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 2qks_1_B DATA FIRST_RESID 5 DATA SEQUENCE RQRFVDKNGR CNVXXXXXXX XXXXXXXDLF TTLVDLKWRW FFVSLAVLFL DATA SEQUENCE LLNTAFATLY MLGSAPIANQ FPAGFGGAFF FSVETLATVG YGDMHPQTVY DATA SEQUENCE AHWIATLEIF VGMSSIALAT GCAFIKMSQX XXXXXTLMFS EHAVISMRDG DATA SEQUENCE KLTLMFRVGN LRNSHMVSAQ IRCKLLKSRQ TPEGEFLPLD QLELDVGFST DATA SEQUENCE GADQLFLVSP LTICHVIDAK SPFYDLSQRS MQTEQFEVVV ILEGIVETTG DATA SEQUENCE MTCQARTSYT EDEVLWGHRF FPVISLEEGF FKVDYSQFHA TFEVPTPPYS DATA SEQUENCE VKEQEEMLLM SSPL 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.228 176.300 -0.121 0.000 0.893 5 R CA 0.000 56.051 56.100 -0.082 0.000 0.921 5 R CB 0.000 30.256 30.300 -0.074 0.000 0.687 6 Q N 2.105 121.804 119.800 -0.169 0.000 2.314 6 Q HA 0.383 4.723 4.340 -0.000 0.000 0.257 6 Q C 0.032 175.787 176.000 -0.409 0.000 0.975 6 Q CA -0.314 55.342 55.803 -0.244 0.000 0.933 6 Q CB 0.628 29.219 28.738 -0.246 0.000 1.195 6 Q HN 0.692 nan 8.270 nan 0.000 0.426 7 R N 2.514 122.822 120.500 -0.319 0.000 2.500 7 R HA 0.278 4.617 4.340 -0.000 0.000 0.275 7 R C -0.343 175.720 176.300 -0.396 0.000 1.051 7 R CA -0.386 55.524 56.100 -0.318 0.000 1.088 7 R CB 0.375 30.599 30.300 -0.128 0.000 1.063 7 R HN 0.551 nan 8.270 nan 0.000 0.511 8 F N 0.586 120.523 119.950 -0.021 0.000 2.512 8 F HA 0.125 4.652 4.527 -0.000 0.000 0.296 8 F C 0.492 176.270 175.800 -0.036 0.000 1.110 8 F CA 0.167 58.153 58.000 -0.023 0.000 1.446 8 F CB 0.530 39.520 39.000 -0.018 0.000 1.092 8 F HN 0.121 nan 8.300 nan 0.000 0.554 9 V N 0.228 120.196 119.914 0.090 0.000 2.686 9 V HA 0.240 4.360 4.120 -0.000 0.000 0.306 9 V C -0.661 175.406 176.094 -0.047 0.000 1.065 9 V CA -1.351 60.956 62.300 0.012 0.000 0.894 9 V CB 1.875 33.694 31.823 -0.007 0.000 1.004 9 V HN -0.140 nan 8.190 nan 0.000 0.424 10 D N 3.016 123.381 120.400 -0.058 0.000 2.358 10 D HA 0.237 4.877 4.640 -0.000 0.000 0.244 10 D C 0.955 177.190 176.300 -0.108 0.000 1.163 10 D CA -0.498 53.457 54.000 -0.074 0.000 0.945 10 D CB 1.184 41.951 40.800 -0.055 0.000 1.152 10 D HN 0.322 nan 8.370 nan 0.000 0.451 11 K N 0.982 121.313 120.400 -0.115 0.000 2.218 11 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 11 K C 1.162 177.697 176.600 -0.109 0.000 1.046 11 K CA 0.860 57.056 56.287 -0.152 0.000 0.933 11 K CB -0.278 32.157 32.500 -0.109 0.000 0.728 11 K HN 0.480 nan 8.250 nan 0.000 0.454 12 N N -0.280 118.385 118.700 -0.058 0.000 2.461 12 N HA -0.031 4.709 4.740 -0.000 0.000 0.188 12 N C 1.165 176.665 175.510 -0.016 0.000 1.134 12 N CA 1.023 54.065 53.050 -0.014 0.000 0.878 12 N CB 0.429 38.914 38.487 -0.004 0.000 0.972 12 N HN 0.266 nan 8.380 nan 0.000 0.456 13 G N -0.842 107.921 108.800 -0.062 0.000 2.213 13 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.236 13 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.236 13 G C 0.417 175.296 174.900 -0.034 0.000 0.991 13 G CA 0.219 45.285 45.100 -0.057 0.000 0.629 13 G HN 0.837 nan 8.290 nan 0.000 0.517 14 R N -0.316 120.167 120.500 -0.027 0.000 2.442 14 R HA 0.595 4.935 4.340 -0.000 0.000 0.291 14 R C 0.780 177.072 176.300 -0.014 0.000 1.069 14 R CA 0.502 56.591 56.100 -0.017 0.000 1.022 14 R CB -0.097 30.192 30.300 -0.017 0.000 0.976 14 R HN 1.392 nan 8.270 nan 0.000 0.443 15 C N 2.725 122.024 119.300 -0.002 0.000 2.527 15 C HA 0.336 4.795 4.460 -0.000 0.000 0.396 15 C C 0.258 175.257 174.990 0.016 0.000 1.289 15 C CA -0.707 58.320 59.018 0.016 0.000 2.047 15 C CB -0.009 27.744 27.740 0.021 0.000 2.568 15 C HN 0.885 nan 8.230 nan 0.000 0.573 16 N N 4.173 122.890 118.700 0.027 0.000 2.455 16 N HA 0.118 4.858 4.740 -0.000 0.000 0.258 16 N C 0.201 175.729 175.510 0.031 0.000 1.158 16 N CA -0.007 53.048 53.050 0.009 0.000 0.893 16 N CB 0.381 38.849 38.487 -0.031 0.000 1.173 16 N HN 0.484 nan 8.380 nan 0.000 0.503 33 L N 0.792 122.070 121.223 0.092 0.000 2.465 33 L HA 0.240 4.580 4.340 -0.000 0.000 0.224 33 L C 1.981 178.919 176.870 0.114 0.000 1.145 33 L CA 0.858 55.745 54.840 0.079 0.000 0.834 33 L CB -0.794 41.309 42.059 0.072 0.000 0.944 33 L HN 0.131 nan 8.230 nan 0.000 0.451 34 F N -0.065 119.891 119.950 0.011 0.000 2.060 34 F HA -0.202 4.325 4.527 -0.000 0.000 0.295 34 F C 2.300 178.101 175.800 0.002 0.000 1.120 34 F CA 2.180 60.189 58.000 0.015 0.000 1.205 34 F CB -0.807 38.202 39.000 0.014 0.000 0.986 34 F HN 0.045 nan 8.300 nan 0.000 0.470 35 T N -0.264 114.245 114.554 -0.076 0.000 2.788 35 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 35 T C 1.841 176.428 174.700 -0.189 0.000 1.044 35 T CA 1.923 63.908 62.100 -0.192 0.000 1.139 35 T CB -0.718 68.129 68.868 -0.035 0.000 0.867 35 T HN 0.336 nan 8.240 nan 0.000 0.454 36 T N 2.634 117.128 114.554 -0.101 0.000 2.622 36 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 36 T C 1.889 176.529 174.700 -0.100 0.000 1.047 36 T CA 1.136 63.188 62.100 -0.080 0.000 1.159 36 T CB -0.613 68.234 68.868 -0.035 0.000 0.863 36 T HN 0.145 nan 8.240 nan 0.000 0.422 37 L N 1.494 122.661 121.223 -0.093 0.000 1.990 37 L HA -0.089 4.251 4.340 -0.000 0.000 0.213 37 L C 2.496 179.301 176.870 -0.109 0.000 1.072 37 L CA 1.645 56.462 54.840 -0.038 0.000 0.755 37 L CB -0.937 41.125 42.059 0.005 0.000 0.889 37 L HN 0.118 nan 8.230 nan 0.000 0.432 38 V N -0.193 119.523 119.914 -0.330 0.000 2.343 38 V HA -0.297 3.822 4.120 -0.000 0.000 0.247 38 V C 2.382 178.233 176.094 -0.405 0.000 1.051 38 V CA 2.001 64.016 62.300 -0.475 0.000 1.036 38 V CB -0.872 30.592 31.823 -0.599 0.000 0.654 38 V HN 0.496 nan 8.190 nan 0.000 0.451 39 D N 0.022 120.253 120.400 -0.282 0.000 2.149 39 D HA -0.061 4.578 4.640 -0.000 0.000 0.198 39 D C 1.041 177.226 176.300 -0.191 0.000 0.990 39 D CA 0.547 54.418 54.000 -0.215 0.000 0.839 39 D CB -0.172 40.541 40.800 -0.144 0.000 0.948 39 D HN 0.313 nan 8.370 nan 0.000 0.460 40 L N 0.953 122.091 121.223 -0.141 0.000 2.536 40 L HA -0.047 4.293 4.340 -0.000 0.000 0.294 40 L C 1.137 177.953 176.870 -0.090 0.000 1.257 40 L CA 0.199 55.015 54.840 -0.041 0.000 0.850 40 L CB -0.074 42.029 42.059 0.073 0.000 1.105 40 L HN -0.025 nan 8.230 nan 0.000 0.517 41 K N 2.033 122.487 120.400 0.091 0.000 2.219 41 K HA 0.001 4.321 4.320 -0.000 0.000 0.258 41 K C 0.449 177.099 176.600 0.083 0.000 1.008 41 K CA 0.088 56.414 56.287 0.065 0.000 0.928 41 K CB -0.189 32.465 32.500 0.256 0.000 0.983 41 K HN 0.702 nan 8.250 nan 0.000 0.484 42 W N 0.579 121.916 121.300 0.061 0.000 2.318 42 W HA -0.268 4.392 4.660 -0.000 0.000 0.313 42 W C 3.079 179.697 176.519 0.165 0.000 1.221 42 W CA 2.632 60.028 57.345 0.086 0.000 1.266 42 W CB -0.216 29.304 29.460 0.101 0.000 1.150 42 W HN 0.889 nan 8.180 nan 0.000 0.496 43 R N -0.273 120.383 120.500 0.259 0.000 2.103 43 R HA -0.209 4.130 4.340 -0.000 0.000 0.242 43 R C 1.555 177.769 176.300 -0.143 0.000 1.142 43 R CA 1.953 58.026 56.100 -0.043 0.000 0.960 43 R CB -2.113 27.950 30.300 -0.395 0.000 0.858 43 R HN 0.588 nan 8.270 nan 0.000 0.439 44 W N -1.503 119.911 121.300 0.189 0.000 2.737 44 W HA 0.219 4.878 4.660 -0.000 0.000 0.262 44 W C 1.853 178.439 176.519 0.112 0.000 1.282 44 W CA -0.277 57.141 57.345 0.123 0.000 1.386 44 W CB -0.198 29.303 29.460 0.068 0.000 1.099 44 W HN 0.322 nan 8.180 nan 0.000 0.621 45 F N 0.003 120.029 119.950 0.127 0.000 2.113 45 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 45 F C 1.886 177.650 175.800 -0.061 0.000 1.103 45 F CA 1.501 59.461 58.000 -0.067 0.000 1.248 45 F CB -0.820 38.011 39.000 -0.281 0.000 0.999 45 F HN -0.215 nan 8.300 nan 0.000 0.475 46 F N 0.051 120.086 119.950 0.142 0.000 2.163 46 F HA -0.093 4.434 4.527 -0.000 0.000 0.297 46 F C 2.436 178.221 175.800 -0.024 0.000 1.094 46 F CA 1.263 59.255 58.000 -0.014 0.000 1.290 46 F CB -1.260 37.803 39.000 0.105 0.000 1.017 46 F HN -0.229 nan 8.300 nan 0.000 0.483 47 V N -1.247 118.795 119.914 0.212 0.000 2.568 47 V HA -0.281 3.839 4.120 -0.000 0.000 0.253 47 V C 2.497 178.684 176.094 0.155 0.000 1.072 47 V CA 1.993 64.397 62.300 0.172 0.000 1.084 47 V CB -0.777 31.159 31.823 0.189 0.000 0.676 47 V HN 0.379 nan 8.190 nan 0.000 0.469 48 S N -0.638 115.124 115.700 0.103 0.000 2.377 48 S HA -0.021 4.449 4.470 -0.000 0.000 0.223 48 S C 1.871 176.461 174.600 -0.017 0.000 1.030 48 S CA 1.096 59.321 58.200 0.041 0.000 0.970 48 S CB -0.153 63.043 63.200 -0.007 0.000 0.830 48 S HN 0.528 nan 8.310 nan 0.000 0.473 49 L N 1.135 122.287 121.223 -0.119 0.000 2.093 49 L HA -0.025 4.314 4.340 -0.000 0.000 0.208 49 L C 2.893 179.810 176.870 0.078 0.000 1.085 49 L CA 1.108 55.898 54.840 -0.083 0.000 0.755 49 L CB -0.707 41.242 42.059 -0.184 0.000 0.904 49 L HN 0.381 nan 8.230 nan 0.000 0.435 50 A N -0.148 122.740 122.820 0.114 0.000 1.940 50 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 50 A C 2.342 180.074 177.584 0.246 0.000 1.176 50 A CA 1.763 53.916 52.037 0.194 0.000 0.631 50 A CB -0.766 18.333 19.000 0.165 0.000 0.814 50 A HN 0.198 nan 8.150 nan 0.000 0.446 51 V N -0.326 119.691 119.914 0.173 0.000 2.295 51 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 51 V C 2.487 178.676 176.094 0.159 0.000 1.049 51 V CA 1.957 64.351 62.300 0.155 0.000 1.024 51 V CB -0.790 31.103 31.823 0.117 0.000 0.648 51 V HN 0.604 nan 8.190 nan 0.000 0.447 52 L N -0.410 120.901 121.223 0.147 0.000 2.046 52 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 52 L C 2.160 179.151 176.870 0.202 0.000 1.077 52 L CA 1.983 56.909 54.840 0.144 0.000 0.747 52 L CB -0.888 41.239 42.059 0.114 0.000 0.896 52 L HN 0.329 nan 8.230 nan 0.000 0.432 53 F N -0.086 119.909 119.950 0.076 0.000 2.069 53 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 53 F C 2.122 177.994 175.800 0.120 0.000 1.113 53 F CA 2.042 60.090 58.000 0.080 0.000 1.214 53 F CB -0.544 38.498 39.000 0.071 0.000 0.978 53 F HN 0.063 nan 8.300 nan 0.000 0.474 54 L N -0.430 120.884 121.223 0.152 0.000 2.083 54 L HA -0.246 4.094 4.340 -0.000 0.000 0.209 54 L C 2.537 179.494 176.870 0.146 0.000 1.083 54 L CA 1.143 56.066 54.840 0.138 0.000 0.752 54 L CB -0.812 41.379 42.059 0.220 0.000 0.899 54 L HN 0.240 nan 8.230 nan 0.000 0.433 55 L N -0.625 120.671 121.223 0.122 0.000 2.027 55 L HA -0.223 4.116 4.340 -0.000 0.000 0.206 55 L C 2.542 179.470 176.870 0.097 0.000 1.074 55 L CA 1.168 56.072 54.840 0.107 0.000 0.745 55 L CB -0.453 41.659 42.059 0.087 0.000 0.898 55 L HN 0.248 nan 8.230 nan 0.000 0.433 56 L N -0.252 121.025 121.223 0.089 0.000 2.046 56 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 56 L C 2.114 179.080 176.870 0.160 0.000 1.077 56 L CA 1.672 56.593 54.840 0.135 0.000 0.747 56 L CB -0.557 41.606 42.059 0.173 0.000 0.896 56 L HN 0.364 nan 8.230 nan 0.000 0.432 57 N N -1.394 117.294 118.700 -0.021 0.000 2.188 57 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 57 N C 1.635 177.215 175.510 0.117 0.000 1.018 57 N CA 1.516 54.478 53.050 -0.147 0.000 0.858 57 N CB 0.025 38.100 38.487 -0.686 0.000 0.989 57 N HN 0.200 nan 8.380 nan 0.000 0.426 58 T N 0.224 114.960 114.554 0.303 0.000 2.821 58 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 58 T C 2.004 176.878 174.700 0.290 0.000 1.046 58 T CA 1.141 63.497 62.100 0.427 0.000 1.139 58 T CB -0.280 68.775 68.868 0.311 0.000 0.871 58 T HN 0.313 nan 8.240 nan 0.000 0.454 59 A N 0.937 123.835 122.820 0.130 0.000 1.858 59 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 59 A C 1.951 179.468 177.584 -0.113 0.000 1.190 59 A CA 1.294 53.317 52.037 -0.023 0.000 0.617 59 A CB -1.005 17.901 19.000 -0.157 0.000 0.827 59 A HN 0.451 nan 8.150 nan 0.000 0.443 60 F N 0.209 120.143 119.950 -0.028 0.000 2.234 60 F HA -0.028 4.499 4.527 -0.000 0.000 0.299 60 F C 2.745 178.492 175.800 -0.087 0.000 1.087 60 F CA 0.798 58.720 58.000 -0.130 0.000 1.340 60 F CB -0.407 38.510 39.000 -0.139 0.000 1.031 60 F HN 0.260 nan 8.300 nan 0.000 0.500 61 A N 0.025 122.940 122.820 0.158 0.000 1.908 61 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 61 A C 2.330 179.943 177.584 0.048 0.000 1.181 61 A CA 2.429 54.477 52.037 0.020 0.000 0.627 61 A CB -1.457 17.286 19.000 -0.428 0.000 0.818 61 A HN 0.429 nan 8.150 nan 0.000 0.445 62 T N -1.552 113.120 114.554 0.197 0.000 2.821 62 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 62 T C 1.853 176.652 174.700 0.165 0.000 1.046 62 T CA 1.365 63.640 62.100 0.292 0.000 1.139 62 T CB -0.599 68.427 68.868 0.263 0.000 0.871 62 T HN 0.299 nan 8.240 nan 0.000 0.454 63 L N -0.812 120.445 121.223 0.056 0.000 2.046 63 L HA -0.063 4.276 4.340 -0.000 0.000 0.208 63 L C 2.784 179.744 176.870 0.150 0.000 1.077 63 L CA 1.673 56.534 54.840 0.035 0.000 0.747 63 L CB -0.734 41.243 42.059 -0.136 0.000 0.896 63 L HN 0.204 nan 8.230 nan 0.000 0.432 64 Y N -0.961 119.462 120.300 0.205 0.000 2.181 64 Y HA -0.242 4.307 4.550 -0.000 0.000 0.288 64 Y C 2.644 178.681 175.900 0.229 0.000 1.146 64 Y CA 1.012 59.242 58.100 0.216 0.000 1.164 64 Y CB -0.427 38.122 38.460 0.148 0.000 0.982 64 Y HN 0.117 nan 8.280 nan 0.000 0.515 65 M N -0.508 119.280 119.600 0.315 0.000 2.358 65 M HA -0.175 4.304 4.480 -0.000 0.000 0.264 65 M C 1.953 178.363 176.300 0.183 0.000 1.064 65 M CA 1.247 56.684 55.300 0.229 0.000 1.093 65 M CB -1.226 31.516 32.600 0.237 0.000 1.401 65 M HN 0.347 nan 8.290 nan 0.000 0.440 66 L N -1.007 120.333 121.223 0.195 0.000 2.275 66 L HA -0.038 4.302 4.340 -0.000 0.000 0.215 66 L C 1.412 178.263 176.870 -0.031 0.000 1.119 66 L CA 0.236 55.125 54.840 0.082 0.000 0.790 66 L CB -0.976 41.131 42.059 0.081 0.000 0.919 66 L HN 0.258 nan 8.230 nan 0.000 0.443 67 G N -0.627 108.216 108.800 0.072 0.000 2.491 67 G HA2 0.408 4.368 3.960 -0.000 0.000 0.327 67 G HA3 0.408 4.368 3.960 -0.000 0.000 0.327 67 G C -0.510 174.429 174.900 0.066 0.000 1.189 67 G CA -0.270 44.812 45.100 -0.031 0.000 0.956 67 G HN 0.141 nan 8.290 nan 0.000 0.491 68 S N -1.010 114.714 115.700 0.040 0.000 2.480 68 S HA 0.520 4.990 4.470 -0.000 0.000 0.286 68 S C 0.728 175.357 174.600 0.048 0.000 1.180 68 S CA 0.361 58.585 58.200 0.040 0.000 1.075 68 S CB 1.370 64.581 63.200 0.018 0.000 0.996 68 S HN 2.325 nan 8.310 nan 0.000 0.487 69 A N 3.172 126.010 122.820 0.030 0.000 2.462 69 A HA -0.103 4.217 4.320 -0.000 0.000 0.294 69 A C -0.459 177.116 177.584 -0.015 0.000 1.461 69 A CA 0.647 52.683 52.037 -0.002 0.000 0.765 69 A CB -1.763 17.232 19.000 -0.008 0.000 1.071 69 A HN 0.803 nan 8.150 nan 0.000 0.401 70 P HA 0.008 nan 4.420 nan 0.000 0.219 70 P C 0.496 177.678 177.300 -0.196 0.000 1.150 70 P CA 1.053 64.159 63.100 0.010 0.000 0.814 70 P CB 0.076 31.872 31.700 0.161 0.000 0.787 71 I N 0.080 120.475 120.570 -0.291 0.000 2.378 71 I HA 0.390 4.560 4.170 -0.000 0.000 0.291 71 I C 0.469 176.334 176.117 -0.420 0.000 0.992 71 I CA -1.405 59.581 61.300 -0.523 0.000 1.154 71 I CB 1.808 39.398 38.000 -0.683 0.000 1.315 71 I HN -0.141 nan 8.210 nan 0.000 0.448 72 A N 5.231 127.715 122.820 -0.559 0.000 2.445 72 A HA 0.184 4.504 4.320 -0.000 0.000 0.242 72 A C 0.841 178.225 177.584 -0.333 0.000 1.075 72 A CA -0.165 51.586 52.037 -0.476 0.000 0.777 72 A CB -0.097 18.400 19.000 -0.838 0.000 1.013 72 A HN 0.930 nan 8.150 nan 0.000 0.493 73 N N 0.114 118.709 118.700 -0.175 0.000 2.708 73 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 73 N C 0.061 175.556 175.510 -0.025 0.000 1.017 73 N CA 1.430 54.435 53.050 -0.075 0.000 0.742 73 N CB -1.045 37.410 38.487 -0.054 0.000 0.943 73 N HN 0.916 nan 8.380 nan 0.000 0.539 74 Q N -0.125 119.642 119.800 -0.055 0.000 2.239 74 Q HA 0.168 4.508 4.340 -0.000 0.000 0.286 74 Q C -0.876 175.209 176.000 0.141 0.000 1.102 74 Q CA 0.470 56.266 55.803 -0.011 0.000 0.936 74 Q CB 0.134 28.838 28.738 -0.056 0.000 1.127 74 Q HN 0.314 nan 8.270 nan 0.000 0.380 75 F N 7.643 127.608 119.950 0.025 0.000 2.573 75 F HA 0.573 5.099 4.527 -0.000 0.000 0.316 75 F C -2.557 173.341 175.800 0.163 0.000 1.148 75 F CA -2.433 55.607 58.000 0.066 0.000 0.940 75 F CB 1.636 40.656 39.000 0.033 0.000 1.214 75 F HN 0.451 nan 8.300 nan 0.000 0.448 76 P HA 0.332 nan 4.420 nan 0.000 0.276 76 P C -0.903 176.336 177.300 -0.102 0.000 1.261 76 P CA -0.374 62.354 63.100 -0.620 0.000 0.800 76 P CB 0.971 32.331 31.700 -0.567 0.000 1.066 77 A N 0.476 123.306 122.820 0.017 0.000 2.466 77 A HA 0.485 4.805 4.320 -0.000 0.000 0.238 77 A C 0.979 178.582 177.584 0.032 0.000 1.074 77 A CA 0.990 53.053 52.037 0.043 0.000 0.774 77 A CB -1.382 17.655 19.000 0.062 0.000 1.015 77 A HN 0.981 nan 8.150 nan 0.000 0.498 78 G N -0.135 108.694 108.800 0.047 0.000 2.615 78 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 78 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 78 G C 0.450 175.414 174.900 0.105 0.000 1.339 78 G CA 0.494 45.645 45.100 0.084 0.000 0.884 78 G HN 1.634 nan 8.290 nan 0.000 0.559 79 F N 2.094 122.050 119.950 0.010 0.000 2.154 79 F HA -0.031 4.496 4.527 -0.000 0.000 0.301 79 F C 2.693 178.491 175.800 -0.003 0.000 1.087 79 F CA 3.411 61.422 58.000 0.018 0.000 1.274 79 F CB -0.575 38.419 39.000 -0.012 0.000 1.009 79 F HN 0.753 nan 8.300 nan 0.000 0.485 80 G N -0.590 108.260 108.800 0.084 0.000 2.446 80 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 80 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 80 G C 1.933 176.776 174.900 -0.095 0.000 1.168 80 G CA 0.780 45.839 45.100 -0.067 0.000 0.771 80 G HN 0.602 nan 8.290 nan 0.000 0.551 81 G N 0.888 109.679 108.800 -0.015 0.000 2.408 81 G HA2 0.095 4.054 3.960 -0.000 0.000 0.217 81 G HA3 0.095 4.054 3.960 -0.000 0.000 0.217 81 G C 2.031 176.953 174.900 0.037 0.000 1.150 81 G CA 1.426 46.563 45.100 0.062 0.000 0.776 81 G HN 0.664 nan 8.290 nan 0.000 0.542 82 A N 0.255 123.037 122.820 -0.064 0.000 1.972 82 A HA 0.091 4.410 4.320 -0.000 0.000 0.219 82 A C 2.111 179.641 177.584 -0.091 0.000 1.169 82 A CA 1.448 53.446 52.037 -0.064 0.000 0.635 82 A CB -0.467 18.476 19.000 -0.095 0.000 0.810 82 A HN 0.394 nan 8.150 nan 0.000 0.446 83 F N -0.384 119.304 119.950 -0.436 0.000 2.113 83 F HA -0.075 4.452 4.527 -0.000 0.000 0.297 83 F C 1.802 177.432 175.800 -0.282 0.000 1.103 83 F CA 1.505 59.221 58.000 -0.474 0.000 1.248 83 F CB -0.328 38.269 39.000 -0.673 0.000 0.999 83 F HN 0.203 nan 8.300 nan 0.000 0.475 84 F N -0.630 119.325 119.950 0.008 0.000 2.234 84 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 84 F C 2.225 178.002 175.800 -0.039 0.000 1.087 84 F CA 0.955 58.937 58.000 -0.030 0.000 1.340 84 F CB -1.521 37.547 39.000 0.114 0.000 1.031 84 F HN 0.091 nan 8.300 nan 0.000 0.500 85 F N 0.242 120.200 119.950 0.013 0.000 2.186 85 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 85 F C 2.616 178.337 175.800 -0.132 0.000 1.090 85 F CA 1.353 59.308 58.000 -0.075 0.000 1.307 85 F CB -0.859 38.010 39.000 -0.217 0.000 1.019 85 F HN -0.046 nan 8.300 nan 0.000 0.489 86 S N -0.261 115.252 115.700 -0.311 0.000 2.368 86 S HA -0.148 4.321 4.470 -0.000 0.000 0.225 86 S C 2.160 176.511 174.600 -0.415 0.000 1.030 86 S CA 1.621 59.624 58.200 -0.329 0.000 0.999 86 S CB -0.845 62.254 63.200 -0.168 0.000 0.844 86 S HN 0.207 nan 8.310 nan 0.000 0.459 87 V N 3.036 122.697 119.914 -0.421 0.000 2.255 87 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 87 V C 2.636 178.646 176.094 -0.141 0.000 1.051 87 V CA 2.407 64.529 62.300 -0.296 0.000 1.018 87 V CB -1.045 30.679 31.823 -0.166 0.000 0.641 87 V HN 0.836 nan 8.190 nan 0.000 0.445 88 E N -0.535 119.578 120.200 -0.144 0.000 2.338 88 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 88 E C 1.847 178.280 176.600 -0.278 0.000 1.007 88 E CA 1.674 57.969 56.400 -0.175 0.000 0.849 88 E CB -0.289 29.368 29.700 -0.072 0.000 0.774 88 E HN 0.575 nan 8.360 nan 0.000 0.506 89 T N 0.868 115.173 114.554 -0.415 0.000 2.866 89 T HA -0.004 4.346 4.350 -0.000 0.000 0.250 89 T C 1.630 176.159 174.700 -0.285 0.000 1.033 89 T CA 0.582 62.426 62.100 -0.427 0.000 1.145 89 T CB -0.215 68.249 68.868 -0.672 0.000 0.866 89 T HN 0.070 nan 8.240 nan 0.000 0.434 90 L N 1.612 122.667 121.223 -0.280 0.000 2.042 90 L HA 0.042 4.381 4.340 -0.000 0.000 0.210 90 L C 2.267 179.095 176.870 -0.070 0.000 1.076 90 L CA 1.744 56.465 54.840 -0.197 0.000 0.749 90 L CB -0.568 41.391 42.059 -0.167 0.000 0.893 90 L HN 0.249 nan 8.230 nan 0.000 0.432 91 A N -1.898 120.909 122.820 -0.022 0.000 2.251 91 A HA 0.153 4.473 4.320 -0.000 0.000 0.209 91 A C 1.164 178.702 177.584 -0.078 0.000 1.187 91 A CA 0.803 52.834 52.037 -0.011 0.000 0.823 91 A CB -0.951 18.068 19.000 0.033 0.000 0.846 91 A HN 0.732 nan 8.150 nan 0.000 0.486 92 T N -4.378 110.109 114.554 -0.112 0.000 4.146 92 T HA -0.206 4.144 4.350 -0.000 0.000 0.336 92 T C 0.887 175.503 174.700 -0.140 0.000 0.762 92 T CA 0.896 62.925 62.100 -0.117 0.000 1.914 92 T CB -2.887 65.930 68.868 -0.085 0.000 1.897 92 T HN 0.498 nan 8.240 nan 0.000 0.862 93 V N 0.826 120.624 119.914 -0.195 0.000 2.302 93 V HA 0.319 4.439 4.120 -0.000 0.000 0.243 93 V C 2.597 178.512 176.094 -0.297 0.000 1.036 93 V CA 1.604 63.727 62.300 -0.295 0.000 1.020 93 V CB -1.279 30.264 31.823 -0.467 0.000 0.657 93 V HN 1.901 nan 8.190 nan 0.000 0.453 94 G N -0.614 108.036 108.800 -0.251 0.000 2.350 94 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.298 94 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.298 94 G C 0.213 175.095 174.900 -0.031 0.000 1.037 94 G CA 0.697 45.732 45.100 -0.108 0.000 1.074 94 G HN 0.419 nan 8.290 nan 0.000 0.511 95 Y N -0.270 120.059 120.300 0.049 0.000 2.139 95 Y HA 0.023 4.572 4.550 -0.000 0.000 0.282 95 Y C 2.870 178.815 175.900 0.075 0.000 1.179 95 Y CA 2.163 60.295 58.100 0.054 0.000 1.161 95 Y CB -0.433 38.064 38.460 0.062 0.000 0.970 95 Y HN 1.384 nan 8.280 nan 0.000 0.511 96 G N -0.785 108.189 108.800 0.289 0.000 2.179 96 G HA2 -0.441 3.519 3.960 -0.000 0.000 0.260 96 G HA3 -0.441 3.519 3.960 -0.000 0.000 0.260 96 G C 0.924 175.994 174.900 0.283 0.000 0.977 96 G CA 0.811 46.060 45.100 0.248 0.000 0.641 96 G HN 0.458 nan 8.290 nan 0.000 0.533 97 D N -0.172 120.369 120.400 0.236 0.000 2.117 97 D HA 0.057 4.697 4.640 -0.000 0.000 0.197 97 D C 1.633 178.028 176.300 0.159 0.000 0.987 97 D CA 0.972 55.075 54.000 0.170 0.000 0.829 97 D CB -0.028 40.822 40.800 0.083 0.000 0.961 97 D HN 0.513 nan 8.370 nan 0.000 0.460 98 M N 0.625 120.307 119.600 0.135 0.000 2.233 98 M HA 0.274 4.754 4.480 -0.000 0.000 0.355 98 M C -0.655 175.608 176.300 -0.062 0.000 1.191 98 M CA -0.337 54.913 55.300 -0.083 0.000 1.101 98 M CB 1.642 34.227 32.600 -0.025 0.000 1.592 98 M HN 0.229 nan 8.290 nan 0.000 0.461 99 H N 1.157 120.008 119.070 -0.365 0.000 3.003 99 H HA 0.466 5.021 4.556 -0.000 0.000 0.327 99 H C -3.260 171.768 175.328 -0.499 0.000 1.353 99 H CA -2.271 53.602 56.048 -0.291 0.000 1.142 99 H CB 0.560 30.295 29.762 -0.044 0.000 1.864 99 H HN 0.287 nan 8.280 nan 0.000 0.529 100 P HA 0.036 nan 4.420 nan 0.000 0.264 100 P C 0.299 177.381 177.300 -0.363 0.000 1.193 100 P CA 0.532 63.341 63.100 -0.486 0.000 0.763 100 P CB 0.800 32.016 31.700 -0.807 0.000 0.810 101 Q N 0.801 120.427 119.800 -0.291 0.000 2.245 101 Q HA 0.095 4.435 4.340 -0.000 0.000 0.236 101 Q C 0.199 176.181 176.000 -0.030 0.000 0.842 101 Q CA 0.388 56.112 55.803 -0.132 0.000 0.945 101 Q CB 0.658 29.297 28.738 -0.166 0.000 1.122 101 Q HN 0.593 nan 8.270 nan 0.000 0.506 102 T N -4.649 109.890 114.554 -0.024 0.000 2.906 102 T HA 0.321 4.671 4.350 -0.000 0.000 0.295 102 T C 0.936 175.735 174.700 0.165 0.000 1.075 102 T CA -0.727 61.432 62.100 0.098 0.000 1.005 102 T CB 1.483 70.439 68.868 0.147 0.000 1.136 102 T HN -0.194 nan 8.240 nan 0.000 0.498 103 V N 0.837 120.887 119.914 0.227 0.000 2.392 103 V HA -0.130 3.990 4.120 -0.000 0.000 0.249 103 V C 2.106 178.403 176.094 0.339 0.000 1.059 103 V CA 2.035 64.491 62.300 0.259 0.000 1.051 103 V CB -1.244 30.738 31.823 0.266 0.000 0.658 103 V HN 0.907 nan 8.190 nan 0.000 0.455 104 Y N 1.587 122.040 120.300 0.255 0.000 2.145 104 Y HA -0.233 4.317 4.550 -0.000 0.000 0.286 104 Y C 2.352 178.425 175.900 0.288 0.000 1.145 104 Y CA 1.585 59.858 58.100 0.287 0.000 1.148 104 Y CB -0.648 37.927 38.460 0.192 0.000 0.981 104 Y HN 0.149 nan 8.280 nan 0.000 0.507 105 A N -0.542 122.326 122.820 0.079 0.000 1.969 105 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 105 A C 2.039 179.667 177.584 0.075 0.000 1.169 105 A CA 1.719 53.792 52.037 0.060 0.000 0.635 105 A CB -1.035 17.992 19.000 0.044 0.000 0.810 105 A HN 0.663 nan 8.150 nan 0.000 0.445 106 H N -2.186 116.901 119.070 0.028 0.000 2.389 106 H HA -0.131 4.424 4.556 -0.000 0.000 0.299 106 H C 1.874 177.109 175.328 -0.155 0.000 1.081 106 H CA 1.293 57.292 56.048 -0.082 0.000 1.345 106 H CB -0.224 29.409 29.762 -0.215 0.000 1.393 106 H HN 0.782 nan 8.280 nan 0.000 0.520 107 W N 0.321 121.690 121.300 0.115 0.000 2.409 107 W HA -0.105 4.555 4.660 -0.000 0.000 0.299 107 W C 2.306 178.817 176.519 -0.014 0.000 1.203 107 W CA 0.033 57.401 57.345 0.038 0.000 1.298 107 W CB 0.004 29.473 29.460 0.016 0.000 1.127 107 W HN 0.063 nan 8.180 nan 0.000 0.528 108 I N 0.389 121.011 120.570 0.086 0.000 2.226 108 I HA -0.246 3.923 4.170 -0.000 0.000 0.245 108 I C 2.480 178.650 176.117 0.087 0.000 1.100 108 I CA 1.730 63.014 61.300 -0.027 0.000 1.374 108 I CB -2.027 35.731 38.000 -0.402 0.000 1.057 108 I HN -0.033 nan 8.210 nan 0.000 0.413 109 A N 0.353 123.309 122.820 0.226 0.000 1.933 109 A HA -0.183 4.136 4.320 -0.000 0.000 0.218 109 A C 2.442 180.077 177.584 0.086 0.000 1.175 109 A CA 2.295 54.462 52.037 0.217 0.000 0.628 109 A CB -1.051 18.121 19.000 0.287 0.000 0.814 109 A HN 0.405 nan 8.150 nan 0.000 0.444 110 T N 0.103 114.722 114.554 0.110 0.000 2.708 110 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 110 T C 1.850 176.635 174.700 0.142 0.000 1.037 110 T CA 1.611 63.769 62.100 0.096 0.000 1.146 110 T CB -0.378 68.532 68.868 0.069 0.000 0.865 110 T HN 0.366 nan 8.240 nan 0.000 0.435 111 L N 1.357 122.691 121.223 0.185 0.000 2.046 111 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 111 L C 2.395 179.348 176.870 0.138 0.000 1.077 111 L CA 1.982 56.956 54.840 0.223 0.000 0.747 111 L CB -0.667 41.557 42.059 0.276 0.000 0.896 111 L HN 0.283 nan 8.230 nan 0.000 0.432 112 E N -0.390 119.725 120.200 -0.141 0.000 2.110 112 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 112 E C 2.220 178.614 176.600 -0.343 0.000 0.988 112 E CA 1.602 57.561 56.400 -0.735 0.000 0.804 112 E CB -0.221 28.792 29.700 -1.144 0.000 0.745 112 E HN 0.654 nan 8.360 nan 0.000 0.458 113 I N 0.353 120.837 120.570 -0.143 0.000 2.179 113 I HA -0.246 3.923 4.170 -0.000 0.000 0.242 113 I C 2.249 178.367 176.117 0.002 0.000 1.088 113 I CA 1.021 62.278 61.300 -0.072 0.000 1.357 113 I CB -0.349 37.641 38.000 -0.015 0.000 1.051 113 I HN 0.212 nan 8.210 nan 0.000 0.409 114 F N 1.341 121.267 119.950 -0.040 0.000 2.095 114 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 114 F C 2.362 178.166 175.800 0.007 0.000 1.104 114 F CA 1.621 59.622 58.000 0.001 0.000 1.232 114 F CB -0.440 38.583 39.000 0.038 0.000 0.987 114 F HN -0.238 nan 8.300 nan 0.000 0.475 115 V N 0.373 120.310 119.914 0.038 0.000 2.490 115 V HA -0.230 3.890 4.120 -0.000 0.000 0.250 115 V C 2.682 178.721 176.094 -0.093 0.000 1.061 115 V CA 1.855 64.147 62.300 -0.012 0.000 1.064 115 V CB -1.568 30.368 31.823 0.189 0.000 0.670 115 V HN 0.568 nan 8.190 nan 0.000 0.461 116 G N -0.712 108.015 108.800 -0.121 0.000 2.404 116 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 116 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 116 G C 1.606 176.447 174.900 -0.098 0.000 1.174 116 G CA 0.956 46.000 45.100 -0.094 0.000 0.780 116 G HN 0.418 nan 8.290 nan 0.000 0.537 117 M N 0.918 120.432 119.600 -0.144 0.000 2.086 117 M HA -0.073 4.407 4.480 -0.000 0.000 0.261 117 M C 2.936 179.133 176.300 -0.173 0.000 1.067 117 M CA 1.511 56.725 55.300 -0.143 0.000 1.116 117 M CB -0.396 32.111 32.600 -0.155 0.000 1.348 117 M HN 0.174 nan 8.290 nan 0.000 0.407 118 S N 0.436 115.957 115.700 -0.299 0.000 2.359 118 S HA -0.156 4.313 4.470 -0.000 0.000 0.223 118 S C 2.073 176.608 174.600 -0.108 0.000 1.039 118 S CA 1.872 59.911 58.200 -0.268 0.000 1.042 118 S CB -0.404 62.558 63.200 -0.396 0.000 0.915 118 S HN 0.425 nan 8.310 nan 0.000 0.439 119 S N 1.418 117.078 115.700 -0.066 0.000 2.370 119 S HA -0.018 4.452 4.470 -0.000 0.000 0.226 119 S C 1.801 176.412 174.600 0.019 0.000 1.033 119 S CA 1.098 59.302 58.200 0.006 0.000 1.011 119 S CB -0.452 62.775 63.200 0.046 0.000 0.852 119 S HN 0.413 nan 8.310 nan 0.000 0.457 120 I N 1.576 122.144 120.570 -0.003 0.000 2.226 120 I HA -0.205 3.964 4.170 -0.000 0.000 0.245 120 I C 2.698 178.828 176.117 0.022 0.000 1.100 120 I CA 1.023 62.329 61.300 0.009 0.000 1.374 120 I CB -0.544 37.448 38.000 -0.014 0.000 1.057 120 I HN 0.266 nan 8.210 nan 0.000 0.413 121 A N 1.320 124.137 122.820 -0.005 0.000 1.858 121 A HA -0.166 4.153 4.320 -0.000 0.000 0.216 121 A C 2.305 179.916 177.584 0.045 0.000 1.190 121 A CA 1.459 53.499 52.037 0.005 0.000 0.617 121 A CB -0.928 18.054 19.000 -0.030 0.000 0.827 121 A HN 0.355 nan 8.150 nan 0.000 0.443 122 L N -0.792 120.458 121.223 0.045 0.000 2.012 122 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 122 L C 3.112 180.066 176.870 0.140 0.000 1.073 122 L CA 1.248 56.139 54.840 0.086 0.000 0.748 122 L CB -0.711 41.392 42.059 0.073 0.000 0.891 122 L HN 0.452 nan 8.230 nan 0.000 0.431 123 A N -0.380 122.516 122.820 0.126 0.000 1.933 123 A HA -0.186 4.133 4.320 -0.000 0.000 0.218 123 A C 2.354 180.079 177.584 0.236 0.000 1.175 123 A CA 2.279 54.418 52.037 0.171 0.000 0.628 123 A CB -0.865 18.204 19.000 0.114 0.000 0.814 123 A HN 0.416 nan 8.150 nan 0.000 0.444 124 T N -0.298 114.362 114.554 0.177 0.000 2.821 124 T HA -0.018 4.332 4.350 -0.000 0.000 0.267 124 T C 1.972 176.802 174.700 0.216 0.000 1.046 124 T CA 1.331 63.542 62.100 0.185 0.000 1.139 124 T CB -0.579 68.355 68.868 0.110 0.000 0.871 124 T HN 0.578 nan 8.240 nan 0.000 0.454 125 G N 0.572 109.487 108.800 0.193 0.000 2.421 125 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.216 125 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.216 125 G C 1.907 176.979 174.900 0.287 0.000 1.171 125 G CA 1.080 46.314 45.100 0.224 0.000 0.775 125 G HN 0.541 nan 8.290 nan 0.000 0.543 126 C N 1.027 120.502 119.300 0.292 0.000 2.413 126 C HA 0.077 4.537 4.460 -0.000 0.000 0.276 126 C C 3.558 178.621 174.990 0.122 0.000 1.248 126 C CA 0.933 60.105 59.018 0.257 0.000 1.742 126 C CB -1.079 26.870 27.740 0.349 0.000 2.017 126 C HN 0.582 nan 8.230 nan 0.000 0.481 127 A N -0.192 122.776 122.820 0.247 0.000 1.908 127 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 127 A C 1.951 179.664 177.584 0.216 0.000 1.181 127 A CA 1.874 54.038 52.037 0.212 0.000 0.627 127 A CB -0.855 18.374 19.000 0.381 0.000 0.818 127 A HN 0.535 nan 8.150 nan 0.000 0.445 128 F N 0.735 120.751 119.950 0.110 0.000 2.102 128 F HA -0.146 4.380 4.527 -0.000 0.000 0.298 128 F C 2.013 177.845 175.800 0.052 0.000 1.105 128 F CA 1.534 59.586 58.000 0.086 0.000 1.239 128 F CB -0.334 38.712 39.000 0.077 0.000 0.991 128 F HN 0.193 nan 8.300 nan 0.000 0.474 129 I N 0.040 120.589 120.570 -0.034 0.000 2.179 129 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 129 I C 2.524 178.485 176.117 -0.259 0.000 1.088 129 I CA 1.256 62.468 61.300 -0.148 0.000 1.357 129 I CB -0.621 37.404 38.000 0.041 0.000 1.051 129 I HN 0.035 nan 8.210 nan 0.000 0.409 130 K N 0.651 120.870 120.400 -0.302 0.000 2.074 130 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 130 K C 2.079 178.510 176.600 -0.281 0.000 1.048 130 K CA 1.763 57.752 56.287 -0.498 0.000 0.926 130 K CB -0.300 31.622 32.500 -0.963 0.000 0.713 130 K HN 0.378 nan 8.250 nan 0.000 0.444 131 M N 0.028 119.586 119.600 -0.070 0.000 2.296 131 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 131 M C 1.372 177.581 176.300 -0.152 0.000 1.064 131 M CA 1.137 56.457 55.300 0.033 0.000 1.109 131 M CB 0.078 32.703 32.600 0.041 0.000 1.396 131 M HN -0.119 nan 8.290 nan 0.000 0.430 132 S N 0.327 115.837 115.700 -0.317 0.000 2.597 132 S HA 0.069 4.538 4.470 -0.000 0.000 0.224 132 S C 0.427 174.914 174.600 -0.189 0.000 0.955 132 S CA -0.330 57.689 58.200 -0.302 0.000 0.933 132 S CB -0.317 62.601 63.200 -0.469 0.000 0.788 132 S HN 0.526 nan 8.310 nan 0.000 0.488 141 L N 0.959 122.150 121.223 -0.054 0.000 2.257 141 L HA 0.957 5.296 4.340 -0.000 0.000 0.257 141 L C -1.364 175.402 176.870 -0.173 0.000 1.033 141 L CA -1.053 53.707 54.840 -0.133 0.000 0.835 141 L CB 2.286 44.230 42.059 -0.191 0.000 1.398 141 L HN 0.534 nan 8.230 nan 0.000 0.429 142 M N 1.018 120.435 119.600 -0.304 0.000 2.421 142 M HA 0.535 5.014 4.480 -0.000 0.000 0.287 142 M C -2.037 174.144 176.300 -0.200 0.000 1.183 142 M CA -0.233 54.927 55.300 -0.234 0.000 0.916 142 M CB 1.812 34.185 32.600 -0.377 0.000 1.701 142 M HN 0.430 nan 8.290 nan 0.000 0.470 143 F N 0.980 121.097 119.950 0.278 0.000 2.546 143 F HA 0.586 5.112 4.527 -0.000 0.000 0.320 143 F C 0.436 176.598 175.800 0.605 0.000 1.076 143 F CA -0.688 57.567 58.000 0.426 0.000 0.928 143 F CB 2.219 41.380 39.000 0.268 0.000 1.189 143 F HN 0.623 nan 8.300 nan 0.000 0.465 144 S N 0.370 116.529 115.700 0.765 0.000 2.572 144 S HA 0.096 4.566 4.470 -0.000 0.000 0.279 144 S C 0.754 175.811 174.600 0.762 0.000 1.341 144 S CA -0.564 58.051 58.200 0.692 0.000 1.043 144 S CB 0.889 64.331 63.200 0.402 0.000 0.887 144 S HN 0.791 nan 8.310 nan 0.000 0.516 145 E N 1.516 122.134 120.200 0.696 0.000 2.118 145 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 145 E C 0.147 176.901 176.600 0.257 0.000 0.992 145 E CA 1.381 57.899 56.400 0.196 0.000 0.804 145 E CB -0.100 29.443 29.700 -0.262 0.000 0.741 145 E HN 0.810 nan 8.360 nan 0.000 0.458 146 H N -1.583 117.792 119.070 0.508 0.000 2.710 146 H HA 0.615 5.170 4.556 -0.000 0.000 0.361 146 H C -0.819 174.647 175.328 0.230 0.000 1.175 146 H CA -0.940 55.320 56.048 0.354 0.000 1.206 146 H CB 1.828 31.671 29.762 0.135 0.000 1.750 146 H HN 0.056 nan 8.280 nan 0.000 0.553 147 A N 0.928 123.780 122.820 0.053 0.000 2.350 147 A HA 0.751 5.071 4.320 -0.000 0.000 0.318 147 A C -0.684 176.851 177.584 -0.081 0.000 1.132 147 A CA -0.513 51.459 52.037 -0.108 0.000 0.811 147 A CB 1.084 19.784 19.000 -0.500 0.000 1.313 147 A HN 0.564 nan 8.150 nan 0.000 0.454 148 V N -1.880 117.983 119.914 -0.085 0.000 3.160 148 V HA 0.844 4.963 4.120 -0.000 0.000 0.310 148 V C -0.942 175.039 176.094 -0.187 0.000 1.181 148 V CA -0.794 61.387 62.300 -0.198 0.000 1.047 148 V CB 1.746 33.367 31.823 -0.336 0.000 1.068 148 V HN 0.756 nan 8.190 nan 0.000 0.441 149 I N 2.600 122.999 120.570 -0.284 0.000 2.500 149 I HA 0.757 4.926 4.170 -0.000 0.000 0.286 149 I C -0.316 175.482 176.117 -0.532 0.000 1.063 149 I CA 0.004 61.053 61.300 -0.418 0.000 1.062 149 I CB 1.966 39.608 38.000 -0.596 0.000 1.223 149 I HN 1.110 nan 8.210 nan 0.000 0.435 150 S N 5.627 121.080 115.700 -0.412 0.000 2.636 150 S HA 0.589 5.059 4.470 -0.000 0.000 0.268 150 S C -0.922 173.520 174.600 -0.263 0.000 1.159 150 S CA -1.162 56.816 58.200 -0.371 0.000 0.815 150 S CB 1.705 64.718 63.200 -0.312 0.000 1.130 150 S HN 0.289 nan 8.310 nan 0.000 0.471 151 M N 1.884 121.360 119.600 -0.207 0.000 2.200 151 M HA 0.428 4.908 4.480 -0.000 0.000 0.355 151 M C 0.122 176.353 176.300 -0.116 0.000 1.283 151 M CA 0.499 55.715 55.300 -0.140 0.000 1.124 151 M CB 0.183 32.723 32.600 -0.100 0.000 1.625 151 M HN 0.861 nan 8.290 nan 0.000 0.463 152 R N 2.662 123.104 120.500 -0.097 0.000 2.533 152 R HA 0.195 4.535 4.340 -0.000 0.000 0.288 152 R C -0.954 175.308 176.300 -0.063 0.000 1.039 152 R CA -0.242 55.811 56.100 -0.079 0.000 0.909 152 R CB 1.051 31.301 30.300 -0.083 0.000 1.195 152 R HN 0.777 nan 8.270 nan 0.000 0.438 153 D N 3.516 123.886 120.400 -0.051 0.000 2.708 153 D HA -0.193 4.447 4.640 -0.000 0.000 0.236 153 D C 0.666 176.943 176.300 -0.038 0.000 1.146 153 D CA 1.955 55.930 54.000 -0.041 0.000 0.662 153 D CB -0.853 39.921 40.800 -0.043 0.000 1.059 153 D HN 1.101 nan 8.370 nan 0.000 0.428 154 G N -0.501 108.277 108.800 -0.037 0.000 2.184 154 G HA2 -0.353 3.606 3.960 -0.000 0.000 0.264 154 G HA3 -0.353 3.606 3.960 -0.000 0.000 0.264 154 G C 0.178 175.060 174.900 -0.030 0.000 0.975 154 G CA 0.867 45.950 45.100 -0.028 0.000 0.642 154 G HN 0.502 nan 8.290 nan 0.000 0.536 155 K N -0.476 119.897 120.400 -0.044 0.000 2.427 155 K HA 0.615 4.934 4.320 -0.000 0.000 0.252 155 K C -0.519 176.038 176.600 -0.072 0.000 0.931 155 K CA -1.211 55.048 56.287 -0.046 0.000 0.793 155 K CB 2.522 34.992 32.500 -0.050 0.000 1.211 155 K HN 0.078 nan 8.250 nan 0.000 0.426 156 L N 2.257 123.439 121.223 -0.068 0.000 2.513 156 L HA 0.115 4.455 4.340 -0.000 0.000 0.272 156 L C -0.782 176.012 176.870 -0.125 0.000 1.187 156 L CA 1.339 56.106 54.840 -0.122 0.000 0.895 156 L CB 0.275 42.273 42.059 -0.101 0.000 1.147 156 L HN 0.624 nan 8.230 nan 0.000 0.483 157 T N 5.752 120.209 114.554 -0.162 0.000 2.886 157 T HA 0.459 4.809 4.350 -0.000 0.000 0.292 157 T C -0.969 173.659 174.700 -0.120 0.000 1.012 157 T CA -0.534 61.492 62.100 -0.123 0.000 0.982 157 T CB 1.542 70.346 68.868 -0.107 0.000 1.018 157 T HN 0.508 nan 8.240 nan 0.000 0.451 158 L N 4.051 125.259 121.223 -0.026 0.000 2.276 158 L HA 0.749 5.089 4.340 -0.000 0.000 0.286 158 L C -0.908 175.995 176.870 0.055 0.000 1.061 158 L CA 0.052 54.894 54.840 0.003 0.000 0.807 158 L CB 0.212 42.328 42.059 0.094 0.000 1.177 158 L HN 0.691 nan 8.230 nan 0.000 0.429 159 M N 5.887 125.518 119.600 0.051 0.000 2.550 159 M HA 0.636 5.116 4.480 -0.000 0.000 0.292 159 M C -1.298 175.140 176.300 0.230 0.000 1.221 159 M CA -0.502 54.829 55.300 0.053 0.000 0.873 159 M CB 2.296 34.929 32.600 0.056 0.000 1.727 159 M HN 0.587 nan 8.290 nan 0.000 0.459 160 F N -1.136 118.833 119.950 0.032 0.000 2.686 160 F HA 0.853 5.380 4.527 -0.000 0.000 0.311 160 F C -1.403 174.236 175.800 -0.270 0.000 1.128 160 F CA -1.140 56.846 58.000 -0.022 0.000 0.946 160 F CB 1.560 40.496 39.000 -0.106 0.000 1.336 160 F HN 0.582 nan 8.300 nan 0.000 0.457 161 R N 1.509 121.858 120.500 -0.251 0.000 2.664 161 R HA 0.859 5.199 4.340 -0.000 0.000 0.286 161 R C -1.697 174.606 176.300 0.005 0.000 0.967 161 R CA -0.852 54.957 56.100 -0.485 0.000 0.933 161 R CB 2.099 31.698 30.300 -1.169 0.000 1.146 161 R HN 1.004 nan 8.270 nan 0.000 0.468 162 V N 0.135 120.031 119.914 -0.029 0.000 2.735 162 V HA 0.987 5.107 4.120 -0.000 0.000 0.310 162 V C -0.511 175.643 176.094 0.101 0.000 1.061 162 V CA -0.437 61.914 62.300 0.085 0.000 0.913 162 V CB 1.747 33.594 31.823 0.041 0.000 1.005 162 V HN 0.877 nan 8.190 nan 0.000 0.428 163 G N 1.795 110.675 108.800 0.133 0.000 2.753 163 G HA2 0.464 4.423 3.960 -0.000 0.000 0.297 163 G HA3 0.464 4.423 3.960 -0.000 0.000 0.297 163 G C -1.456 173.396 174.900 -0.079 0.000 1.430 163 G CA -0.951 44.192 45.100 0.072 0.000 1.040 163 G HN 0.923 nan 8.290 nan 0.000 0.530 164 N N -0.246 118.437 118.700 -0.028 0.000 2.513 164 N HA 0.583 5.322 4.740 -0.000 0.000 0.268 164 N C 1.021 176.542 175.510 0.018 0.000 1.180 164 N CA 0.604 53.641 53.050 -0.022 0.000 0.948 164 N CB 1.035 39.525 38.487 0.005 0.000 1.083 164 N HN 0.734 nan 8.380 nan 0.000 0.455 165 L N 2.163 123.378 121.223 -0.013 0.000 2.718 165 L HA 0.826 5.166 4.340 -0.000 0.000 0.166 165 L C 1.706 178.575 176.870 -0.001 0.000 1.893 165 L CA 0.520 55.365 54.840 0.009 0.000 2.845 165 L CB -1.370 40.672 42.059 -0.029 0.000 2.993 165 L HN 0.651 nan 8.230 nan 0.000 0.684 166 R N -1.377 119.111 120.500 -0.019 0.000 2.517 166 R HA 0.288 4.628 4.340 -0.000 0.000 0.265 166 R C 1.873 178.161 176.300 -0.019 0.000 0.921 166 R CA 1.715 57.800 56.100 -0.025 0.000 1.054 166 R CB -1.929 28.346 30.300 -0.042 0.000 1.340 166 R HN 1.515 nan 8.270 nan 0.000 0.551 167 N N 0.160 118.851 118.700 -0.016 0.000 2.430 167 N HA 0.074 4.814 4.740 -0.000 0.000 0.186 167 N C 0.744 176.247 175.510 -0.011 0.000 1.032 167 N CA 1.548 54.591 53.050 -0.012 0.000 0.893 167 N CB 0.034 38.515 38.487 -0.009 0.000 0.957 167 N HN 0.549 nan 8.380 nan 0.000 0.442 168 S N -4.330 111.362 115.700 -0.012 0.000 2.615 168 S HA 0.636 5.106 4.470 -0.000 0.000 0.268 168 S C -1.259 173.334 174.600 -0.011 0.000 1.146 168 S CA -0.010 58.184 58.200 -0.010 0.000 0.818 168 S CB 0.912 64.107 63.200 -0.008 0.000 1.111 168 S HN 1.022 nan 8.310 nan 0.000 0.465 169 H N 0.752 119.816 119.070 -0.011 0.000 2.924 169 H HA 0.814 5.370 4.556 -0.000 0.000 0.333 169 H C -0.667 174.653 175.328 -0.014 0.000 0.979 169 H CA -0.582 55.459 56.048 -0.011 0.000 1.326 169 H CB 1.092 30.848 29.762 -0.010 0.000 1.600 169 H HN 0.743 nan 8.280 nan 0.000 0.520 170 M N 2.077 121.667 119.600 -0.016 0.000 2.464 170 M HA 0.679 5.159 4.480 -0.000 0.000 0.308 170 M C -1.196 175.087 176.300 -0.027 0.000 1.127 170 M CA -1.007 54.281 55.300 -0.020 0.000 0.913 170 M CB 2.373 34.967 32.600 -0.010 0.000 1.689 170 M HN 0.259 nan 8.290 nan 0.000 0.445 171 V N 0.120 120.003 119.914 -0.052 0.000 3.523 171 V HA 0.167 4.287 4.120 -0.000 0.000 0.255 171 V C 0.729 176.770 176.094 -0.088 0.000 1.226 171 V CA 0.467 62.722 62.300 -0.076 0.000 1.092 171 V CB 0.681 32.428 31.823 -0.127 0.000 0.817 171 V HN 0.947 nan 8.190 nan 0.000 0.458 172 S N -0.059 115.597 115.700 -0.074 0.000 2.526 172 S HA 0.866 5.335 4.470 -0.000 0.000 0.293 172 S C -0.797 173.828 174.600 0.041 0.000 1.092 172 S CA 0.249 58.437 58.200 -0.020 0.000 0.980 172 S CB 1.807 64.947 63.200 -0.100 0.000 1.048 172 S HN 0.658 nan 8.310 nan 0.000 0.483 173 A N 2.970 125.847 122.820 0.096 0.000 2.599 173 A HA 0.630 4.950 4.320 -0.000 0.000 0.294 173 A C -1.321 176.330 177.584 0.113 0.000 1.055 173 A CA -0.666 51.424 52.037 0.088 0.000 0.683 173 A CB 1.402 20.445 19.000 0.072 0.000 1.278 173 A HN 0.770 nan 8.150 nan 0.000 0.412 174 Q N 0.643 120.504 119.800 0.103 0.000 2.235 174 Q HA 0.774 5.114 4.340 -0.000 0.000 0.256 174 Q C -1.323 174.744 176.000 0.111 0.000 0.951 174 Q CA -0.542 55.325 55.803 0.108 0.000 0.890 174 Q CB 1.454 30.249 28.738 0.095 0.000 1.279 174 Q HN 0.795 nan 8.270 nan 0.000 0.444 175 I N 2.520 123.162 120.570 0.120 0.000 2.569 175 I HA 0.545 4.715 4.170 -0.000 0.000 0.296 175 I C -1.365 174.816 176.117 0.106 0.000 1.028 175 I CA -0.684 60.705 61.300 0.147 0.000 1.082 175 I CB 1.477 39.601 38.000 0.207 0.000 1.264 175 I HN 0.704 nan 8.210 nan 0.000 0.429 176 R N 5.616 126.170 120.500 0.090 0.000 2.725 176 R HA 0.716 5.055 4.340 -0.000 0.000 0.277 176 R C -1.726 174.608 176.300 0.058 0.000 0.987 176 R CA -0.653 55.460 56.100 0.021 0.000 0.901 176 R CB 2.022 32.281 30.300 -0.068 0.000 1.207 176 R HN 0.540 nan 8.270 nan 0.000 0.463 177 C N 1.501 120.828 119.300 0.045 0.000 2.712 177 C HA 0.630 5.089 4.460 -0.000 0.000 0.308 177 C C -0.901 174.077 174.990 -0.019 0.000 1.201 177 C CA -1.024 58.019 59.018 0.041 0.000 1.554 177 C CB 1.906 29.721 27.740 0.125 0.000 2.117 177 C HN 0.641 nan 8.230 nan 0.000 0.480 178 K N 1.581 121.960 120.400 -0.035 0.000 2.464 178 K HA 0.620 4.940 4.320 -0.000 0.000 0.253 178 K C -1.497 175.066 176.600 -0.061 0.000 0.933 178 K CA -0.670 55.578 56.287 -0.065 0.000 0.801 178 K CB 2.520 34.979 32.500 -0.069 0.000 1.271 178 K HN 0.540 nan 8.250 nan 0.000 0.430 179 L N 2.894 124.050 121.223 -0.111 0.000 2.272 179 L HA 0.355 4.694 4.340 -0.000 0.000 0.289 179 L C -1.248 175.575 176.870 -0.077 0.000 1.032 179 L CA -0.645 54.127 54.840 -0.112 0.000 0.810 179 L CB 0.601 42.472 42.059 -0.314 0.000 1.205 179 L HN 0.397 nan 8.230 nan 0.000 0.422 180 L N 6.182 127.405 121.223 -0.001 0.000 2.264 180 L HA 0.565 4.905 4.340 -0.000 0.000 0.289 180 L C -0.288 176.599 176.870 0.028 0.000 1.044 180 L CA 0.124 54.939 54.840 -0.041 0.000 0.807 180 L CB 0.798 42.824 42.059 -0.055 0.000 1.192 180 L HN 0.609 nan 8.230 nan 0.000 0.425 181 K N 2.120 122.497 120.400 -0.037 0.000 2.589 181 K HA 0.394 4.714 4.320 -0.000 0.000 0.253 181 K C -0.870 175.697 176.600 -0.054 0.000 0.974 181 K CA -0.356 55.942 56.287 0.019 0.000 0.835 181 K CB 1.376 33.903 32.500 0.045 0.000 1.272 181 K HN 0.558 nan 8.250 nan 0.000 0.444 182 S N 2.566 118.246 115.700 -0.033 0.000 2.576 182 S HA 0.259 4.728 4.470 -0.000 0.000 0.272 182 S C -0.152 174.395 174.600 -0.089 0.000 1.352 182 S CA -0.194 57.919 58.200 -0.145 0.000 1.021 182 S CB 0.473 63.672 63.200 -0.000 0.000 0.887 182 S HN 0.764 nan 8.310 nan 0.000 0.542 183 R N 0.522 120.895 120.500 -0.210 0.000 2.765 183 R HA 0.392 4.731 4.340 -0.000 0.000 0.277 183 R C -2.070 174.205 176.300 -0.042 0.000 1.028 183 R CA -0.930 55.145 56.100 -0.042 0.000 0.860 183 R CB 0.983 31.259 30.300 -0.041 0.000 1.270 183 R HN 0.575 nan 8.270 nan 0.000 0.484 184 Q N 1.917 121.772 119.800 0.091 0.000 2.333 184 Q HA 0.307 4.647 4.340 -0.000 0.000 0.268 184 Q C -0.739 175.294 176.000 0.055 0.000 1.007 184 Q CA -0.704 55.173 55.803 0.124 0.000 0.810 184 Q CB 2.006 30.866 28.738 0.203 0.000 1.264 184 Q HN 0.764 nan 8.270 nan 0.000 0.452 185 T N 1.277 115.850 114.554 0.031 0.000 2.856 185 T HA 0.174 4.524 4.350 -0.000 0.000 0.306 185 T C -1.834 172.882 174.700 0.027 0.000 1.062 185 T CA -1.124 60.985 62.100 0.016 0.000 1.083 185 T CB 0.505 69.376 68.868 0.005 0.000 0.984 185 T HN 0.470 nan 8.240 nan 0.000 0.542 186 P HA -0.079 nan 4.420 nan 0.000 0.217 186 P C 0.779 178.092 177.300 0.021 0.000 1.148 186 P CA 1.002 64.114 63.100 0.020 0.000 0.828 186 P CB -0.060 31.648 31.700 0.013 0.000 0.783 187 E N -1.151 119.061 120.200 0.019 0.000 2.438 187 E HA 0.210 4.560 4.350 -0.000 0.000 0.192 187 E C 1.413 178.029 176.600 0.027 0.000 1.110 187 E CA 0.661 57.072 56.400 0.019 0.000 0.893 187 E CB -1.306 28.403 29.700 0.014 0.000 0.990 187 E HN 0.175 nan 8.360 nan 0.000 0.490 188 G N 0.911 109.732 108.800 0.036 0.000 2.168 188 G HA2 -0.401 3.558 3.960 -0.000 0.000 0.263 188 G HA3 -0.401 3.558 3.960 -0.000 0.000 0.263 188 G C 0.125 175.066 174.900 0.069 0.000 0.977 188 G CA 0.445 45.574 45.100 0.047 0.000 0.659 188 G HN 0.426 nan 8.290 nan 0.000 0.533 189 E N -0.347 119.893 120.200 0.067 0.000 2.283 189 E HA 0.543 4.893 4.350 -0.000 0.000 0.278 189 E C -0.636 176.045 176.600 0.134 0.000 1.027 189 E CA -1.058 55.392 56.400 0.084 0.000 0.843 189 E CB 0.350 30.075 29.700 0.042 0.000 1.062 189 E HN 0.163 nan 8.360 nan 0.000 0.401 190 F N 5.625 125.575 119.950 -0.000 0.000 2.410 190 F HA 0.317 4.844 4.527 -0.000 0.000 0.349 190 F C -1.009 174.787 175.800 -0.005 0.000 1.117 190 F CA -0.787 57.213 58.000 0.001 0.000 1.104 190 F CB 0.536 39.540 39.000 0.006 0.000 1.122 190 F HN 0.379 nan 8.300 nan 0.000 0.483 191 L N 9.627 130.468 121.223 -0.637 0.000 2.371 191 L HA 0.304 4.644 4.340 -0.000 0.000 0.262 191 L C -1.807 174.572 176.870 -0.819 0.000 1.054 191 L CA -1.655 52.865 54.840 -0.533 0.000 0.924 191 L CB 0.967 42.848 42.059 -0.296 0.000 1.295 191 L HN 0.502 nan 8.230 nan 0.000 0.441 192 P HA -0.179 nan 4.420 nan 0.000 0.218 192 P C 0.582 177.673 177.300 -0.347 0.000 1.152 192 P CA 1.447 64.224 63.100 -0.538 0.000 0.857 192 P CB 0.234 31.858 31.700 -0.126 0.000 0.787 193 L N -1.691 119.315 121.223 -0.361 0.000 2.861 193 L HA 0.267 4.607 4.340 -0.000 0.000 0.290 193 L C -0.128 176.563 176.870 -0.298 0.000 1.346 193 L CA -0.644 53.951 54.840 -0.408 0.000 0.779 193 L CB 0.395 42.135 42.059 -0.532 0.000 1.143 193 L HN -0.204 nan 8.230 nan 0.000 0.548 194 D N 1.564 121.814 120.400 -0.250 0.000 2.458 194 D HA 0.043 4.683 4.640 -0.000 0.000 0.243 194 D C -0.173 176.031 176.300 -0.160 0.000 1.146 194 D CA 0.738 54.625 54.000 -0.188 0.000 0.877 194 D CB 0.789 41.489 40.800 -0.167 0.000 1.176 194 D HN 0.244 nan 8.370 nan 0.000 0.461 195 Q N 2.712 122.429 119.800 -0.138 0.000 2.325 195 Q HA 0.456 4.795 4.340 -0.000 0.000 0.262 195 Q C -0.686 175.248 176.000 -0.111 0.000 0.968 195 Q CA -0.652 55.078 55.803 -0.122 0.000 0.877 195 Q CB 1.614 30.285 28.738 -0.113 0.000 1.253 195 Q HN 0.433 nan 8.270 nan 0.000 0.448 196 L N 1.707 122.856 121.223 -0.123 0.000 2.334 196 L HA 0.434 4.774 4.340 -0.000 0.000 0.276 196 L C -0.048 176.747 176.870 -0.125 0.000 1.014 196 L CA -1.014 53.750 54.840 -0.126 0.000 0.815 196 L CB 1.647 43.606 42.059 -0.166 0.000 1.268 196 L HN 0.508 nan 8.230 nan 0.000 0.428 197 E N 2.455 122.600 120.200 -0.090 0.000 2.360 197 E HA 0.297 4.646 4.350 -0.000 0.000 0.269 197 E C -1.219 175.333 176.600 -0.080 0.000 1.022 197 E CA 0.161 56.521 56.400 -0.066 0.000 0.887 197 E CB 0.715 30.404 29.700 -0.018 0.000 0.990 197 E HN 0.369 nan 8.360 nan 0.000 0.426 198 L N 4.409 125.582 121.223 -0.084 0.000 2.295 198 L HA 0.254 4.593 4.340 -0.000 0.000 0.281 198 L C -0.348 176.568 176.870 0.076 0.000 1.018 198 L CA -0.937 53.810 54.840 -0.155 0.000 0.841 198 L CB 1.274 43.172 42.059 -0.269 0.000 1.218 198 L HN 0.542 nan 8.230 nan 0.000 0.424 199 D N 3.284 123.835 120.400 0.253 0.000 2.412 199 D HA 0.085 4.724 4.640 -0.000 0.000 0.257 199 D C 0.381 176.883 176.300 0.337 0.000 1.217 199 D CA 0.123 54.290 54.000 0.280 0.000 0.897 199 D CB 1.220 42.154 40.800 0.224 0.000 1.132 199 D HN 0.274 nan 8.370 nan 0.000 0.493 200 V N 1.691 121.745 119.914 0.234 0.000 2.838 200 V HA 0.623 4.743 4.120 -0.000 0.000 0.363 200 V C 1.080 177.252 176.094 0.130 0.000 1.324 200 V CA 0.073 62.484 62.300 0.185 0.000 1.220 200 V CB 0.223 32.159 31.823 0.189 0.000 1.328 200 V HN 0.683 nan 8.190 nan 0.000 0.595 201 G N 0.669 109.546 108.800 0.129 0.000 2.253 201 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.209 201 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.209 201 G C 0.395 175.381 174.900 0.143 0.000 0.997 201 G CA 0.259 45.416 45.100 0.095 0.000 0.640 201 G HN 0.673 nan 8.290 nan 0.000 0.496 202 F N 3.475 123.443 119.950 0.030 0.000 2.380 202 F HA -0.076 4.450 4.527 -0.000 0.000 0.299 202 F C 2.367 178.175 175.800 0.014 0.000 1.064 202 F CA 2.163 60.178 58.000 0.026 0.000 1.432 202 F CB -0.143 38.878 39.000 0.034 0.000 1.089 202 F HN 0.379 nan 8.300 nan 0.000 0.562 203 S N -1.443 114.244 115.700 -0.021 0.000 2.341 203 S HA -0.037 4.433 4.470 -0.000 0.000 0.216 203 S C 1.320 175.849 174.600 -0.118 0.000 1.034 203 S CA 0.838 58.966 58.200 -0.119 0.000 0.964 203 S CB -0.882 62.293 63.200 -0.041 0.000 0.882 203 S HN 0.423 nan 8.310 nan 0.000 0.469 204 T N -2.405 112.112 114.554 -0.062 0.000 3.585 204 T HA 0.651 5.001 4.350 -0.000 0.000 0.252 204 T C 1.034 175.704 174.700 -0.050 0.000 1.382 204 T CA 0.101 62.163 62.100 -0.063 0.000 1.584 204 T CB 0.126 68.960 68.868 -0.056 0.000 0.892 204 T HN 0.998 nan 8.240 nan 0.000 0.671 205 G N 1.586 110.362 108.800 -0.040 0.000 2.353 205 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.258 205 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.258 205 G C 1.430 176.313 174.900 -0.029 0.000 1.013 205 G CA 0.444 45.524 45.100 -0.034 0.000 0.622 205 G HN 1.489 nan 8.290 nan 0.000 0.535 206 A N 1.273 124.078 122.820 -0.025 0.000 2.076 206 A HA 0.028 4.348 4.320 -0.000 0.000 0.220 206 A C 2.016 179.609 177.584 0.015 0.000 1.160 206 A CA 2.247 54.268 52.037 -0.026 0.000 0.653 206 A CB -0.479 18.506 19.000 -0.025 0.000 0.801 206 A HN 0.927 nan 8.150 nan 0.000 0.455 207 D N -0.970 119.472 120.400 0.069 0.000 2.347 207 D HA -0.077 4.563 4.640 -0.000 0.000 0.215 207 D C 0.077 176.441 176.300 0.107 0.000 0.976 207 D CA 0.360 54.429 54.000 0.115 0.000 0.884 207 D CB -0.167 40.757 40.800 0.206 0.000 0.915 207 D HN 0.301 nan 8.370 nan 0.000 0.526 208 Q N 0.917 120.764 119.800 0.079 0.000 2.331 208 Q HA 0.402 4.742 4.340 -0.000 0.000 0.257 208 Q C -0.231 175.820 176.000 0.085 0.000 0.957 208 Q CA -0.303 55.559 55.803 0.099 0.000 0.923 208 Q CB 2.107 30.900 28.738 0.091 0.000 1.212 208 Q HN 0.317 nan 8.270 nan 0.000 0.443 209 L N 2.697 124.009 121.223 0.149 0.000 2.309 209 L HA 0.516 4.855 4.340 -0.000 0.000 0.282 209 L C -0.060 177.030 176.870 0.368 0.000 1.036 209 L CA -0.461 54.478 54.840 0.164 0.000 0.806 209 L CB 0.889 43.014 42.059 0.109 0.000 1.220 209 L HN 0.455 nan 8.230 nan 0.000 0.429 210 F N 3.755 123.700 119.950 -0.008 0.000 2.308 210 F HA 0.319 4.846 4.527 -0.000 0.000 0.370 210 F C 0.396 176.183 175.800 -0.021 0.000 1.100 210 F CA -0.857 57.136 58.000 -0.011 0.000 1.108 210 F CB 1.198 40.189 39.000 -0.014 0.000 1.293 210 F HN 0.353 nan 8.300 nan 0.000 0.478 211 L N 5.795 127.088 121.223 0.117 0.000 2.511 211 L HA 0.040 4.379 4.340 -0.000 0.000 0.239 211 L C 1.226 178.113 176.870 0.029 0.000 1.400 211 L CA -0.234 54.637 54.840 0.051 0.000 1.226 211 L CB -0.377 41.695 42.059 0.023 0.000 1.475 211 L HN 0.560 nan 8.230 nan 0.000 0.428 212 V N -2.814 117.123 119.914 0.038 0.000 3.649 212 V HA 0.266 4.386 4.120 -0.000 0.000 0.275 212 V C 0.747 176.829 176.094 -0.019 0.000 1.281 212 V CA 0.411 62.715 62.300 0.008 0.000 1.143 212 V CB -0.646 31.186 31.823 0.013 0.000 0.892 212 V HN 0.609 nan 8.190 nan 0.000 0.441 213 S N -2.181 113.512 115.700 -0.012 0.000 2.645 213 S HA 0.526 4.996 4.470 -0.000 0.000 0.268 213 S C -3.508 171.076 174.600 -0.027 0.000 1.110 213 S CA -0.979 57.205 58.200 -0.027 0.000 0.823 213 S CB 0.773 63.927 63.200 -0.075 0.000 1.091 213 S HN 0.060 nan 8.310 nan 0.000 0.466 214 P HA 0.396 nan 4.420 nan 0.000 0.267 214 P C -0.996 176.228 177.300 -0.127 0.000 1.209 214 P CA -0.041 63.028 63.100 -0.052 0.000 0.763 214 P CB 0.174 31.836 31.700 -0.063 0.000 0.816 215 L N 2.668 123.811 121.223 -0.134 0.000 2.331 215 L HA 0.444 4.784 4.340 -0.000 0.000 0.275 215 L C 0.510 177.213 176.870 -0.277 0.000 1.022 215 L CA -0.477 54.263 54.840 -0.167 0.000 0.812 215 L CB 1.496 43.490 42.059 -0.109 0.000 1.257 215 L HN 0.199 nan 8.230 nan 0.000 0.435 216 T N 3.512 117.891 114.554 -0.291 0.000 2.753 216 T HA 0.413 4.763 4.350 -0.000 0.000 0.297 216 T C 0.086 174.570 174.700 -0.359 0.000 0.981 216 T CA -0.433 61.436 62.100 -0.385 0.000 0.956 216 T CB 0.322 69.009 68.868 -0.302 0.000 0.936 216 T HN 0.136 nan 8.240 nan 0.000 0.463 217 I N 2.975 123.209 120.570 -0.559 0.000 2.496 217 I HA 0.222 4.391 4.170 -0.000 0.000 0.285 217 I C 0.445 176.299 176.117 -0.437 0.000 1.080 217 I CA -0.680 60.278 61.300 -0.571 0.000 1.404 217 I CB 0.202 37.594 38.000 -1.014 0.000 1.403 217 I HN 0.639 nan 8.210 nan 0.000 0.539 218 C N 5.804 124.981 119.300 -0.204 0.000 2.408 218 C HA 0.417 4.877 4.460 -0.000 0.000 0.321 218 C C 0.132 175.138 174.990 0.026 0.000 1.245 218 C CA -0.546 58.418 59.018 -0.090 0.000 1.523 218 C CB 0.781 28.469 27.740 -0.088 0.000 2.178 218 C HN 0.800 nan 8.230 nan 0.000 0.488 219 H N 1.415 120.485 119.070 0.000 0.000 2.762 219 H HA 0.575 5.131 4.556 -0.000 0.000 0.310 219 H C -0.787 174.565 175.328 0.040 0.000 1.004 219 H CA -0.270 55.812 56.048 0.057 0.000 1.267 219 H CB 0.715 30.559 29.762 0.136 0.000 1.437 219 H HN 0.454 nan 8.280 nan 0.000 0.498 220 V N 7.376 127.026 119.914 -0.439 0.000 2.521 220 V HA 0.052 4.171 4.120 -0.000 0.000 0.286 220 V C 0.678 176.504 176.094 -0.446 0.000 1.034 220 V CA -0.068 62.035 62.300 -0.329 0.000 1.045 220 V CB 0.331 32.039 31.823 -0.192 0.000 0.974 220 V HN 0.745 nan 8.190 nan 0.000 0.480 221 I N 6.311 126.770 120.570 -0.185 0.000 2.291 221 I HA 0.322 4.492 4.170 -0.000 0.000 0.292 221 I C -0.059 176.097 176.117 0.065 0.000 1.064 221 I CA -0.154 61.146 61.300 -0.001 0.000 1.269 221 I CB 0.514 38.587 38.000 0.122 0.000 1.418 221 I HN 0.800 nan 8.210 nan 0.000 0.485 222 D N 4.756 125.191 120.400 0.059 0.000 2.801 222 D HA 0.426 5.066 4.640 -0.000 0.000 0.277 222 D C 0.869 177.099 176.300 -0.117 0.000 1.125 222 D CA -0.637 53.386 54.000 0.038 0.000 1.102 222 D CB 0.782 41.554 40.800 -0.047 0.000 1.400 222 D HN 0.247 nan 8.370 nan 0.000 0.601 223 A N -0.734 121.813 122.820 -0.455 0.000 2.032 223 A HA 0.039 4.358 4.320 -0.000 0.000 0.221 223 A C 2.125 179.389 177.584 -0.533 0.000 1.165 223 A CA 2.896 54.303 52.037 -1.051 0.000 0.645 223 A CB -1.396 17.195 19.000 -0.682 0.000 0.807 223 A HN 0.703 nan 8.150 nan 0.000 0.453 224 K N -0.421 119.834 120.400 -0.241 0.000 2.361 224 K HA 0.276 4.596 4.320 -0.000 0.000 0.196 224 K C 1.219 177.802 176.600 -0.027 0.000 1.039 224 K CA 0.882 57.101 56.287 -0.113 0.000 1.001 224 K CB -0.782 31.680 32.500 -0.065 0.000 0.795 224 K HN 0.513 nan 8.250 nan 0.000 0.495 225 S N 0.903 116.622 115.700 0.031 0.000 2.564 225 S HA 0.243 4.713 4.470 -0.000 0.000 0.278 225 S C -1.869 172.785 174.600 0.091 0.000 1.333 225 S CA -1.254 57.041 58.200 0.159 0.000 1.048 225 S CB 1.281 64.679 63.200 0.330 0.000 0.900 225 S HN 0.206 nan 8.310 nan 0.000 0.505 226 P HA 0.030 nan 4.420 nan 0.000 0.225 226 P C 0.154 177.316 177.300 -0.230 0.000 1.148 226 P CA 0.889 63.843 63.100 -0.244 0.000 0.779 226 P CB 0.033 31.423 31.700 -0.516 0.000 0.780 227 F N -3.343 116.664 119.950 0.094 0.000 2.660 227 F HA 0.150 4.677 4.527 -0.001 0.000 0.302 227 F C 1.878 177.788 175.800 0.184 0.000 1.103 227 F CA -0.735 57.320 58.000 0.091 0.000 1.340 227 F CB -1.132 37.911 39.000 0.072 0.000 1.048 227 F HN -0.113 nan 8.300 nan 0.000 0.551 228 Y N 1.390 121.806 120.300 0.194 0.000 2.139 228 Y HA -0.296 4.254 4.550 -0.000 0.000 0.282 228 Y C 1.696 177.687 175.900 0.153 0.000 1.179 228 Y CA 1.962 60.149 58.100 0.146 0.000 1.161 228 Y CB -0.309 38.202 38.460 0.085 0.000 0.970 228 Y HN 0.051 nan 8.280 nan 0.000 0.511 229 D N -0.236 120.202 120.400 0.063 0.000 2.463 229 D HA 0.089 4.728 4.640 -0.000 0.000 0.224 229 D C -0.890 175.460 176.300 0.084 0.000 1.174 229 D CA -0.146 53.828 54.000 -0.043 0.000 0.829 229 D CB -0.518 40.258 40.800 -0.040 0.000 0.993 229 D HN 0.181 nan 8.370 nan 0.000 0.497 230 L N 1.518 122.860 121.223 0.198 0.000 2.313 230 L HA 0.379 4.719 4.340 -0.000 0.000 0.282 230 L C 0.046 177.037 176.870 0.201 0.000 1.092 230 L CA 0.009 54.990 54.840 0.235 0.000 0.831 230 L CB 0.800 43.067 42.059 0.347 0.000 1.159 230 L HN 0.048 nan 8.230 nan 0.000 0.442 231 S N 2.649 118.326 115.700 -0.039 0.000 2.726 231 S HA 0.350 4.820 4.470 -0.000 0.000 0.308 231 S C 0.628 174.663 174.600 -0.943 0.000 1.115 231 S CA -0.256 57.708 58.200 -0.393 0.000 0.965 231 S CB 1.313 64.381 63.200 -0.220 0.000 1.145 231 S HN 0.749 nan 8.310 nan 0.000 0.532 232 Q N 0.536 119.358 119.800 -1.630 0.000 2.096 232 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 232 Q C 2.134 177.754 176.000 -0.633 0.000 0.982 232 Q CA 1.618 56.524 55.803 -1.495 0.000 0.850 232 Q CB -0.146 27.707 28.738 -1.475 0.000 0.901 232 Q HN 0.764 nan 8.270 nan 0.000 0.422 233 R N -0.008 120.221 120.500 -0.453 0.000 2.070 233 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 233 R C 2.712 178.913 176.300 -0.166 0.000 1.138 233 R CA 1.744 57.696 56.100 -0.246 0.000 0.936 233 R CB -0.418 29.777 30.300 -0.176 0.000 0.839 233 R HN 0.410 nan 8.270 nan 0.000 0.429 234 S N 0.633 116.250 115.700 -0.140 0.000 2.419 234 S HA -0.179 4.291 4.470 -0.000 0.000 0.235 234 S C 2.041 176.642 174.600 0.001 0.000 1.019 234 S CA 1.113 59.287 58.200 -0.042 0.000 0.982 234 S CB -0.225 62.976 63.200 0.002 0.000 0.789 234 S HN 0.194 nan 8.310 nan 0.000 0.490 235 M N 1.081 120.658 119.600 -0.038 0.000 2.149 235 M HA -0.141 4.339 4.480 -0.000 0.000 0.261 235 M C 2.441 178.733 176.300 -0.012 0.000 1.064 235 M CA 1.538 56.864 55.300 0.043 0.000 1.102 235 M CB -0.809 31.801 32.600 0.016 0.000 1.369 235 M HN 0.509 nan 8.290 nan 0.000 0.408 236 Q N -0.791 118.973 119.800 -0.060 0.000 2.291 236 Q HA -0.123 4.216 4.340 -0.000 0.000 0.206 236 Q C 1.491 177.466 176.000 -0.042 0.000 0.976 236 Q CA 1.880 57.647 55.803 -0.060 0.000 0.875 236 Q CB -0.017 28.676 28.738 -0.076 0.000 0.927 236 Q HN 0.638 nan 8.270 nan 0.000 0.450 237 T N -4.233 110.309 114.554 -0.020 0.000 3.043 237 T HA 0.186 4.536 4.350 -0.000 0.000 0.272 237 T C 0.211 174.924 174.700 0.021 0.000 0.990 237 T CA -0.385 61.712 62.100 -0.005 0.000 0.897 237 T CB 0.458 69.326 68.868 -0.000 0.000 1.111 237 T HN -0.067 nan 8.240 nan 0.000 0.529 238 E N 1.863 122.091 120.200 0.047 0.000 2.374 238 E HA 0.409 4.759 4.350 -0.000 0.000 0.260 238 E C -0.430 176.175 176.600 0.009 0.000 1.101 238 E CA -0.287 56.184 56.400 0.118 0.000 0.907 238 E CB 0.816 30.700 29.700 0.307 0.000 1.014 238 E HN 0.428 nan 8.360 nan 0.000 0.427 239 Q N 2.982 122.829 119.800 0.078 0.000 2.294 239 Q HA 0.456 4.795 4.340 -0.000 0.000 0.264 239 Q C -1.796 174.286 176.000 0.138 0.000 0.992 239 Q CA -0.624 55.172 55.803 -0.011 0.000 0.747 239 Q CB 0.430 29.197 28.738 0.049 0.000 1.262 239 Q HN 0.471 nan 8.270 nan 0.000 0.452 240 F N -0.074 119.963 119.950 0.146 0.000 2.745 240 F HA 0.707 5.233 4.527 -0.000 0.000 0.316 240 F C -1.594 174.306 175.800 0.166 0.000 1.155 240 F CA -1.126 56.969 58.000 0.158 0.000 0.937 240 F CB 1.513 40.633 39.000 0.200 0.000 1.361 240 F HN 0.367 nan 8.300 nan 0.000 0.472 241 E N 1.122 121.639 120.200 0.527 0.000 2.287 241 E HA 0.543 4.893 4.350 -0.000 0.000 0.274 241 E C -2.120 174.681 176.600 0.335 0.000 0.896 241 E CA -0.763 55.863 56.400 0.377 0.000 0.788 241 E CB 2.494 32.350 29.700 0.262 0.000 1.244 241 E HN 0.659 nan 8.360 nan 0.000 0.408 242 V N 4.739 124.870 119.914 0.361 0.000 2.385 242 V HA 0.223 4.343 4.120 -0.000 0.000 0.269 242 V C -0.021 176.132 176.094 0.098 0.000 1.043 242 V CA -0.483 61.959 62.300 0.236 0.000 0.906 242 V CB 1.162 33.166 31.823 0.302 0.000 0.995 242 V HN 0.449 nan 8.190 nan 0.000 0.467 243 V N 6.342 126.267 119.914 0.017 0.000 2.427 243 V HA 0.456 4.575 4.120 -0.000 0.000 0.286 243 V C -0.014 176.019 176.094 -0.102 0.000 1.034 243 V CA -0.464 61.796 62.300 -0.068 0.000 0.893 243 V CB 1.869 33.663 31.823 -0.049 0.000 0.982 243 V HN 0.588 nan 8.190 nan 0.000 0.452 244 V N 6.454 126.242 119.914 -0.210 0.000 2.495 244 V HA 0.561 4.681 4.120 -0.000 0.000 0.298 244 V C -0.297 175.718 176.094 -0.131 0.000 1.031 244 V CA -0.417 61.770 62.300 -0.187 0.000 0.871 244 V CB 1.840 33.416 31.823 -0.411 0.000 0.988 244 V HN 0.674 nan 8.190 nan 0.000 0.432 245 I N 5.506 126.086 120.570 0.017 0.000 2.499 245 I HA 0.447 4.617 4.170 -0.000 0.000 0.288 245 I C -1.298 174.914 176.117 0.158 0.000 1.048 245 I CA -0.700 60.641 61.300 0.068 0.000 1.062 245 I CB 2.087 40.100 38.000 0.022 0.000 1.238 245 I HN 0.379 nan 8.210 nan 0.000 0.426 246 L N 6.947 128.309 121.223 0.232 0.000 2.333 246 L HA 0.531 4.871 4.340 -0.000 0.000 0.280 246 L C -0.740 176.214 176.870 0.141 0.000 1.004 246 L CA -0.021 54.951 54.840 0.220 0.000 0.820 246 L CB 1.514 43.755 42.059 0.302 0.000 1.247 246 L HN 0.512 nan 8.230 nan 0.000 0.416 247 E N 3.273 123.533 120.200 0.101 0.000 2.210 247 E HA 0.750 5.099 4.350 -0.000 0.000 0.266 247 E C -0.800 175.838 176.600 0.063 0.000 0.883 247 E CA -0.779 55.664 56.400 0.071 0.000 0.761 247 E CB 2.061 31.793 29.700 0.054 0.000 1.156 247 E HN 0.843 nan 8.360 nan 0.000 0.412 248 G N 2.391 111.220 108.800 0.048 0.000 2.704 248 G HA2 0.494 4.454 3.960 -0.000 0.000 0.293 248 G HA3 0.494 4.454 3.960 -0.000 0.000 0.293 248 G C -0.978 173.936 174.900 0.023 0.000 1.421 248 G CA -0.673 44.449 45.100 0.037 0.000 0.870 248 G HN 0.409 nan 8.290 nan 0.000 0.492 249 I N 1.385 121.964 120.570 0.014 0.000 2.342 249 I HA 0.207 4.377 4.170 -0.000 0.000 0.291 249 I C 0.171 176.286 176.117 -0.002 0.000 1.010 249 I CA -0.700 60.604 61.300 0.007 0.000 1.308 249 I CB 1.659 39.662 38.000 0.004 0.000 1.400 249 I HN 0.023 nan 8.210 nan 0.000 0.488 250 V N 7.034 126.947 119.914 -0.001 0.000 2.530 250 V HA 0.013 4.132 4.120 -0.000 0.000 0.282 250 V C 1.372 177.461 176.094 -0.008 0.000 1.048 250 V CA -0.277 62.020 62.300 -0.005 0.000 0.997 250 V CB 1.073 32.894 31.823 -0.003 0.000 0.987 250 V HN 0.890 nan 8.190 nan 0.000 0.477 251 E N 2.473 122.665 120.200 -0.014 0.000 2.152 251 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 251 E C 1.567 178.163 176.600 -0.008 0.000 0.983 251 E CA 1.423 57.815 56.400 -0.015 0.000 0.818 251 E CB -0.334 29.354 29.700 -0.022 0.000 0.758 251 E HN 0.681 nan 8.360 nan 0.000 0.467 252 T N 0.712 115.263 114.554 -0.006 0.000 2.685 252 T HA -0.161 4.188 4.350 -0.000 0.000 0.268 252 T C 1.003 175.704 174.700 0.002 0.000 1.034 252 T CA 2.001 64.099 62.100 -0.002 0.000 1.149 252 T CB -0.399 68.467 68.868 -0.003 0.000 0.860 252 T HN 0.565 nan 8.240 nan 0.000 0.449 253 T N -1.870 112.685 114.554 0.002 0.000 3.105 253 T HA 0.548 4.897 4.350 -0.000 0.000 0.321 253 T C 0.735 175.439 174.700 0.006 0.000 1.135 253 T CA -0.355 61.749 62.100 0.007 0.000 1.053 253 T CB 1.678 70.551 68.868 0.008 0.000 1.133 253 T HN 0.047 nan 8.240 nan 0.000 0.463 254 G N 3.177 111.982 108.800 0.008 0.000 3.024 254 G HA2 0.116 4.075 3.960 -0.000 0.000 0.202 254 G HA3 0.116 4.075 3.960 -0.000 0.000 0.202 254 G C 0.475 175.381 174.900 0.010 0.000 1.195 254 G CA 0.037 45.142 45.100 0.008 0.000 0.924 254 G HN 0.646 nan 8.290 nan 0.000 0.500 255 M N 1.348 120.954 119.600 0.010 0.000 2.108 255 M HA 0.208 4.687 4.480 -0.000 0.000 0.354 255 M C 0.228 176.535 176.300 0.011 0.000 1.229 255 M CA -0.106 55.200 55.300 0.011 0.000 1.081 255 M CB 0.753 33.358 32.600 0.009 0.000 1.606 255 M HN -0.170 nan 8.290 nan 0.000 0.467 256 T N 3.796 118.359 114.554 0.014 0.000 2.870 256 T HA 0.331 4.681 4.350 -0.000 0.000 0.300 256 T C 0.115 174.826 174.700 0.018 0.000 0.989 256 T CA -0.348 61.763 62.100 0.017 0.000 1.139 256 T CB 0.113 68.994 68.868 0.021 0.000 0.920 256 T HN 0.854 nan 8.240 nan 0.000 0.537 257 C N 4.179 123.491 119.300 0.021 0.000 2.707 257 C HA 0.872 5.332 4.460 -0.000 0.000 0.313 257 C C -0.511 174.501 174.990 0.036 0.000 1.209 257 C CA -1.005 58.027 59.018 0.023 0.000 1.635 257 C CB 1.167 28.917 27.740 0.017 0.000 2.206 257 C HN 1.009 nan 8.230 nan 0.000 0.485 258 Q N 2.935 122.761 119.800 0.043 0.000 2.416 258 Q HA 0.873 5.213 4.340 -0.000 0.000 0.279 258 Q C -1.047 175.006 176.000 0.088 0.000 1.101 258 Q CA -0.637 55.205 55.803 0.065 0.000 0.830 258 Q CB 2.249 31.021 28.738 0.057 0.000 1.402 258 Q HN 1.422 nan 8.270 nan 0.000 0.445 259 A N 1.356 124.263 122.820 0.145 0.000 2.515 259 A HA 0.847 5.167 4.320 -0.000 0.000 0.298 259 A C -1.281 176.478 177.584 0.292 0.000 1.059 259 A CA -0.902 51.271 52.037 0.227 0.000 0.698 259 A CB 1.778 20.933 19.000 0.257 0.000 1.289 259 A HN 0.807 nan 8.150 nan 0.000 0.404 260 R N -0.247 120.374 120.500 0.202 0.000 2.799 260 R HA 0.894 5.234 4.340 -0.000 0.000 0.270 260 R C -0.800 175.281 176.300 -0.365 0.000 1.010 260 R CA -0.668 55.386 56.100 -0.075 0.000 0.916 260 R CB 2.285 32.548 30.300 -0.062 0.000 1.228 260 R HN 0.750 nan 8.270 nan 0.000 0.469 261 T N -0.788 113.375 114.554 -0.652 0.000 2.711 261 T HA 0.540 4.890 4.350 -0.000 0.000 0.302 261 T C -1.778 172.568 174.700 -0.589 0.000 1.373 261 T CA -0.493 61.184 62.100 -0.704 0.000 1.000 261 T CB 1.773 69.959 68.868 -1.138 0.000 1.483 261 T HN 0.537 nan 8.240 nan 0.000 0.499 262 S N 0.228 115.552 115.700 -0.628 0.000 2.550 262 S HA 0.761 5.231 4.470 -0.000 0.000 0.270 262 S C -2.336 171.907 174.600 -0.596 0.000 1.145 262 S CA -0.512 57.420 58.200 -0.446 0.000 0.852 262 S CB 1.194 64.272 63.200 -0.204 0.000 1.119 262 S HN 0.612 nan 8.310 nan 0.000 0.465 263 Y N 2.013 122.293 120.300 -0.034 0.000 2.329 263 Y HA 0.393 4.943 4.550 -0.001 0.000 0.328 263 Y C 0.889 176.848 175.900 0.098 0.000 0.992 263 Y CA -0.748 57.373 58.100 0.035 0.000 1.151 263 Y CB 1.973 40.465 38.460 0.053 0.000 1.150 263 Y HN 0.808 nan 8.280 nan 0.000 0.450 264 T N -2.042 112.604 114.554 0.154 0.000 2.788 264 T HA 0.065 4.414 4.350 -0.000 0.000 0.280 264 T C 1.288 175.926 174.700 -0.105 0.000 0.984 264 T CA -0.538 61.573 62.100 0.018 0.000 0.972 264 T CB 1.025 69.868 68.868 -0.041 0.000 1.039 264 T HN 0.716 nan 8.240 nan 0.000 0.530 265 E N 1.413 121.291 120.200 -0.538 0.000 2.171 265 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 265 E C 1.179 177.654 176.600 -0.208 0.000 0.997 265 E CA 1.878 57.852 56.400 -0.709 0.000 0.810 265 E CB -0.673 28.467 29.700 -0.933 0.000 0.738 265 E HN 0.867 nan 8.360 nan 0.000 0.467 266 D N 0.962 121.280 120.400 -0.136 0.000 2.363 266 D HA -0.106 4.533 4.640 -0.000 0.000 0.220 266 D C 0.781 177.072 176.300 -0.014 0.000 0.994 266 D CA 0.419 54.379 54.000 -0.067 0.000 0.890 266 D CB -0.321 40.446 40.800 -0.054 0.000 0.906 266 D HN 0.443 nan 8.370 nan 0.000 0.530 267 E N 0.024 120.263 120.200 0.065 0.000 2.465 267 E HA 0.183 4.532 4.350 -0.000 0.000 0.195 267 E C -0.389 176.311 176.600 0.168 0.000 1.028 267 E CA -0.155 56.372 56.400 0.210 0.000 0.899 267 E CB 1.382 31.287 29.700 0.341 0.000 1.032 267 E HN 0.043 nan 8.360 nan 0.000 0.468 268 V N 2.600 122.547 119.914 0.055 0.000 2.357 268 V HA 0.252 4.372 4.120 -0.000 0.000 0.284 268 V C -0.319 175.731 176.094 -0.074 0.000 1.018 268 V CA -0.576 61.731 62.300 0.012 0.000 0.841 268 V CB 1.233 33.121 31.823 0.109 0.000 0.991 268 V HN 0.196 nan 8.190 nan 0.000 0.437 269 L N 4.739 125.846 121.223 -0.194 0.000 2.255 269 L HA 0.395 4.735 4.340 -0.000 0.000 0.289 269 L C -0.061 176.721 176.870 -0.147 0.000 1.046 269 L CA -0.242 54.414 54.840 -0.307 0.000 0.816 269 L CB 0.844 42.456 42.059 -0.746 0.000 1.197 269 L HN 0.644 nan 8.230 nan 0.000 0.427 270 W N 4.696 125.889 121.300 -0.179 0.000 2.253 270 W HA 0.241 4.901 4.660 -0.000 0.000 0.322 270 W C 0.919 177.428 176.519 -0.016 0.000 1.342 270 W CA 0.982 58.270 57.345 -0.095 0.000 1.218 270 W CB 1.303 30.716 29.460 -0.078 0.000 1.205 270 W HN 0.793 nan 8.180 nan 0.000 0.551 271 G N 3.320 111.973 108.800 -0.245 0.000 2.160 271 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.244 271 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.244 271 G C -0.113 174.748 174.900 -0.065 0.000 1.022 271 G CA 0.019 45.058 45.100 -0.101 0.000 0.741 271 G HN 0.789 nan 8.290 nan 0.000 0.508 272 H N -0.968 117.905 119.070 -0.328 0.000 2.710 272 H HA 0.714 5.270 4.556 -0.000 0.000 0.361 272 H C 0.160 175.157 175.328 -0.551 0.000 1.175 272 H CA -0.783 55.011 56.048 -0.424 0.000 1.206 272 H CB 2.029 31.563 29.762 -0.380 0.000 1.750 272 H HN 0.319 nan 8.280 nan 0.000 0.553 273 R N 1.663 121.740 120.500 -0.704 0.000 2.698 273 R HA 0.256 4.596 4.340 -0.000 0.000 0.275 273 R C -1.501 174.345 176.300 -0.757 0.000 1.001 273 R CA -0.605 55.059 56.100 -0.727 0.000 0.896 273 R CB 1.469 31.244 30.300 -0.875 0.000 1.218 273 R HN 0.302 nan 8.270 nan 0.000 0.462 274 F N 2.354 122.126 119.950 -0.296 0.000 2.418 274 F HA 0.314 4.841 4.527 -0.000 0.000 0.341 274 F C 0.316 176.109 175.800 -0.011 0.000 1.120 274 F CA 0.142 58.075 58.000 -0.111 0.000 1.232 274 F CB 0.600 39.551 39.000 -0.081 0.000 1.175 274 F HN 0.342 nan 8.300 nan 0.000 0.569 275 F N 3.381 123.550 119.950 0.366 0.000 2.382 275 F HA 0.290 4.817 4.527 -0.001 0.000 0.331 275 F C -1.588 174.330 175.800 0.197 0.000 1.121 275 F CA -1.650 56.547 58.000 0.329 0.000 1.183 275 F CB 0.305 39.455 39.000 0.249 0.000 1.207 275 F HN 0.235 nan 8.300 nan 0.000 0.555 276 P HA 0.077 nan 4.420 nan 0.000 0.274 276 P C 0.160 177.557 177.300 0.161 0.000 1.237 276 P CA -0.159 63.053 63.100 0.186 0.000 0.793 276 P CB 1.654 33.445 31.700 0.151 0.000 0.977 277 V N -1.471 118.494 119.914 0.084 0.000 3.621 277 V HA 0.258 4.378 4.120 -0.000 0.000 0.263 277 V C 0.848 177.002 176.094 0.099 0.000 1.272 277 V CA 0.371 62.722 62.300 0.086 0.000 1.080 277 V CB -0.135 31.706 31.823 0.030 0.000 0.816 277 V HN 0.230 nan 8.190 nan 0.000 0.451 278 I N 1.069 121.685 120.570 0.077 0.000 2.648 278 I HA 0.771 4.940 4.170 -0.000 0.000 0.304 278 I C -0.211 175.968 176.117 0.103 0.000 1.009 278 I CA -0.032 61.320 61.300 0.087 0.000 1.114 278 I CB 1.617 39.625 38.000 0.014 0.000 1.293 278 I HN 0.303 nan 8.210 nan 0.000 0.449 279 S N 4.360 120.142 115.700 0.138 0.000 2.543 279 S HA 0.531 5.001 4.470 -0.000 0.000 0.273 279 S C -1.455 173.230 174.600 0.141 0.000 1.152 279 S CA -0.524 57.748 58.200 0.121 0.000 0.910 279 S CB 1.048 64.311 63.200 0.104 0.000 1.105 279 S HN 0.304 nan 8.310 nan 0.000 0.465 280 L N 4.311 125.600 121.223 0.109 0.000 2.389 280 L HA 0.406 4.746 4.340 -0.000 0.000 0.265 280 L C 0.737 177.649 176.870 0.070 0.000 1.167 280 L CA 0.406 55.308 54.840 0.104 0.000 1.045 280 L CB 0.261 42.372 42.059 0.085 0.000 1.351 280 L HN 0.716 nan 8.230 nan 0.000 0.419 281 E N 2.435 122.673 120.200 0.063 0.000 2.888 281 E HA 0.210 4.560 4.350 -0.000 0.000 0.271 281 E C 0.411 177.026 176.600 0.026 0.000 1.527 281 E CA 0.460 56.884 56.400 0.039 0.000 1.700 281 E CB -0.342 29.377 29.700 0.032 0.000 1.410 281 E HN 0.612 nan 8.360 nan 0.000 0.445 282 E N -0.184 120.033 120.200 0.030 0.000 2.613 282 E HA -0.167 4.182 4.350 -0.000 0.000 0.161 282 E C 0.669 177.278 176.600 0.014 0.000 1.664 282 E CA 0.860 57.273 56.400 0.021 0.000 0.661 282 E CB -2.413 27.296 29.700 0.015 0.000 1.098 282 E HN 0.742 nan 8.360 nan 0.000 0.364 283 G N -1.869 106.942 108.800 0.019 0.000 2.882 283 G HA2 0.503 4.463 3.960 -0.000 0.000 0.198 283 G HA3 0.503 4.463 3.960 -0.000 0.000 0.198 283 G C 0.888 175.787 174.900 -0.000 0.000 1.977 283 G CA 1.139 46.243 45.100 0.007 0.000 1.541 283 G HN 2.093 nan 8.290 nan 0.000 0.567 284 F N 1.377 121.311 119.950 -0.028 0.000 2.523 284 F HA 0.807 5.334 4.527 -0.000 0.000 0.329 284 F C 0.281 176.064 175.800 -0.029 0.000 1.061 284 F CA -1.168 56.771 58.000 -0.101 0.000 0.967 284 F CB 0.748 39.632 39.000 -0.195 0.000 1.218 284 F HN 0.883 nan 8.300 nan 0.000 0.480 285 F N 0.874 120.839 119.950 0.025 0.000 2.394 285 F HA 0.714 5.240 4.527 -0.000 0.000 0.340 285 F C -0.240 175.582 175.800 0.036 0.000 1.105 285 F CA -1.833 56.185 58.000 0.031 0.000 1.124 285 F CB -0.036 38.984 39.000 0.033 0.000 1.145 285 F HN 0.865 nan 8.300 nan 0.000 0.505 286 K N 2.593 123.172 120.400 0.298 0.000 2.123 286 K HA 0.830 5.150 4.320 -0.000 0.000 0.259 286 K C -1.278 175.481 176.600 0.265 0.000 0.960 286 K CA -0.588 55.826 56.287 0.212 0.000 0.872 286 K CB 1.564 34.137 32.500 0.121 0.000 1.079 286 K HN 0.774 nan 8.250 nan 0.000 0.440 287 V N 1.235 121.288 119.914 0.233 0.000 2.815 287 V HA 0.659 4.778 4.120 -0.000 0.000 0.314 287 V C -1.104 175.113 176.094 0.205 0.000 1.064 287 V CA -0.605 61.837 62.300 0.235 0.000 0.952 287 V CB 2.025 34.011 31.823 0.272 0.000 1.020 287 V HN 1.023 nan 8.190 nan 0.000 0.439 288 D N 0.775 121.319 120.400 0.241 0.000 2.634 288 D HA 0.232 4.872 4.640 -0.000 0.000 0.236 288 D C -0.037 176.433 176.300 0.283 0.000 1.323 288 D CA -0.376 53.759 54.000 0.225 0.000 0.884 288 D CB 0.341 41.224 40.800 0.139 0.000 1.496 288 D HN 0.386 nan 8.370 nan 0.000 0.525 289 Y N 0.785 121.145 120.300 0.099 0.000 2.538 289 Y HA -0.160 4.389 4.550 -0.000 0.000 0.287 289 Y C 2.519 178.503 175.900 0.140 0.000 1.157 289 Y CA 1.511 59.682 58.100 0.117 0.000 1.338 289 Y CB -0.343 38.137 38.460 0.033 0.000 0.970 289 Y HN 0.384 nan 8.280 nan 0.000 0.564 290 S N -1.279 114.569 115.700 0.247 0.000 2.481 290 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 290 S C 1.497 176.196 174.600 0.165 0.000 0.996 290 S CA 0.678 58.986 58.200 0.180 0.000 0.942 290 S CB -0.060 63.208 63.200 0.113 0.000 0.768 290 S HN 0.375 nan 8.310 nan 0.000 0.520 291 Q N -0.317 119.578 119.800 0.158 0.000 2.319 291 Q HA 0.313 4.652 4.340 -0.000 0.000 0.202 291 Q C 1.125 177.250 176.000 0.209 0.000 0.896 291 Q CA -0.128 55.764 55.803 0.148 0.000 0.942 291 Q CB -0.543 28.265 28.738 0.117 0.000 1.083 291 Q HN 0.630 nan 8.270 nan 0.000 0.510 292 F N 1.793 121.745 119.950 0.003 0.000 2.063 292 F HA -0.289 4.238 4.527 -0.000 0.000 0.298 292 F C 1.978 177.737 175.800 -0.069 0.000 1.109 292 F CA 1.913 59.816 58.000 -0.162 0.000 1.212 292 F CB 0.167 38.923 39.000 -0.408 0.000 0.973 292 F HN 0.265 nan 8.300 nan 0.000 0.480 293 H N -0.756 118.551 119.070 0.395 0.000 2.563 293 H HA 0.371 4.927 4.556 -0.000 0.000 0.264 293 H C 0.875 176.438 175.328 0.390 0.000 0.957 293 H CA 0.512 56.791 56.048 0.386 0.000 1.173 293 H CB -0.642 29.313 29.762 0.322 0.000 1.420 293 H HN 0.182 nan 8.280 nan 0.000 0.551 294 A N 2.021 125.128 122.820 0.478 0.000 2.440 294 A HA 0.377 4.697 4.320 -0.000 0.000 0.251 294 A C 0.780 178.711 177.584 0.578 0.000 1.089 294 A CA 0.216 52.557 52.037 0.507 0.000 0.779 294 A CB 0.061 19.308 19.000 0.413 0.000 1.022 294 A HN 0.369 nan 8.150 nan 0.000 0.492 295 T N -0.624 114.191 114.554 0.437 0.000 2.883 295 T HA 0.800 5.150 4.350 -0.000 0.000 0.296 295 T C -0.575 174.223 174.700 0.164 0.000 1.117 295 T CA -0.544 61.610 62.100 0.090 0.000 1.006 295 T CB 1.291 70.067 68.868 -0.154 0.000 1.191 295 T HN 1.350 nan 8.240 nan 0.000 0.508 296 F N -1.125 118.613 119.950 -0.354 0.000 2.643 296 F HA 0.882 5.408 4.527 -0.001 0.000 0.314 296 F C -0.865 174.535 175.800 -0.668 0.000 1.096 296 F CA -1.462 56.281 58.000 -0.429 0.000 0.953 296 F CB 0.781 39.511 39.000 -0.451 0.000 1.345 296 F HN 0.515 nan 8.300 nan 0.000 0.468 297 E N 1.292 121.167 120.200 -0.541 0.000 2.366 297 E HA 0.529 4.879 4.350 -0.000 0.000 0.266 297 E C -0.555 175.888 176.600 -0.261 0.000 1.051 297 E CA -0.667 55.404 56.400 -0.549 0.000 0.884 297 E CB 1.363 30.885 29.700 -0.297 0.000 1.006 297 E HN 0.766 nan 8.360 nan 0.000 0.417 298 V N -1.130 118.626 119.914 -0.262 0.000 2.971 298 V HA 0.579 4.699 4.120 -0.000 0.000 0.309 298 V C -2.678 173.356 176.094 -0.100 0.000 1.130 298 V CA -3.120 59.088 62.300 -0.154 0.000 0.964 298 V CB 1.696 33.378 31.823 -0.236 0.000 1.029 298 V HN 0.422 nan 8.190 nan 0.000 0.427 299 P HA 0.290 nan 4.420 nan 0.000 0.257 299 P C -0.428 176.852 177.300 -0.034 0.000 1.189 299 P CA 0.852 63.937 63.100 -0.025 0.000 0.780 299 P CB 0.041 31.735 31.700 -0.010 0.000 0.772 300 T N 4.654 119.204 114.554 -0.006 0.000 2.991 300 T HA 0.408 4.758 4.350 -0.000 0.000 0.303 300 T C -2.551 172.213 174.700 0.106 0.000 1.015 300 T CA -1.385 60.714 62.100 -0.001 0.000 1.007 300 T CB 1.192 70.000 68.868 -0.100 0.000 1.034 300 T HN 0.084 nan 8.240 nan 0.000 0.446 301 P HA 0.203 nan 4.420 nan 0.000 0.269 301 P C -1.729 175.713 177.300 0.238 0.000 1.215 301 P CA -1.221 61.960 63.100 0.135 0.000 0.780 301 P CB 0.451 32.269 31.700 0.196 0.000 0.898 302 P HA -0.049 nan 4.420 nan 0.000 0.235 302 P C -0.227 176.907 177.300 -0.277 0.000 1.177 302 P CA 0.659 63.615 63.100 -0.239 0.000 0.785 302 P CB 0.184 31.601 31.700 -0.472 0.000 0.885 303 Y N 1.458 121.819 120.300 0.101 0.000 2.379 303 Y HA 0.126 4.676 4.550 -0.001 0.000 0.337 303 Y C 1.900 177.902 175.900 0.169 0.000 1.238 303 Y CA -0.661 57.477 58.100 0.064 0.000 1.405 303 Y CB 0.106 38.594 38.460 0.047 0.000 1.310 303 Y HN -0.068 nan 8.280 nan 0.000 0.569 304 S N -0.018 115.834 115.700 0.252 0.000 2.600 304 S HA 0.108 4.577 4.470 -0.000 0.000 0.265 304 S C 0.914 175.600 174.600 0.144 0.000 1.325 304 S CA -0.754 57.575 58.200 0.215 0.000 1.002 304 S CB 1.051 64.291 63.200 0.067 0.000 0.921 304 S HN 0.512 nan 8.310 nan 0.000 0.554 305 V N 1.677 121.652 119.914 0.101 0.000 2.407 305 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 305 V C 2.716 178.750 176.094 -0.101 0.000 1.055 305 V CA 2.271 64.613 62.300 0.069 0.000 1.049 305 V CB -1.085 30.847 31.823 0.182 0.000 0.662 305 V HN 1.014 nan 8.190 nan 0.000 0.455 306 K N 0.203 120.319 120.400 -0.472 0.000 2.026 306 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 306 K C 2.131 178.595 176.600 -0.226 0.000 1.048 306 K CA 1.943 57.829 56.287 -0.667 0.000 0.929 306 K CB -0.132 31.808 32.500 -0.934 0.000 0.713 306 K HN 0.589 nan 8.250 nan 0.000 0.439 307 E N 0.342 120.462 120.200 -0.135 0.000 2.077 307 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 307 E C 2.242 178.771 176.600 -0.117 0.000 0.989 307 E CA 1.321 57.668 56.400 -0.088 0.000 0.800 307 E CB -0.013 29.679 29.700 -0.014 0.000 0.746 307 E HN 0.408 nan 8.360 nan 0.000 0.452 308 Q N 0.544 120.303 119.800 -0.068 0.000 2.135 308 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 308 Q C 2.147 178.114 176.000 -0.055 0.000 0.981 308 Q CA 1.247 57.002 55.803 -0.080 0.000 0.856 308 Q CB -0.058 28.688 28.738 0.014 0.000 0.902 308 Q HN 0.316 nan 8.270 nan 0.000 0.425 309 E N 0.924 121.112 120.200 -0.018 0.000 2.031 309 E HA -0.228 4.121 4.350 -0.000 0.000 0.193 309 E C 1.824 178.418 176.600 -0.010 0.000 0.994 309 E CA 1.432 57.840 56.400 0.014 0.000 0.800 309 E CB 0.104 29.852 29.700 0.080 0.000 0.752 309 E HN 0.462 nan 8.360 nan 0.000 0.447 310 E N 0.005 120.187 120.200 -0.030 0.000 2.204 310 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 310 E C 2.116 178.683 176.600 -0.054 0.000 0.989 310 E CA 0.872 57.252 56.400 -0.033 0.000 0.824 310 E CB -0.298 29.380 29.700 -0.037 0.000 0.756 310 E HN 0.309 nan 8.360 nan 0.000 0.477 311 M N 0.737 120.283 119.600 -0.091 0.000 2.229 311 M HA -0.046 4.434 4.480 -0.000 0.000 0.264 311 M C 2.254 178.510 176.300 -0.073 0.000 1.063 311 M CA 1.074 56.305 55.300 -0.114 0.000 1.114 311 M CB 0.063 32.541 32.600 -0.204 0.000 1.387 311 M HN 0.206 nan 8.290 nan 0.000 0.420 312 L N -0.142 121.049 121.223 -0.053 0.000 2.072 312 L HA -0.190 4.150 4.340 -0.000 0.000 0.205 312 L C 2.072 178.930 176.870 -0.020 0.000 1.079 312 L CA 1.163 55.985 54.840 -0.030 0.000 0.752 312 L CB -0.178 41.872 42.059 -0.015 0.000 0.906 312 L HN 0.335 nan 8.230 nan 0.000 0.436 313 L N -1.035 120.179 121.223 -0.016 0.000 2.017 313 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 313 L C 2.403 179.265 176.870 -0.013 0.000 1.073 313 L CA 1.160 55.995 54.840 -0.008 0.000 0.745 313 L CB -0.340 41.718 42.059 -0.001 0.000 0.894 313 L HN 0.323 nan 8.230 nan 0.000 0.432 314 M N -0.551 119.036 119.600 -0.021 0.000 2.686 314 M HA -0.085 4.395 4.480 -0.000 0.000 0.246 314 M C 2.020 178.307 176.300 -0.022 0.000 1.096 314 M CA 0.999 56.286 55.300 -0.022 0.000 1.076 314 M CB -0.379 32.204 32.600 -0.029 0.000 1.504 314 M HN 0.344 nan 8.290 nan 0.000 0.524 315 S N -2.086 113.601 115.700 -0.023 0.000 2.527 315 S HA 0.146 4.616 4.470 -0.000 0.000 0.225 315 S C 0.973 175.565 174.600 -0.013 0.000 1.046 315 S CA 0.119 58.307 58.200 -0.020 0.000 0.929 315 S CB -0.977 62.208 63.200 -0.025 0.000 0.851 315 S HN 0.505 nan 8.310 nan 0.000 0.565 316 S N 3.878 119.571 115.700 -0.011 0.000 2.558 316 S HA 0.211 4.680 4.470 -0.000 0.000 0.293 316 S C -1.138 173.459 174.600 -0.006 0.000 1.292 316 S CA -0.520 57.675 58.200 -0.007 0.000 1.063 316 S CB 0.202 63.398 63.200 -0.005 0.000 0.831 316 S HN 0.519 nan 8.310 nan 0.000 0.499 317 P HA 0.154 nan 4.420 nan 0.000 0.230 317 P C 1.118 178.416 177.300 -0.003 0.000 1.168 317 P CA 0.536 63.633 63.100 -0.004 0.000 0.793 317 P CB -0.299 31.399 31.700 -0.003 0.000 0.851 318 L N 0.000 121.222 121.223 -0.002 0.000 2.949 318 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 318 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 318 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 318 L HN 0.000 nan 8.230 nan 0.000 0.502