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 2gov_1_A DATA FIRST_RESID 7 DATA SEQUENCE NSLFGSVETW PWQVLSTGGK EDVSYEERAC EGGKFATVEV TDKPVDEALR DATA SEQUENCE EAMPKIMKYV GGTNDKGVGM GMTVPVSFAV FPNEDGSLQK KLKVWFRIPN DATA SEQUENCE QFQGSPPAPS DESVKIEERE GITVYSTQFG GYAKEADYVA HATQLRTTLE DATA SEQUENCE GTPATYQGDV YYCAGYDPPM KPYGRRNEVW LVKA 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 7 N HA 0.000 4.726 4.740 -0.023 0.000 0.220 7 N C 0.000 175.486 175.510 -0.040 0.000 1.280 7 N CA 0.000 53.040 53.050 -0.017 0.000 0.885 7 N CB 0.000 38.489 38.487 0.003 0.000 1.341 8 S N 1.457 117.145 115.700 -0.020 0.000 2.489 8 S HA 0.337 4.704 4.470 -0.172 0.000 0.291 8 S C -1.011 173.491 174.600 -0.163 0.000 1.151 8 S CA -0.421 57.725 58.200 -0.089 0.000 1.082 8 S CB 0.742 64.011 63.200 0.116 0.000 1.019 8 S HN -0.111 8.212 8.310 0.022 0.000 0.492 9 L N -0.022 120.946 121.223 -0.426 0.000 2.319 9 L HA 0.495 4.752 4.340 -0.137 0.000 0.281 9 L C -0.950 175.574 176.870 -0.576 0.000 1.005 9 L CA 0.065 54.706 54.840 -0.331 0.000 0.828 9 L CB 0.429 42.364 42.059 -0.208 0.000 1.227 9 L HN 0.118 8.001 8.230 -0.578 0.000 0.415 10 F N 3.773 123.702 119.950 -0.034 0.000 2.664 10 F HA 0.583 5.083 4.527 -0.045 0.000 0.329 10 F C 0.456 176.231 175.800 -0.042 0.000 1.090 10 F CA -0.816 57.158 58.000 -0.042 0.000 0.978 10 F CB 1.859 40.831 39.000 -0.046 0.000 1.378 10 F HN 0.214 8.572 8.300 0.097 0.000 0.495 11 G N -0.892 108.011 108.800 0.171 0.000 2.788 11 G HA2 0.252 4.247 3.960 0.060 0.000 0.293 11 G HA3 0.252 4.233 3.960 0.036 0.000 0.293 11 G C -1.321 173.599 174.900 0.033 0.000 1.392 11 G CA -0.659 44.481 45.100 0.067 0.000 0.810 11 G HN 0.474 8.897 8.290 0.222 0.000 0.508 12 S N -1.156 114.546 115.700 0.004 0.000 2.470 12 S HA -0.063 4.390 4.470 -0.029 0.000 0.222 12 S C 0.257 174.836 174.600 -0.034 0.000 1.024 12 S CA 0.803 58.992 58.200 -0.019 0.000 0.931 12 S CB 0.377 63.568 63.200 -0.015 0.000 0.791 12 S HN -0.085 8.228 8.310 0.005 0.000 0.513 13 V N 3.875 123.772 119.914 -0.028 0.000 2.322 13 V HA 0.084 4.173 4.120 -0.051 0.000 0.258 13 V C -1.450 174.607 176.094 -0.063 0.000 1.074 13 V CA -0.019 62.255 62.300 -0.043 0.000 0.909 13 V CB -0.390 31.416 31.823 -0.028 0.000 1.090 13 V HN -0.522 7.658 8.190 -0.016 0.000 0.486 14 E N 7.455 127.595 120.200 -0.099 0.000 2.506 14 E HA 0.183 4.449 4.350 -0.138 0.000 0.308 14 E C -1.952 174.512 176.600 -0.226 0.000 0.931 14 E CA 0.279 56.599 56.400 -0.133 0.000 0.800 14 E CB 1.994 31.648 29.700 -0.077 0.000 1.292 14 E HN -0.042 8.252 8.360 -0.111 0.000 0.401 15 T N 2.612 116.977 114.554 -0.314 0.000 3.507 15 T HA 0.182 4.189 4.350 -0.572 0.000 0.280 15 T C -1.747 172.485 174.700 -0.781 0.000 0.976 15 T CA 0.461 62.202 62.100 -0.599 0.000 1.096 15 T CB 1.245 69.718 68.868 -0.657 0.000 1.168 15 T HN 0.200 8.279 8.240 -0.268 0.000 0.463 16 W N 1.281 122.452 121.300 -0.215 0.000 2.604 16 W HA 0.492 5.117 4.660 -0.057 0.000 0.302 16 W C -2.330 173.898 176.519 -0.485 0.000 1.013 16 W CA -3.394 53.818 57.345 -0.221 0.000 1.338 16 W CB 0.578 30.011 29.460 -0.046 0.000 1.233 16 W HN -0.313 7.712 8.180 -0.259 0.000 0.390 17 P HA 0.149 4.386 4.420 -0.305 0.000 0.276 17 P C -1.799 175.525 177.300 0.040 0.000 1.264 17 P CA -0.210 62.804 63.100 -0.144 0.000 0.769 17 P CB -0.000 31.669 31.700 -0.052 0.000 0.840 18 W N 1.709 123.043 121.300 0.057 0.000 3.040 18 W HA 0.305 4.969 4.660 0.008 0.000 0.344 18 W C -2.304 174.203 176.519 -0.020 0.000 1.201 18 W CA -2.322 55.026 57.345 0.006 0.000 1.119 18 W CB 0.608 30.047 29.460 -0.036 0.000 1.478 18 W HN -0.290 7.684 8.180 -0.343 0.000 0.586 19 Q N 1.960 121.954 119.800 0.323 0.000 2.400 19 Q HA 0.249 4.697 4.340 0.180 0.000 0.255 19 Q C -1.499 174.589 176.000 0.148 0.000 1.008 19 Q CA -1.121 54.793 55.803 0.186 0.000 0.841 19 Q CB 2.021 30.802 28.738 0.072 0.000 1.220 19 Q HN 0.079 8.502 8.270 0.254 0.000 0.474 20 V N 7.348 127.386 119.914 0.207 0.000 2.465 20 V HA 0.070 4.311 4.120 -0.027 -0.137 0.279 20 V C -0.812 175.311 176.094 0.048 0.000 1.045 20 V CA -0.411 61.945 62.300 0.094 0.000 0.938 20 V CB 0.833 32.763 31.823 0.179 0.000 0.986 20 V HN 0.504 8.850 8.190 0.259 0.000 0.467 21 L N 7.839 129.064 121.223 0.004 0.000 2.168 21 L HA 0.063 4.413 4.340 0.017 0.000 0.203 21 L C 0.201 177.095 176.870 0.039 0.000 1.078 21 L CA 1.755 56.602 54.840 0.012 0.000 0.780 21 L CB 0.410 42.462 42.059 -0.013 0.000 0.939 21 L HN 1.143 9.351 8.230 -0.036 0.000 0.451 22 S N -6.088 109.645 115.700 0.055 0.000 2.627 22 S HA 0.251 4.763 4.470 0.069 0.000 0.268 22 S C -2.089 172.579 174.600 0.114 0.000 1.130 22 S CA -0.360 57.889 58.200 0.082 0.000 0.819 22 S CB 2.251 65.508 63.200 0.094 0.000 1.100 22 S HN -0.759 7.622 8.310 0.043 -0.045 0.465 23 T N -3.149 111.470 114.554 0.108 0.000 2.887 23 T HA 0.643 5.240 4.350 0.186 -0.135 0.292 23 T C -0.540 174.183 174.700 0.038 0.000 1.087 23 T CA -2.684 59.480 62.100 0.106 0.000 1.009 23 T CB 3.332 72.236 68.868 0.060 0.000 1.203 23 T HN 0.014 8.304 8.240 0.083 0.000 0.518 24 G N -0.229 108.498 108.800 -0.123 0.000 2.246 24 G HA2 -0.134 3.722 3.960 -0.173 0.000 0.196 24 G HA3 -0.134 3.755 3.960 -0.118 0.000 0.196 24 G C -2.625 171.889 174.900 -0.645 0.000 2.264 24 G CA 0.466 45.423 45.100 -0.238 0.000 1.089 24 G HN 0.095 8.293 8.290 -0.154 0.000 0.599 25 G N -0.181 108.256 108.800 -0.604 0.000 3.356 25 G HA2 0.489 3.903 3.960 -0.911 0.000 0.178 25 G HA3 0.489 4.021 3.960 -0.713 0.000 0.178 25 G C -1.506 173.229 174.900 -0.275 0.000 1.175 25 G CA -0.582 44.110 45.100 -0.681 0.000 0.840 25 G HN -0.291 7.782 8.290 -0.362 0.000 0.658 26 K N -0.915 119.381 120.400 -0.173 0.000 2.313 26 K HA 0.319 4.589 4.320 -0.083 0.000 0.235 26 K C -1.467 175.102 176.600 -0.051 0.000 1.035 26 K CA -1.618 54.616 56.287 -0.087 0.000 0.868 26 K CB 3.202 35.666 32.500 -0.060 0.000 1.232 26 K HN 0.220 8.369 8.250 -0.170 0.000 0.459 27 E N 0.224 120.405 120.200 -0.032 0.000 2.413 27 E HA -0.287 4.061 4.350 -0.003 0.000 0.263 27 E C 1.198 177.801 176.600 0.005 0.000 1.015 27 E CA 2.142 58.536 56.400 -0.010 0.000 0.916 27 E CB 0.471 30.165 29.700 -0.010 0.000 0.947 27 E HN 0.105 8.444 8.360 -0.036 0.000 0.440 28 D N 2.038 122.464 120.400 0.043 0.000 4.018 28 D HA -0.392 4.327 4.640 0.131 0.000 0.207 28 D C -0.949 175.442 176.300 0.153 0.000 1.219 28 D CA 2.873 56.932 54.000 0.099 0.000 2.366 28 D CB -0.445 40.390 40.800 0.058 0.000 1.202 28 D HN 0.459 8.855 8.370 0.043 0.000 0.414 29 V N 2.419 122.379 119.914 0.077 0.000 2.334 29 V HA 0.008 4.268 4.120 0.234 0.000 0.267 29 V C -1.306 174.826 176.094 0.062 0.000 1.040 29 V CA -0.088 62.280 62.300 0.113 0.000 0.866 29 V CB 0.551 32.385 31.823 0.017 0.000 1.019 29 V HN -0.197 7.930 8.190 0.013 0.071 0.468 30 S N 7.348 123.106 115.700 0.097 0.000 2.500 30 S HA 0.421 4.812 4.470 -0.132 0.000 0.301 30 S C -1.138 173.507 174.600 0.075 0.000 1.092 30 S CA -1.747 56.450 58.200 -0.004 0.000 1.030 30 S CB 3.112 66.319 63.200 0.011 0.000 1.031 30 S HN -0.237 8.183 8.310 0.182 0.000 0.483 31 Y N 0.546 120.887 120.300 0.068 0.000 2.587 31 Y HA 0.891 5.695 4.550 0.074 -0.210 0.337 31 Y C -1.779 174.146 175.900 0.042 0.000 1.065 31 Y CA -3.457 54.684 58.100 0.068 0.000 1.126 31 Y CB 3.150 41.662 38.460 0.088 0.000 1.279 31 Y HN 0.359 8.362 8.280 -0.461 0.000 0.489 32 E N 0.365 120.749 120.200 0.306 0.000 2.291 32 E HA 0.445 5.081 4.350 0.187 -0.173 0.276 32 E C -1.682 174.913 176.600 -0.008 0.000 0.896 32 E CA -1.719 54.757 56.400 0.127 0.000 0.774 32 E CB 3.937 33.625 29.700 -0.020 0.000 1.227 32 E HN 0.040 8.561 8.360 0.269 0.000 0.413 33 E N 7.460 127.642 120.200 -0.030 0.000 2.134 33 E HA 0.934 5.284 4.350 -0.363 -0.217 0.278 33 E C -1.391 175.037 176.600 -0.285 0.000 0.959 33 E CA -1.796 54.463 56.400 -0.234 0.000 0.783 33 E CB 1.516 31.077 29.700 -0.231 0.000 1.095 33 E HN -0.184 8.205 8.360 0.048 0.000 0.399 34 R N 0.599 120.834 120.500 -0.442 0.000 2.740 34 R HA 0.987 5.350 4.340 -0.259 -0.179 0.273 34 R C -2.211 173.835 176.300 -0.423 0.000 0.998 34 R CA -2.189 53.654 56.100 -0.427 0.000 0.900 34 R CB 4.925 34.795 30.300 -0.716 0.000 1.223 34 R HN 0.972 8.908 8.270 -0.557 0.000 0.466 35 A N 0.548 123.214 122.820 -0.256 0.000 2.301 35 A HA 0.608 4.937 4.320 -0.243 -0.155 0.312 35 A C -0.400 177.098 177.584 -0.144 0.000 1.182 35 A CA -1.876 50.049 52.037 -0.187 0.000 0.826 35 A CB 1.644 20.594 19.000 -0.083 0.000 1.134 35 A HN 0.809 8.744 8.150 -0.159 0.119 0.501 36 C N 3.814 123.015 119.300 -0.164 0.000 2.679 36 C HA -0.349 4.002 4.460 -0.181 0.000 0.417 36 C C 1.112 176.160 174.990 0.098 0.000 1.302 36 C CA 1.459 60.422 59.018 -0.091 0.000 1.973 36 C CB 0.625 28.296 27.740 -0.114 0.000 2.715 36 C HN 0.028 8.147 8.230 -0.184 0.000 0.628 37 E N 1.491 121.837 120.200 0.243 0.000 2.049 37 E HA -0.348 4.354 4.350 0.277 -0.186 0.198 37 E C 1.166 177.870 176.600 0.174 0.000 1.007 37 E CA 2.060 58.633 56.400 0.289 0.000 0.809 37 E CB 0.328 30.313 29.700 0.476 0.000 0.749 37 E HN 0.163 8.695 8.360 0.286 0.000 0.450 38 G N -2.769 106.128 108.800 0.161 0.000 2.159 38 G HA2 -0.271 3.878 3.960 0.085 0.000 0.227 38 G HA3 -0.271 3.732 3.960 0.070 0.000 0.227 38 G C -0.446 174.465 174.900 0.018 0.000 0.986 38 G CA -0.194 44.958 45.100 0.087 0.000 0.651 38 G HN -0.169 8.255 8.290 0.225 0.000 0.523 39 G N -1.666 107.107 108.800 -0.046 0.000 2.634 39 G HA2 -0.080 3.794 3.960 -0.144 0.000 0.255 39 G HA3 -0.080 3.669 3.960 -0.352 0.000 0.255 39 G C -1.139 173.385 174.900 -0.626 0.000 1.205 39 G CA -1.321 43.598 45.100 -0.302 0.000 0.884 39 G HN -0.260 8.044 8.290 0.104 0.049 0.549 40 K N -0.431 119.684 120.400 -0.476 0.000 2.258 40 K HA 0.044 4.424 4.320 -0.153 -0.152 0.284 40 K C -1.614 174.751 176.600 -0.393 0.000 1.051 40 K CA -0.144 55.970 56.287 -0.287 0.000 0.923 40 K CB 0.547 33.011 32.500 -0.059 0.000 1.046 40 K HN 0.114 8.175 8.250 -0.315 0.000 0.474 41 F N 2.144 122.268 119.950 0.290 0.000 2.611 41 F HA 0.268 4.968 4.527 0.288 0.000 0.324 41 F C -1.612 174.320 175.800 0.221 0.000 1.061 41 F CA -2.019 56.170 58.000 0.315 0.000 0.954 41 F CB 4.375 43.642 39.000 0.444 0.000 1.301 41 F HN 0.650 8.977 8.300 0.257 0.127 0.482 42 A N -0.057 123.008 122.820 0.409 0.000 2.252 42 A HA 0.826 5.336 4.320 -0.048 -0.219 0.309 42 A C -1.378 176.216 177.584 0.017 0.000 1.285 42 A CA -1.662 50.416 52.037 0.068 0.000 0.900 42 A CB 1.150 20.046 19.000 -0.173 0.000 1.157 42 A HN 0.473 8.974 8.150 0.585 0.000 0.536 43 T N 5.442 119.877 114.554 -0.198 0.000 2.876 43 T HA 1.022 5.373 4.350 -0.315 -0.191 0.289 43 T C -1.574 172.920 174.700 -0.344 0.000 1.014 43 T CA -2.837 59.004 62.100 -0.430 0.000 0.986 43 T CB 2.487 70.654 68.868 -1.168 0.000 1.021 43 T HN 1.094 9.105 8.240 -0.200 0.108 0.458 44 V N 3.280 123.012 119.914 -0.303 0.000 2.531 44 V HA 0.738 4.863 4.120 -0.202 -0.126 0.301 44 V C -2.285 173.687 176.094 -0.202 0.000 1.034 44 V CA -3.125 59.046 62.300 -0.216 0.000 0.865 44 V CB 2.364 34.091 31.823 -0.160 0.000 0.995 44 V HN 0.797 8.799 8.190 -0.313 0.000 0.424 45 E N 5.634 125.739 120.200 -0.159 0.000 2.158 45 E HA 0.857 5.335 4.350 -0.113 -0.196 0.271 45 E C -1.087 175.468 176.600 -0.075 0.000 0.911 45 E CA -2.088 54.247 56.400 -0.108 0.000 0.767 45 E CB 1.996 31.650 29.700 -0.077 0.000 1.120 45 E HN 0.258 8.529 8.360 -0.148 0.000 0.405 46 V N 5.966 125.842 119.914 -0.064 0.000 2.581 46 V HA 0.322 4.410 4.120 -0.055 0.000 0.303 46 V C -0.858 175.220 176.094 -0.027 0.000 1.041 46 V CA -1.192 61.075 62.300 -0.055 0.000 0.907 46 V CB 2.275 34.052 31.823 -0.076 0.000 0.994 46 V HN 0.948 8.993 8.190 -0.064 0.107 0.442 47 T N -0.186 114.354 114.554 -0.023 0.000 2.864 47 T HA 0.334 4.685 4.350 0.003 0.000 0.289 47 T C 0.137 174.829 174.700 -0.014 0.000 1.082 47 T CA -2.202 59.893 62.100 -0.008 0.000 1.009 47 T CB 2.633 71.498 68.868 -0.005 0.000 1.234 47 T HN -0.096 8.126 8.240 -0.030 0.000 0.526 48 D N -0.071 120.325 120.400 -0.007 0.000 3.031 48 D HA -0.464 4.173 4.640 -0.005 0.000 0.180 48 D C -0.940 175.353 176.300 -0.011 0.000 1.571 48 D CA 2.838 56.832 54.000 -0.009 0.000 2.057 48 D CB -0.376 40.417 40.800 -0.013 0.000 1.356 48 D HN 0.546 8.915 8.370 -0.001 0.000 0.442 49 K N 0.256 120.645 120.400 -0.018 0.000 2.227 49 K HA 0.301 4.609 4.320 -0.020 0.000 0.280 49 K C -2.426 174.160 176.600 -0.024 0.000 1.041 49 K CA -1.908 54.365 56.287 -0.024 0.000 0.905 49 K CB 0.261 32.740 32.500 -0.036 0.000 1.068 49 K HN -0.254 7.820 8.250 -0.021 0.163 0.470 50 P HA -0.091 4.327 4.420 -0.003 0.000 0.269 50 P C 0.710 177.989 177.300 -0.034 0.000 1.217 50 P CA -0.521 62.571 63.100 -0.015 0.000 0.783 50 P CB 0.698 32.393 31.700 -0.008 0.000 0.898 51 V N 2.734 122.630 119.914 -0.030 0.000 2.370 51 V HA -0.573 3.496 4.120 -0.086 0.000 0.252 51 V C 1.813 177.852 176.094 -0.092 0.000 1.068 51 V CA 4.864 67.129 62.300 -0.059 0.000 1.061 51 V CB -0.150 31.663 31.823 -0.016 0.000 0.656 51 V HN 0.371 8.555 8.190 -0.009 0.000 0.455 52 D N -1.585 118.784 120.400 -0.052 0.000 2.092 52 D HA -0.318 4.286 4.640 -0.060 0.000 0.193 52 D C 2.462 178.714 176.300 -0.081 0.000 0.994 52 D CA 4.114 58.081 54.000 -0.055 0.000 0.828 52 D CB -0.398 40.389 40.800 -0.021 0.000 0.963 52 D HN 0.391 8.736 8.370 -0.026 0.010 0.450 53 E N -0.969 119.190 120.200 -0.068 0.000 2.076 53 E HA -0.187 4.124 4.350 -0.066 0.000 0.190 53 E C 2.187 178.728 176.600 -0.098 0.000 0.979 53 E CA 2.134 58.492 56.400 -0.070 0.000 0.807 53 E CB -0.147 29.523 29.700 -0.049 0.000 0.761 53 E HN -0.529 7.722 8.360 -0.053 0.078 0.454 54 A N 0.183 122.938 122.820 -0.108 0.000 1.908 54 A HA -0.290 3.966 4.320 -0.106 0.000 0.218 54 A C 2.022 179.487 177.584 -0.198 0.000 1.181 54 A CA 3.127 55.085 52.037 -0.131 0.000 0.627 54 A CB -0.500 18.431 19.000 -0.116 0.000 0.818 54 A HN 0.719 8.697 8.150 -0.092 0.117 0.445 55 L N -1.164 119.891 121.223 -0.280 0.000 1.994 55 L HA -0.309 3.739 4.340 -0.487 0.000 0.208 55 L C 1.167 177.878 176.870 -0.264 0.000 1.071 55 L CA 3.354 57.948 54.840 -0.411 0.000 0.745 55 L CB -0.188 41.514 42.059 -0.594 0.000 0.892 55 L HN -0.071 8.005 8.230 -0.256 0.000 0.431 56 R N -2.141 118.247 120.500 -0.187 0.000 2.189 56 R HA -0.278 3.985 4.340 -0.128 0.000 0.223 56 R C 1.906 178.141 176.300 -0.108 0.000 1.092 56 R CA 2.631 58.655 56.100 -0.127 0.000 0.989 56 R CB -0.745 29.501 30.300 -0.091 0.000 0.876 56 R HN -0.641 7.521 8.270 -0.180 0.000 0.457 57 E N -0.703 119.430 120.200 -0.112 0.000 2.170 57 E HA -0.095 4.209 4.350 -0.078 0.000 0.191 57 E C 1.666 178.205 176.600 -0.102 0.000 0.981 57 E CA 1.469 57.814 56.400 -0.092 0.000 0.830 57 E CB 0.261 29.912 29.700 -0.082 0.000 0.775 57 E HN -0.012 8.148 8.360 -0.126 0.124 0.470 58 A N 0.958 123.701 122.820 -0.129 0.000 1.970 58 A HA -0.158 4.093 4.320 -0.114 0.000 0.216 58 A C 2.068 179.579 177.584 -0.121 0.000 1.170 58 A CA 2.950 54.908 52.037 -0.131 0.000 0.645 58 A CB -0.571 18.334 19.000 -0.159 0.000 0.816 58 A HN 0.197 8.172 8.150 -0.151 0.084 0.447 59 M N -1.735 117.789 119.600 -0.126 0.000 2.073 59 M HA -0.255 4.169 4.480 -0.093 0.000 0.258 59 M C -1.217 175.032 176.300 -0.085 0.000 1.070 59 M CA 3.890 59.131 55.300 -0.099 0.000 1.103 59 M CB -3.162 29.383 32.600 -0.092 0.000 1.321 59 M HN 0.327 8.529 8.290 -0.147 0.000 0.405 60 P HA -0.244 4.139 4.420 -0.062 0.000 0.216 60 P C 1.581 178.839 177.300 -0.069 0.000 1.150 60 P CA 3.258 66.318 63.100 -0.067 0.000 0.843 60 P CB -0.841 30.823 31.700 -0.060 0.000 0.787 61 K N -4.305 116.049 120.400 -0.078 0.000 2.148 61 K HA -0.234 4.050 4.320 -0.060 0.000 0.204 61 K C 2.329 178.875 176.600 -0.091 0.000 1.050 61 K CA 3.178 59.419 56.287 -0.077 0.000 0.942 61 K CB -0.555 31.893 32.500 -0.086 0.000 0.724 61 K HN -0.822 7.263 8.250 -0.084 0.115 0.446 62 I N -0.035 120.464 120.570 -0.118 0.000 2.277 62 I HA -0.306 3.741 4.170 -0.205 0.000 0.243 62 I C 1.901 177.895 176.117 -0.206 0.000 1.094 62 I CA 1.973 63.161 61.300 -0.187 0.000 1.393 62 I CB -0.513 37.381 38.000 -0.176 0.000 1.078 62 I HN -0.271 7.761 8.210 -0.108 0.113 0.417 63 M N -1.969 117.546 119.600 -0.141 0.000 2.229 63 M HA -0.322 4.060 4.480 -0.164 0.000 0.264 63 M C 1.644 177.885 176.300 -0.098 0.000 1.063 63 M CA 3.779 59.005 55.300 -0.123 0.000 1.114 63 M CB -0.246 32.306 32.600 -0.079 0.000 1.387 63 M HN 0.236 8.458 8.290 -0.113 0.000 0.420 64 K N -1.624 118.736 120.400 -0.067 0.000 2.148 64 K HA -0.323 3.964 4.320 -0.055 0.000 0.204 64 K C 1.297 177.880 176.600 -0.028 0.000 1.050 64 K CA 2.897 59.157 56.287 -0.045 0.000 0.942 64 K CB -0.876 31.606 32.500 -0.029 0.000 0.724 64 K HN 0.178 8.373 8.250 -0.066 0.016 0.446 65 Y N 1.002 121.208 120.300 -0.157 0.000 2.089 65 Y HA -0.340 4.147 4.550 -0.105 0.000 0.282 65 Y C 1.839 177.645 175.900 -0.157 0.000 1.139 65 Y CA 3.155 61.162 58.100 -0.155 0.000 1.123 65 Y CB -0.009 38.332 38.460 -0.198 0.000 0.980 65 Y HN -0.849 7.338 8.280 0.038 0.116 0.493 66 V N -4.772 114.924 119.914 -0.364 0.000 3.041 66 V HA -0.120 3.641 4.120 -0.598 0.000 0.260 66 V C 1.709 177.656 176.094 -0.246 0.000 1.105 66 V CA 1.425 63.481 62.300 -0.406 0.000 1.125 66 V CB -0.719 30.924 31.823 -0.299 0.000 0.730 66 V HN -0.783 7.274 8.190 -0.221 0.000 0.479 67 G N -0.953 107.742 108.800 -0.175 0.000 2.484 67 G HA2 -0.096 3.805 3.960 -0.099 0.000 0.218 67 G HA3 -0.096 3.865 3.960 -0.090 -0.055 0.218 67 G C 0.008 174.846 174.900 -0.103 0.000 1.130 67 G CA 1.158 46.190 45.100 -0.113 0.000 0.784 67 G HN 0.017 8.064 8.290 -0.166 0.144 0.543 68 G N -0.924 107.799 108.800 -0.127 0.000 2.935 68 G HA2 -0.155 3.961 3.960 -0.111 0.000 0.213 68 G HA3 -0.155 3.763 3.960 -0.070 0.000 0.213 68 G C 0.137 174.992 174.900 -0.076 0.000 0.984 68 G CA 0.120 45.161 45.100 -0.097 0.000 0.790 68 G HN -0.680 7.476 8.290 -0.166 0.034 0.538 69 T N 4.305 118.820 114.554 -0.065 0.000 3.434 69 T HA -0.133 4.206 4.350 -0.019 0.000 0.249 69 T C -1.337 173.368 174.700 0.008 0.000 1.050 69 T CA 1.302 63.389 62.100 -0.022 0.000 0.952 69 T CB -1.126 67.737 68.868 -0.008 0.000 1.046 69 T HN 0.082 8.277 8.240 -0.076 0.000 0.590 70 N N -0.868 117.807 118.700 -0.041 0.000 2.482 70 N HA 0.033 4.853 4.740 0.132 0.000 0.279 70 N C 0.111 175.633 175.510 0.019 0.000 1.182 70 N CA -1.260 51.791 53.050 0.001 0.000 0.969 70 N CB 1.692 40.049 38.487 -0.217 0.000 1.201 70 N HN -0.779 7.400 8.380 -0.092 0.146 0.523 71 D N -0.264 120.174 120.400 0.063 0.000 2.178 71 D HA -0.218 4.443 4.640 0.036 0.000 0.202 71 D C 0.374 176.692 176.300 0.031 0.000 0.974 71 D CA 2.840 56.868 54.000 0.047 0.000 0.841 71 D CB 0.114 40.951 40.800 0.063 0.000 0.953 71 D HN 0.535 8.974 8.370 0.115 0.000 0.478 72 K N -2.658 117.761 120.400 0.031 0.000 2.432 72 K HA -0.137 4.201 4.320 0.030 0.000 0.196 72 K C 0.474 177.079 176.600 0.008 0.000 1.038 72 K CA -0.551 55.752 56.287 0.027 0.000 0.986 72 K CB 0.084 32.611 32.500 0.045 0.000 0.782 72 K HN -0.156 8.161 8.250 0.038 -0.044 0.485 73 G N 0.121 108.915 108.800 -0.011 0.000 2.225 73 G HA2 -0.344 3.597 3.960 -0.032 0.000 0.264 73 G HA3 -0.344 3.610 3.960 -0.010 0.000 0.264 73 G C -0.236 174.647 174.900 -0.027 0.000 1.060 73 G CA 0.334 45.422 45.100 -0.021 0.000 0.833 73 G HN -0.555 7.633 8.290 -0.015 0.093 0.498 74 V N 0.402 120.288 119.914 -0.047 0.000 2.455 74 V HA -0.119 4.002 4.120 0.002 0.000 0.273 74 V C -0.103 175.944 176.094 -0.079 0.000 1.045 74 V CA 0.688 62.964 62.300 -0.039 0.000 0.976 74 V CB -0.002 31.802 31.823 -0.032 0.000 0.993 74 V HN -0.001 8.582 8.190 -0.068 -0.433 0.475 75 G N 6.081 114.855 108.800 -0.042 0.000 3.088 75 G HA2 -0.036 3.880 3.960 -0.073 0.000 0.217 75 G HA3 -0.036 3.906 3.960 -0.031 0.000 0.217 75 G C -0.655 174.216 174.900 -0.047 0.000 1.159 75 G CA -0.062 45.008 45.100 -0.050 0.000 0.760 75 G HN 0.426 8.708 8.290 -0.012 0.000 0.550 76 M N 2.441 122.017 119.600 -0.039 0.000 2.538 76 M HA -0.018 4.465 4.480 0.005 0.000 0.327 76 M C -0.288 175.948 176.300 -0.107 0.000 1.545 76 M CA -2.653 52.633 55.300 -0.025 0.000 1.380 76 M CB -0.519 32.127 32.600 0.076 0.000 1.657 76 M HN -0.558 7.646 8.290 -0.027 0.071 0.459 77 G N 7.559 116.321 108.800 -0.064 0.000 2.716 77 G HA2 0.024 4.044 3.960 -0.115 0.000 0.296 77 G HA3 0.024 3.961 3.960 -0.038 0.000 0.296 77 G C -1.406 173.487 174.900 -0.011 0.000 0.811 77 G CA -0.342 44.721 45.100 -0.063 0.000 1.758 77 G HN -0.056 8.214 8.290 -0.033 0.000 0.512 78 M N 3.479 123.056 119.600 -0.039 0.000 2.157 78 M HA 0.266 4.802 4.480 0.093 0.000 0.354 78 M C -0.845 175.597 176.300 0.237 0.000 1.170 78 M CA -1.257 54.078 55.300 0.058 0.000 1.060 78 M CB 0.939 33.491 32.600 -0.080 0.000 1.615 78 M HN -0.573 7.634 8.290 -0.139 0.000 0.460 79 T N 6.840 121.549 114.554 0.258 0.000 2.847 79 T HA 0.286 4.920 4.350 0.474 0.000 0.291 79 T C -0.939 173.962 174.700 0.335 0.000 0.998 79 T CA -0.355 61.952 62.100 0.346 0.000 0.967 79 T CB 1.145 70.201 68.868 0.313 0.000 0.954 79 T HN 0.170 8.538 8.240 0.214 0.000 0.441 80 V N 1.147 121.187 119.914 0.209 0.000 3.229 80 V HA 0.664 4.956 4.120 0.287 0.000 0.310 80 V C -2.292 173.607 176.094 -0.324 0.000 1.206 80 V CA -4.857 57.489 62.300 0.076 0.000 1.051 80 V CB 0.180 32.084 31.823 0.135 0.000 1.183 80 V HN -0.171 8.107 8.190 0.147 0.000 0.466 81 P HA -0.014 3.928 4.420 -0.971 -0.105 0.268 81 P C -1.399 175.661 177.300 -0.400 0.000 1.204 81 P CA 0.467 63.100 63.100 -0.779 0.000 0.768 81 P CB -0.019 31.270 31.700 -0.686 0.000 0.842 82 V N 3.428 123.206 119.914 -0.226 0.000 2.532 82 V HA 0.125 4.157 4.120 -0.147 0.000 0.295 82 V C -1.095 174.917 176.094 -0.137 0.000 1.041 82 V CA -0.958 61.288 62.300 -0.090 0.000 0.926 82 V CB 2.262 34.163 31.823 0.130 0.000 0.992 82 V HN 0.805 8.765 8.190 -0.192 0.115 0.457 83 S N 3.776 119.373 115.700 -0.172 0.000 2.542 83 S HA 0.960 5.424 4.470 -0.300 -0.174 0.293 83 S C -1.633 172.976 174.600 0.014 0.000 1.089 83 S CA -2.799 55.237 58.200 -0.273 0.000 0.961 83 S CB 2.389 65.148 63.200 -0.735 0.000 1.062 83 S HN 0.291 8.528 8.310 -0.122 0.000 0.483 84 F N 0.948 120.784 119.950 -0.190 0.000 2.578 84 F HA 0.881 5.518 4.527 -0.027 -0.126 0.311 84 F C -2.579 172.991 175.800 -0.383 0.000 1.094 84 F CA -3.036 54.855 58.000 -0.182 0.000 0.923 84 F CB 3.198 42.061 39.000 -0.229 0.000 1.230 84 F HN 0.211 8.166 8.300 -0.576 0.000 0.450 85 A N 1.305 123.867 122.820 -0.429 0.000 2.301 85 A HA 0.803 4.437 4.320 -1.436 -0.175 0.298 85 A C -1.201 175.793 177.584 -0.982 0.000 1.185 85 A CA -2.063 49.335 52.037 -1.065 0.000 0.830 85 A CB 1.259 19.580 19.000 -1.131 0.000 1.112 85 A HN 1.041 9.008 8.150 -0.112 0.116 0.508 86 V N -3.810 115.385 119.914 -1.200 0.000 2.914 86 V HA 0.649 4.241 4.120 -0.879 0.000 0.314 86 V C -1.750 173.710 176.094 -1.057 0.000 1.084 86 V CA -3.023 58.655 62.300 -1.038 0.000 0.963 86 V CB 3.369 34.679 31.823 -0.855 0.000 1.025 86 V HN 0.341 7.763 8.190 -1.280 0.000 0.432 87 F N 0.185 120.017 119.950 -0.197 0.000 2.430 87 F HA 0.638 5.118 4.527 -0.079 0.000 0.362 87 F C -2.428 173.371 175.800 -0.000 0.000 1.103 87 F CA -3.213 54.737 58.000 -0.082 0.000 1.045 87 F CB 1.479 40.450 39.000 -0.049 0.000 1.276 87 F HN 0.518 8.628 8.300 -0.316 0.000 0.444 88 P HA 0.197 4.717 4.420 0.168 0.000 0.292 88 P C -1.390 176.005 177.300 0.157 0.000 1.287 88 P CA -1.183 62.036 63.100 0.199 0.000 0.800 88 P CB 0.688 32.549 31.700 0.268 0.000 0.945 89 N N 3.665 122.436 118.700 0.118 0.000 2.463 89 N HA 0.140 4.935 4.740 0.091 0.000 0.270 89 N C 1.334 176.889 175.510 0.074 0.000 1.205 89 N CA -0.613 52.490 53.050 0.088 0.000 0.974 89 N CB 2.123 40.650 38.487 0.067 0.000 1.197 89 N HN 0.288 8.623 8.380 0.112 0.112 0.504 90 E N 0.266 120.503 120.200 0.061 0.000 2.409 90 E HA -0.230 4.152 4.350 0.054 0.000 0.198 90 E C -0.342 176.282 176.600 0.039 0.000 1.024 90 E CA 2.708 59.138 56.400 0.050 0.000 0.861 90 E CB -0.461 29.265 29.700 0.044 0.000 0.788 90 E HN 0.554 8.949 8.360 0.058 0.000 0.521 91 D N -1.611 118.813 120.400 0.040 0.000 2.363 91 D HA -0.052 4.605 4.640 0.027 0.000 0.220 91 D C 0.591 176.912 176.300 0.035 0.000 0.994 91 D CA 0.121 54.141 54.000 0.033 0.000 0.890 91 D CB -0.412 40.406 40.800 0.031 0.000 0.906 91 D HN -0.325 8.015 8.370 0.044 0.057 0.530 92 G N -1.988 106.838 108.800 0.043 0.000 2.217 92 G HA2 -0.339 3.648 3.960 0.046 0.000 0.246 92 G HA3 -0.339 3.642 3.960 0.035 0.000 0.246 92 G C -0.599 174.335 174.900 0.057 0.000 0.990 92 G CA -0.007 45.120 45.100 0.045 0.000 0.627 92 G HN -0.253 7.870 8.290 0.050 0.197 0.522 93 S N 1.883 117.618 115.700 0.057 0.000 2.525 93 S HA 0.127 4.632 4.470 0.059 0.000 0.278 93 S C -0.819 173.827 174.600 0.078 0.000 1.234 93 S CA -0.560 57.676 58.200 0.060 0.000 1.058 93 S CB 0.954 64.182 63.200 0.047 0.000 0.983 93 S HN -0.435 7.819 8.310 0.052 0.087 0.495 94 L N 4.576 125.848 121.223 0.081 0.000 2.380 94 L HA 0.058 4.611 4.340 0.111 -0.146 0.273 94 L C 0.378 177.298 176.870 0.084 0.000 1.138 94 L CA 0.382 55.275 54.840 0.088 0.000 0.832 94 L CB 0.341 42.440 42.059 0.066 0.000 1.124 94 L HN 0.441 8.715 8.230 0.074 0.000 0.454 95 Q N 3.701 123.573 119.800 0.119 0.000 2.288 95 Q HA -0.019 4.368 4.340 0.078 0.000 0.258 95 Q C -0.292 175.781 176.000 0.123 0.000 0.957 95 Q CA -0.960 54.913 55.803 0.116 0.000 0.919 95 Q CB 1.184 30.006 28.738 0.140 0.000 1.185 95 Q HN 0.905 9.153 8.270 0.154 0.114 0.408 96 K N 7.716 128.162 120.400 0.076 0.000 2.054 96 K HA -0.169 4.181 4.320 0.050 0.000 0.242 96 K C -1.341 175.304 176.600 0.075 0.000 1.157 96 K CA 0.590 56.911 56.287 0.057 0.000 1.079 96 K CB -1.292 31.225 32.500 0.029 0.000 1.331 96 K HN 0.455 8.739 8.250 0.058 0.000 0.317 97 K N 2.927 123.404 120.400 0.128 0.000 2.575 97 K HA 0.368 4.906 4.320 0.091 -0.163 0.255 97 K C -2.931 173.756 176.600 0.144 0.000 0.953 97 K CA -0.362 56.027 56.287 0.170 0.000 0.840 97 K CB 3.841 36.505 32.500 0.273 0.000 1.303 97 K HN 0.097 8.388 8.250 0.136 0.041 0.438 98 L N 5.407 126.653 121.223 0.039 0.000 2.438 98 L HA 0.706 5.113 4.340 -0.162 -0.164 0.270 98 L C -3.035 173.799 176.870 -0.060 0.000 0.972 98 L CA -1.189 53.612 54.840 -0.065 0.000 0.831 98 L CB 4.299 46.302 42.059 -0.094 0.000 1.273 98 L HN 0.623 8.871 8.230 0.030 0.000 0.405 99 K N 7.104 127.451 120.400 -0.088 0.000 2.483 99 K HA 0.550 4.964 4.320 -0.129 -0.171 0.256 99 K C -1.711 174.833 176.600 -0.093 0.000 0.961 99 K CA -1.496 54.730 56.287 -0.102 0.000 0.873 99 K CB 2.841 35.329 32.500 -0.020 0.000 1.107 99 K HN 0.162 8.308 8.250 -0.175 0.000 0.432 100 V N 7.571 127.400 119.914 -0.140 0.000 2.432 100 V HA 0.078 4.380 4.120 0.134 -0.103 0.275 100 V C -0.850 175.167 176.094 -0.127 0.000 1.043 100 V CA 0.522 62.802 62.300 -0.034 0.000 0.925 100 V CB 0.869 32.657 31.823 -0.058 0.000 0.985 100 V HN 1.075 9.046 8.190 -0.186 0.107 0.466 101 W N 8.118 129.430 121.300 0.021 0.000 2.417 101 W HA 0.216 5.012 4.660 0.065 -0.097 0.315 101 W C -1.971 174.541 176.519 -0.012 0.000 1.045 101 W CA -1.276 56.069 57.345 -0.001 0.000 1.221 101 W CB 2.101 31.505 29.460 -0.093 0.000 1.309 101 W HN 1.210 9.466 8.180 0.316 0.113 0.453 102 F N 4.061 124.087 119.950 0.126 0.000 2.361 102 F HA 0.408 4.949 4.527 0.023 0.000 0.364 102 F C -1.622 174.266 175.800 0.148 0.000 1.120 102 F CA -2.134 55.918 58.000 0.086 0.000 1.102 102 F CB 3.030 42.083 39.000 0.088 0.000 1.183 102 F HN 1.121 9.524 8.300 0.372 0.120 0.476 103 R N 9.208 129.364 120.500 -0.573 0.000 2.316 103 R HA 0.045 4.149 4.340 -0.393 0.000 0.314 103 R C -1.680 174.410 176.300 -0.350 0.000 1.069 103 R CA -0.275 55.531 56.100 -0.491 0.000 0.959 103 R CB 0.683 30.579 30.300 -0.673 0.000 0.987 103 R HN 0.172 8.098 8.270 -0.573 0.000 0.446 104 I N 7.153 127.939 120.570 0.360 0.000 2.395 104 I HA 0.203 4.447 4.170 0.123 0.000 0.289 104 I C -1.864 174.604 176.117 0.586 0.000 1.023 104 I CA -2.695 58.834 61.300 0.382 0.000 1.350 104 I CB 0.460 38.764 38.000 0.508 0.000 1.409 104 I HN 0.131 8.928 8.210 0.977 0.000 0.507 105 P HA -0.049 4.528 4.420 0.262 0.000 0.268 105 P C 0.181 177.549 177.300 0.113 0.000 1.208 105 P CA -0.045 63.238 63.100 0.305 0.000 0.777 105 P CB 0.681 32.587 31.700 0.344 0.000 0.875 106 N N 1.375 119.901 118.700 -0.289 0.000 2.061 106 N HA -0.515 4.003 4.740 -0.371 0.000 0.193 106 N C 1.605 177.024 175.510 -0.152 0.000 1.030 106 N CA 3.791 56.637 53.050 -0.340 0.000 0.856 106 N CB 0.043 38.239 38.487 -0.486 0.000 1.023 106 N HN 0.219 8.310 8.380 -0.482 0.000 0.424 107 Q N -1.494 118.226 119.800 -0.132 0.000 2.170 107 Q HA -0.252 3.945 4.340 -0.240 0.000 0.203 107 Q C 2.553 178.363 176.000 -0.318 0.000 0.976 107 Q CA 2.675 58.323 55.803 -0.258 0.000 0.858 107 Q CB -0.137 28.383 28.738 -0.362 0.000 0.907 107 Q HN 0.304 8.516 8.270 -0.096 0.000 0.433 108 F N -4.135 115.823 119.950 0.013 0.000 2.776 108 F HA 0.119 4.673 4.527 0.045 0.000 0.300 108 F C 1.219 177.063 175.800 0.074 0.000 1.116 108 F CA 0.827 58.866 58.000 0.065 0.000 1.375 108 F CB 0.056 39.134 39.000 0.130 0.000 1.109 108 F HN -0.475 7.856 8.300 0.264 0.127 0.585 109 Q N -0.520 119.374 119.800 0.158 0.000 2.123 109 Q HA -0.209 4.213 4.340 0.137 0.000 0.199 109 Q C 2.088 178.110 176.000 0.037 0.000 0.966 109 Q CA 2.530 58.389 55.803 0.094 0.000 0.845 109 Q CB 0.053 28.811 28.738 0.034 0.000 0.907 109 Q HN -0.319 7.819 8.270 0.100 0.192 0.439 110 G N -1.902 106.890 108.800 -0.014 0.000 2.422 110 G HA2 -0.179 3.761 3.960 -0.032 0.000 0.218 110 G HA3 -0.179 3.735 3.960 -0.076 0.000 0.218 110 G C -0.224 174.670 174.900 -0.009 0.000 1.146 110 G CA 0.979 46.057 45.100 -0.037 0.000 0.769 110 G HN -0.561 7.705 8.290 -0.040 0.000 0.547 111 S N -1.043 114.667 115.700 0.017 0.000 2.423 111 S HA 0.418 4.923 4.470 0.058 0.000 0.213 111 S C -2.367 172.322 174.600 0.148 0.000 1.131 111 S CA -1.453 56.779 58.200 0.053 0.000 1.155 111 S CB 1.188 64.394 63.200 0.010 0.000 1.202 111 S HN -0.591 7.630 8.310 0.014 0.097 0.441 112 P HA 0.428 5.100 4.420 0.394 -0.015 0.290 112 P C -2.509 174.939 177.300 0.248 0.000 1.275 112 P CA -2.275 61.001 63.100 0.293 0.000 0.841 112 P CB -0.235 31.642 31.700 0.296 0.000 1.042 113 P HA 0.021 4.527 4.420 0.143 0.000 0.271 113 P C -1.048 176.422 177.300 0.283 0.000 1.218 113 P CA -0.366 62.851 63.100 0.195 0.000 0.780 113 P CB 0.491 32.220 31.700 0.049 0.000 0.901 114 A N 1.651 124.586 122.820 0.191 0.000 2.407 114 A HA 0.135 4.550 4.320 0.159 0.000 0.248 114 A C -1.800 175.911 177.584 0.211 0.000 1.082 114 A CA -1.686 50.451 52.037 0.167 0.000 0.785 114 A CB -0.002 19.057 19.000 0.099 0.000 1.020 114 A HN 0.112 8.345 8.150 0.138 0.000 0.489 115 P HA 0.015 4.544 4.420 0.181 0.000 0.269 115 P C -1.106 176.241 177.300 0.079 0.000 1.252 115 P CA 0.055 63.212 63.100 0.095 0.000 0.780 115 P CB 0.104 31.786 31.700 -0.030 0.000 0.829 116 S N 0.735 116.495 115.700 0.100 0.000 2.524 116 S HA -0.112 4.385 4.470 0.045 0.000 0.216 116 S C -0.505 174.115 174.600 0.033 0.000 0.987 116 S CA 0.500 58.734 58.200 0.057 0.000 0.909 116 S CB 0.850 64.082 63.200 0.053 0.000 0.781 116 S HN 0.184 8.590 8.310 0.160 0.000 0.521 117 D N -0.258 120.161 120.400 0.031 0.000 2.168 117 D HA 0.126 4.767 4.640 0.001 0.000 0.246 117 D C 0.428 176.718 176.300 -0.016 0.000 1.050 117 D CA -0.639 53.364 54.000 0.003 0.000 0.857 117 D CB 1.906 42.705 40.800 -0.000 0.000 1.169 117 D HN -0.472 7.885 8.370 0.053 0.045 0.453 118 E N 3.890 124.078 120.200 -0.020 0.000 2.347 118 E HA -0.187 4.149 4.350 -0.023 0.000 0.196 118 E C 0.113 176.687 176.600 -0.043 0.000 1.008 118 E CA 1.721 58.105 56.400 -0.027 0.000 0.852 118 E CB -0.520 29.168 29.700 -0.021 0.000 0.783 118 E HN 0.467 8.816 8.360 -0.017 0.000 0.505 119 S N -1.547 114.122 115.700 -0.052 0.000 2.458 119 S HA 0.042 4.474 4.470 -0.064 0.000 0.223 119 S C -0.682 173.860 174.600 -0.097 0.000 1.019 119 S CA 1.792 59.950 58.200 -0.068 0.000 0.937 119 S CB 0.996 64.157 63.200 -0.065 0.000 0.788 119 S HN 0.014 8.652 8.310 -0.045 -0.355 0.511 120 V N 1.445 121.297 119.914 -0.104 0.000 2.407 120 V HA 0.056 4.224 4.120 -0.169 -0.149 0.278 120 V C -1.077 174.924 176.094 -0.155 0.000 1.037 120 V CA -1.249 60.957 62.300 -0.157 0.000 0.900 120 V CB 1.321 33.024 31.823 -0.199 0.000 0.983 120 V HN -1.008 7.271 8.190 -0.081 -0.138 0.459 121 K N 8.949 129.248 120.400 -0.168 0.000 2.316 121 K HA 0.340 4.601 4.320 -0.098 0.000 0.251 121 K C -1.663 174.866 176.600 -0.118 0.000 0.934 121 K CA -3.496 52.717 56.287 -0.124 0.000 0.802 121 K CB 3.499 35.939 32.500 -0.100 0.000 1.171 121 K HN 0.612 8.745 8.250 -0.194 0.000 0.426 122 I N 4.102 124.635 120.570 -0.062 0.000 2.301 122 I HA 0.607 5.047 4.170 0.015 -0.261 0.292 122 I C 0.070 176.221 176.117 0.057 0.000 1.046 122 I CA -1.566 59.737 61.300 0.004 0.000 1.282 122 I CB -0.913 37.103 38.000 0.026 0.000 1.409 122 I HN 0.423 8.604 8.210 -0.049 0.000 0.484 123 E N 8.239 128.517 120.200 0.129 0.000 2.266 123 E HA 0.425 4.860 4.350 0.140 0.000 0.268 123 E C -1.546 175.247 176.600 0.322 0.000 0.879 123 E CA -2.742 53.781 56.400 0.204 0.000 0.762 123 E CB 3.499 33.323 29.700 0.208 0.000 1.199 123 E HN 0.835 9.198 8.360 0.170 0.098 0.422 124 E N 2.216 122.552 120.200 0.227 0.000 2.191 124 E HA 0.595 5.231 4.350 0.118 -0.216 0.278 124 E C -0.588 176.144 176.600 0.220 0.000 0.972 124 E CA -1.274 55.223 56.400 0.161 0.000 0.804 124 E CB 1.416 31.150 29.700 0.056 0.000 1.110 124 E HN 0.342 8.811 8.360 0.182 0.000 0.394 125 R N 4.076 124.692 120.500 0.194 0.000 2.476 125 R HA 0.306 4.723 4.340 0.129 0.000 0.305 125 R C -1.263 175.073 176.300 0.060 0.000 0.965 125 R CA -1.237 54.924 56.100 0.101 0.000 0.867 125 R CB 1.739 31.954 30.300 -0.142 0.000 1.176 125 R HN -0.200 8.185 8.270 0.191 0.000 0.447 126 E N 5.020 125.245 120.200 0.043 0.000 2.459 126 E HA 0.202 4.562 4.350 0.018 0.000 0.275 126 E C -0.986 175.620 176.600 0.009 0.000 0.987 126 E CA -0.773 55.643 56.400 0.026 0.000 0.828 126 E CB 2.164 31.888 29.700 0.040 0.000 1.428 126 E HN 0.349 8.742 8.360 0.055 0.000 0.457 127 G N -2.663 106.136 108.800 -0.002 0.000 2.217 127 G HA2 -0.342 3.616 3.960 -0.003 0.000 0.246 127 G HA3 -0.342 3.624 3.960 0.009 0.000 0.246 127 G C -0.837 174.047 174.900 -0.026 0.000 0.990 127 G CA 0.281 45.379 45.100 -0.005 0.000 0.627 127 G HN 0.460 8.748 8.290 -0.003 0.000 0.522 128 I N -5.348 115.191 120.570 -0.053 0.000 2.846 128 I HA 0.365 4.499 4.170 -0.060 0.000 0.307 128 I C -1.704 174.321 176.117 -0.153 0.000 1.053 128 I CA -2.822 58.432 61.300 -0.077 0.000 1.050 128 I CB 2.313 40.287 38.000 -0.043 0.000 1.239 128 I HN -0.779 7.327 8.210 -0.059 0.068 0.439 129 T N 5.243 119.687 114.554 -0.184 0.000 2.794 129 T HA 0.553 4.868 4.350 -0.325 -0.160 0.280 129 T C -0.727 173.723 174.700 -0.415 0.000 0.987 129 T CA -0.166 61.748 62.100 -0.309 0.000 0.993 129 T CB 1.201 69.888 68.868 -0.303 0.000 0.939 129 T HN 0.330 8.491 8.240 -0.131 0.000 0.449 130 V N 1.272 120.855 119.914 -0.552 0.000 2.960 130 V HA 0.990 5.046 4.120 -0.375 -0.161 0.315 130 V C -2.283 173.397 176.094 -0.690 0.000 1.087 130 V CA -3.343 58.632 62.300 -0.541 0.000 0.982 130 V CB 3.077 34.571 31.823 -0.548 0.000 1.039 130 V HN 0.928 8.776 8.190 -0.570 0.000 0.437 131 Y N 1.693 121.883 120.300 -0.183 0.000 2.328 131 Y HA 0.671 5.310 4.550 -0.196 -0.207 0.337 131 Y C -0.178 175.636 175.900 -0.143 0.000 0.966 131 Y CA -2.018 55.989 58.100 -0.155 0.000 1.136 131 Y CB 1.641 40.058 38.460 -0.072 0.000 1.170 131 Y HN 1.074 9.231 8.280 -0.012 0.116 0.470 132 S N 4.460 120.110 115.700 -0.083 0.000 2.473 132 S HA 0.798 5.540 4.470 0.083 -0.222 0.307 132 S C -0.937 173.732 174.600 0.114 0.000 1.094 132 S CA -1.202 56.947 58.200 -0.085 0.000 1.070 132 S CB 2.159 65.022 63.200 -0.562 0.000 1.019 132 S HN 0.926 9.066 8.310 -0.108 0.106 0.480 133 T N 5.498 120.201 114.554 0.248 0.000 2.779 133 T HA 0.612 5.348 4.350 0.239 -0.243 0.280 133 T C -1.649 173.249 174.700 0.331 0.000 0.987 133 T CA -1.975 60.304 62.100 0.298 0.000 0.966 133 T CB 1.269 70.340 68.868 0.338 0.000 0.933 133 T HN 0.694 9.127 8.240 0.322 0.000 0.442 134 Q N 9.881 129.820 119.800 0.231 0.000 2.322 134 Q HA 0.739 5.218 4.340 -0.044 -0.166 0.265 134 Q C -1.402 174.698 176.000 0.167 0.000 0.985 134 Q CA -1.842 54.017 55.803 0.094 0.000 0.849 134 Q CB 2.664 31.435 28.738 0.054 0.000 1.274 134 Q HN -0.201 8.191 8.270 0.202 0.000 0.449 135 F N 3.249 123.172 119.950 -0.046 0.000 2.613 135 F HA 0.545 5.061 4.527 -0.017 0.000 0.310 135 F C -2.224 173.526 175.800 -0.083 0.000 1.085 135 F CA -1.839 56.117 58.000 -0.073 0.000 0.945 135 F CB 1.999 40.892 39.000 -0.179 0.000 1.298 135 F HN -0.190 7.736 8.300 -0.624 0.000 0.455 136 G N -1.056 107.796 108.800 0.085 0.000 2.542 136 G HA2 0.646 4.750 3.960 -0.113 0.000 0.311 136 G HA3 0.646 4.583 3.960 -0.037 0.000 0.311 136 G C -1.316 173.584 174.900 -0.001 0.000 1.298 136 G CA -0.979 44.106 45.100 -0.025 0.000 0.973 136 G HN 0.204 8.597 8.290 0.172 0.000 0.487 137 G N 0.155 108.892 108.800 -0.105 0.000 2.369 137 G HA2 -0.102 3.662 3.960 -0.326 0.000 0.295 137 G HA3 -0.102 3.838 3.960 -0.033 0.000 0.295 137 G C -2.662 172.111 174.900 -0.210 0.000 1.298 137 G CA -0.190 44.806 45.100 -0.173 0.000 0.940 137 G HN -0.125 8.074 8.290 -0.151 0.000 0.536 138 Y N 0.214 120.535 120.300 0.034 0.000 2.539 138 Y HA -0.027 4.533 4.550 0.017 0.000 0.352 138 Y C -0.243 175.681 175.900 0.040 0.000 1.004 138 Y CA 0.210 58.326 58.100 0.026 0.000 1.278 138 Y CB -0.755 37.715 38.460 0.017 0.000 1.136 138 Y HN 0.086 8.348 8.280 -0.030 0.000 0.528 139 A N 6.880 129.784 122.820 0.141 0.000 2.301 139 A HA 0.224 4.592 4.320 0.080 0.000 0.312 139 A C -1.683 175.953 177.584 0.087 0.000 1.182 139 A CA -0.875 51.198 52.037 0.061 0.000 0.826 139 A CB 1.123 20.066 19.000 -0.096 0.000 1.134 139 A HN 0.353 8.574 8.150 0.119 0.000 0.501 140 K N 1.930 122.378 120.400 0.080 0.000 2.288 140 K HA 0.399 4.820 4.320 0.168 0.000 0.234 140 K C 1.252 177.970 176.600 0.196 0.000 1.037 140 K CA -2.354 54.015 56.287 0.137 0.000 0.914 140 K CB 1.829 34.397 32.500 0.113 0.000 1.197 140 K HN 0.208 8.877 8.250 0.059 -0.384 0.471 141 E N 0.912 121.275 120.200 0.272 0.000 2.110 141 E HA -0.353 4.408 4.350 0.686 0.000 0.193 141 E C 2.247 179.041 176.600 0.323 0.000 0.988 141 E CA 3.672 60.308 56.400 0.394 0.000 0.804 141 E CB -0.050 29.814 29.700 0.273 0.000 0.745 141 E HN 0.632 9.121 8.360 0.216 0.000 0.458 142 A N -2.021 120.912 122.820 0.188 0.000 1.972 142 A HA -0.277 4.122 4.320 0.132 0.000 0.219 142 A C 1.654 179.300 177.584 0.103 0.000 1.169 142 A CA 3.023 55.135 52.037 0.126 0.000 0.635 142 A CB -0.716 18.329 19.000 0.076 0.000 0.810 142 A HN 0.273 8.507 8.150 0.160 0.011 0.446 143 D N -0.990 119.463 120.400 0.088 0.000 2.178 143 D HA -0.246 4.416 4.640 0.038 0.000 0.201 143 D C 2.348 178.701 176.300 0.088 0.000 0.980 143 D CA 4.113 58.146 54.000 0.055 0.000 0.842 143 D CB -0.236 40.575 40.800 0.018 0.000 0.948 143 D HN -0.366 7.933 8.370 0.097 0.129 0.472 144 Y N -0.596 119.811 120.300 0.178 0.000 2.200 144 Y HA -0.358 4.314 4.550 0.203 0.000 0.290 144 Y C 2.241 178.171 175.900 0.049 0.000 1.137 144 Y CA 3.698 61.904 58.100 0.177 0.000 1.163 144 Y CB -0.220 38.371 38.460 0.219 0.000 0.988 144 Y HN -0.891 7.496 8.280 0.202 0.014 0.518 145 V N -0.537 119.486 119.914 0.183 0.000 2.307 145 V HA -0.614 3.337 4.120 -0.281 0.000 0.245 145 V C 2.041 178.054 176.094 -0.134 0.000 1.045 145 V CA 4.223 66.492 62.300 -0.052 0.000 1.024 145 V CB -0.409 31.435 31.823 0.036 0.000 0.651 145 V HN -0.716 7.556 8.190 0.265 0.077 0.449 146 A N -0.105 122.666 122.820 -0.081 0.000 1.902 146 A HA -0.339 3.889 4.320 -0.154 0.000 0.217 146 A C 1.648 179.075 177.584 -0.262 0.000 1.181 146 A CA 3.178 55.115 52.037 -0.167 0.000 0.623 146 A CB -0.802 18.092 19.000 -0.176 0.000 0.818 146 A HN 0.641 8.673 8.150 -0.014 0.110 0.443 147 H N -1.010 117.897 119.070 -0.272 0.000 2.423 147 H HA -0.303 4.064 4.556 -0.316 0.000 0.297 147 H C 2.598 177.796 175.328 -0.218 0.000 1.075 147 H CA 4.431 60.280 56.048 -0.332 0.000 1.342 147 H CB -0.156 29.216 29.762 -0.649 0.000 1.395 147 H HN 0.139 8.282 8.280 -0.049 0.108 0.530 148 A N -0.754 121.978 122.820 -0.146 0.000 1.898 148 A HA -0.250 3.970 4.320 -0.166 0.000 0.216 148 A C 1.800 179.232 177.584 -0.253 0.000 1.181 148 A CA 3.393 55.266 52.037 -0.273 0.000 0.620 148 A CB -0.925 17.659 19.000 -0.693 0.000 0.819 148 A HN 0.044 8.022 8.150 -0.147 0.084 0.442 149 T N 1.694 116.108 114.554 -0.234 0.000 2.708 149 T HA -0.515 3.735 4.350 -0.166 0.000 0.266 149 T C 2.523 177.144 174.700 -0.132 0.000 1.037 149 T CA 5.079 67.076 62.100 -0.172 0.000 1.146 149 T CB -0.149 68.629 68.868 -0.151 0.000 0.865 149 T HN 0.099 8.121 8.240 -0.245 0.071 0.435 150 Q N 1.281 120.991 119.800 -0.149 0.000 2.230 150 Q HA -0.238 4.045 4.340 -0.095 0.000 0.202 150 Q C 2.406 178.372 176.000 -0.056 0.000 0.963 150 Q CA 2.987 58.718 55.803 -0.119 0.000 0.866 150 Q CB -0.101 28.526 28.738 -0.186 0.000 0.931 150 Q HN 0.269 8.316 8.270 -0.190 0.109 0.452 151 L N 0.571 121.764 121.223 -0.050 0.000 2.093 151 L HA -0.265 4.130 4.340 0.092 0.000 0.208 151 L C 1.377 178.236 176.870 -0.018 0.000 1.085 151 L CA 2.900 57.748 54.840 0.013 0.000 0.755 151 L CB -0.413 41.658 42.059 0.020 0.000 0.904 151 L HN 0.270 8.239 8.230 -0.088 0.208 0.435 152 R N -2.767 117.696 120.500 -0.062 0.000 2.092 152 R HA -0.129 4.267 4.340 0.093 0.000 0.231 152 R C 2.075 178.386 176.300 0.018 0.000 1.119 152 R CA 2.579 58.683 56.100 0.007 0.000 0.970 152 R CB 0.011 30.307 30.300 -0.007 0.000 0.864 152 R HN -0.221 7.979 8.270 -0.105 0.006 0.440 153 T N -0.572 113.977 114.554 -0.008 0.000 2.821 153 T HA -0.196 4.152 4.350 -0.003 0.000 0.267 153 T C 1.774 176.487 174.700 0.020 0.000 1.046 153 T CA 3.289 65.386 62.100 -0.005 0.000 1.139 153 T CB 0.029 68.880 68.868 -0.027 0.000 0.871 153 T HN -0.280 7.833 8.240 -0.032 0.108 0.454 154 T N 2.570 117.155 114.554 0.053 0.000 2.942 154 T HA -0.122 4.281 4.350 0.090 0.000 0.265 154 T C 0.830 175.629 174.700 0.165 0.000 1.062 154 T CA 2.628 64.807 62.100 0.132 0.000 1.139 154 T CB 0.024 69.009 68.868 0.196 0.000 0.883 154 T HN 0.118 8.180 8.240 0.042 0.203 0.468 155 L N -0.956 120.286 121.223 0.031 0.000 2.650 155 L HA -0.014 4.211 4.340 -0.192 0.000 0.235 155 L C -0.939 175.875 176.870 -0.093 0.000 1.149 155 L CA -0.169 54.584 54.840 -0.145 0.000 0.887 155 L CB -0.408 41.459 42.059 -0.319 0.000 1.021 155 L HN -0.412 7.832 8.230 0.023 0.000 0.441 156 E N 0.842 121.026 120.200 -0.026 0.000 2.344 156 E HA -0.148 4.174 4.350 -0.047 0.000 0.270 156 E C 0.796 177.381 176.600 -0.025 0.000 1.021 156 E CA 1.623 58.007 56.400 -0.028 0.000 0.887 156 E CB 0.177 29.872 29.700 -0.008 0.000 0.997 156 E HN -0.980 7.163 8.360 0.007 0.222 0.429 157 G N 5.075 113.852 108.800 -0.039 0.000 2.144 157 G HA2 -0.212 3.731 3.960 -0.028 0.000 0.218 157 G HA3 -0.212 3.740 3.960 -0.014 0.000 0.218 157 G C -0.790 174.087 174.900 -0.037 0.000 0.988 157 G CA -0.209 44.874 45.100 -0.028 0.000 0.659 157 G HN 0.257 8.517 8.290 -0.051 0.000 0.522 158 T N -1.903 112.610 114.554 -0.068 0.000 2.926 158 T HA 0.468 4.790 4.350 -0.047 0.000 0.289 158 T C -1.941 172.701 174.700 -0.098 0.000 1.054 158 T CA -3.750 58.305 62.100 -0.075 0.000 1.015 158 T CB 1.985 70.792 68.868 -0.101 0.000 1.167 158 T HN -0.747 7.398 8.240 -0.087 0.042 0.526 159 P HA 0.067 4.437 4.420 -0.083 0.000 0.253 159 P C -1.686 175.544 177.300 -0.117 0.000 1.281 159 P CA -0.311 62.741 63.100 -0.081 0.000 0.792 159 P CB -0.371 31.303 31.700 -0.044 0.000 1.193 160 A N 0.328 123.041 122.820 -0.178 0.000 2.444 160 A HA -0.057 4.208 4.320 -0.092 0.000 0.273 160 A C -0.229 177.047 177.584 -0.514 0.000 1.136 160 A CA 0.480 52.354 52.037 -0.273 0.000 0.799 160 A CB 0.280 18.998 19.000 -0.470 0.000 1.081 160 A HN -0.768 7.151 8.150 -0.179 0.124 0.509 161 T N 1.751 116.039 114.554 -0.443 0.000 2.930 161 T HA 0.239 4.123 4.350 -0.777 0.000 0.290 161 T C -1.831 172.566 174.700 -0.504 0.000 1.052 161 T CA -2.059 59.717 62.100 -0.540 0.000 1.017 161 T CB 2.262 71.003 68.868 -0.212 0.000 1.137 161 T HN -0.200 7.908 8.240 -0.219 0.000 0.511 162 Y N -1.302 119.032 120.300 0.057 0.000 2.545 162 Y HA 0.549 5.440 4.550 0.137 -0.259 0.348 162 Y C -0.173 175.783 175.900 0.094 0.000 1.002 162 Y CA -1.666 56.494 58.100 0.100 0.000 1.039 162 Y CB 3.395 41.915 38.460 0.101 0.000 1.271 162 Y HN -0.022 8.141 8.280 -0.194 0.000 0.467 163 Q N -0.041 119.925 119.800 0.277 0.000 2.340 163 Q HA 0.219 4.652 4.340 0.156 0.000 0.259 163 Q C 1.065 177.187 176.000 0.203 0.000 0.964 163 Q CA -1.563 54.353 55.803 0.189 0.000 0.900 163 Q CB -0.627 28.194 28.738 0.138 0.000 1.228 163 Q HN 0.063 8.525 8.270 0.321 0.000 0.449 164 G N 5.568 114.466 108.800 0.164 0.000 2.189 164 G HA2 -0.443 3.586 3.960 0.115 0.000 0.267 164 G HA3 -0.443 3.614 3.960 0.162 0.000 0.267 164 G C -1.017 174.013 174.900 0.217 0.000 0.975 164 G CA 0.399 45.597 45.100 0.163 0.000 0.644 164 G HN 0.741 9.114 8.290 0.138 0.000 0.537 165 D N -2.227 118.315 120.400 0.236 0.000 2.983 165 D HA -0.377 4.397 4.640 0.225 0.000 0.225 165 D C -0.410 176.012 176.300 0.203 0.000 1.174 165 D CA 0.952 55.073 54.000 0.203 0.000 0.831 165 D CB -0.755 40.142 40.800 0.162 0.000 1.104 165 D HN -0.056 8.371 8.370 0.256 0.096 0.421 166 V N -1.097 118.964 119.914 0.245 0.000 2.694 166 V HA -0.100 4.246 4.120 0.093 -0.170 0.306 166 V C -1.454 174.741 176.094 0.170 0.000 1.054 166 V CA 1.079 63.481 62.300 0.171 0.000 1.161 166 V CB 0.683 32.645 31.823 0.231 0.000 0.916 166 V HN -0.791 7.509 8.190 0.273 0.054 0.490 167 Y N 3.559 123.771 120.300 -0.146 0.000 2.553 167 Y HA 1.024 5.889 4.550 0.132 -0.235 0.347 167 Y C -2.337 173.409 175.900 -0.256 0.000 1.019 167 Y CA -3.878 54.181 58.100 -0.069 0.000 1.032 167 Y CB 2.493 40.907 38.460 -0.076 0.000 1.284 167 Y HN -0.137 7.905 8.280 -0.396 0.000 0.466 168 Y N -1.671 118.513 120.300 -0.193 0.000 2.429 168 Y HA 0.834 5.215 4.550 -0.677 -0.237 0.342 168 Y C -0.250 175.320 175.900 -0.550 0.000 1.004 168 Y CA -2.173 55.624 58.100 -0.505 0.000 1.075 168 Y CB 3.223 41.358 38.460 -0.543 0.000 1.214 168 Y HN 0.409 8.834 8.280 0.422 0.108 0.455 169 C N 2.450 121.255 119.300 -0.824 0.000 2.281 169 C HA 0.599 4.997 4.460 -0.321 -0.131 0.323 169 C C -1.072 173.505 174.990 -0.689 0.000 1.270 169 C CA -2.162 56.348 59.018 -0.848 0.000 1.559 169 C CB 0.555 27.329 27.740 -1.610 0.000 2.239 169 C HN 0.645 8.157 8.230 -1.197 0.000 0.488 170 A N 5.183 127.804 122.820 -0.331 0.000 2.330 170 A HA 1.158 5.505 4.320 -0.288 -0.199 0.327 170 A C -1.191 176.373 177.584 -0.033 0.000 1.155 170 A CA -2.501 49.374 52.037 -0.269 0.000 0.803 170 A CB 2.959 21.706 19.000 -0.422 0.000 1.208 170 A HN 1.140 9.109 8.150 -0.133 0.101 0.477 171 G N 1.219 109.999 108.800 -0.034 0.000 2.547 171 G HA2 0.412 4.573 3.960 0.064 0.000 0.291 171 G HA3 0.412 4.519 3.960 0.245 0.000 0.291 171 G C -1.325 173.601 174.900 0.043 0.000 1.471 171 G CA 0.711 45.865 45.100 0.089 0.000 0.798 171 G HN 0.275 8.507 8.290 -0.097 0.000 0.504 172 Y N -0.366 119.998 120.300 0.106 0.000 2.420 172 Y HA 0.033 4.649 4.550 0.111 0.000 0.292 172 Y C -0.158 175.815 175.900 0.121 0.000 1.119 172 Y CA 1.783 59.952 58.100 0.115 0.000 1.229 172 Y CB 0.762 39.294 38.460 0.120 0.000 1.026 172 Y HN 0.639 9.230 8.280 0.519 0.000 0.554 173 D N -5.022 115.552 120.400 0.291 0.000 2.570 173 D HA 0.326 5.053 4.640 0.146 0.000 0.244 173 D C -2.574 173.842 176.300 0.194 0.000 1.178 173 D CA -2.096 52.021 54.000 0.196 0.000 0.881 173 D CB 2.782 43.688 40.800 0.178 0.000 1.453 173 D HN -0.705 7.838 8.370 0.329 0.024 0.447 174 P HA 0.214 4.747 4.420 0.189 0.000 0.274 174 P C -2.344 175.065 177.300 0.181 0.000 1.291 174 P CA -1.067 62.117 63.100 0.140 0.000 0.815 174 P CB -0.567 31.157 31.700 0.039 0.000 0.897 175 P HA 0.121 4.825 4.420 0.242 -0.140 0.281 175 P C -0.211 177.205 177.300 0.193 0.000 1.252 175 P CA -0.757 62.486 63.100 0.238 0.000 0.778 175 P CB 1.266 33.120 31.700 0.257 0.000 0.895 176 M N 4.488 124.187 119.600 0.165 0.000 2.556 176 M HA -0.036 4.514 4.480 0.118 0.000 0.264 176 M C -0.104 176.262 176.300 0.110 0.000 1.163 176 M CA 2.739 58.113 55.300 0.123 0.000 1.186 176 M CB 0.624 33.283 32.600 0.097 0.000 1.321 176 M HN 0.473 8.874 8.290 0.184 0.000 0.485 177 K N -3.282 117.191 120.400 0.122 0.000 3.001 177 K HA 0.184 4.553 4.320 0.082 0.000 0.241 177 K C -2.061 174.612 176.600 0.121 0.000 2.102 177 K CA 0.423 56.752 56.287 0.068 0.000 1.314 177 K CB -0.408 32.074 32.500 -0.030 0.000 2.395 177 K HN -0.303 8.043 8.250 0.160 0.000 0.470 178 P HA 0.033 4.615 4.420 0.270 0.000 0.222 178 P C -0.884 176.418 177.300 0.003 0.000 1.157 178 P CA 1.089 64.239 63.100 0.084 0.000 0.816 178 P CB 0.709 32.347 31.700 -0.104 0.000 0.813 179 Y N -1.373 119.016 120.300 0.149 0.000 2.691 179 Y HA -0.090 4.519 4.550 0.098 0.000 0.338 179 Y C -1.265 174.719 175.900 0.139 0.000 1.148 179 Y CA 0.396 58.566 58.100 0.116 0.000 1.430 179 Y CB -1.375 37.136 38.460 0.085 0.000 1.303 179 Y HN -0.363 8.121 8.280 0.340 0.000 0.499 180 G N 0.949 109.870 108.800 0.203 0.000 3.487 180 G HA2 0.009 4.106 3.960 0.228 0.000 0.235 180 G HA3 0.009 4.099 3.960 0.217 0.000 0.235 180 G C -1.336 173.610 174.900 0.076 0.000 3.868 180 G CA 0.344 45.556 45.100 0.188 0.000 0.522 180 G HN -0.587 7.768 8.290 0.108 0.000 0.295 181 R N -0.347 120.154 120.500 0.001 0.000 2.206 181 R HA 0.270 4.703 4.340 -0.178 -0.199 0.198 181 R C -0.316 175.917 176.300 -0.111 0.000 0.986 181 R CA 0.706 56.730 56.100 -0.127 0.000 1.029 181 R CB 1.282 31.457 30.300 -0.209 0.000 0.966 181 R HN 0.252 8.541 8.270 0.031 0.000 0.487 182 R N -2.061 118.423 120.500 -0.027 0.000 2.387 182 R HA 0.405 4.648 4.340 -0.162 0.000 0.314 182 R C -1.607 174.619 176.300 -0.125 0.000 0.958 182 R CA -0.808 55.258 56.100 -0.056 0.000 0.846 182 R CB 1.613 31.987 30.300 0.123 0.000 1.147 182 R HN -0.350 7.958 8.270 0.063 0.000 0.447 183 N N 2.685 121.109 118.700 -0.461 0.000 2.416 183 N HA 0.630 5.410 4.740 -0.209 -0.165 0.276 183 N C -1.845 173.236 175.510 -0.716 0.000 1.261 183 N CA -0.208 52.508 53.050 -0.557 0.000 0.790 183 N CB 4.911 42.914 38.487 -0.806 0.000 1.554 183 N HN -0.128 7.873 8.380 -0.631 0.000 0.481 184 E N -1.089 118.936 120.200 -0.291 0.000 2.340 184 E HA 0.929 5.485 4.350 -0.058 -0.240 0.273 184 E C -1.727 174.995 176.600 0.204 0.000 0.891 184 E CA -1.314 55.073 56.400 -0.022 0.000 0.757 184 E CB 4.719 34.512 29.700 0.155 0.000 1.231 184 E HN 0.179 8.359 8.360 -0.123 0.107 0.439 185 V N 2.145 122.321 119.914 0.436 0.000 2.483 185 V HA 0.832 5.406 4.120 0.269 -0.292 0.297 185 V C -1.216 175.183 176.094 0.509 0.000 1.027 185 V CA -1.485 61.066 62.300 0.419 0.000 0.855 185 V CB 2.544 34.628 31.823 0.436 0.000 0.995 185 V HN 0.313 8.791 8.190 0.480 0.000 0.424 186 W N 7.086 128.440 121.300 0.090 0.000 2.417 186 W HA 0.745 5.654 4.660 -0.006 -0.253 0.315 186 W C -0.648 175.956 176.519 0.142 0.000 1.045 186 W CA -3.622 53.730 57.345 0.012 0.000 1.221 186 W CB 1.000 30.311 29.460 -0.249 0.000 1.309 186 W HN 0.600 8.872 8.180 0.333 0.109 0.453 187 L N 3.262 124.683 121.223 0.329 0.000 2.309 187 L HA 0.593 5.284 4.340 0.272 -0.187 0.282 187 L C -0.726 176.366 176.870 0.369 0.000 1.036 187 L CA -1.029 53.977 54.840 0.278 0.000 0.806 187 L CB 2.263 44.342 42.059 0.033 0.000 1.220 187 L HN 1.043 9.349 8.230 0.299 0.104 0.429 188 V N 2.575 122.707 119.914 0.364 0.000 2.427 188 V HA 0.284 4.635 4.120 0.128 -0.154 0.286 188 V C -0.937 175.399 176.094 0.403 0.000 1.034 188 V CA -1.208 61.261 62.300 0.282 0.000 0.893 188 V CB 1.030 33.004 31.823 0.252 0.000 0.982 188 V HN -0.074 8.326 8.190 0.350 0.000 0.452 189 K N 7.410 127.994 120.400 0.307 0.000 2.412 189 K HA 0.144 5.017 4.320 0.441 -0.289 0.281 189 K C 0.049 176.750 176.600 0.168 0.000 1.027 189 K CA -0.485 55.990 56.287 0.313 0.000 0.989 189 K CB 1.244 33.863 32.500 0.198 0.000 0.935 189 K HN -0.328 7.969 8.250 0.078 0.000 0.475 190 A N 0.000 122.902 122.820 0.137 0.000 2.254 190 A HA 0.000 4.440 4.320 0.127 -0.044 0.244 190 A CA 0.000 52.094 52.037 0.095 0.000 0.836 190 A CB 0.000 19.032 19.000 0.053 0.000 0.831 190 A HN 0.000 8.138 8.150 0.120 0.084 0.486