 THR 103 HG22 THR 103 25.597 -0.317 -0.317 798 H ALA 104 HN ALA 104 24.822 -1.339 -1.339 799 HA ALA 104 HA ALA 104 23.185 -0.146 -0.146 800 1HB ALA 104 HB2 ALA 104 25.677 -1.850 -1.850 801 2HB ALA 104 HB1 ALA 104 25.023 -1.134 -1.134 802 3HB ALA 104 HB3 ALA 104 24.063 -2.292 -2.292 803 H LEU 105 HN LEU 105 26.169 0.591 0.591 804 HA LEU 105 HA LEU 105 27.452 2.252 2.252 805 1HB LEU 105 HB2 LEU 105 27.309 2.964 2.964 806 2HB LEU 105 HB1 LEU 105 28.648 3.166 3.166 807 HG LEU 105 HG LEU 105 27.599 0.551 0.551 808 1HD1 LEU 105 HD13 LEU 105 28.985 1.979 1.979 809 2HD1 LEU 105 HD12 LEU 105 30.278 1.927 1.927 810 3HD1 LEU 105 HD11 LEU 105 29.757 0.444 0.444 811 1HD2 LEU 105 HD22 LEU 105 29.746 1.153 1.153 812 2HD2 LEU 105 HD21 LEU 105 28.305 0.161 0.161 813 3HD2 LEU 105 HD23 LEU 105 29.606 -0.398 -0.398 814 H GLU 106 HN GLU 106 25.512 3.583 3.583 815 HA GLU 106 HA GLU 106 25.345 6.113 6.113 816 1HB GLU 106 HB2 GLU 106 25.231 6.790 6.790 817 2HB GLU 106 HB1 GLU 106 24.970 5.133 5.133 818 1HG GLU 106 HG2 GLU 106 22.534 5.435 5.435 819 2HG GLU 106 HG1 GLU 106 22.886 7.153 7.153 820 H ALA 107 HN ALA 107 23.618 3.300 3.300 821 HA ALA 107 HA ALA 107 20.937 4.363 4.363 822 1HB ALA 107 HB1 ALA 107 22.209 1.842 1.842 823 2HB ALA 107 HB3 ALA 107 20.510 2.223 2.223 824 3HB ALA 107 HB2 ALA 107 21.105 2.018 2.018 825 H THR 108 HN THR 108 23.312 3.590 3.590 826 HA THR 108 HA THR 108 21.896 5.624 5.624 827 HB THR 108 HB THR 108 20.596 3.523 3.523 828 HG1 THR 108 HG1 THR 108 21.135 5.119 5.119 829 1HG2 THR 108 HG21 THR 108 22.829 2.176 2.176 830 2HG2 THR 108 HG23 THR 108 22.957 2.382 2.382 831 3HG2 THR 108 HG22 THR 108 21.563 1.549 1.549 832 H ASP 109 HN ASP 109 22.781 4.419 4.419 833 HA ASP 109 HA ASP 109 25.711 4.438 4.438 834 1HB ASP 109 HB2 ASP 109 24.855 6.835 6.835 835 2HB ASP 109 HB1 ASP 109 24.300 6.281 6.281 836 H ASN 110 HN ASN 110 22.873 3.127 3.127 837 HA ASN 110 HA ASN 110 23.923 2.421 2.421 838 1HB ASN 110 HB2 ASN 110 21.967 1.022 1.022 839 2HB ASN 110 HB1 ASN 110 21.428 2.521 2.521 840 1HD2 ASN 110 HD21 ASN 110 22.860 1.465 1.465 841 2HD2 ASN 110 HD22 ASN 110 21.727 0.400 0.400 842 H GLN 111 HN GLN 111 25.006 0.512 0.512 843 HA GLN 111 HA GLN 111 26.459 -0.633 -0.633 844 1HB GLN 111 HB2 GLN 111 27.604 -0.311 -0.311 845 2HB GLN 111 HB1 GLN 111 26.387 -1.180 -1.180 846 1HG GLN 111 HG2 GLN 111 27.117 -3.271 -3.271 847 2HG GLN 111 HG1 GLN 111 27.917 -2.578 -2.578 848 1HE2 GLN 111 HE21 GLN 111 29.721 -0.838 -0.838 849 2HE2 GLN 111 HE22 GLN 111 30.736 -1.370 -1.370 850 H ALA 112 HN ALA 112 23.348 -1.403 -1.403 851 HA ALA 112 HA ALA 112 23.637 -4.329 -4.329 852 1HB ALA 112 HB2 ALA 112 21.735 -3.264 -3.264 853 2HB ALA 112 HB1 ALA 112 21.144 -2.639 -2.639 854 3HB ALA 112 HB3 ALA 112 21.195 -4.379 -4.379 855 H ILE 113 HN ILE 113 22.552 -1.712 -1.712 856 HA ILE 113 HA ILE 113 22.024 -3.205 -3.205 857 HB ILE 113 HB ILE 113 22.512 -0.352 -0.352 858 1HG1 ILE 113 HG12 ILE 113 20.337 -0.143 -0.143 859 2HG1 ILE 113 HG11 ILE 113 20.264 -1.899 -1.899 860 1HG2 ILE 113 HG23 ILE 113 22.726 -1.440 -1.440 861 2HG2 ILE 113 HG22 ILE 113 22.144 0.202 0.202 862 3HG2 ILE 113 HG21 ILE 113 23.755 -0.266 -0.266 863 1HD1 ILE 113 HD13 ILE 113 20.705 -1.394 -1.394 864 2HD1 ILE 113 HD12 ILE 113 19.996 0.163 0.163 865 3HD1 ILE 113 HD11 ILE 113 19.077 -1.320 -1.320 866 H LYS 114 HN LYS 114 24.660 -1.139 -1.139 867 HA LYS 114 HA LYS 114 26.404 -1.569 -1.569 868 1HB LYS 114 HB2 LYS 114 27.253 -1.215 -1.215 869 2HB LYS 114 HB1 LYS 114 28.135 -0.708 -0.708 870 1HG LYS 114 HG2 LYS 114 25.381 0.361 0.361 871 2HG LYS 114 HG1 LYS 114 26.868 1.153 1.153 872 1HD LYS 114 HD2 LYS 114 27.565 1.220 1.220 873 2HD LYS 114 HD1 LYS 114 25.946 0.656 0.656 874 1HE LYS 114 HE2 LYS 114 25.073 2.633 2.633 875 2HE LYS 114 HE1 LYS 114 26.728 3.245 3.245 876 1HZ LYS 114 HZ1 LYS 114 26.349 2.679 2.679 877 2HZ LYS 114 HZ3 LYS 114 24.764 3.089 3.089 878 3HZ LYS 114 HZ2 LYS 114 26.026 4.200 4.200 879 H ALA 115 HN ALA 115 25.234 -3.746 -3.746 880 HA ALA 115 HA ALA 115 27.461 -5.513 -5.513 881 1HB ALA 115 HB3 ALA 115 25.219 -5.557 -5.557 882 2HB ALA 115 HB2 ALA 115 24.606 -6.464 -6.464 883 3HB ALA 115 HB1 ALA 115 25.951 -7.101 -7.101 884 H LEU 116 HN LEU 116 24.827 -5.222 -5.222 885 HA LEU 116 HA LEU 116 25.716 -7.542 -7.542 886 1HB LEU 116 HB2 LEU 116 23.711 -5.408 -5.408 887 2HB LEU 116 HB1 LEU 116 24.435 -5.929 -5.929 888 HG LEU 116 HG LEU 116 22.838 -7.560 -7.560 889 1HD1 LEU 116 HD13 LEU 116 22.687 -7.054 -7.054 890 2HD1 LEU 116 HD12 LEU 116 21.636 -8.171 -8.171 891 3HD1 LEU 116 HD11 LEU 116 21.579 -6.445 -6.445 892 1HD2 LEU 116 HD23 LEU 116 24.927 -8.502 -8.502 893 2HD2 LEU 116 HD22 LEU 116 24.437 -9.199 -9.199 894 3HD2 LEU 116 HD21 LEU 116 23.434 -9.435 -9.435 895 H LEU 117 HN LEU 117 26.818 -4.258 -4.258 896 HA LEU 117 HA LEU 117 28.137 -4.324 -4.324 897 1HB LEU 117 HB2 LEU 117 28.418 -2.116 -2.116 898 2HB LEU 117 HB1 LEU 117 27.472 -2.308 -2.308 899 HG LEU 117 HG LEU 117 29.758 -2.875 -2.875 900 1HD1 LEU 117 HD12 LEU 117 30.651 -2.489 -2.489 901 2HD1 LEU 117 HD11 LEU 117 31.143 -1.039 -1.039 902 3HD1 LEU 117 HD13 LEU 117 31.658 -2.626 -2.626 903 1HD2 LEU 117 HD22 LEU 117 28.256 -0.674 -0.674 904 2HD2 LEU 117 HD21 LEU 117 29.860 -0.665 -0.665 905 3HD2 LEU 117 HD23 LEU 117 29.629 -0.030 -0.030 906 H GLN 118 HN GLN 118 28.487 -6.178 -6.178 907 HA GLN 118 HA GLN 118 31.224 -6.171 -6.171 908 1HB GLN 118 HB2 GLN 118 28.991 -8.119 -8.119 909 2HB GLN 118 HB1 GLN 118 30.609 -8.822 -8.822 910 1HG GLN 118 HG2 GLN 118 31.123 -7.582 -7.582 911 2HG GLN 118 HG1 GLN 118 29.620 -6.669 -6.669 912 1HE2 GLN 118 HE21 GLN 118 27.618 -8.414 -8.414 913 2HE2 GLN 118 HE22 GLN 118 27.635 -9.639 -9.639
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