REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2vcq_1_A DATA FIRST_RESID 2 DATA SEQUENCE PNYKLTYFNM RGRAEIIRYI FAYLDIQYED HRIEQADWPE IKSTLPFGKI DATA SEQUENCE PILEVDGLTL HQSLAIARYL TKNTDLAGNT EMEQCHVDAI VDTLDDFMSC DATA SEQUENCE FPWAEKKQDV KEQMFNELLT YNAPHLMQDL DTYLGGREWL IGNSVTWADF DATA SEQUENCE YWEICSTTLL VFKPDLLDNH PRLVTLRKKV QAIPAVANWI KRRPQTKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 2 P C 0.000 177.063 177.300 -0.394 0.000 1.155 2 P CA 0.000 62.917 63.100 -0.305 0.000 0.800 2 P CB 0.000 31.382 31.700 -0.530 0.000 0.726 3 N N 1.070 119.573 118.700 -0.327 0.000 2.434 3 N HA 0.280 5.020 4.740 -0.001 0.000 0.272 3 N C -1.267 174.074 175.510 -0.281 0.000 1.040 3 N CA -0.110 52.816 53.050 -0.208 0.000 0.956 3 N CB 0.531 38.956 38.487 -0.103 0.000 1.108 3 N HN 0.289 8.669 8.380 -0.000 0.000 0.481 4 Y N 1.905 122.220 120.300 0.026 0.000 2.364 4 Y HA 0.313 4.864 4.550 0.001 0.000 0.340 4 Y C 0.149 176.071 175.900 0.037 0.000 0.975 4 Y CA -0.789 57.338 58.100 0.046 0.000 1.089 4 Y CB 1.652 40.113 38.460 0.002 0.000 1.192 4 Y HN 0.360 8.640 8.280 -0.000 0.000 0.454 5 K N 4.150 124.693 120.400 0.239 0.000 2.535 5 K HA 0.496 4.815 4.320 -0.001 0.000 0.253 5 K C -1.976 174.764 176.600 0.234 0.000 0.953 5 K CA -0.829 55.571 56.287 0.189 0.000 0.863 5 K CB 1.066 33.627 32.500 0.100 0.000 1.111 5 K HN 0.656 8.906 8.250 -0.000 0.000 0.431 6 L N 3.607 125.004 121.223 0.291 0.000 2.275 6 L HA 0.436 4.776 4.340 -0.001 0.000 0.288 6 L C -1.008 176.025 176.870 0.271 0.000 1.046 6 L CA 0.432 55.442 54.840 0.284 0.000 0.805 6 L CB 1.692 43.956 42.059 0.342 0.000 1.193 6 L HN 0.595 8.825 8.230 -0.000 0.000 0.426 7 T N 5.231 119.923 114.554 0.231 0.000 2.792 7 T HA 0.572 4.921 4.350 -0.001 0.000 0.280 7 T C -1.452 173.363 174.700 0.191 0.000 0.990 7 T CA -0.197 62.045 62.100 0.238 0.000 0.960 7 T CB 0.896 69.909 68.868 0.241 0.000 0.939 7 T HN 0.530 8.770 8.240 -0.000 0.000 0.439 8 Y N 1.897 122.147 120.300 -0.082 0.000 2.788 8 Y HA 0.568 5.117 4.550 -0.001 0.000 0.335 8 Y C -1.624 174.099 175.900 -0.295 0.000 1.287 8 Y CA -2.100 55.849 58.100 -0.250 0.000 1.068 8 Y CB 0.704 39.113 38.460 -0.084 0.000 1.340 8 Y HN 0.545 8.825 8.280 -0.000 0.000 0.449 9 F N 1.559 121.057 119.950 -0.752 0.000 2.435 9 F HA 0.178 4.705 4.527 -0.000 0.000 0.316 9 F C 0.864 176.516 175.800 -0.246 0.000 1.220 9 F CA -0.064 57.605 58.000 -0.552 0.000 1.241 9 F CB 0.168 38.728 39.000 -0.733 0.000 1.234 9 F HN 0.425 8.725 8.300 -0.000 0.000 0.569 10 N N 2.420 121.157 118.700 0.062 0.000 2.605 10 N HA 0.301 5.041 4.740 -0.001 0.000 0.258 10 N C -1.127 174.421 175.510 0.064 0.000 1.156 10 N CA 0.223 53.309 53.050 0.059 0.000 1.008 10 N CB -0.217 38.285 38.487 0.024 0.000 1.354 10 N HN 0.639 9.019 8.380 -0.000 0.000 0.509 11 M N 1.622 121.307 119.600 0.142 0.000 2.755 11 M HA 0.211 4.691 4.480 -0.001 0.000 0.276 11 M C 0.009 176.465 176.300 0.259 0.000 1.129 11 M CA -0.699 54.688 55.300 0.144 0.000 0.832 11 M CB 1.163 33.818 32.600 0.092 0.000 1.700 11 M HN 0.249 8.539 8.290 -0.000 0.000 0.518 12 R N 1.017 121.625 120.500 0.181 0.000 2.052 12 R HA 0.234 4.573 4.340 -0.001 0.000 0.224 12 R C 1.196 177.596 176.300 0.166 0.000 1.165 12 R CA 1.443 57.647 56.100 0.175 0.000 0.939 12 R CB -0.697 29.660 30.300 0.094 0.000 0.834 12 R HN 0.998 9.268 8.270 -0.000 0.000 0.435 13 G N 1.153 110.008 108.800 0.093 0.000 2.632 13 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.322 13 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.322 13 G C 0.514 175.367 174.900 -0.078 0.000 1.326 13 G CA 0.934 46.062 45.100 0.046 0.000 0.986 13 G HN 0.422 8.712 8.290 -0.000 0.000 0.541 14 R N 0.851 121.255 120.500 -0.160 0.000 2.307 14 R HA 0.311 4.651 4.340 -0.001 0.000 0.199 14 R C 2.693 178.708 176.300 -0.475 0.000 1.000 14 R CA 0.998 56.937 56.100 -0.269 0.000 1.023 14 R CB -0.165 30.047 30.300 -0.146 0.000 0.908 14 R HN 0.521 8.791 8.270 -0.000 0.000 0.473 15 A N 0.784 123.141 122.820 -0.772 0.000 2.081 15 A HA -0.061 4.259 4.320 -0.001 0.000 0.214 15 A C 1.867 179.345 177.584 -0.175 0.000 1.158 15 A CA 0.467 52.202 52.037 -0.504 0.000 0.724 15 A CB 0.063 18.751 19.000 -0.519 0.000 0.826 15 A HN 0.112 8.262 8.150 -0.000 0.000 0.463 16 E N 0.253 120.398 120.200 -0.092 0.000 2.085 16 E HA -0.208 4.141 4.350 -0.001 0.000 0.194 16 E C 1.588 178.128 176.600 -0.100 0.000 0.994 16 E CA 1.406 57.809 56.400 0.005 0.000 0.801 16 E CB -0.352 29.349 29.700 0.002 0.000 0.743 16 E HN 0.499 8.859 8.360 -0.000 0.000 0.453 17 I N 0.188 120.698 120.570 -0.101 0.000 2.264 17 I HA -0.214 3.955 4.170 -0.001 0.000 0.248 17 I C 1.890 177.953 176.117 -0.090 0.000 1.111 17 I CA 1.242 62.516 61.300 -0.044 0.000 1.382 17 I CB -0.164 37.911 38.000 0.125 0.000 1.060 17 I HN 0.213 8.423 8.210 -0.000 0.000 0.418 18 I N 0.031 120.488 120.570 -0.188 0.000 2.252 18 I HA -0.277 3.893 4.170 -0.001 0.000 0.245 18 I C 2.578 178.481 176.117 -0.357 0.000 1.102 18 I CA 1.196 62.281 61.300 -0.357 0.000 1.385 18 I CB -0.470 37.331 38.000 -0.332 0.000 1.064 18 I HN 0.149 8.359 8.210 -0.000 0.000 0.414 19 R N -0.331 120.064 120.500 -0.176 0.000 2.081 19 R HA -0.188 4.151 4.340 -0.001 0.000 0.235 19 R C 2.371 178.488 176.300 -0.305 0.000 1.131 19 R CA 1.474 57.425 56.100 -0.248 0.000 0.960 19 R CB -0.536 29.651 30.300 -0.187 0.000 0.856 19 R HN 0.274 8.544 8.270 -0.000 0.000 0.436 20 Y N 1.112 121.211 120.300 -0.335 0.000 2.145 20 Y HA -0.164 4.385 4.550 -0.001 0.000 0.286 20 Y C 2.224 178.056 175.900 -0.113 0.000 1.145 20 Y CA 0.756 58.684 58.100 -0.287 0.000 1.148 20 Y CB -0.497 37.794 38.460 -0.283 0.000 0.981 20 Y HN -0.019 8.261 8.280 -0.000 0.000 0.507 21 I N -1.613 119.020 120.570 0.105 0.000 2.179 21 I HA -0.342 3.827 4.170 -0.001 0.000 0.242 21 I C 2.053 178.133 176.117 -0.063 0.000 1.088 21 I CA 1.269 62.591 61.300 0.037 0.000 1.357 21 I CB -0.562 37.291 38.000 -0.245 0.000 1.051 21 I HN 0.028 8.238 8.210 -0.000 0.000 0.409 22 F N 1.138 120.939 119.950 -0.248 0.000 2.091 22 F HA -0.278 4.247 4.527 -0.002 0.000 0.299 22 F C 2.618 178.345 175.800 -0.121 0.000 1.103 22 F CA 1.466 59.282 58.000 -0.306 0.000 1.228 22 F CB -1.187 37.404 39.000 -0.681 0.000 0.984 22 F HN 0.031 8.331 8.300 -0.000 0.000 0.477 23 A N -0.955 121.900 122.820 0.058 0.000 1.858 23 A HA -0.281 4.038 4.320 -0.001 0.000 0.216 23 A C 2.145 179.786 177.584 0.096 0.000 1.190 23 A CA 1.730 53.787 52.037 0.033 0.000 0.617 23 A CB -1.632 17.307 19.000 -0.102 0.000 0.827 23 A HN 0.463 8.613 8.150 -0.000 0.000 0.443 24 Y N 0.390 120.713 120.300 0.038 0.000 2.165 24 Y HA -0.130 4.419 4.550 -0.000 0.000 0.286 24 Y C 1.810 177.755 175.900 0.074 0.000 1.155 24 Y CA 1.953 60.119 58.100 0.110 0.000 1.164 24 Y CB -0.177 38.470 38.460 0.311 0.000 0.978 24 Y HN 0.205 8.485 8.280 -0.000 0.000 0.513 25 L N 0.074 121.379 121.223 0.136 0.000 2.599 25 L HA -0.017 4.322 4.340 -0.001 0.000 0.230 25 L C 0.463 177.334 176.870 0.001 0.000 1.141 25 L CA 0.940 55.801 54.840 0.034 0.000 0.877 25 L CB -0.388 41.702 42.059 0.052 0.000 1.009 25 L HN 0.184 8.414 8.230 -0.000 0.000 0.447 26 D N 1.055 121.465 120.400 0.017 0.000 2.699 26 D HA -0.219 4.421 4.640 -0.001 0.000 0.239 26 D C -0.313 176.026 176.300 0.066 0.000 1.136 26 D CA 0.566 54.583 54.000 0.027 0.000 0.668 26 D CB -1.055 39.736 40.800 -0.015 0.000 1.060 26 D HN 0.244 8.614 8.370 -0.000 0.000 0.429 27 I N 1.478 122.118 120.570 0.118 0.000 2.339 27 I HA 0.155 4.324 4.170 -0.001 0.000 0.290 27 I C 0.738 176.932 176.117 0.128 0.000 0.994 27 I CA -0.934 60.455 61.300 0.149 0.000 1.191 27 I CB 1.343 39.470 38.000 0.212 0.000 1.343 27 I HN -0.087 8.123 8.210 -0.000 0.000 0.458 28 Q N 6.421 126.282 119.800 0.101 0.000 2.352 28 Q HA 0.290 4.629 4.340 -0.001 0.000 0.260 28 Q C -0.942 175.083 176.000 0.042 0.000 0.976 28 Q CA 0.108 55.943 55.803 0.052 0.000 0.881 28 Q CB 1.262 30.015 28.738 0.024 0.000 1.235 28 Q HN 0.599 8.869 8.270 -0.000 0.000 0.419 29 Y N -2.519 117.605 120.300 -0.295 0.000 2.689 29 Y HA 0.453 5.001 4.550 -0.003 0.000 0.333 29 Y C -0.998 174.783 175.900 -0.198 0.000 1.208 29 Y CA -1.529 56.357 58.100 -0.356 0.000 1.055 29 Y CB 1.110 38.976 38.460 -0.989 0.000 1.304 29 Y HN 0.560 8.840 8.280 -0.000 0.000 0.455 30 E N 1.353 121.479 120.200 -0.123 0.000 2.115 30 E HA 0.168 4.517 4.350 -0.001 0.000 0.282 30 E C -1.312 175.273 176.600 -0.025 0.000 0.987 30 E CA -0.539 55.787 56.400 -0.123 0.000 0.797 30 E CB 0.672 30.374 29.700 0.003 0.000 1.086 30 E HN 0.657 9.017 8.360 -0.000 0.000 0.397 31 D N 3.944 124.256 120.400 -0.147 0.000 2.563 31 D HA -0.000 4.639 4.640 -0.001 0.000 0.222 31 D C -0.887 175.504 176.300 0.152 0.000 1.145 31 D CA -0.164 53.879 54.000 0.072 0.000 1.001 31 D CB -0.175 40.634 40.800 0.015 0.000 1.049 31 D HN 0.455 8.825 8.370 -0.000 0.000 0.515 32 H N 3.593 122.728 119.070 0.108 0.000 2.800 32 H HA 0.279 4.835 4.556 -0.001 0.000 0.291 32 H C -0.339 175.051 175.328 0.102 0.000 1.076 32 H CA -0.173 55.928 56.048 0.088 0.000 1.452 32 H CB 0.487 30.294 29.762 0.075 0.000 1.461 32 H HN 0.236 8.516 8.280 -0.000 0.000 0.488 33 R N 5.913 126.188 120.500 -0.375 0.000 2.387 33 R HA 0.318 4.658 4.340 -0.001 0.000 0.314 33 R C 0.114 176.169 176.300 -0.408 0.000 0.958 33 R CA -0.718 55.231 56.100 -0.252 0.000 0.846 33 R CB 1.702 31.965 30.300 -0.062 0.000 1.147 33 R HN 0.590 8.860 8.270 -0.000 0.000 0.447 34 I N -1.151 119.261 120.570 -0.263 0.000 2.924 34 I HA 0.467 4.636 4.170 -0.001 0.000 0.316 34 I C 0.031 176.153 176.117 0.008 0.000 1.014 34 I CA -0.843 60.377 61.300 -0.133 0.000 1.106 34 I CB 1.594 39.563 38.000 -0.052 0.000 1.311 34 I HN 0.567 8.777 8.210 -0.000 0.000 0.502 35 E N 2.515 122.757 120.200 0.070 0.000 2.232 35 E HA 0.259 4.608 4.350 -0.001 0.000 0.264 35 E C -0.240 176.468 176.600 0.181 0.000 0.973 35 E CA -0.842 55.619 56.400 0.103 0.000 0.849 35 E CB 1.422 31.163 29.700 0.069 0.000 1.198 35 E HN 0.589 8.949 8.360 -0.000 0.000 0.407 36 Q N 0.709 120.603 119.800 0.157 0.000 2.045 36 Q HA -0.236 4.103 4.340 -0.001 0.000 0.206 36 Q C 2.175 178.315 176.000 0.234 0.000 0.991 36 Q CA 2.415 58.339 55.803 0.202 0.000 0.851 36 Q CB -0.769 28.028 28.738 0.097 0.000 0.911 36 Q HN 0.794 9.064 8.270 -0.000 0.000 0.418 37 A N 1.205 124.116 122.820 0.152 0.000 2.032 37 A HA -0.197 4.123 4.320 -0.001 0.000 0.221 37 A C 1.273 178.943 177.584 0.144 0.000 1.165 37 A CA 1.964 54.078 52.037 0.127 0.000 0.645 37 A CB -0.326 18.725 19.000 0.085 0.000 0.807 37 A HN 0.272 8.422 8.150 -0.000 0.000 0.453 38 D N -2.287 118.221 120.400 0.181 0.000 2.339 38 D HA -0.008 4.632 4.640 -0.001 0.000 0.217 38 D C 1.297 177.757 176.300 0.267 0.000 1.050 38 D CA -0.204 53.906 54.000 0.182 0.000 0.856 38 D CB -0.326 40.574 40.800 0.167 0.000 0.922 38 D HN 0.759 9.129 8.370 -0.000 0.000 0.518 39 W N 2.324 123.675 121.300 0.084 0.000 2.380 39 W HA -0.103 4.556 4.660 -0.002 0.000 0.317 39 W C -1.075 175.483 176.519 0.065 0.000 1.196 39 W CA 0.508 57.905 57.345 0.088 0.000 1.307 39 W CB -0.763 28.813 29.460 0.193 0.000 1.157 39 W HN -0.014 8.166 8.180 -0.000 0.000 0.483 40 P HA -0.285 4.135 4.420 -0.000 0.000 0.216 40 P C 1.216 178.383 177.300 -0.222 0.000 1.154 40 P CA 2.364 65.303 63.100 -0.268 0.000 0.865 40 P CB -0.474 31.167 31.700 -0.098 0.000 0.789 41 E N -0.728 119.418 120.200 -0.091 0.000 2.047 41 E HA -0.139 4.210 4.350 -0.001 0.000 0.191 41 E C 2.036 178.593 176.600 -0.071 0.000 0.987 41 E CA 0.915 57.279 56.400 -0.060 0.000 0.799 41 E CB -0.231 29.468 29.700 -0.002 0.000 0.752 41 E HN -0.018 8.342 8.360 -0.000 0.000 0.449 42 I N 1.571 122.125 120.570 -0.027 0.000 2.252 42 I HA -0.224 3.945 4.170 -0.001 0.000 0.245 42 I C 2.479 178.530 176.117 -0.111 0.000 1.102 42 I CA 1.300 62.614 61.300 0.023 0.000 1.385 42 I CB -1.232 36.902 38.000 0.222 0.000 1.064 42 I HN 0.189 8.399 8.210 -0.000 0.000 0.414 43 K N 1.553 121.678 120.400 -0.458 0.000 2.020 43 K HA -0.227 4.092 4.320 -0.001 0.000 0.212 43 K C 2.329 178.729 176.600 -0.332 0.000 1.050 43 K CA 2.404 58.259 56.287 -0.720 0.000 0.929 43 K CB -0.075 31.593 32.500 -1.387 0.000 0.714 43 K HN 0.384 8.634 8.250 -0.000 0.000 0.443 44 S N -0.150 115.388 115.700 -0.269 0.000 2.420 44 S HA -0.168 4.302 4.470 -0.001 0.000 0.237 44 S C 1.928 176.456 174.600 -0.121 0.000 1.023 44 S CA 1.810 59.909 58.200 -0.169 0.000 0.991 44 S CB -0.973 62.146 63.200 -0.134 0.000 0.792 44 S HN 0.599 8.909 8.310 -0.000 0.000 0.488 45 T N -0.343 114.151 114.554 -0.100 0.000 3.067 45 T HA 0.306 4.655 4.350 -0.001 0.000 0.261 45 T C 0.568 175.234 174.700 -0.057 0.000 1.110 45 T CA -0.172 61.890 62.100 -0.063 0.000 1.113 45 T CB -0.603 68.246 68.868 -0.031 0.000 0.917 45 T HN 0.400 8.640 8.240 -0.000 0.000 0.499 46 L N 2.058 123.246 121.223 -0.059 0.000 2.265 46 L HA 0.344 4.684 4.340 -0.001 0.000 0.288 46 L C -1.374 175.430 176.870 -0.111 0.000 1.058 46 L CA -2.332 52.486 54.840 -0.036 0.000 0.809 46 L CB 1.187 43.276 42.059 0.051 0.000 1.179 46 L HN -0.093 8.137 8.230 -0.000 0.000 0.429 47 P HA -0.221 4.199 4.420 -0.000 0.000 0.217 47 P C 0.802 177.713 177.300 -0.648 0.000 1.158 47 P CA 1.889 64.737 63.100 -0.419 0.000 0.887 47 P CB 0.095 31.542 31.700 -0.421 0.000 0.792 48 F N -3.112 116.740 119.950 -0.163 0.000 2.653 48 F HA 0.406 4.931 4.527 -0.002 0.000 0.304 48 F C 1.556 177.363 175.800 0.011 0.000 1.092 48 F CA 0.215 58.160 58.000 -0.090 0.000 1.279 48 F CB -0.414 38.500 39.000 -0.143 0.000 1.044 48 F HN -0.088 8.212 8.300 -0.000 0.000 0.564 49 G N 1.675 110.537 108.800 0.104 0.000 2.283 49 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.280 49 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.280 49 G C 0.053 175.149 174.900 0.326 0.000 1.029 49 G CA 0.320 45.487 45.100 0.111 0.000 0.840 49 G HN 0.394 8.684 8.290 -0.000 0.000 0.505 50 K N -0.748 119.890 120.400 0.398 0.000 2.508 50 K HA 0.707 5.027 4.320 -0.001 0.000 0.260 50 K C 0.250 177.070 176.600 0.367 0.000 0.949 50 K CA -0.943 55.616 56.287 0.454 0.000 0.834 50 K CB 2.157 34.860 32.500 0.339 0.000 1.365 50 K HN 0.363 8.613 8.250 -0.000 0.000 0.437 51 I N -1.477 119.232 120.570 0.232 0.000 2.846 51 I HA 0.626 4.795 4.170 -0.001 0.000 0.307 51 I C -2.496 173.762 176.117 0.236 0.000 1.053 51 I CA -2.737 58.654 61.300 0.151 0.000 1.050 51 I CB 1.775 39.708 38.000 -0.112 0.000 1.239 51 I HN 0.368 8.578 8.210 -0.000 0.000 0.439 52 P HA 0.341 4.761 4.420 -0.000 0.000 0.272 52 P C -0.863 176.501 177.300 0.106 0.000 1.230 52 P CA -0.032 63.121 63.100 0.088 0.000 0.788 52 P CB 1.195 32.810 31.700 -0.140 0.000 0.949 53 I N -1.411 119.235 120.570 0.127 0.000 2.785 53 I HA 0.660 4.829 4.170 -0.001 0.000 0.302 53 I C -1.315 174.879 176.117 0.128 0.000 1.069 53 I CA -1.525 59.858 61.300 0.139 0.000 1.045 53 I CB 2.220 40.317 38.000 0.162 0.000 1.236 53 I HN 0.075 8.285 8.210 -0.000 0.000 0.429 54 L N 3.744 125.038 121.223 0.118 0.000 2.376 54 L HA 0.538 4.877 4.340 -0.001 0.000 0.275 54 L C -0.843 176.112 176.870 0.142 0.000 0.987 54 L CA 0.075 55.007 54.840 0.154 0.000 0.828 54 L CB 1.777 43.927 42.059 0.152 0.000 1.249 54 L HN 0.683 8.913 8.230 -0.000 0.000 0.409 55 E N 4.521 124.813 120.200 0.154 0.000 2.146 55 E HA 0.473 4.823 4.350 -0.001 0.000 0.282 55 E C -1.155 175.513 176.600 0.114 0.000 0.989 55 E CA -0.669 55.793 56.400 0.103 0.000 0.799 55 E CB 2.063 31.805 29.700 0.072 0.000 1.088 55 E HN 0.384 8.744 8.360 -0.000 0.000 0.397 56 V N 3.737 123.685 119.914 0.058 0.000 2.357 56 V HA 0.058 4.178 4.120 -0.001 0.000 0.284 56 V C -0.156 175.896 176.094 -0.071 0.000 1.018 56 V CA -0.806 61.478 62.300 -0.027 0.000 0.841 56 V CB 1.306 33.144 31.823 0.025 0.000 0.991 56 V HN 0.750 8.940 8.190 -0.000 0.000 0.437 57 D N 4.484 124.813 120.400 -0.118 0.000 2.702 57 D HA -0.214 4.426 4.640 -0.001 0.000 0.233 57 D C 1.380 177.655 176.300 -0.043 0.000 1.164 57 D CA 1.766 55.717 54.000 -0.082 0.000 0.638 57 D CB -0.977 39.774 40.800 -0.081 0.000 1.041 57 D HN 1.410 9.780 8.370 -0.000 0.000 0.422 58 G N -1.406 107.378 108.800 -0.028 0.000 2.159 58 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.256 58 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.256 58 G C 0.237 175.133 174.900 -0.006 0.000 0.977 58 G CA 0.331 45.422 45.100 -0.014 0.000 0.652 58 G HN 0.490 8.780 8.290 -0.000 0.000 0.531 59 L N 1.716 122.936 121.223 -0.006 0.000 2.287 59 L HA 0.481 4.820 4.340 -0.001 0.000 0.287 59 L C 0.376 177.254 176.870 0.012 0.000 1.022 59 L CA -0.768 54.071 54.840 -0.002 0.000 0.814 59 L CB 1.807 43.857 42.059 -0.015 0.000 1.217 59 L HN 0.050 8.280 8.230 -0.000 0.000 0.420 60 T N 4.841 119.412 114.554 0.027 0.000 2.832 60 T HA 0.504 4.854 4.350 -0.001 0.000 0.296 60 T C 0.007 174.749 174.700 0.069 0.000 0.968 60 T CA -0.118 62.015 62.100 0.055 0.000 1.107 60 T CB 0.489 69.395 68.868 0.063 0.000 0.916 60 T HN 0.277 8.517 8.240 -0.000 0.000 0.517 61 L N 3.888 125.154 121.223 0.073 0.000 2.354 61 L HA 0.672 5.011 4.340 -0.001 0.000 0.269 61 L C 0.099 177.058 176.870 0.147 0.000 1.005 61 L CA -1.196 53.680 54.840 0.061 0.000 0.819 61 L CB 1.805 43.816 42.059 -0.080 0.000 1.311 61 L HN 0.873 9.103 8.230 -0.000 0.000 0.423 62 H N -0.198 118.871 119.070 -0.001 0.000 2.908 62 H HA 0.615 5.170 4.556 -0.001 0.000 0.350 62 H C -1.396 173.911 175.328 -0.035 0.000 1.217 62 H CA -0.890 55.169 56.048 0.019 0.000 1.168 62 H CB 1.424 31.239 29.762 0.089 0.000 1.891 62 H HN 0.377 8.657 8.280 -0.000 0.000 0.566 63 Q N 0.467 120.201 119.800 -0.109 0.000 2.418 63 Q HA -0.149 4.191 4.340 -0.001 0.000 0.290 63 Q C 0.999 176.912 176.000 -0.146 0.000 1.266 63 Q CA 0.682 56.382 55.803 -0.171 0.000 0.732 63 Q CB -1.097 27.431 28.738 -0.350 0.000 0.850 63 Q HN 1.094 9.364 8.270 -0.000 0.000 0.314 64 S N 1.520 117.158 115.700 -0.103 0.000 2.374 64 S HA -0.169 4.301 4.470 -0.001 0.000 0.227 64 S C 1.687 176.182 174.600 -0.175 0.000 1.037 64 S CA 1.635 59.751 58.200 -0.140 0.000 1.024 64 S CB -0.075 63.043 63.200 -0.137 0.000 0.861 64 S HN 0.616 8.926 8.310 -0.000 0.000 0.456 65 L N 1.112 122.254 121.223 -0.136 0.000 2.179 65 L HA 0.120 4.460 4.340 -0.001 0.000 0.208 65 L C 3.155 179.925 176.870 -0.166 0.000 1.096 65 L CA 0.824 55.593 54.840 -0.119 0.000 0.779 65 L CB -0.847 41.204 42.059 -0.013 0.000 0.922 65 L HN 0.458 8.688 8.230 -0.000 0.000 0.443 66 A N 0.812 123.535 122.820 -0.162 0.000 1.873 66 A HA -0.158 4.161 4.320 -0.001 0.000 0.215 66 A C 2.216 179.688 177.584 -0.187 0.000 1.186 66 A CA 1.420 53.356 52.037 -0.168 0.000 0.616 66 A CB -0.570 18.306 19.000 -0.207 0.000 0.823 66 A HN 0.308 8.458 8.150 -0.000 0.000 0.442 67 I N -0.112 120.333 120.570 -0.207 0.000 2.179 67 I HA -0.292 3.878 4.170 -0.001 0.000 0.242 67 I C 2.997 178.938 176.117 -0.292 0.000 1.088 67 I CA 1.123 62.309 61.300 -0.190 0.000 1.357 67 I CB -0.417 37.473 38.000 -0.183 0.000 1.051 67 I HN 0.347 8.557 8.210 -0.000 0.000 0.409 68 A N 0.719 123.267 122.820 -0.452 0.000 1.883 68 A HA -0.281 4.038 4.320 -0.001 0.000 0.217 68 A C 2.453 179.443 177.584 -0.991 0.000 1.186 68 A CA 2.083 53.666 52.037 -0.756 0.000 0.624 68 A CB -0.732 17.745 19.000 -0.873 0.000 0.822 68 A HN 0.370 8.520 8.150 -0.000 0.000 0.444 69 R N -2.087 117.910 120.500 -0.837 0.000 2.081 69 R HA -0.187 4.153 4.340 -0.001 0.000 0.235 69 R C 2.094 178.177 176.300 -0.362 0.000 1.131 69 R CA 1.827 57.561 56.100 -0.610 0.000 0.960 69 R CB -0.510 29.657 30.300 -0.221 0.000 0.856 69 R HN 0.643 8.913 8.270 -0.000 0.000 0.436 70 Y N 1.186 121.276 120.300 -0.350 0.000 2.128 70 Y HA -0.229 4.319 4.550 -0.003 0.000 0.284 70 Y C 1.769 177.510 175.900 -0.265 0.000 1.154 70 Y CA 1.876 59.830 58.100 -0.242 0.000 1.149 70 Y CB -0.374 37.975 38.460 -0.185 0.000 0.976 70 Y HN 0.042 8.322 8.280 -0.000 0.000 0.505 71 L N -0.221 120.730 121.223 -0.453 0.000 2.191 71 L HA -0.174 4.165 4.340 -0.001 0.000 0.212 71 L C 2.346 178.922 176.870 -0.491 0.000 1.103 71 L CA 1.810 56.315 54.840 -0.559 0.000 0.769 71 L CB -0.845 40.832 42.059 -0.637 0.000 0.908 71 L HN 0.435 8.665 8.230 -0.000 0.000 0.438 72 T N -4.335 109.916 114.554 -0.505 0.000 3.100 72 T HA 0.039 4.388 4.350 -0.001 0.000 0.253 72 T C 0.903 175.440 174.700 -0.271 0.000 1.118 72 T CA -0.318 61.545 62.100 -0.395 0.000 1.058 72 T CB -0.070 68.489 68.868 -0.515 0.000 0.953 72 T HN -0.050 8.190 8.240 -0.000 0.000 0.515 73 K N 2.997 123.222 120.400 -0.292 0.000 2.511 73 K HA 0.032 4.351 4.320 -0.001 0.000 0.280 73 K C 0.203 176.705 176.600 -0.163 0.000 1.008 73 K CA 0.286 56.451 56.287 -0.203 0.000 1.050 73 K CB 0.004 32.367 32.500 -0.227 0.000 0.889 73 K HN 0.311 8.561 8.250 -0.000 0.000 0.484 74 N N -0.208 118.430 118.700 -0.103 0.000 2.782 74 N HA -0.159 4.580 4.740 -0.001 0.000 0.251 74 N C -0.149 175.322 175.510 -0.065 0.000 1.101 74 N CA 1.620 54.625 53.050 -0.074 0.000 0.764 74 N CB -1.513 36.930 38.487 -0.073 0.000 1.122 74 N HN 0.844 9.224 8.380 -0.000 0.000 0.561 75 T N -4.820 109.692 114.554 -0.070 0.000 2.907 75 T HA 0.500 4.850 4.350 -0.001 0.000 0.290 75 T C 0.595 175.272 174.700 -0.038 0.000 1.066 75 T CA -0.690 61.382 62.100 -0.047 0.000 1.012 75 T CB 1.961 70.800 68.868 -0.048 0.000 1.184 75 T HN -0.228 8.012 8.240 -0.000 0.000 0.522 76 D N 0.177 120.566 120.400 -0.019 0.000 2.310 76 D HA 0.038 4.678 4.640 -0.001 0.000 0.212 76 D C 1.877 178.124 176.300 -0.088 0.000 0.965 76 D CA 0.543 54.521 54.000 -0.037 0.000 0.879 76 D CB -0.106 40.684 40.800 -0.017 0.000 0.921 76 D HN 0.449 8.819 8.370 -0.000 0.000 0.510 77 L N 0.323 121.484 121.223 -0.105 0.000 2.291 77 L HA -0.042 4.297 4.340 -0.001 0.000 0.214 77 L C 2.261 179.135 176.870 0.005 0.000 1.120 77 L CA 0.529 55.258 54.840 -0.185 0.000 0.799 77 L CB -0.184 41.719 42.059 -0.259 0.000 0.925 77 L HN -0.019 8.211 8.230 -0.000 0.000 0.446 78 A N -0.236 122.597 122.820 0.021 0.000 2.067 78 A HA 0.340 4.659 4.320 -0.001 0.000 0.217 78 A C 1.167 178.796 177.584 0.076 0.000 1.156 78 A CA 0.913 53.023 52.037 0.121 0.000 0.683 78 A CB -0.214 18.802 19.000 0.026 0.000 0.808 78 A HN 0.439 8.589 8.150 -0.000 0.000 0.455 79 G N -1.445 107.356 108.800 0.002 0.000 2.742 79 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.686 79 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.686 79 G C -0.201 174.693 174.900 -0.010 0.000 1.220 79 G CA -0.117 44.977 45.100 -0.010 0.000 0.783 79 G HN 0.225 8.515 8.290 -0.000 0.000 0.646 80 N N -0.753 117.940 118.700 -0.011 0.000 2.416 80 N HA 0.184 4.924 4.740 -0.001 0.000 0.177 80 N C 1.196 176.704 175.510 -0.003 0.000 1.036 80 N CA 1.371 54.415 53.050 -0.009 0.000 0.901 80 N CB 0.382 38.864 38.487 -0.009 0.000 0.976 80 N HN 0.938 9.318 8.380 -0.000 0.000 0.444 81 T N -2.776 111.779 114.554 0.002 0.000 2.916 81 T HA 0.378 4.727 4.350 -0.001 0.000 0.292 81 T C 0.497 175.194 174.700 -0.006 0.000 1.055 81 T CA -0.793 61.307 62.100 0.000 0.000 1.009 81 T CB 2.105 70.978 68.868 0.007 0.000 1.118 81 T HN -0.221 8.019 8.240 -0.000 0.000 0.497 82 E N 0.580 120.772 120.200 -0.013 0.000 2.086 82 E HA -0.175 4.174 4.350 -0.001 0.000 0.200 82 E C 1.884 178.454 176.600 -0.049 0.000 1.012 82 E CA 1.720 58.105 56.400 -0.025 0.000 0.812 82 E CB -0.350 29.335 29.700 -0.025 0.000 0.743 82 E HN 0.723 9.083 8.360 -0.000 0.000 0.453 83 M N 0.196 119.766 119.600 -0.051 0.000 2.229 83 M HA -0.151 4.329 4.480 -0.001 0.000 0.264 83 M C 1.600 177.819 176.300 -0.134 0.000 1.063 83 M CA 1.489 56.724 55.300 -0.109 0.000 1.114 83 M CB 0.184 32.750 32.600 -0.056 0.000 1.387 83 M HN 0.025 8.315 8.290 -0.000 0.000 0.420 84 E N -0.626 119.579 120.200 0.009 0.000 2.208 84 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 84 E C 1.950 178.571 176.600 0.034 0.000 0.988 84 E CA 0.878 57.338 56.400 0.101 0.000 0.828 84 E CB 0.009 29.761 29.700 0.086 0.000 0.763 84 E HN 0.658 9.018 8.360 -0.000 0.000 0.478 85 Q N -0.086 119.706 119.800 -0.012 0.000 2.123 85 Q HA -0.143 4.197 4.340 -0.001 0.000 0.199 85 Q C 2.358 178.333 176.000 -0.042 0.000 0.966 85 Q CA 1.031 56.829 55.803 -0.008 0.000 0.845 85 Q CB -0.207 28.532 28.738 0.002 0.000 0.907 85 Q HN 0.305 8.575 8.270 -0.000 0.000 0.439 86 C N 0.313 119.545 119.300 -0.114 0.000 2.432 86 C HA -0.180 4.280 4.460 -0.001 0.000 0.277 86 C C 2.287 177.187 174.990 -0.149 0.000 1.249 86 C CA 1.182 60.102 59.018 -0.164 0.000 1.725 86 C CB -0.771 26.818 27.740 -0.253 0.000 2.028 86 C HN 0.562 8.792 8.230 -0.000 0.000 0.477 87 H N -0.744 118.317 119.070 -0.015 0.000 2.387 87 H HA -0.088 4.467 4.556 -0.001 0.000 0.299 87 H C 2.223 177.509 175.328 -0.070 0.000 1.090 87 H CA 1.826 57.869 56.048 -0.008 0.000 1.332 87 H CB -0.074 29.729 29.762 0.068 0.000 1.386 87 H HN 0.352 8.632 8.280 -0.000 0.000 0.516 88 V N 1.009 120.931 119.914 0.013 0.000 2.287 88 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 88 V C 1.793 177.712 176.094 -0.291 0.000 1.053 88 V CA 2.035 64.232 62.300 -0.172 0.000 1.027 88 V CB -0.313 31.387 31.823 -0.205 0.000 0.646 88 V HN 0.484 8.674 8.190 -0.000 0.000 0.447 89 D N 0.232 120.527 120.400 -0.175 0.000 2.149 89 D HA -0.130 4.510 4.640 -0.001 0.000 0.198 89 D C 2.188 178.404 176.300 -0.141 0.000 0.990 89 D CA 1.665 55.575 54.000 -0.150 0.000 0.839 89 D CB -0.294 40.485 40.800 -0.035 0.000 0.948 89 D HN 0.452 8.822 8.370 -0.000 0.000 0.460 90 A N 0.746 123.506 122.820 -0.099 0.000 1.930 90 A HA -0.116 4.204 4.320 -0.001 0.000 0.217 90 A C 2.164 179.676 177.584 -0.120 0.000 1.175 90 A CA 0.704 52.691 52.037 -0.083 0.000 0.627 90 A CB -0.356 18.617 19.000 -0.044 0.000 0.815 90 A HN 0.112 8.262 8.150 -0.000 0.000 0.443 91 I N -0.110 120.365 120.570 -0.158 0.000 2.252 91 I HA -0.154 4.016 4.170 -0.001 0.000 0.245 91 I C 2.525 178.585 176.117 -0.095 0.000 1.102 91 I CA 1.041 62.238 61.300 -0.171 0.000 1.385 91 I CB -1.301 36.597 38.000 -0.171 0.000 1.064 91 I HN 0.124 8.334 8.210 -0.000 0.000 0.414 92 V N 1.284 121.083 119.914 -0.191 0.000 2.287 92 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 92 V C 2.219 178.310 176.094 -0.006 0.000 1.053 92 V CA 2.047 64.240 62.300 -0.178 0.000 1.027 92 V CB -0.679 30.765 31.823 -0.632 0.000 0.646 92 V HN 0.318 8.508 8.190 -0.000 0.000 0.447 93 D N -0.299 120.072 120.400 -0.049 0.000 2.117 93 D HA -0.135 4.504 4.640 -0.001 0.000 0.197 93 D C 2.294 178.633 176.300 0.064 0.000 0.987 93 D CA 1.805 55.815 54.000 0.017 0.000 0.829 93 D CB -0.462 40.332 40.800 -0.010 0.000 0.961 93 D HN 0.406 8.776 8.370 -0.000 0.000 0.460 94 T N 0.961 115.533 114.554 0.031 0.000 2.708 94 T HA -0.082 4.267 4.350 -0.001 0.000 0.266 94 T C 2.217 176.999 174.700 0.137 0.000 1.037 94 T CA 0.627 62.752 62.100 0.042 0.000 1.146 94 T CB -0.314 68.525 68.868 -0.048 0.000 0.865 94 T HN 0.120 8.361 8.240 -0.000 0.000 0.435 95 L N 0.659 121.987 121.223 0.176 0.000 2.046 95 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 95 L C 2.549 179.607 176.870 0.313 0.000 1.077 95 L CA 1.487 56.489 54.840 0.270 0.000 0.747 95 L CB -0.527 41.701 42.059 0.281 0.000 0.896 95 L HN 0.233 8.463 8.230 -0.000 0.000 0.432 96 D N -0.183 120.432 120.400 0.358 0.000 2.117 96 D HA -0.201 4.438 4.640 -0.001 0.000 0.197 96 D C 1.748 178.193 176.300 0.242 0.000 0.987 96 D CA 1.083 55.285 54.000 0.337 0.000 0.829 96 D CB 0.105 41.083 40.800 0.297 0.000 0.961 96 D HN 0.181 8.551 8.370 -0.000 0.000 0.460 97 D N -0.606 119.918 120.400 0.207 0.000 2.116 97 D HA -0.192 4.448 4.640 -0.001 0.000 0.193 97 D C 1.736 178.175 176.300 0.232 0.000 0.998 97 D CA 0.666 54.773 54.000 0.178 0.000 0.836 97 D CB -0.468 40.417 40.800 0.143 0.000 0.951 97 D HN 0.257 8.627 8.370 -0.000 0.000 0.449 98 F N 1.104 121.132 119.950 0.130 0.000 2.113 98 F HA -0.148 4.379 4.527 -0.001 0.000 0.297 98 F C 2.200 178.166 175.800 0.277 0.000 1.103 98 F CA 1.075 59.169 58.000 0.157 0.000 1.248 98 F CB -0.255 38.842 39.000 0.162 0.000 0.999 98 F HN -0.173 8.127 8.300 -0.000 0.000 0.475 99 M N 0.289 119.991 119.600 0.170 0.000 2.202 99 M HA -0.158 4.321 4.480 -0.001 0.000 0.262 99 M C 2.412 178.930 176.300 0.363 0.000 1.063 99 M CA 1.707 57.138 55.300 0.218 0.000 1.097 99 M CB -1.991 30.734 32.600 0.207 0.000 1.382 99 M HN 0.385 8.675 8.290 -0.000 0.000 0.413 100 S N -0.986 114.855 115.700 0.234 0.000 2.507 100 S HA -0.085 4.385 4.470 -0.001 0.000 0.235 100 S C 2.033 176.663 174.600 0.049 0.000 0.988 100 S CA 0.752 59.074 58.200 0.204 0.000 0.944 100 S CB -1.004 62.290 63.200 0.157 0.000 0.762 100 S HN 0.505 8.815 8.310 -0.000 0.000 0.526 101 C N 0.673 119.909 119.300 -0.107 0.000 2.448 101 C HA 0.330 4.790 4.460 -0.001 0.000 0.280 101 C C 0.707 175.353 174.990 -0.573 0.000 1.398 101 C CA -0.522 58.297 59.018 -0.332 0.000 1.774 101 C CB -1.667 25.789 27.740 -0.474 0.000 1.888 101 C HN 0.553 8.783 8.230 -0.000 0.000 0.519 102 F N 2.734 122.265 119.950 -0.699 0.000 2.438 102 F HA 0.251 4.778 4.527 -0.001 0.000 0.356 102 F C -1.560 173.669 175.800 -0.951 0.000 1.099 102 F CA -2.227 55.050 58.000 -1.205 0.000 1.185 102 F CB 0.219 37.936 39.000 -2.140 0.000 1.115 102 F HN 0.010 8.310 8.300 -0.000 0.000 0.526 103 P HA -0.029 4.391 4.420 -0.000 0.000 0.241 103 P C 0.121 177.434 177.300 0.023 0.000 1.760 103 P CA 0.081 63.109 63.100 -0.119 0.000 1.081 103 P CB -0.338 31.346 31.700 -0.027 0.000 1.975 104 W N 2.396 123.800 121.300 0.174 0.000 2.374 104 W HA -0.056 4.604 4.660 0.000 0.000 0.288 104 W C 2.049 178.627 176.519 0.098 0.000 1.218 104 W CA 0.799 58.243 57.345 0.165 0.000 1.245 104 W CB -0.661 28.865 29.460 0.110 0.000 1.126 104 W HN 0.265 8.445 8.180 -0.000 0.000 0.545 105 A N -0.101 122.878 122.820 0.265 0.000 2.423 105 A HA 0.150 4.470 4.320 -0.001 0.000 0.246 105 A C 0.207 177.851 177.584 0.100 0.000 1.278 105 A CA -0.174 51.958 52.037 0.159 0.000 0.903 105 A CB -0.484 18.603 19.000 0.146 0.000 0.997 105 A HN -0.003 8.147 8.150 -0.000 0.000 0.510 106 E N 0.934 121.188 120.200 0.090 0.000 2.351 106 E HA 0.162 4.511 4.350 -0.001 0.000 0.266 106 E C 0.672 177.291 176.600 0.031 0.000 1.031 106 E CA 0.129 56.559 56.400 0.050 0.000 0.911 106 E CB 0.574 30.298 29.700 0.040 0.000 0.986 106 E HN 0.108 8.468 8.360 -0.000 0.000 0.446 107 K N 3.316 123.731 120.400 0.025 0.000 2.356 107 K HA 0.096 4.416 4.320 -0.001 0.000 0.195 107 K C -0.171 176.433 176.600 0.005 0.000 1.037 107 K CA 0.403 56.700 56.287 0.015 0.000 1.014 107 K CB 0.214 32.725 32.500 0.019 0.000 0.815 107 K HN 0.360 8.610 8.250 -0.000 0.000 0.507 108 K N 1.981 122.383 120.400 0.004 0.000 2.267 108 K HA 0.172 4.492 4.320 -0.001 0.000 0.282 108 K C 0.866 177.459 176.600 -0.011 0.000 1.078 108 K CA -0.097 56.189 56.287 -0.001 0.000 0.903 108 K CB 0.969 33.471 32.500 0.002 0.000 1.111 108 K HN 0.038 8.288 8.250 -0.000 0.000 0.475 109 Q N 1.406 121.196 119.800 -0.017 0.000 2.181 109 Q HA -0.223 4.116 4.340 -0.001 0.000 0.205 109 Q C 1.266 177.247 176.000 -0.031 0.000 0.980 109 Q CA 1.849 57.634 55.803 -0.031 0.000 0.862 109 Q CB 0.051 28.773 28.738 -0.025 0.000 0.905 109 Q HN 0.666 8.936 8.270 -0.000 0.000 0.429 110 D N -0.023 120.368 120.400 -0.015 0.000 2.149 110 D HA -0.106 4.534 4.640 -0.001 0.000 0.201 110 D C 1.877 178.175 176.300 -0.004 0.000 0.972 110 D CA 0.811 54.806 54.000 -0.008 0.000 0.835 110 D CB -0.526 40.273 40.800 -0.002 0.000 0.966 110 D HN 0.099 8.469 8.370 -0.000 0.000 0.476 111 V N 0.760 120.672 119.914 -0.003 0.000 2.358 111 V HA -0.195 3.924 4.120 -0.001 0.000 0.246 111 V C 2.694 178.795 176.094 0.012 0.000 1.047 111 V CA 1.705 64.006 62.300 0.003 0.000 1.035 111 V CB -0.691 31.133 31.823 0.001 0.000 0.658 111 V HN 0.201 8.391 8.190 -0.000 0.000 0.452 112 K N 0.073 120.469 120.400 -0.005 0.000 2.057 112 K HA -0.244 4.076 4.320 -0.001 0.000 0.207 112 K C 2.260 178.840 176.600 -0.034 0.000 1.049 112 K CA 1.894 58.171 56.287 -0.016 0.000 0.931 112 K CB -0.080 32.348 32.500 -0.119 0.000 0.714 112 K HN 0.577 8.827 8.250 -0.000 0.000 0.440 113 E N 0.517 120.681 120.200 -0.059 0.000 2.051 113 E HA -0.262 4.088 4.350 -0.001 0.000 0.192 113 E C 2.153 178.788 176.600 0.058 0.000 0.991 113 E CA 1.262 57.647 56.400 -0.025 0.000 0.799 113 E CB 0.030 29.720 29.700 -0.016 0.000 0.748 113 E HN 0.337 8.697 8.360 -0.000 0.000 0.449 114 Q N -0.074 119.753 119.800 0.045 0.000 2.084 114 Q HA -0.191 4.149 4.340 -0.001 0.000 0.202 114 Q C 2.214 178.247 176.000 0.055 0.000 0.978 114 Q CA 1.684 57.517 55.803 0.049 0.000 0.844 114 Q CB -0.037 28.717 28.738 0.027 0.000 0.898 114 Q HN 0.379 8.649 8.270 -0.000 0.000 0.426 115 M N -0.541 119.090 119.600 0.051 0.000 2.132 115 M HA -0.137 4.342 4.480 -0.001 0.000 0.263 115 M C 1.902 178.168 176.300 -0.056 0.000 1.065 115 M CA 1.268 56.555 55.300 -0.021 0.000 1.122 115 M CB -0.317 32.248 32.600 -0.057 0.000 1.365 115 M HN 0.154 8.444 8.290 -0.000 0.000 0.411 116 F N 1.354 121.208 119.950 -0.160 0.000 2.095 116 F HA -0.221 4.305 4.527 -0.001 0.000 0.298 116 F C 2.361 178.153 175.800 -0.014 0.000 1.104 116 F CA 1.486 59.426 58.000 -0.100 0.000 1.232 116 F CB -0.887 38.045 39.000 -0.113 0.000 0.987 116 F HN 0.204 8.504 8.300 -0.000 0.000 0.475 117 N N 0.124 118.940 118.700 0.195 0.000 2.120 117 N HA -0.204 4.536 4.740 -0.001 0.000 0.188 117 N C 1.914 177.469 175.510 0.075 0.000 1.024 117 N CA 1.348 54.474 53.050 0.126 0.000 0.852 117 N CB -0.559 37.987 38.487 0.099 0.000 1.003 117 N HN 0.444 8.824 8.380 -0.000 0.000 0.424 118 E N 0.765 121.006 120.200 0.068 0.000 2.051 118 E HA -0.097 4.253 4.350 -0.001 0.000 0.192 118 E C 1.973 178.627 176.600 0.090 0.000 0.991 118 E CA 0.741 57.213 56.400 0.121 0.000 0.799 118 E CB -0.080 29.662 29.700 0.070 0.000 0.748 118 E HN 0.250 8.610 8.360 -0.000 0.000 0.449 119 L N 0.439 121.612 121.223 -0.083 0.000 2.131 119 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 119 L C 2.365 179.282 176.870 0.079 0.000 1.092 119 L CA 0.756 55.495 54.840 -0.169 0.000 0.759 119 L CB -0.169 41.382 42.059 -0.847 0.000 0.903 119 L HN 0.256 8.486 8.230 -0.000 0.000 0.435 120 L N -1.595 119.696 121.223 0.113 0.000 2.509 120 L HA -0.027 4.312 4.340 -0.001 0.000 0.222 120 L C 2.168 179.064 176.870 0.044 0.000 1.123 120 L CA 0.471 55.420 54.840 0.181 0.000 0.856 120 L CB -0.273 41.923 42.059 0.228 0.000 0.985 120 L HN 0.149 8.379 8.230 -0.000 0.000 0.456 121 T N -1.876 112.639 114.554 -0.066 0.000 2.983 121 T HA 0.016 4.365 4.350 -0.001 0.000 0.250 121 T C 1.294 175.685 174.700 -0.514 0.000 1.037 121 T CA 0.971 62.888 62.100 -0.306 0.000 1.142 121 T CB 0.061 68.655 68.868 -0.457 0.000 0.876 121 T HN 0.156 8.396 8.240 -0.000 0.000 0.455 122 Y N 1.383 121.597 120.300 -0.145 0.000 2.331 122 Y HA 0.229 4.778 4.550 -0.001 0.000 0.282 122 Y C 2.437 178.006 175.900 -0.553 0.000 1.140 122 Y CA 0.109 58.008 58.100 -0.335 0.000 1.198 122 Y CB -0.367 37.994 38.460 -0.164 0.000 1.159 122 Y HN 0.016 8.296 8.280 -0.000 0.000 0.512 123 N N 0.803 119.477 118.700 -0.042 0.000 2.120 123 N HA -0.168 4.572 4.740 -0.001 0.000 0.188 123 N C 1.805 177.199 175.510 -0.193 0.000 1.024 123 N CA 1.510 54.548 53.050 -0.020 0.000 0.852 123 N CB -0.681 37.947 38.487 0.236 0.000 1.003 123 N HN 0.391 8.771 8.380 -0.000 0.000 0.424 124 A N 1.332 124.129 122.820 -0.038 0.000 1.858 124 A HA -0.040 4.279 4.320 -0.001 0.000 0.216 124 A C -0.141 177.362 177.584 -0.135 0.000 1.190 124 A CA 1.351 53.319 52.037 -0.114 0.000 0.617 124 A CB -1.579 17.591 19.000 0.283 0.000 0.827 124 A HN 0.204 8.354 8.150 -0.000 0.000 0.443 125 P HA -0.155 4.265 4.420 -0.000 0.000 0.218 125 P C 0.836 178.159 177.300 0.039 0.000 1.148 125 P CA 1.588 64.683 63.100 -0.008 0.000 0.822 125 P CB -0.283 31.394 31.700 -0.039 0.000 0.784 126 H N -1.632 117.410 119.070 -0.047 0.000 2.326 126 H HA -0.080 4.476 4.556 -0.001 0.000 0.301 126 H C 1.913 177.160 175.328 -0.134 0.000 1.081 126 H CA 0.486 56.497 56.048 -0.062 0.000 1.334 126 H CB -0.508 29.230 29.762 -0.040 0.000 1.385 126 H HN 0.018 8.298 8.280 -0.000 0.000 0.504 127 L N 0.449 121.598 121.223 -0.123 0.000 2.056 127 L HA -0.167 4.173 4.340 -0.001 0.000 0.207 127 L C 1.989 178.717 176.870 -0.235 0.000 1.078 127 L CA 1.364 56.060 54.840 -0.241 0.000 0.749 127 L CB -0.357 41.400 42.059 -0.504 0.000 0.901 127 L HN 0.220 8.450 8.230 -0.000 0.000 0.433 128 M N -0.884 118.563 119.600 -0.255 0.000 2.149 128 M HA -0.236 4.243 4.480 -0.001 0.000 0.261 128 M C 2.250 178.284 176.300 -0.442 0.000 1.064 128 M CA 1.651 56.696 55.300 -0.425 0.000 1.102 128 M CB -1.358 30.913 32.600 -0.547 0.000 1.369 128 M HN 0.432 8.722 8.290 -0.000 0.000 0.408 129 Q N -0.092 119.610 119.800 -0.164 0.000 2.079 129 Q HA -0.171 4.168 4.340 -0.001 0.000 0.200 129 Q C 1.703 177.675 176.000 -0.047 0.000 0.974 129 Q CA 1.251 57.057 55.803 0.005 0.000 0.840 129 Q CB -0.121 28.674 28.738 0.096 0.000 0.898 129 Q HN 0.472 8.742 8.270 -0.000 0.000 0.430 130 D N 0.778 121.132 120.400 -0.077 0.000 2.104 130 D HA -0.139 4.500 4.640 -0.001 0.000 0.194 130 D C 1.904 178.154 176.300 -0.084 0.000 0.994 130 D CA 1.019 54.976 54.000 -0.073 0.000 0.830 130 D CB -0.155 40.589 40.800 -0.093 0.000 0.959 130 D HN 0.181 8.550 8.370 -0.000 0.000 0.452 131 L N 0.506 121.623 121.223 -0.177 0.000 2.093 131 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 131 L C 2.179 178.946 176.870 -0.171 0.000 1.085 131 L CA 0.921 55.628 54.840 -0.222 0.000 0.755 131 L CB -0.232 41.557 42.059 -0.449 0.000 0.904 131 L HN -0.030 8.200 8.230 -0.000 0.000 0.435 132 D N -0.134 120.155 120.400 -0.184 0.000 2.097 132 D HA -0.181 4.458 4.640 -0.001 0.000 0.195 132 D C 2.157 178.432 176.300 -0.041 0.000 0.989 132 D CA 2.048 55.988 54.000 -0.100 0.000 0.827 132 D CB 0.079 40.883 40.800 0.007 0.000 0.966 132 D HN 0.339 8.709 8.370 -0.000 0.000 0.456 133 T N -2.125 112.419 114.554 -0.016 0.000 2.915 133 T HA -0.182 4.167 4.350 -0.001 0.000 0.269 133 T C 2.115 176.809 174.700 -0.011 0.000 1.071 133 T CA 0.922 63.016 62.100 -0.010 0.000 1.132 133 T CB -0.811 68.058 68.868 0.000 0.000 0.878 133 T HN 0.209 8.449 8.240 -0.000 0.000 0.479 134 Y N 1.433 121.666 120.300 -0.111 0.000 2.220 134 Y HA 0.153 4.702 4.550 -0.001 0.000 0.291 134 Y C 2.139 177.967 175.900 -0.121 0.000 1.129 134 Y CA 0.896 58.925 58.100 -0.118 0.000 1.161 134 Y CB -0.422 37.958 38.460 -0.132 0.000 0.997 134 Y HN 0.216 8.496 8.280 -0.000 0.000 0.522 135 L N 0.222 121.406 121.223 -0.065 0.000 2.056 135 L HA 0.139 4.479 4.340 -0.001 0.000 0.207 135 L C 1.617 178.391 176.870 -0.159 0.000 1.078 135 L CA 1.672 56.434 54.840 -0.130 0.000 0.749 135 L CB -1.149 40.848 42.059 -0.105 0.000 0.901 135 L HN 0.517 8.747 8.230 -0.000 0.000 0.433 136 G N -1.068 107.659 108.800 -0.122 0.000 2.564 136 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.273 136 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.273 136 G C 0.675 175.523 174.900 -0.087 0.000 1.242 136 G CA -0.031 45.007 45.100 -0.103 0.000 0.951 136 G HN 0.938 9.228 8.290 -0.000 0.000 0.564 137 G N 0.072 108.823 108.800 -0.082 0.000 3.448 137 G HA2 0.463 4.422 3.960 -0.001 0.000 0.261 137 G HA3 0.463 4.422 3.960 -0.001 0.000 0.261 137 G C 0.739 175.587 174.900 -0.087 0.000 1.173 137 G CA 0.428 45.483 45.100 -0.074 0.000 0.835 137 G HN 0.651 8.941 8.290 -0.000 0.000 0.534 138 R N -0.077 120.362 120.500 -0.101 0.000 2.560 138 R HA 0.266 4.605 4.340 -0.001 0.000 0.270 138 R C 0.789 177.005 176.300 -0.139 0.000 1.074 138 R CA -0.376 55.663 56.100 -0.101 0.000 1.140 138 R CB 1.236 31.477 30.300 -0.098 0.000 1.073 138 R HN 0.195 8.465 8.270 -0.000 0.000 0.527 139 E N 0.879 120.977 120.200 -0.170 0.000 2.031 139 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 139 E C -0.241 176.011 176.600 -0.579 0.000 0.994 139 E CA 1.427 57.580 56.400 -0.413 0.000 0.800 139 E CB 0.166 29.605 29.700 -0.435 0.000 0.752 139 E HN 0.374 8.734 8.360 -0.000 0.000 0.447 140 W N -1.084 120.212 121.300 -0.007 0.000 2.902 140 W HA 0.343 5.003 4.660 0.001 0.000 0.346 140 W C 0.838 177.340 176.519 -0.028 0.000 1.139 140 W CA -0.844 56.501 57.345 0.000 0.000 1.139 140 W CB 0.441 29.903 29.460 0.003 0.000 1.439 140 W HN -0.183 7.997 8.180 -0.000 0.000 0.558 141 L N 1.040 122.418 121.223 0.258 0.000 2.042 141 L HA -0.076 4.264 4.340 -0.001 0.000 0.210 141 L C 0.254 177.196 176.870 0.120 0.000 1.076 141 L CA 1.430 56.362 54.840 0.155 0.000 0.749 141 L CB -0.410 41.743 42.059 0.157 0.000 0.893 141 L HN 0.259 8.489 8.230 -0.000 0.000 0.432 142 I N -1.169 119.470 120.570 0.114 0.000 2.498 142 I HA 0.533 4.703 4.170 -0.001 0.000 0.290 142 I C 0.662 176.814 176.117 0.058 0.000 1.032 142 I CA -0.090 61.248 61.300 0.064 0.000 1.073 142 I CB 1.394 39.434 38.000 0.066 0.000 1.251 142 I HN 0.170 8.380 8.210 -0.000 0.000 0.426 143 G N 5.144 113.966 108.800 0.036 0.000 2.552 143 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.265 143 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.265 143 G C 0.246 175.205 174.900 0.099 0.000 1.234 143 G CA 0.431 45.558 45.100 0.045 0.000 0.944 143 G HN 0.889 9.179 8.290 -0.000 0.000 0.568 144 N N -0.040 118.725 118.700 0.108 0.000 2.238 144 N HA 0.343 5.082 4.740 -0.001 0.000 0.235 144 N C 0.233 175.901 175.510 0.263 0.000 1.209 144 N CA 0.524 53.696 53.050 0.203 0.000 0.879 144 N CB 1.001 39.563 38.487 0.124 0.000 1.136 144 N HN 1.087 9.467 8.380 -0.000 0.000 0.517 145 S N -0.789 114.925 115.700 0.023 0.000 2.588 145 S HA 0.347 4.817 4.470 -0.001 0.000 0.275 145 S C -0.428 173.618 174.600 -0.923 0.000 1.130 145 S CA -0.760 57.220 58.200 -0.367 0.000 0.855 145 S CB 2.303 65.396 63.200 -0.179 0.000 1.116 145 S HN -0.056 8.254 8.310 -0.000 0.000 0.472 146 V N 2.563 121.556 119.914 -1.534 0.000 2.763 146 V HA 0.493 4.612 4.120 -0.001 0.000 0.306 146 V C 0.435 176.059 176.094 -0.783 0.000 1.059 146 V CA 1.300 62.725 62.300 -1.459 0.000 1.138 146 V CB 0.653 31.580 31.823 -1.493 0.000 0.940 146 V HN 1.334 9.524 8.190 -0.000 0.000 0.489 147 T N 4.137 118.326 114.554 -0.607 0.000 2.864 147 T HA 0.392 4.742 4.350 -0.001 0.000 0.289 147 T C 0.656 175.009 174.700 -0.579 0.000 1.082 147 T CA -0.176 61.639 62.100 -0.475 0.000 1.009 147 T CB 1.362 70.071 68.868 -0.266 0.000 1.234 147 T HN 0.874 9.114 8.240 -0.000 0.000 0.526 148 W N 0.211 121.164 121.300 -0.578 0.000 2.699 148 W HA 0.287 4.948 4.660 0.001 0.000 0.249 148 W C 1.426 177.887 176.519 -0.098 0.000 1.280 148 W CA 0.401 57.471 57.345 -0.458 0.000 1.345 148 W CB -1.663 27.619 29.460 -0.296 0.000 1.128 148 W HN 0.806 8.986 8.180 -0.000 0.000 0.642 149 A N 1.853 124.378 122.820 -0.492 0.000 1.898 149 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 149 A C 1.858 179.490 177.584 0.080 0.000 1.181 149 A CA 1.916 53.778 52.037 -0.292 0.000 0.620 149 A CB -0.815 18.009 19.000 -0.293 0.000 0.819 149 A HN 0.163 8.313 8.150 -0.000 0.000 0.442 150 D N -0.700 119.770 120.400 0.118 0.000 2.144 150 D HA -0.113 4.527 4.640 -0.001 0.000 0.200 150 D C 1.624 178.246 176.300 0.536 0.000 0.978 150 D CA 0.968 55.186 54.000 0.363 0.000 0.833 150 D CB -0.346 40.694 40.800 0.401 0.000 0.961 150 D HN 0.381 8.751 8.370 -0.000 0.000 0.470 151 F N 0.598 120.689 119.950 0.236 0.000 2.102 151 F HA -0.186 4.339 4.527 -0.002 0.000 0.298 151 F C 2.391 178.305 175.800 0.190 0.000 1.105 151 F CA 0.399 58.558 58.000 0.266 0.000 1.239 151 F CB -1.276 37.890 39.000 0.277 0.000 0.991 151 F HN -0.000 8.300 8.300 -0.000 0.000 0.474 152 Y N -0.518 119.934 120.300 0.253 0.000 2.293 152 Y HA -0.245 4.305 4.550 -0.001 0.000 0.291 152 Y C 2.484 178.466 175.900 0.136 0.000 1.137 152 Y CA 1.228 59.397 58.100 0.115 0.000 1.202 152 Y CB -0.757 37.737 38.460 0.056 0.000 0.990 152 Y HN 0.266 8.546 8.280 -0.000 0.000 0.537 153 W N 1.030 122.392 121.300 0.103 0.000 2.355 153 W HA -0.213 4.446 4.660 -0.001 0.000 0.309 153 W C 2.043 178.581 176.519 0.032 0.000 1.206 153 W CA 1.955 59.322 57.345 0.037 0.000 1.284 153 W CB -0.321 29.190 29.460 0.085 0.000 1.145 153 W HN 0.108 8.288 8.180 -0.000 0.000 0.502 154 E N 1.232 121.320 120.200 -0.188 0.000 2.077 154 E HA -0.234 4.115 4.350 -0.001 0.000 0.193 154 E C 2.139 178.569 176.600 -0.283 0.000 0.989 154 E CA 1.866 58.106 56.400 -0.267 0.000 0.800 154 E CB -0.718 29.048 29.700 0.110 0.000 0.746 154 E HN 0.435 8.795 8.360 -0.000 0.000 0.452 155 I N 0.215 120.640 120.570 -0.240 0.000 2.142 155 I HA -0.347 3.822 4.170 -0.001 0.000 0.240 155 I C 2.773 178.686 176.117 -0.339 0.000 1.078 155 I CA 1.077 62.199 61.300 -0.297 0.000 1.343 155 I CB -0.326 37.457 38.000 -0.362 0.000 1.046 155 I HN 0.204 8.414 8.210 -0.000 0.000 0.405 156 C N 0.462 119.493 119.300 -0.448 0.000 2.429 156 C HA -0.144 4.316 4.460 -0.001 0.000 0.277 156 C C 3.321 178.105 174.990 -0.343 0.000 1.262 156 C CA 1.374 60.155 59.018 -0.395 0.000 1.733 156 C CB -1.150 26.362 27.740 -0.380 0.000 2.010 156 C HN 0.656 8.886 8.230 -0.000 0.000 0.483 157 S N 0.277 115.617 115.700 -0.600 0.000 2.382 157 S HA -0.184 4.286 4.470 -0.001 0.000 0.228 157 S C 1.592 176.002 174.600 -0.316 0.000 1.027 157 S CA 2.133 59.958 58.200 -0.625 0.000 0.991 157 S CB -1.084 61.309 63.200 -1.346 0.000 0.823 157 S HN 0.597 8.907 8.310 -0.000 0.000 0.469 158 T N 2.178 116.565 114.554 -0.279 0.000 2.720 158 T HA -0.100 4.249 4.350 -0.001 0.000 0.268 158 T C 1.926 176.576 174.700 -0.084 0.000 1.037 158 T CA 2.080 64.093 62.100 -0.145 0.000 1.144 158 T CB -0.948 67.857 68.868 -0.105 0.000 0.864 158 T HN 0.604 8.844 8.240 -0.000 0.000 0.444 159 T N 2.029 116.537 114.554 -0.077 0.000 2.857 159 T HA 0.128 4.477 4.350 -0.001 0.000 0.266 159 T C 1.970 176.782 174.700 0.186 0.000 1.048 159 T CA 0.671 62.794 62.100 0.037 0.000 1.139 159 T CB -0.300 68.564 68.868 -0.005 0.000 0.874 159 T HN 0.266 8.505 8.240 -0.000 0.000 0.455 160 L N 0.557 121.834 121.223 0.090 0.000 2.083 160 L HA 0.002 4.342 4.340 -0.001 0.000 0.209 160 L C 2.337 179.315 176.870 0.180 0.000 1.083 160 L CA 1.017 55.948 54.840 0.152 0.000 0.752 160 L CB -0.626 41.476 42.059 0.072 0.000 0.899 160 L HN 0.246 8.476 8.230 -0.000 0.000 0.433 161 L N -0.850 120.411 121.223 0.062 0.000 2.265 161 L HA -0.166 4.173 4.340 -0.001 0.000 0.215 161 L C 2.401 179.267 176.870 -0.007 0.000 1.117 161 L CA 0.419 55.279 54.840 0.034 0.000 0.782 161 L CB -0.386 41.667 42.059 -0.009 0.000 0.914 161 L HN 0.084 8.314 8.230 -0.000 0.000 0.441 162 V N -0.878 118.996 119.914 -0.066 0.000 2.515 162 V HA -0.246 3.874 4.120 -0.001 0.000 0.250 162 V C 1.837 177.689 176.094 -0.402 0.000 1.058 162 V CA 1.837 63.962 62.300 -0.291 0.000 1.064 162 V CB -0.452 31.090 31.823 -0.467 0.000 0.675 162 V HN 0.325 8.515 8.190 -0.000 0.000 0.461 163 F N -0.612 119.384 119.950 0.078 0.000 2.678 163 F HA 0.325 4.851 4.527 -0.001 0.000 0.291 163 F C 1.227 177.090 175.800 0.104 0.000 1.123 163 F CA 0.127 58.191 58.000 0.108 0.000 1.395 163 F CB 0.357 39.493 39.000 0.227 0.000 1.121 163 F HN -0.053 8.247 8.300 -0.000 0.000 0.592 164 K N 0.506 121.054 120.400 0.247 0.000 2.827 164 K HA 0.358 4.677 4.320 -0.001 0.000 0.186 164 K C -2.438 174.229 176.600 0.112 0.000 1.093 164 K CA -2.005 54.386 56.287 0.173 0.000 0.993 164 K CB 0.725 33.343 32.500 0.197 0.000 1.199 164 K HN -0.240 8.010 8.250 -0.000 0.000 0.598 165 P HA -0.153 4.267 4.420 -0.000 0.000 0.220 165 P C 0.008 177.340 177.300 0.053 0.000 1.144 165 P CA 1.170 64.295 63.100 0.042 0.000 0.800 165 P CB 0.207 31.918 31.700 0.018 0.000 0.772 166 D N -1.809 118.629 120.400 0.064 0.000 2.363 166 D HA -0.011 4.628 4.640 -0.001 0.000 0.214 166 D C 1.544 177.899 176.300 0.092 0.000 1.093 166 D CA -0.269 53.770 54.000 0.065 0.000 0.837 166 D CB -0.997 39.831 40.800 0.047 0.000 0.948 166 D HN -0.006 8.364 8.370 -0.000 0.000 0.507 167 L N 0.120 121.412 121.223 0.115 0.000 2.089 167 L HA -0.103 4.236 4.340 -0.001 0.000 0.213 167 L C 1.440 178.435 176.870 0.208 0.000 1.079 167 L CA 1.787 56.720 54.840 0.155 0.000 0.758 167 L CB -0.224 41.936 42.059 0.168 0.000 0.891 167 L HN 0.182 8.412 8.230 -0.000 0.000 0.433 168 L N -1.150 120.189 121.223 0.195 0.000 2.769 168 L HA 0.134 4.474 4.340 -0.001 0.000 0.240 168 L C 1.189 178.163 176.870 0.173 0.000 1.163 168 L CA -0.313 54.680 54.840 0.254 0.000 0.962 168 L CB -0.307 41.903 42.059 0.252 0.000 1.258 168 L HN 0.066 8.296 8.230 -0.000 0.000 0.513 169 D N 0.835 121.299 120.400 0.107 0.000 2.263 169 D HA -0.127 4.512 4.640 -0.001 0.000 0.208 169 D C 1.336 177.634 176.300 -0.003 0.000 0.971 169 D CA 1.100 55.129 54.000 0.049 0.000 0.867 169 D CB 0.091 40.911 40.800 0.033 0.000 0.929 169 D HN 0.291 8.661 8.370 -0.000 0.000 0.492 170 N N -0.108 118.553 118.700 -0.064 0.000 2.230 170 N HA -0.020 4.719 4.740 -0.001 0.000 0.202 170 N C -0.169 175.073 175.510 -0.446 0.000 1.119 170 N CA 0.119 53.024 53.050 -0.242 0.000 0.851 170 N CB 0.445 38.749 38.487 -0.305 0.000 0.990 170 N HN 0.327 8.707 8.380 -0.000 0.000 0.497 171 H N 0.370 119.466 119.070 0.043 0.000 2.336 171 H HA 0.213 4.768 4.556 -0.001 0.000 0.230 171 H C -1.539 173.819 175.328 0.050 0.000 1.426 171 H CA -1.279 54.794 56.048 0.041 0.000 1.359 171 H CB 1.368 31.163 29.762 0.055 0.000 1.555 171 H HN 0.050 8.330 8.280 -0.000 0.000 0.512 172 P HA -0.160 4.260 4.420 -0.000 0.000 0.219 172 P C 1.427 178.770 177.300 0.073 0.000 1.146 172 P CA 0.987 64.130 63.100 0.071 0.000 0.808 172 P CB 0.374 32.091 31.700 0.029 0.000 0.779 173 R N -0.551 119.988 120.500 0.065 0.000 2.115 173 R HA 0.037 4.377 4.340 -0.001 0.000 0.230 173 R C 2.517 178.846 176.300 0.048 0.000 1.111 173 R CA 0.886 57.004 56.100 0.031 0.000 0.976 173 R CB -0.670 29.631 30.300 0.001 0.000 0.870 173 R HN 0.282 8.552 8.270 -0.000 0.000 0.445 174 L N 0.006 121.289 121.223 0.100 0.000 2.179 174 L HA -0.065 4.275 4.340 -0.001 0.000 0.208 174 L C 2.265 179.352 176.870 0.361 0.000 1.096 174 L CA 0.494 55.435 54.840 0.167 0.000 0.779 174 L CB -0.241 41.900 42.059 0.138 0.000 0.922 174 L HN -0.019 8.211 8.230 -0.000 0.000 0.443 175 V N -0.410 119.653 119.914 0.249 0.000 2.307 175 V HA -0.265 3.855 4.120 -0.001 0.000 0.245 175 V C 2.577 178.762 176.094 0.151 0.000 1.045 175 V CA 2.332 64.749 62.300 0.196 0.000 1.024 175 V CB -0.710 31.192 31.823 0.132 0.000 0.651 175 V HN 0.434 8.624 8.190 -0.000 0.000 0.449 176 T N 0.584 115.199 114.554 0.102 0.000 2.720 176 T HA -0.227 4.123 4.350 -0.001 0.000 0.268 176 T C 1.898 176.631 174.700 0.055 0.000 1.037 176 T CA 1.973 64.102 62.100 0.049 0.000 1.144 176 T CB -0.392 68.476 68.868 0.001 0.000 0.864 176 T HN 0.278 8.518 8.240 -0.000 0.000 0.444 177 L N 1.163 122.446 121.223 0.100 0.000 2.046 177 L HA -0.024 4.316 4.340 -0.001 0.000 0.208 177 L C 2.440 179.481 176.870 0.286 0.000 1.077 177 L CA 1.688 56.618 54.840 0.150 0.000 0.747 177 L CB -0.491 41.678 42.059 0.184 0.000 0.896 177 L HN 0.095 8.325 8.230 -0.000 0.000 0.432 178 R N -0.494 120.203 120.500 0.328 0.000 2.091 178 R HA -0.176 4.164 4.340 -0.001 0.000 0.238 178 R C 2.269 178.671 176.300 0.171 0.000 1.136 178 R CA 1.866 58.103 56.100 0.230 0.000 0.959 178 R CB -0.291 30.090 30.300 0.135 0.000 0.856 178 R HN 0.392 8.662 8.270 -0.000 0.000 0.437 179 K N 0.574 121.053 120.400 0.131 0.000 2.057 179 K HA -0.132 4.187 4.320 -0.001 0.000 0.207 179 K C 2.017 178.686 176.600 0.114 0.000 1.049 179 K CA 1.306 57.651 56.287 0.097 0.000 0.931 179 K CB -0.010 32.528 32.500 0.063 0.000 0.714 179 K HN 0.144 8.394 8.250 -0.000 0.000 0.440 180 K N 0.580 121.041 120.400 0.103 0.000 2.057 180 K HA -0.096 4.223 4.320 -0.001 0.000 0.207 180 K C 2.129 178.936 176.600 0.346 0.000 1.049 180 K CA 1.154 57.510 56.287 0.115 0.000 0.931 180 K CB -0.143 32.235 32.500 -0.203 0.000 0.714 180 K HN -0.053 8.197 8.250 -0.000 0.000 0.440 181 V N 1.921 122.080 119.914 0.408 0.000 2.307 181 V HA -0.254 3.866 4.120 -0.001 0.000 0.245 181 V C 2.228 178.477 176.094 0.259 0.000 1.045 181 V CA 1.702 64.279 62.300 0.462 0.000 1.024 181 V CB -0.480 31.637 31.823 0.489 0.000 0.651 181 V HN 0.347 8.537 8.190 -0.000 0.000 0.449 182 Q N -0.219 119.690 119.800 0.183 0.000 2.170 182 Q HA -0.129 4.210 4.340 -0.001 0.000 0.203 182 Q C 2.173 178.225 176.000 0.086 0.000 0.976 182 Q CA 1.616 57.476 55.803 0.096 0.000 0.858 182 Q CB -0.328 28.457 28.738 0.079 0.000 0.907 182 Q HN 0.677 8.947 8.270 -0.000 0.000 0.433 183 A N 0.434 123.331 122.820 0.129 0.000 2.208 183 A HA 0.080 4.399 4.320 -0.001 0.000 0.209 183 A C 0.860 178.533 177.584 0.148 0.000 1.161 183 A CA -0.153 51.956 52.037 0.119 0.000 0.782 183 A CB -0.125 18.944 19.000 0.114 0.000 0.816 183 A HN 0.209 8.359 8.150 -0.000 0.000 0.477 184 I N 0.849 121.539 120.570 0.200 0.000 2.668 184 I HA 0.007 4.176 4.170 -0.001 0.000 0.285 184 I C -1.415 174.789 176.117 0.146 0.000 1.168 184 I CA -1.260 60.179 61.300 0.231 0.000 1.424 184 I CB 0.963 39.165 38.000 0.337 0.000 1.377 184 I HN 0.082 8.292 8.210 -0.000 0.000 0.560 185 P HA -0.252 4.168 4.420 -0.000 0.000 0.216 185 P C 1.329 178.666 177.300 0.062 0.000 1.153 185 P CA 1.540 64.685 63.100 0.074 0.000 0.858 185 P CB 0.214 31.948 31.700 0.057 0.000 0.789 186 A N -1.021 121.840 122.820 0.068 0.000 1.969 186 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 186 A C 2.254 179.871 177.584 0.055 0.000 1.169 186 A CA 1.590 53.663 52.037 0.060 0.000 0.635 186 A CB -1.526 17.499 19.000 0.041 0.000 0.810 186 A HN 0.052 8.202 8.150 -0.000 0.000 0.445 187 V N -0.407 119.517 119.914 0.016 0.000 2.407 187 V HA -0.135 3.984 4.120 -0.001 0.000 0.245 187 V C 3.013 179.069 176.094 -0.064 0.000 1.041 187 V CA 1.590 63.809 62.300 -0.135 0.000 1.040 187 V CB -1.156 30.520 31.823 -0.246 0.000 0.671 187 V HN 0.571 8.761 8.190 -0.000 0.000 0.455 188 A N 0.443 123.260 122.820 -0.005 0.000 1.908 188 A HA -0.289 4.030 4.320 -0.001 0.000 0.218 188 A C 2.204 179.787 177.584 -0.001 0.000 1.181 188 A CA 2.182 54.219 52.037 -0.000 0.000 0.627 188 A CB -0.848 18.166 19.000 0.025 0.000 0.818 188 A HN 0.613 8.763 8.150 -0.000 0.000 0.445 189 N N -1.081 117.639 118.700 0.033 0.000 2.058 189 N HA -0.208 4.531 4.740 -0.001 0.000 0.191 189 N C 1.894 177.444 175.510 0.066 0.000 1.037 189 N CA 1.812 54.891 53.050 0.049 0.000 0.848 189 N CB -0.392 38.142 38.487 0.078 0.000 1.021 189 N HN 0.802 9.182 8.380 -0.000 0.000 0.422 190 W N 1.888 123.142 121.300 -0.078 0.000 2.333 190 W HA -0.172 4.489 4.660 0.000 0.000 0.316 190 W C 1.989 178.468 176.519 -0.068 0.000 1.215 190 W CA 0.809 58.108 57.345 -0.076 0.000 1.278 190 W CB -0.498 28.881 29.460 -0.136 0.000 1.154 190 W HN 0.058 8.238 8.180 -0.000 0.000 0.486 191 I N 1.077 121.465 120.570 -0.304 0.000 2.248 191 I HA -0.380 3.789 4.170 -0.001 0.000 0.248 191 I C 2.606 178.545 176.117 -0.297 0.000 1.107 191 I CA 1.898 63.002 61.300 -0.326 0.000 1.373 191 I CB -0.569 37.348 38.000 -0.138 0.000 1.055 191 I HN 0.008 8.218 8.210 -0.000 0.000 0.418 192 K N 1.380 121.653 120.400 -0.212 0.000 2.116 192 K HA -0.132 4.187 4.320 -0.001 0.000 0.203 192 K C 2.172 178.654 176.600 -0.197 0.000 1.052 192 K CA 1.001 57.193 56.287 -0.159 0.000 0.952 192 K CB 0.084 32.531 32.500 -0.088 0.000 0.729 192 K HN 0.360 8.610 8.250 -0.000 0.000 0.446 193 R N 1.077 121.423 120.500 -0.257 0.000 2.312 193 R HA 0.065 4.404 4.340 -0.001 0.000 0.205 193 R C 0.192 176.248 176.300 -0.407 0.000 0.904 193 R CA -0.339 55.615 56.100 -0.244 0.000 1.052 193 R CB -0.242 29.986 30.300 -0.119 0.000 1.014 193 R HN 0.027 8.297 8.270 -0.000 0.000 0.503 194 R N 2.003 122.049 120.500 -0.757 0.000 2.643 194 R HA 0.265 4.604 4.340 -0.001 0.000 0.270 194 R C -2.297 173.786 176.300 -0.363 0.000 1.061 194 R CA -1.591 53.992 56.100 -0.861 0.000 1.107 194 R CB -0.447 29.102 30.300 -1.252 0.000 0.999 194 R HN -0.132 8.138 8.270 -0.000 0.000 0.460 195 P HA -0.096 4.324 4.420 -0.000 0.000 0.265 195 P C -0.939 176.305 177.300 -0.093 0.000 1.193 195 P CA 0.048 63.089 63.100 -0.098 0.000 0.765 195 P CB 0.551 32.236 31.700 -0.025 0.000 0.823 196 Q N 2.795 122.547 119.800 -0.080 0.000 2.307 196 Q HA 0.228 4.567 4.340 -0.001 0.000 0.259 196 Q C -0.521 175.452 176.000 -0.045 0.000 0.998 196 Q CA 0.293 56.055 55.803 -0.069 0.000 0.923 196 Q CB 0.210 28.907 28.738 -0.067 0.000 1.196 196 Q HN 0.610 8.880 8.270 -0.000 0.000 0.416 197 T N 0.241 114.774 114.554 -0.036 0.000 2.896 197 T HA 0.358 4.708 4.350 -0.001 0.000 0.297 197 T C 0.722 175.401 174.700 -0.034 0.000 1.108 197 T CA -0.899 61.186 62.100 -0.025 0.000 1.004 197 T CB 1.689 70.556 68.868 -0.002 0.000 1.159 197 T HN 0.564 8.804 8.240 -0.000 0.000 0.499 198 K N 0.262 120.639 120.400 -0.037 0.000 2.057 198 K HA 0.122 4.441 4.320 -0.001 0.000 0.206 198 K C 0.392 176.971 176.600 -0.036 0.000 1.050 198 K CA 0.935 57.189 56.287 -0.054 0.000 0.935 198 K CB -0.096 32.370 32.500 -0.057 0.000 0.715 198 K HN 0.595 8.845 8.250 -0.000 0.000 0.439 199 L N 0.000 121.220 121.223 -0.004 0.000 2.949 199 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 199 L CA 0.000 54.843 54.840 0.005 0.000 0.813 199 L CB 0.000 42.076 42.059 0.028 0.000 0.961 199 L HN 0.000 8.230 8.230 -0.000 0.000 0.502