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 3org_1_D DATA FIRST_RESID 88 DATA SEQUENCE SLMYLLRLVC FLTLLGVTAA LFIFAVDLAV HGLEELRMKI SRLAGRFAGY DATA SEQUENCE ILYVVSGVAL CLLSTFWCAV LSTEAEGSGL PQMKSILSGF YDKMRSALEL DATA SEQUENCE RVLFAKALGL ICAIGGGLPV GWEGPNVHIA CIIAHQFYRL GVFKELCTDR DATA SEQUENCE ALRLQTLAAA CAVGLASSFG APLGGVLYSI ETIASFYLVQ AFWKGVLSAL DATA SEQUENCE SGAIVYELXX XXXXXXXXXX XXXXXXDVSR TQTLLYAILG ALMGVLGALF DATA SEQUENCE IRCVRSIYEL RMRHYPGTNR YFLVGVVALF ASALQYPFXX XXXXPRATIN DATA SEQUENCE DLFKAVXXXX XXXXXXTELI LMPIIKFILV ALSIGLPLPA GVFVPSFLIG DATA SEQUENCE AGFGRLYGEL MRVVFGNAIV PGSYAVVGAA AFTAGVTRAL SCAVIIFEVT DATA SEQUENCE GQIRHLVPVL ISVLLAVIVG NAFNRSLYET LVLMKHLPYM PILRRDRSPE DATA SEQUENCE MTAREIMHPI EGEPHLFPDS EPQHIKGILE KFPNRLVFPV IDANGYLLGA DATA SEQUENCE ISRKEIVDRL QHVXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXVV PCDVSPIVVT SYSLVRQLHF LFVMLMPSMI DATA SEQUENCE YVTERGKLVG IVEREDVAYG YSN 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 88 S HA 0.000 nan 4.470 nan 0.000 0.327 88 S C 0.000 174.633 174.600 0.055 0.000 1.055 88 S CA 0.000 58.208 58.200 0.014 0.000 1.107 88 S CB 0.000 63.192 63.200 -0.014 0.000 0.593 89 L N 1.108 122.377 121.223 0.076 0.000 2.624 89 L HA 0.466 4.807 4.340 0.002 0.000 0.222 89 L C 1.587 178.519 176.870 0.103 0.000 1.046 89 L CA 0.837 55.722 54.840 0.074 0.000 0.872 89 L CB -0.211 41.871 42.059 0.039 0.000 1.190 89 L HN 0.144 nan 8.230 nan 0.000 0.487 90 M N -1.190 118.471 119.600 0.101 0.000 2.296 90 M HA -0.162 4.319 4.480 0.002 0.000 0.265 90 M C 2.091 178.467 176.300 0.126 0.000 1.064 90 M CA 1.388 56.743 55.300 0.092 0.000 1.109 90 M CB -1.199 31.441 32.600 0.065 0.000 1.396 90 M HN 0.326 nan 8.290 nan 0.000 0.430 91 Y N 0.691 121.016 120.300 0.041 0.000 2.089 91 Y HA -0.250 4.301 4.550 0.002 0.000 0.282 91 Y C 2.314 178.266 175.900 0.088 0.000 1.139 91 Y CA 1.796 59.929 58.100 0.055 0.000 1.123 91 Y CB -0.476 38.009 38.460 0.042 0.000 0.980 91 Y HN 0.106 nan 8.280 nan 0.000 0.493 92 L N -0.134 121.312 121.223 0.371 0.000 2.046 92 L HA -0.195 4.147 4.340 0.002 0.000 0.208 92 L C 2.180 179.177 176.870 0.211 0.000 1.077 92 L CA 1.664 56.680 54.840 0.292 0.000 0.747 92 L CB -0.725 41.429 42.059 0.159 0.000 0.896 92 L HN 0.315 nan 8.230 nan 0.000 0.432 93 L N -1.320 119.993 121.223 0.151 0.000 2.201 93 L HA -0.158 4.184 4.340 0.002 0.000 0.212 93 L C 2.646 179.606 176.870 0.150 0.000 1.105 93 L CA 0.575 55.492 54.840 0.128 0.000 0.775 93 L CB -0.498 41.615 42.059 0.090 0.000 0.913 93 L HN 0.248 nan 8.230 nan 0.000 0.440 94 R N 0.703 121.285 120.500 0.136 0.000 2.066 94 R HA -0.149 4.192 4.340 0.002 0.000 0.232 94 R C 2.081 178.525 176.300 0.240 0.000 1.131 94 R CA 1.529 57.734 56.100 0.175 0.000 0.955 94 R CB -0.774 29.566 30.300 0.066 0.000 0.851 94 R HN 0.115 nan 8.270 nan 0.000 0.432 95 L N -0.227 121.078 121.223 0.137 0.000 1.994 95 L HA -0.107 4.234 4.340 0.002 0.000 0.208 95 L C 2.192 179.164 176.870 0.169 0.000 1.071 95 L CA 1.531 56.441 54.840 0.117 0.000 0.745 95 L CB -0.628 41.520 42.059 0.148 0.000 0.892 95 L HN 0.046 nan 8.230 nan 0.000 0.431 96 V N -1.522 118.534 119.914 0.237 0.000 2.287 96 V HA -0.403 3.719 4.120 0.002 0.000 0.248 96 V C 2.683 178.845 176.094 0.114 0.000 1.053 96 V CA 1.932 64.357 62.300 0.208 0.000 1.027 96 V CB -1.035 30.915 31.823 0.211 0.000 0.646 96 V HN 0.623 nan 8.190 nan 0.000 0.447 97 C N -0.665 118.731 119.300 0.161 0.000 2.398 97 C HA -0.216 4.245 4.460 0.002 0.000 0.276 97 C C 2.590 177.631 174.990 0.084 0.000 1.222 97 C CA 1.628 60.756 59.018 0.184 0.000 1.746 97 C CB -1.105 26.831 27.740 0.326 0.000 2.039 97 C HN 0.680 nan 8.230 nan 0.000 0.470 98 F N 1.096 120.918 119.950 -0.213 0.000 2.075 98 F HA -0.087 4.441 4.527 0.002 0.000 0.297 98 F C 2.021 177.441 175.800 -0.635 0.000 1.113 98 F CA 1.756 59.249 58.000 -0.845 0.000 1.218 98 F CB -0.576 37.813 39.000 -1.018 0.000 0.984 98 F HN 0.108 nan 8.300 nan 0.000 0.472 99 L N -0.343 120.666 121.223 -0.356 0.000 2.083 99 L HA -0.222 4.120 4.340 0.002 0.000 0.209 99 L C 2.281 178.905 176.870 -0.410 0.000 1.083 99 L CA 1.793 56.386 54.840 -0.411 0.000 0.752 99 L CB -1.243 40.683 42.059 -0.221 0.000 0.899 99 L HN 0.180 nan 8.230 nan 0.000 0.433 100 T N -0.166 114.220 114.554 -0.280 0.000 2.812 100 T HA -0.099 4.253 4.350 0.002 0.000 0.264 100 T C 1.955 176.475 174.700 -0.300 0.000 1.042 100 T CA 1.019 62.988 62.100 -0.217 0.000 1.140 100 T CB -0.224 68.585 68.868 -0.099 0.000 0.870 100 T HN 0.164 nan 8.240 nan 0.000 0.445 101 L N 0.422 121.410 121.223 -0.392 0.000 2.201 101 L HA 0.073 4.415 4.340 0.002 0.000 0.212 101 L C 2.308 178.685 176.870 -0.822 0.000 1.105 101 L CA 0.659 55.229 54.840 -0.450 0.000 0.775 101 L CB -0.331 41.548 42.059 -0.301 0.000 0.913 101 L HN 0.256 nan 8.230 nan 0.000 0.440 102 L N -0.815 119.733 121.223 -1.125 0.000 1.993 102 L HA -0.079 4.262 4.340 0.002 0.000 0.206 102 L C 2.460 179.001 176.870 -0.549 0.000 1.074 102 L CA 1.661 55.864 54.840 -1.063 0.000 0.746 102 L CB -0.785 40.560 42.059 -1.190 0.000 0.896 102 L HN 0.260 nan 8.230 nan 0.000 0.435 103 G N -0.502 108.030 108.800 -0.446 0.000 2.476 103 G HA2 -0.267 3.695 3.960 0.002 0.000 0.218 103 G HA3 -0.267 3.695 3.960 0.002 0.000 0.218 103 G C 1.502 176.270 174.900 -0.220 0.000 1.164 103 G CA 1.155 46.086 45.100 -0.282 0.000 0.768 103 G HN 0.319 nan 8.290 nan 0.000 0.560 104 V N 1.561 121.346 119.914 -0.215 0.000 2.214 104 V HA -0.238 3.884 4.120 0.002 0.000 0.247 104 V C 3.350 179.356 176.094 -0.146 0.000 1.051 104 V CA 2.821 65.020 62.300 -0.167 0.000 1.003 104 V CB -1.245 30.498 31.823 -0.133 0.000 0.635 104 V HN 0.666 nan 8.190 nan 0.000 0.447 105 T N -1.576 112.914 114.554 -0.108 0.000 3.051 105 T HA -0.013 4.338 4.350 0.002 0.000 0.269 105 T C 1.647 176.337 174.700 -0.017 0.000 1.127 105 T CA 1.324 63.417 62.100 -0.013 0.000 1.107 105 T CB -0.244 68.698 68.868 0.123 0.000 0.898 105 T HN 0.481 nan 8.240 nan 0.000 0.517 106 A N 1.897 124.653 122.820 -0.107 0.000 1.843 106 A HA 0.554 4.876 4.320 0.002 0.000 0.213 106 A C 2.792 180.329 177.584 -0.077 0.000 1.202 106 A CA 1.192 53.162 52.037 -0.111 0.000 0.607 106 A CB -1.399 17.493 19.000 -0.181 0.000 0.847 106 A HN 0.718 nan 8.150 nan 0.000 0.445 107 A N -1.097 121.642 122.820 -0.135 0.000 2.125 107 A HA 0.070 4.392 4.320 0.002 0.000 0.219 107 A C 2.051 179.432 177.584 -0.338 0.000 1.156 107 A CA 1.480 53.385 52.037 -0.220 0.000 0.671 107 A CB -0.470 18.374 19.000 -0.260 0.000 0.794 107 A HN 0.490 nan 8.150 nan 0.000 0.459 108 L N -2.420 118.693 121.223 -0.182 0.000 2.102 108 L HA 0.113 4.454 4.340 0.002 0.000 0.202 108 L C 2.152 179.035 176.870 0.023 0.000 1.076 108 L CA 1.408 56.172 54.840 -0.126 0.000 0.761 108 L CB -0.397 41.609 42.059 -0.088 0.000 0.921 108 L HN 0.433 nan 8.230 nan 0.000 0.444 109 F N -0.339 119.563 119.950 -0.080 0.000 2.134 109 F HA -0.233 4.295 4.527 0.002 0.000 0.299 109 F C 2.136 177.910 175.800 -0.044 0.000 1.097 109 F CA 1.386 59.353 58.000 -0.054 0.000 1.264 109 F CB 0.057 39.008 39.000 -0.082 0.000 1.001 109 F HN 0.002 nan 8.300 nan 0.000 0.479 110 I N -0.510 120.148 120.570 0.148 0.000 2.546 110 I HA -0.242 3.929 4.170 0.002 0.000 0.255 110 I C 2.259 178.422 176.117 0.077 0.000 1.163 110 I CA 1.088 62.406 61.300 0.029 0.000 1.457 110 I CB -1.776 36.158 38.000 -0.109 0.000 1.092 110 I HN 0.181 nan 8.210 nan 0.000 0.434 111 F N 2.120 122.032 119.950 -0.064 0.000 2.186 111 F HA -0.124 4.405 4.527 0.002 0.000 0.299 111 F C 2.461 178.239 175.800 -0.036 0.000 1.090 111 F CA 1.509 59.497 58.000 -0.019 0.000 1.307 111 F CB -0.060 38.816 39.000 -0.205 0.000 1.019 111 F HN 0.025 nan 8.300 nan 0.000 0.489 112 A N -0.524 122.287 122.820 -0.016 0.000 1.968 112 A HA -0.044 4.277 4.320 0.002 0.000 0.217 112 A C 2.258 179.726 177.584 -0.193 0.000 1.169 112 A CA 1.485 53.433 52.037 -0.148 0.000 0.638 112 A CB -1.222 17.646 19.000 -0.220 0.000 0.812 112 A HN 0.250 nan 8.150 nan 0.000 0.446 113 V N 0.599 120.414 119.914 -0.165 0.000 2.261 113 V HA -0.257 3.864 4.120 0.002 0.000 0.246 113 V C 2.465 178.597 176.094 0.063 0.000 1.047 113 V CA 2.422 64.699 62.300 -0.039 0.000 1.015 113 V CB -0.684 31.176 31.823 0.061 0.000 0.642 113 V HN 0.618 nan 8.190 nan 0.000 0.446 114 D N -0.224 120.255 120.400 0.132 0.000 2.123 114 D HA -0.165 4.476 4.640 0.002 0.000 0.196 114 D C 1.995 178.208 176.300 -0.146 0.000 0.992 114 D CA 1.207 55.274 54.000 0.112 0.000 0.833 114 D CB -0.140 40.746 40.800 0.142 0.000 0.954 114 D HN 0.304 nan 8.370 nan 0.000 0.455 115 L N 0.371 121.413 121.223 -0.301 0.000 2.141 115 L HA 0.006 4.347 4.340 0.002 0.000 0.209 115 L C 2.182 178.990 176.870 -0.104 0.000 1.094 115 L CA 1.807 56.469 54.840 -0.296 0.000 0.763 115 L CB -0.576 41.281 42.059 -0.336 0.000 0.908 115 L HN 0.042 nan 8.230 nan 0.000 0.437 116 A N -1.917 120.861 122.820 -0.071 0.000 2.067 116 A HA -0.001 4.321 4.320 0.002 0.000 0.217 116 A C 2.137 179.729 177.584 0.013 0.000 1.156 116 A CA 1.218 53.237 52.037 -0.029 0.000 0.683 116 A CB -0.555 18.417 19.000 -0.047 0.000 0.808 116 A HN 0.247 nan 8.150 nan 0.000 0.455 117 V N -0.684 119.256 119.914 0.044 0.000 2.488 117 V HA -0.179 3.942 4.120 0.002 0.000 0.246 117 V C 2.110 178.236 176.094 0.053 0.000 1.046 117 V CA 1.604 63.936 62.300 0.054 0.000 1.053 117 V CB -1.015 30.848 31.823 0.066 0.000 0.679 117 V HN 0.666 nan 8.190 nan 0.000 0.458 118 H N -0.215 118.809 119.070 -0.077 0.000 2.524 118 H HA -0.011 4.546 4.556 0.002 0.000 0.282 118 H C 2.187 177.486 175.328 -0.049 0.000 1.016 118 H CA 0.992 56.997 56.048 -0.071 0.000 1.270 118 H CB 0.280 29.989 29.762 -0.089 0.000 1.394 118 H HN 0.519 nan 8.280 nan 0.000 0.568 119 G N 0.416 109.253 108.800 0.061 0.000 2.486 119 G HA2 -0.113 3.848 3.960 0.002 0.000 0.210 119 G HA3 -0.113 3.848 3.960 0.002 0.000 0.210 119 G C 1.588 176.492 174.900 0.006 0.000 1.168 119 G CA -0.161 44.954 45.100 0.025 0.000 0.820 119 G HN 0.192 nan 8.290 nan 0.000 0.544 120 L N 0.941 122.166 121.223 0.003 0.000 2.191 120 L HA 0.023 4.365 4.340 0.002 0.000 0.212 120 L C 2.590 179.442 176.870 -0.029 0.000 1.103 120 L CA 2.114 56.951 54.840 -0.005 0.000 0.769 120 L CB -0.075 41.987 42.059 0.006 0.000 0.908 120 L HN 0.366 nan 8.230 nan 0.000 0.438 121 E N -0.124 120.051 120.200 -0.041 0.000 2.076 121 E HA -0.200 4.151 4.350 0.002 0.000 0.190 121 E C 1.922 178.502 176.600 -0.034 0.000 0.979 121 E CA 1.596 57.960 56.400 -0.060 0.000 0.807 121 E CB -0.217 29.428 29.700 -0.092 0.000 0.761 121 E HN 0.586 nan 8.360 nan 0.000 0.454 122 E N -0.143 120.044 120.200 -0.022 0.000 2.152 122 E HA -0.093 4.258 4.350 0.002 0.000 0.192 122 E C 1.975 178.576 176.600 0.003 0.000 0.983 122 E CA 0.653 57.051 56.400 -0.002 0.000 0.818 122 E CB -0.102 29.599 29.700 0.002 0.000 0.758 122 E HN 0.212 nan 8.360 nan 0.000 0.467 123 L N 1.362 122.581 121.223 -0.005 0.000 1.955 123 L HA -0.214 4.127 4.340 0.002 0.000 0.213 123 L C 2.494 179.355 176.870 -0.015 0.000 1.072 123 L CA 1.827 56.663 54.840 -0.006 0.000 0.755 123 L CB -0.296 41.759 42.059 -0.008 0.000 0.888 123 L HN -0.069 nan 8.230 nan 0.000 0.432 124 R N -1.259 119.215 120.500 -0.043 0.000 2.154 124 R HA -0.274 4.067 4.340 0.002 0.000 0.248 124 R C 2.180 178.459 176.300 -0.035 0.000 1.155 124 R CA 2.314 58.358 56.100 -0.093 0.000 0.979 124 R CB -0.294 29.892 30.300 -0.191 0.000 0.869 124 R HN 0.401 nan 8.270 nan 0.000 0.452 125 M N 0.252 119.874 119.600 0.037 0.000 2.236 125 M HA -0.013 4.468 4.480 0.002 0.000 0.266 125 M C 1.706 178.054 176.300 0.080 0.000 1.070 125 M CA 1.626 57.003 55.300 0.128 0.000 1.137 125 M CB 0.198 32.868 32.600 0.116 0.000 1.378 125 M HN -0.038 nan 8.290 nan 0.000 0.426 126 K N -0.134 120.290 120.400 0.039 0.000 2.026 126 K HA -0.135 4.186 4.320 0.002 0.000 0.208 126 K C 1.737 178.352 176.600 0.024 0.000 1.048 126 K CA 1.697 57.999 56.287 0.025 0.000 0.929 126 K CB -0.420 32.088 32.500 0.013 0.000 0.713 126 K HN 0.228 nan 8.250 nan 0.000 0.439 127 I N 0.992 121.574 120.570 0.020 0.000 2.185 127 I HA -0.371 3.800 4.170 0.002 0.000 0.246 127 I C 2.169 178.305 176.117 0.032 0.000 1.088 127 I CA 1.510 62.819 61.300 0.016 0.000 1.347 127 I CB -0.218 37.782 38.000 -0.001 0.000 1.041 127 I HN 0.064 nan 8.210 nan 0.000 0.415 128 S N -0.330 115.410 115.700 0.067 0.000 2.362 128 S HA -0.055 4.416 4.470 0.002 0.000 0.221 128 S C 1.952 176.574 174.600 0.037 0.000 1.032 128 S CA 0.865 59.118 58.200 0.088 0.000 0.973 128 S CB -0.194 63.129 63.200 0.205 0.000 0.849 128 S HN 0.378 nan 8.310 nan 0.000 0.465 129 R N 1.049 121.567 120.500 0.030 0.000 2.316 129 R HA 0.056 4.397 4.340 0.002 0.000 0.202 129 R C 2.042 178.332 176.300 -0.016 0.000 1.029 129 R CA 0.504 56.602 56.100 -0.003 0.000 1.018 129 R CB -0.364 29.937 30.300 0.001 0.000 0.888 129 R HN 0.422 nan 8.270 nan 0.000 0.471 130 L N -2.186 119.032 121.223 -0.008 0.000 2.307 130 L HA 0.305 4.647 4.340 0.002 0.000 0.211 130 L C 0.989 177.846 176.870 -0.023 0.000 1.099 130 L CA 0.616 55.449 54.840 -0.012 0.000 0.816 130 L CB -0.111 41.947 42.059 -0.002 0.000 0.952 130 L HN -0.132 nan 8.230 nan 0.000 0.455 131 A N 0.366 123.168 122.820 -0.030 0.000 2.239 131 A HA 0.685 5.006 4.320 0.002 0.000 0.303 131 A C 0.813 178.316 177.584 -0.134 0.000 1.114 131 A CA -0.192 51.815 52.037 -0.050 0.000 0.871 131 A CB -0.609 18.378 19.000 -0.022 0.000 1.201 131 A HN 0.365 nan 8.150 nan 0.000 0.506 132 G N -1.402 107.256 108.800 -0.236 0.000 2.716 132 G HA2 0.279 4.240 3.960 0.002 0.000 0.251 132 G HA3 0.279 4.240 3.960 0.002 0.000 0.251 132 G C 0.798 175.308 174.900 -0.649 0.000 1.224 132 G CA 0.286 45.035 45.100 -0.584 0.000 0.891 132 G HN 0.894 nan 8.290 nan 0.000 0.561 133 R N -0.108 119.928 120.500 -0.774 0.000 2.062 133 R HA -0.062 4.279 4.340 0.002 0.000 0.229 133 R C 2.462 178.602 176.300 -0.265 0.000 1.128 133 R CA 1.947 57.810 56.100 -0.395 0.000 0.960 133 R CB -0.408 29.750 30.300 -0.236 0.000 0.855 133 R HN 0.638 nan 8.270 nan 0.000 0.432 134 F N -0.017 119.964 119.950 0.051 0.000 2.043 134 F HA -0.089 4.439 4.527 0.002 0.000 0.297 134 F C 2.332 178.192 175.800 0.101 0.000 1.121 134 F CA 0.996 59.040 58.000 0.073 0.000 1.199 134 F CB -1.222 37.807 39.000 0.050 0.000 0.968 134 F HN 0.020 nan 8.300 nan 0.000 0.478 135 A N 0.795 123.762 122.820 0.244 0.000 2.016 135 A HA 0.191 4.512 4.320 0.002 0.000 0.217 135 A C 2.421 180.053 177.584 0.079 0.000 1.162 135 A CA 1.024 53.174 52.037 0.187 0.000 0.662 135 A CB -1.668 17.460 19.000 0.212 0.000 0.812 135 A HN 0.519 nan 8.150 nan 0.000 0.450 136 G N -1.532 107.266 108.800 -0.003 0.000 2.462 136 G HA2 -0.265 3.696 3.960 0.002 0.000 0.220 136 G HA3 -0.265 3.696 3.960 0.002 0.000 0.220 136 G C 1.442 176.426 174.900 0.140 0.000 1.121 136 G CA 1.326 46.443 45.100 0.029 0.000 0.758 136 G HN 0.582 nan 8.290 nan 0.000 0.559 137 Y N 1.068 121.377 120.300 0.015 0.000 2.269 137 Y HA 0.168 4.719 4.550 0.002 0.000 0.294 137 Y C 2.460 178.420 175.900 0.101 0.000 1.120 137 Y CA 0.483 58.604 58.100 0.036 0.000 1.159 137 Y CB -0.182 38.283 38.460 0.009 0.000 1.024 137 Y HN 0.173 nan 8.280 nan 0.000 0.532 138 I N -0.245 120.291 120.570 -0.057 0.000 2.315 138 I HA -0.275 3.897 4.170 0.002 0.000 0.248 138 I C 2.178 178.263 176.117 -0.053 0.000 1.117 138 I CA 1.056 62.273 61.300 -0.137 0.000 1.404 138 I CB -0.405 37.575 38.000 -0.033 0.000 1.071 138 I HN 0.167 nan 8.210 nan 0.000 0.419 139 L N -0.657 120.577 121.223 0.019 0.000 2.362 139 L HA -0.209 4.133 4.340 0.002 0.000 0.219 139 L C 2.490 179.381 176.870 0.035 0.000 1.134 139 L CA 1.047 55.901 54.840 0.023 0.000 0.807 139 L CB -0.461 41.620 42.059 0.036 0.000 0.927 139 L HN 0.271 nan 8.230 nan 0.000 0.447 140 Y N -0.152 120.116 120.300 -0.054 0.000 2.184 140 Y HA -0.198 4.353 4.550 0.002 0.000 0.290 140 Y C 2.342 178.196 175.900 -0.077 0.000 1.129 140 Y CA 1.559 59.634 58.100 -0.042 0.000 1.144 140 Y CB 0.028 38.495 38.460 0.011 0.000 0.995 140 Y HN -0.144 nan 8.280 nan 0.000 0.513 141 V N -1.363 118.550 119.914 -0.001 0.000 2.307 141 V HA -0.267 3.854 4.120 0.002 0.000 0.245 141 V C 2.264 178.314 176.094 -0.074 0.000 1.045 141 V CA 1.596 63.855 62.300 -0.068 0.000 1.024 141 V CB -0.983 30.740 31.823 -0.167 0.000 0.651 141 V HN 0.267 nan 8.190 nan 0.000 0.449 142 V N 1.388 121.261 119.914 -0.067 0.000 2.287 142 V HA -0.257 3.864 4.120 0.002 0.000 0.248 142 V C 2.809 178.866 176.094 -0.061 0.000 1.053 142 V CA 2.448 64.718 62.300 -0.050 0.000 1.027 142 V CB -0.860 30.941 31.823 -0.036 0.000 0.646 142 V HN 0.780 nan 8.190 nan 0.000 0.447 143 S N 0.716 116.363 115.700 -0.088 0.000 2.382 143 S HA -0.125 4.347 4.470 0.002 0.000 0.228 143 S C 2.079 176.605 174.600 -0.123 0.000 1.027 143 S CA 1.469 59.603 58.200 -0.108 0.000 0.991 143 S CB -0.961 62.150 63.200 -0.149 0.000 0.823 143 S HN 0.560 nan 8.310 nan 0.000 0.469 144 G N 1.436 110.143 108.800 -0.156 0.000 2.404 144 G HA2 -0.088 3.873 3.960 0.002 0.000 0.215 144 G HA3 -0.088 3.873 3.960 0.002 0.000 0.215 144 G C 1.444 176.313 174.900 -0.051 0.000 1.174 144 G CA 0.970 45.993 45.100 -0.128 0.000 0.780 144 G HN 0.483 nan 8.290 nan 0.000 0.537 145 V N 1.719 121.614 119.914 -0.032 0.000 2.307 145 V HA -0.118 4.004 4.120 0.002 0.000 0.245 145 V C 3.354 179.454 176.094 0.010 0.000 1.045 145 V CA 1.943 64.244 62.300 0.002 0.000 1.024 145 V CB -1.059 30.771 31.823 0.011 0.000 0.651 145 V HN 0.472 nan 8.190 nan 0.000 0.449 146 A N -0.046 122.768 122.820 -0.010 0.000 1.903 146 A HA -0.257 4.065 4.320 0.002 0.000 0.219 146 A C 2.219 179.806 177.584 0.005 0.000 1.191 146 A CA 2.303 54.333 52.037 -0.011 0.000 0.638 146 A CB -0.718 18.262 19.000 -0.033 0.000 0.823 146 A HN 0.517 nan 8.150 nan 0.000 0.451 147 L N -1.218 120.007 121.223 0.003 0.000 2.291 147 L HA -0.172 4.169 4.340 0.002 0.000 0.214 147 L C 2.415 179.324 176.870 0.064 0.000 1.120 147 L CA 0.678 55.540 54.840 0.036 0.000 0.799 147 L CB -0.351 41.717 42.059 0.016 0.000 0.925 147 L HN 0.523 nan 8.230 nan 0.000 0.446 148 C N -0.587 118.742 119.300 0.048 0.000 2.464 148 C HA -0.010 4.451 4.460 0.002 0.000 0.278 148 C C 2.554 177.587 174.990 0.071 0.000 1.375 148 C CA 0.101 59.154 59.018 0.059 0.000 1.761 148 C CB -0.529 27.236 27.740 0.042 0.000 1.944 148 C HN 0.438 nan 8.230 nan 0.000 0.509 149 L N -0.029 121.246 121.223 0.086 0.000 2.109 149 L HA -0.075 4.267 4.340 0.002 0.000 0.207 149 L C 2.434 179.391 176.870 0.145 0.000 1.086 149 L CA 0.867 55.800 54.840 0.154 0.000 0.760 149 L CB -0.689 41.490 42.059 0.200 0.000 0.910 149 L HN 0.239 nan 8.230 nan 0.000 0.437 150 L N -0.689 120.575 121.223 0.068 0.000 2.141 150 L HA -0.150 4.191 4.340 0.002 0.000 0.209 150 L C 2.707 179.636 176.870 0.098 0.000 1.094 150 L CA 1.446 56.279 54.840 -0.011 0.000 0.763 150 L CB -0.365 41.683 42.059 -0.019 0.000 0.908 150 L HN 0.183 nan 8.230 nan 0.000 0.437 151 S N -1.827 113.992 115.700 0.199 0.000 2.343 151 S HA -0.244 4.228 4.470 0.002 0.000 0.219 151 S C 2.122 176.848 174.600 0.209 0.000 1.033 151 S CA 2.019 60.385 58.200 0.277 0.000 1.014 151 S CB -0.517 62.789 63.200 0.177 0.000 0.915 151 S HN 0.607 nan 8.310 nan 0.000 0.435 152 T N 0.333 114.937 114.554 0.083 0.000 2.915 152 T HA -0.066 4.286 4.350 0.002 0.000 0.269 152 T C 1.421 176.104 174.700 -0.028 0.000 1.071 152 T CA 1.376 63.464 62.100 -0.021 0.000 1.132 152 T CB -0.579 68.189 68.868 -0.167 0.000 0.878 152 T HN 0.497 nan 8.240 nan 0.000 0.479 153 F N -0.109 119.769 119.950 -0.121 0.000 2.134 153 F HA 0.019 4.548 4.527 0.002 0.000 0.299 153 F C 1.716 177.491 175.800 -0.042 0.000 1.097 153 F CA 1.197 59.146 58.000 -0.085 0.000 1.264 153 F CB -0.531 38.412 39.000 -0.095 0.000 1.001 153 F HN 0.288 nan 8.300 nan 0.000 0.479 154 W N -0.278 121.043 121.300 0.035 0.000 2.335 154 W HA -0.263 4.399 4.660 0.002 0.000 0.311 154 W C 2.764 179.211 176.519 -0.119 0.000 1.213 154 W CA 1.225 58.535 57.345 -0.057 0.000 1.274 154 W CB -1.153 28.350 29.460 0.073 0.000 1.148 154 W HN 0.039 nan 8.180 nan 0.000 0.498 155 C N -0.244 119.152 119.300 0.159 0.000 2.413 155 C HA -0.200 4.261 4.460 0.002 0.000 0.276 155 C C 2.976 177.953 174.990 -0.021 0.000 1.236 155 C CA 1.533 60.585 59.018 0.057 0.000 1.735 155 C CB -1.592 26.171 27.740 0.038 0.000 2.031 155 C HN 0.445 nan 8.230 nan 0.000 0.474 156 A N -0.706 122.059 122.820 -0.091 0.000 1.877 156 A HA -0.128 4.194 4.320 0.002 0.000 0.216 156 A C 2.325 179.807 177.584 -0.169 0.000 1.186 156 A CA 2.018 53.983 52.037 -0.121 0.000 0.620 156 A CB -0.864 18.064 19.000 -0.121 0.000 0.822 156 A HN 0.384 nan 8.150 nan 0.000 0.443 157 V N -1.065 118.643 119.914 -0.343 0.000 2.871 157 V HA 0.011 4.133 4.120 0.002 0.000 0.256 157 V C 2.015 178.048 176.094 -0.103 0.000 1.082 157 V CA 1.525 63.631 62.300 -0.323 0.000 1.105 157 V CB -0.084 31.311 31.823 -0.713 0.000 0.713 157 V HN 0.525 nan 8.190 nan 0.000 0.473 158 L N -1.224 119.983 121.223 -0.026 0.000 2.546 158 L HA 0.364 4.705 4.340 0.002 0.000 0.182 158 L C 0.715 177.606 176.870 0.034 0.000 1.167 158 L CA 0.871 55.740 54.840 0.048 0.000 0.845 158 L CB 0.394 42.528 42.059 0.125 0.000 1.134 158 L HN 0.206 nan 8.230 nan 0.000 0.500 159 S N -1.417 114.300 115.700 0.029 0.000 2.706 159 S HA 0.152 4.623 4.470 0.002 0.000 0.270 159 S C 0.527 175.130 174.600 0.004 0.000 1.163 159 S CA -0.164 58.044 58.200 0.014 0.000 1.042 159 S CB 1.056 64.265 63.200 0.015 0.000 1.079 159 S HN 0.403 nan 8.310 nan 0.000 0.474 160 T N 1.305 115.859 114.554 0.001 0.000 3.051 160 T HA 0.004 4.356 4.350 0.002 0.000 0.269 160 T C 0.993 175.697 174.700 0.007 0.000 1.127 160 T CA 0.956 63.057 62.100 0.002 0.000 1.107 160 T CB -0.379 68.490 68.868 0.002 0.000 0.898 160 T HN 0.752 nan 8.240 nan 0.000 0.517 161 E N 1.265 121.469 120.200 0.007 0.000 2.472 161 E HA 0.119 4.471 4.350 0.002 0.000 0.200 161 E C 1.999 178.604 176.600 0.009 0.000 1.046 161 E CA 0.622 57.033 56.400 0.019 0.000 0.871 161 E CB -0.171 29.545 29.700 0.026 0.000 0.806 161 E HN 0.746 nan 8.360 nan 0.000 0.533 162 A N 1.225 124.023 122.820 -0.036 0.000 2.275 162 A HA 0.021 4.343 4.320 0.002 0.000 0.212 162 A C 0.507 178.061 177.584 -0.050 0.000 1.201 162 A CA -0.114 51.856 52.037 -0.112 0.000 0.843 162 A CB 0.059 18.988 19.000 -0.118 0.000 0.873 162 A HN 0.083 nan 8.150 nan 0.000 0.492 163 E N -0.299 119.900 120.200 -0.002 0.000 2.366 163 E HA 0.442 4.793 4.350 0.002 0.000 0.266 163 E C 0.876 177.495 176.600 0.032 0.000 1.051 163 E CA 0.518 56.930 56.400 0.020 0.000 0.884 163 E CB 0.616 30.333 29.700 0.028 0.000 1.006 163 E HN 0.596 nan 8.360 nan 0.000 0.417 164 G N 1.240 110.064 108.800 0.039 0.000 2.632 164 G HA2 -0.315 3.646 3.960 0.002 0.000 0.224 164 G HA3 -0.315 3.646 3.960 0.002 0.000 0.224 164 G C 0.703 175.646 174.900 0.072 0.000 1.341 164 G CA -0.101 45.025 45.100 0.044 0.000 0.880 164 G HN 0.505 nan 8.290 nan 0.000 0.566 165 S N -0.960 114.795 115.700 0.091 0.000 2.361 165 S HA 0.256 4.727 4.470 0.002 0.000 0.214 165 S C 2.405 177.105 174.600 0.168 0.000 1.034 165 S CA 3.544 61.830 58.200 0.142 0.000 1.025 165 S CB -0.741 62.570 63.200 0.185 0.000 0.996 165 S HN 2.790 nan 8.310 nan 0.000 0.422 166 G N 0.021 108.935 108.800 0.189 0.000 2.612 166 G HA2 -0.198 3.763 3.960 0.002 0.000 0.200 166 G HA3 -0.198 3.763 3.960 0.002 0.000 0.200 166 G C 0.879 175.838 174.900 0.098 0.000 1.053 166 G CA 0.363 45.634 45.100 0.284 0.000 0.707 166 G HN 0.515 nan 8.290 nan 0.000 0.497 167 L N 1.880 123.159 121.223 0.094 0.000 1.989 167 L HA 0.030 4.371 4.340 0.002 0.000 0.211 167 L C 0.301 177.160 176.870 -0.018 0.000 1.071 167 L CA 3.174 58.011 54.840 -0.004 0.000 0.749 167 L CB -0.729 41.294 42.059 -0.061 0.000 0.890 167 L HN 0.285 nan 8.230 nan 0.000 0.431 168 P HA -0.252 nan 4.420 nan 0.000 0.215 168 P C 1.274 178.563 177.300 -0.018 0.000 1.163 168 P CA 1.621 64.729 63.100 0.012 0.000 0.894 168 P CB -0.146 31.579 31.700 0.041 0.000 0.791 169 Q N -2.131 117.672 119.800 0.005 0.000 2.291 169 Q HA -0.146 4.195 4.340 0.002 0.000 0.206 169 Q C 1.939 177.908 176.000 -0.052 0.000 0.976 169 Q CA 1.217 57.014 55.803 -0.010 0.000 0.875 169 Q CB -0.379 28.379 28.738 0.033 0.000 0.927 169 Q HN 0.252 nan 8.270 nan 0.000 0.450 170 M N 0.042 119.596 119.600 -0.077 0.000 2.412 170 M HA -0.006 4.475 4.480 0.002 0.000 0.263 170 M C 1.828 178.127 176.300 -0.002 0.000 1.122 170 M CA 1.233 56.484 55.300 -0.082 0.000 1.179 170 M CB -0.037 32.485 32.600 -0.130 0.000 1.335 170 M HN -0.147 nan 8.290 nan 0.000 0.465 171 K N -0.930 119.468 120.400 -0.003 0.000 2.173 171 K HA -0.215 4.106 4.320 0.002 0.000 0.207 171 K C 2.156 178.882 176.600 0.209 0.000 1.046 171 K CA 1.739 58.066 56.287 0.067 0.000 0.929 171 K CB -0.241 32.240 32.500 -0.031 0.000 0.720 171 K HN 0.346 nan 8.250 nan 0.000 0.453 172 S N 0.532 116.329 115.700 0.161 0.000 2.348 172 S HA -0.117 4.354 4.470 0.002 0.000 0.221 172 S C 1.870 176.626 174.600 0.261 0.000 1.033 172 S CA 1.331 59.669 58.200 0.230 0.000 1.010 172 S CB -0.190 63.062 63.200 0.086 0.000 0.891 172 S HN 0.314 nan 8.310 nan 0.000 0.442 173 I N 0.890 121.560 120.570 0.167 0.000 2.179 173 I HA -0.154 4.018 4.170 0.002 0.000 0.242 173 I C 1.930 178.144 176.117 0.163 0.000 1.088 173 I CA 0.997 62.410 61.300 0.187 0.000 1.357 173 I CB -0.312 37.778 38.000 0.150 0.000 1.051 173 I HN 0.262 nan 8.210 nan 0.000 0.409 174 L N -0.156 121.129 121.223 0.104 0.000 2.551 174 L HA -0.051 4.290 4.340 0.002 0.000 0.228 174 L C 2.342 179.214 176.870 0.003 0.000 1.153 174 L CA 0.970 55.832 54.840 0.037 0.000 0.851 174 L CB -0.431 41.636 42.059 0.013 0.000 0.959 174 L HN 0.096 nan 8.230 nan 0.000 0.451 175 S N -0.681 115.070 115.700 0.085 0.000 2.527 175 S HA 0.177 4.649 4.470 0.002 0.000 0.222 175 S C 1.376 175.939 174.600 -0.062 0.000 0.985 175 S CA 0.698 58.922 58.200 0.039 0.000 0.921 175 S CB -0.034 63.285 63.200 0.200 0.000 0.772 175 S HN 0.578 nan 8.310 nan 0.000 0.529 176 G N 0.138 108.908 108.800 -0.050 0.000 2.145 176 G HA2 -0.144 3.817 3.960 0.002 0.000 0.145 176 G HA3 -0.144 3.817 3.960 0.002 0.000 0.145 176 G C 0.081 174.784 174.900 -0.328 0.000 1.017 176 G CA -0.227 44.757 45.100 -0.193 0.000 0.682 176 G HN 0.473 nan 8.290 nan 0.000 0.504 177 F N 0.167 120.150 119.950 0.055 0.000 2.791 177 F HA 0.343 4.871 4.527 0.002 0.000 0.308 177 F C 1.716 177.549 175.800 0.054 0.000 1.138 177 F CA -0.630 57.393 58.000 0.039 0.000 1.294 177 F CB 0.143 39.155 39.000 0.019 0.000 0.975 177 F HN 0.227 nan 8.300 nan 0.000 0.512 178 Y N 1.875 122.230 120.300 0.093 0.000 2.207 178 Y HA -0.322 4.230 4.550 0.002 0.000 0.287 178 Y C 1.892 177.829 175.900 0.062 0.000 1.156 178 Y CA 2.382 60.520 58.100 0.064 0.000 1.182 178 Y CB -0.403 38.074 38.460 0.029 0.000 0.979 178 Y HN 0.368 nan 8.280 nan 0.000 0.521 179 D N -0.853 119.512 120.400 -0.058 0.000 2.178 179 D HA -0.170 4.471 4.640 0.002 0.000 0.201 179 D C 1.779 178.019 176.300 -0.100 0.000 0.980 179 D CA 1.363 55.288 54.000 -0.124 0.000 0.842 179 D CB -0.220 40.584 40.800 0.007 0.000 0.948 179 D HN 0.144 nan 8.370 nan 0.000 0.472 180 K N -0.823 119.582 120.400 0.008 0.000 2.186 180 K HA 0.210 4.532 4.320 0.002 0.000 0.202 180 K C 1.402 177.980 176.600 -0.037 0.000 1.052 180 K CA 0.645 56.946 56.287 0.024 0.000 0.965 180 K CB 0.233 32.810 32.500 0.130 0.000 0.746 180 K HN 0.135 nan 8.250 nan 0.000 0.457 181 M N -0.225 119.346 119.600 -0.049 0.000 2.333 181 M HA 0.185 4.666 4.480 0.002 0.000 0.257 181 M C 1.191 177.414 176.300 -0.128 0.000 1.078 181 M CA 0.225 55.488 55.300 -0.061 0.000 1.005 181 M CB 0.124 32.719 32.600 -0.008 0.000 1.444 181 M HN 0.054 nan 8.290 nan 0.000 0.496 182 R N 0.838 121.182 120.500 -0.261 0.000 2.276 182 R HA -0.135 4.207 4.340 0.002 0.000 0.243 182 R C 1.412 177.588 176.300 -0.207 0.000 1.161 182 R CA 1.727 57.605 56.100 -0.370 0.000 1.007 182 R CB 0.052 30.041 30.300 -0.518 0.000 0.867 182 R HN 0.332 nan 8.270 nan 0.000 0.472 183 S N -0.115 115.509 115.700 -0.127 0.000 2.428 183 S HA -0.031 4.441 4.470 0.002 0.000 0.230 183 S C 1.915 176.487 174.600 -0.046 0.000 1.014 183 S CA 0.796 58.953 58.200 -0.072 0.000 0.957 183 S CB 0.122 63.295 63.200 -0.045 0.000 0.784 183 S HN 0.468 nan 8.310 nan 0.000 0.499 184 A N 1.109 123.909 122.820 -0.034 0.000 2.119 184 A HA 0.304 4.625 4.320 0.002 0.000 0.216 184 A C 1.787 179.418 177.584 0.078 0.000 1.152 184 A CA 0.524 52.590 52.037 0.049 0.000 0.708 184 A CB -0.478 18.566 19.000 0.073 0.000 0.805 184 A HN 0.486 nan 8.150 nan 0.000 0.460 185 L N -0.214 120.966 121.223 -0.072 0.000 2.607 185 L HA 0.131 4.472 4.340 0.002 0.000 0.228 185 L C 0.266 177.040 176.870 -0.161 0.000 1.123 185 L CA -0.264 54.485 54.840 -0.152 0.000 0.890 185 L CB -0.121 41.714 42.059 -0.374 0.000 1.103 185 L HN 0.333 nan 8.230 nan 0.000 0.468 186 E N 0.711 120.857 120.200 -0.090 0.000 2.437 186 E HA -0.093 4.258 4.350 0.002 0.000 0.263 186 E C 0.995 177.580 176.600 -0.025 0.000 1.030 186 E CA -0.121 56.260 56.400 -0.031 0.000 0.934 186 E CB 1.105 30.801 29.700 -0.006 0.000 0.943 186 E HN 0.206 nan 8.360 nan 0.000 0.444 187 L N 3.738 124.959 121.223 -0.003 0.000 2.079 187 L HA -0.232 4.109 4.340 0.002 0.000 0.210 187 L C 2.685 179.521 176.870 -0.056 0.000 1.081 187 L CA 1.523 56.328 54.840 -0.058 0.000 0.752 187 L CB -0.197 41.864 42.059 0.004 0.000 0.896 187 L HN 0.572 nan 8.230 nan 0.000 0.433 188 R N -0.705 119.839 120.500 0.074 0.000 2.193 188 R HA -0.122 4.220 4.340 0.002 0.000 0.229 188 R C 1.588 177.947 176.300 0.098 0.000 1.110 188 R CA 1.737 57.941 56.100 0.174 0.000 0.988 188 R CB -0.716 29.663 30.300 0.131 0.000 0.871 188 R HN 0.322 nan 8.270 nan 0.000 0.458 189 V N 1.489 121.400 119.914 -0.005 0.000 2.719 189 V HA -0.140 3.982 4.120 0.002 0.000 0.252 189 V C 2.353 178.363 176.094 -0.139 0.000 1.065 189 V CA 1.035 63.302 62.300 -0.054 0.000 1.086 189 V CB -0.471 31.322 31.823 -0.051 0.000 0.700 189 V HN 0.273 nan 8.190 nan 0.000 0.467 190 L N -0.165 120.923 121.223 -0.225 0.000 2.079 190 L HA -0.152 4.189 4.340 0.002 0.000 0.210 190 L C 2.195 178.885 176.870 -0.299 0.000 1.081 190 L CA 2.161 56.784 54.840 -0.361 0.000 0.752 190 L CB -0.450 41.254 42.059 -0.593 0.000 0.896 190 L HN 0.235 nan 8.230 nan 0.000 0.433 191 F N -0.532 119.387 119.950 -0.051 0.000 2.187 191 F HA -0.031 4.497 4.527 0.002 0.000 0.295 191 F C 2.520 178.249 175.800 -0.117 0.000 1.091 191 F CA 0.772 58.728 58.000 -0.073 0.000 1.308 191 F CB -0.643 38.313 39.000 -0.074 0.000 1.030 191 F HN 0.153 nan 8.300 nan 0.000 0.487 192 A N -0.425 122.455 122.820 0.100 0.000 2.067 192 A HA -0.114 4.208 4.320 0.002 0.000 0.219 192 A C 2.220 179.810 177.584 0.010 0.000 1.158 192 A CA 1.127 53.205 52.037 0.068 0.000 0.661 192 A CB -0.343 18.700 19.000 0.071 0.000 0.801 192 A HN 0.105 nan 8.150 nan 0.000 0.452 193 K N -0.359 120.005 120.400 -0.059 0.000 2.021 193 K HA 0.066 4.387 4.320 0.002 0.000 0.205 193 K C 2.237 178.831 176.600 -0.011 0.000 1.047 193 K CA 1.275 57.512 56.287 -0.083 0.000 0.943 193 K CB -0.429 31.948 32.500 -0.204 0.000 0.725 193 K HN 0.394 nan 8.250 nan 0.000 0.439 194 A N 0.867 123.697 122.820 0.017 0.000 2.016 194 A HA 0.003 4.324 4.320 0.002 0.000 0.217 194 A C 2.198 179.776 177.584 -0.010 0.000 1.162 194 A CA 0.761 52.844 52.037 0.077 0.000 0.662 194 A CB -0.306 18.848 19.000 0.256 0.000 0.812 194 A HN 0.155 nan 8.150 nan 0.000 0.450 195 L N -0.934 120.216 121.223 -0.122 0.000 2.095 195 L HA -0.012 4.330 4.340 0.002 0.000 0.204 195 L C 2.797 179.586 176.870 -0.135 0.000 1.080 195 L CA 0.937 55.559 54.840 -0.363 0.000 0.759 195 L CB -0.595 40.837 42.059 -1.045 0.000 0.914 195 L HN 0.456 nan 8.230 nan 0.000 0.439 196 G N 0.082 108.893 108.800 0.018 0.000 2.418 196 G HA2 -0.272 3.690 3.960 0.002 0.000 0.217 196 G HA3 -0.272 3.690 3.960 0.002 0.000 0.217 196 G C 1.556 176.535 174.900 0.133 0.000 1.158 196 G CA 0.713 45.913 45.100 0.167 0.000 0.771 196 G HN 0.178 nan 8.290 nan 0.000 0.545 197 L N 0.640 121.920 121.223 0.094 0.000 2.005 197 L HA 0.139 4.481 4.340 0.002 0.000 0.207 197 L C 2.730 179.667 176.870 0.111 0.000 1.072 197 L CA 1.281 56.190 54.840 0.114 0.000 0.744 197 L CB -0.481 41.658 42.059 0.134 0.000 0.895 197 L HN 0.241 nan 8.230 nan 0.000 0.433 198 I N -1.244 119.380 120.570 0.089 0.000 2.151 198 I HA -0.430 3.742 4.170 0.002 0.000 0.243 198 I C 2.455 178.621 176.117 0.082 0.000 1.080 198 I CA 1.638 62.981 61.300 0.073 0.000 1.339 198 I CB -0.417 37.603 38.000 0.033 0.000 1.039 198 I HN 0.391 nan 8.210 nan 0.000 0.409 199 C N 0.136 119.510 119.300 0.123 0.000 2.467 199 C HA 0.036 4.497 4.460 0.002 0.000 0.279 199 C C 3.081 178.137 174.990 0.110 0.000 1.347 199 C CA 0.583 59.691 59.018 0.150 0.000 1.748 199 C CB -1.111 26.796 27.740 0.279 0.000 1.977 199 C HN 0.589 nan 8.230 nan 0.000 0.501 200 A N 0.879 123.764 122.820 0.109 0.000 1.855 200 A HA -0.070 4.252 4.320 0.002 0.000 0.215 200 A C 1.944 179.559 177.584 0.052 0.000 1.191 200 A CA 1.478 53.565 52.037 0.083 0.000 0.613 200 A CB -0.552 18.503 19.000 0.091 0.000 0.829 200 A HN 0.550 nan 8.150 nan 0.000 0.442 201 I N -0.146 120.452 120.570 0.047 0.000 2.315 201 I HA -0.145 4.026 4.170 0.002 0.000 0.248 201 I C 2.651 178.762 176.117 -0.011 0.000 1.117 201 I CA 0.920 62.226 61.300 0.010 0.000 1.404 201 I CB -0.624 37.372 38.000 -0.007 0.000 1.071 201 I HN 0.388 nan 8.210 nan 0.000 0.419 202 G N 0.818 109.619 108.800 0.002 0.000 2.446 202 G HA2 -0.206 3.755 3.960 0.002 0.000 0.217 202 G HA3 -0.206 3.755 3.960 0.002 0.000 0.217 202 G C 1.696 176.569 174.900 -0.045 0.000 1.168 202 G CA 0.791 45.879 45.100 -0.020 0.000 0.771 202 G HN 0.498 nan 8.290 nan 0.000 0.551 203 G N -0.240 108.547 108.800 -0.021 0.000 2.708 203 G HA2 0.341 4.303 3.960 0.002 0.000 0.210 203 G HA3 0.341 4.303 3.960 0.002 0.000 0.210 203 G C 1.197 176.070 174.900 -0.045 0.000 1.141 203 G CA 0.607 45.682 45.100 -0.041 0.000 0.788 203 G HN 1.547 nan 8.290 nan 0.000 0.531 204 G N -0.747 108.036 108.800 -0.028 0.000 2.165 204 G HA2 -0.234 3.727 3.960 0.002 0.000 0.226 204 G HA3 -0.234 3.727 3.960 0.002 0.000 0.226 204 G C 0.206 175.113 174.900 0.010 0.000 1.035 204 G CA -0.079 45.017 45.100 -0.005 0.000 0.744 204 G HN 0.461 nan 8.290 nan 0.000 0.501 205 L N 1.234 122.465 121.223 0.014 0.000 2.380 205 L HA 0.336 4.678 4.340 0.002 0.000 0.273 205 L C -1.048 175.835 176.870 0.021 0.000 1.138 205 L CA -1.804 53.051 54.840 0.025 0.000 0.832 205 L CB 0.981 43.063 42.059 0.038 0.000 1.124 205 L HN -0.015 nan 8.230 nan 0.000 0.454 206 P HA 0.073 nan 4.420 nan 0.000 0.235 206 P C -0.851 176.475 177.300 0.043 0.000 1.765 206 P CA 0.186 63.299 63.100 0.022 0.000 1.034 206 P CB -0.021 31.692 31.700 0.022 0.000 1.984 207 V N 1.239 121.178 119.914 0.041 0.000 2.638 207 V HA 0.570 4.691 4.120 0.002 0.000 0.306 207 V C 0.910 177.048 176.094 0.072 0.000 1.052 207 V CA -0.571 61.771 62.300 0.070 0.000 0.885 207 V CB 2.211 34.078 31.823 0.074 0.000 0.999 207 V HN 0.393 nan 8.190 nan 0.000 0.424 208 G N 2.683 111.556 108.800 0.121 0.000 2.508 208 G HA2 0.372 4.333 3.960 0.002 0.000 0.278 208 G HA3 0.372 4.333 3.960 0.002 0.000 0.278 208 G C 0.070 175.129 174.900 0.266 0.000 1.389 208 G CA 0.381 45.577 45.100 0.161 0.000 1.050 208 G HN 1.020 nan 8.290 nan 0.000 0.522 209 W N -0.910 120.430 121.300 0.067 0.000 2.079 209 W HA 0.216 4.877 4.660 0.002 0.000 0.285 209 W C 1.259 177.774 176.519 -0.008 0.000 0.891 209 W CA 0.497 57.858 57.345 0.027 0.000 1.308 209 W CB -0.563 28.898 29.460 0.003 0.000 1.047 209 W HN 0.652 nan 8.180 nan 0.000 0.522 210 E N 1.522 121.924 120.200 0.337 0.000 2.049 210 E HA -0.111 4.240 4.350 0.002 0.000 0.198 210 E C 2.296 178.903 176.600 0.013 0.000 1.007 210 E CA 2.579 58.995 56.400 0.027 0.000 0.809 210 E CB -1.194 28.624 29.700 0.198 0.000 0.749 210 E HN 0.109 nan 8.360 nan 0.000 0.450 211 G N 1.490 110.391 108.800 0.169 0.000 2.524 211 G HA2 -0.169 3.792 3.960 0.002 0.000 0.215 211 G HA3 -0.169 3.792 3.960 0.002 0.000 0.215 211 G C -0.587 174.372 174.900 0.099 0.000 1.239 211 G CA 1.148 46.346 45.100 0.165 0.000 0.798 211 G HN 0.328 nan 8.290 nan 0.000 0.557 212 P HA -0.170 nan 4.420 nan 0.000 0.217 212 P C 1.759 179.066 177.300 0.011 0.000 1.151 212 P CA 1.262 64.406 63.100 0.074 0.000 0.849 212 P CB -0.090 31.664 31.700 0.091 0.000 0.787 213 N N -0.565 118.084 118.700 -0.084 0.000 2.084 213 N HA -0.129 4.612 4.740 0.002 0.000 0.190 213 N C 1.794 177.202 175.510 -0.171 0.000 1.030 213 N CA 1.161 54.076 53.050 -0.224 0.000 0.849 213 N CB -0.726 37.452 38.487 -0.516 0.000 1.012 213 N HN -0.057 nan 8.380 nan 0.000 0.423 214 V N 1.822 121.653 119.914 -0.138 0.000 2.332 214 V HA -0.232 3.889 4.120 0.002 0.000 0.248 214 V C 2.420 178.479 176.094 -0.057 0.000 1.055 214 V CA 1.965 64.198 62.300 -0.112 0.000 1.038 214 V CB -0.828 30.939 31.823 -0.093 0.000 0.651 214 V HN 0.434 nan 8.190 nan 0.000 0.450 215 H N -0.006 119.008 119.070 -0.094 0.000 2.352 215 H HA -0.123 4.434 4.556 0.002 0.000 0.299 215 H C 2.197 177.450 175.328 -0.124 0.000 1.097 215 H CA 2.598 58.596 56.048 -0.082 0.000 1.311 215 H CB -0.179 29.551 29.762 -0.053 0.000 1.377 215 H HN 0.536 nan 8.280 nan 0.000 0.504 216 I N 0.265 120.852 120.570 0.029 0.000 2.142 216 I HA -0.270 3.901 4.170 0.002 0.000 0.240 216 I C 2.904 178.908 176.117 -0.187 0.000 1.078 216 I CA 1.163 62.383 61.300 -0.135 0.000 1.343 216 I CB -0.467 37.423 38.000 -0.184 0.000 1.046 216 I HN 0.219 nan 8.210 nan 0.000 0.405 217 A N -0.232 122.487 122.820 -0.168 0.000 1.986 217 A HA -0.261 4.061 4.320 0.002 0.000 0.220 217 A C 2.408 179.901 177.584 -0.152 0.000 1.171 217 A CA 2.025 53.953 52.037 -0.182 0.000 0.640 217 A CB -1.260 17.635 19.000 -0.176 0.000 0.811 217 A HN 0.584 nan 8.150 nan 0.000 0.451 218 C N -0.960 118.276 119.300 -0.107 0.000 2.457 218 C HA 0.022 4.484 4.460 0.002 0.000 0.278 218 C C 2.535 177.512 174.990 -0.021 0.000 1.309 218 C CA 0.767 59.745 59.018 -0.067 0.000 1.735 218 C CB -1.206 26.484 27.740 -0.083 0.000 1.992 218 C HN 0.636 nan 8.230 nan 0.000 0.493 219 I N 0.489 121.035 120.570 -0.040 0.000 2.286 219 I HA -0.160 4.011 4.170 0.002 0.000 0.245 219 I C 2.312 178.397 176.117 -0.053 0.000 1.104 219 I CA 1.540 62.822 61.300 -0.029 0.000 1.397 219 I CB -0.354 37.598 38.000 -0.080 0.000 1.072 219 I HN 0.288 nan 8.210 nan 0.000 0.417 220 I N 0.945 121.427 120.570 -0.147 0.000 2.179 220 I HA -0.303 3.868 4.170 0.002 0.000 0.242 220 I C 2.777 178.909 176.117 0.025 0.000 1.088 220 I CA 1.490 62.723 61.300 -0.111 0.000 1.357 220 I CB -0.362 37.528 38.000 -0.182 0.000 1.051 220 I HN 0.180 nan 8.210 nan 0.000 0.409 221 A N -0.476 122.284 122.820 -0.099 0.000 1.972 221 A HA -0.298 4.023 4.320 0.002 0.000 0.219 221 A C 2.102 179.479 177.584 -0.345 0.000 1.169 221 A CA 1.910 53.809 52.037 -0.229 0.000 0.635 221 A CB -0.948 17.899 19.000 -0.256 0.000 0.810 221 A HN 0.539 nan 8.150 nan 0.000 0.446 222 H N -1.598 117.362 119.070 -0.183 0.000 2.470 222 H HA 0.007 4.565 4.556 0.002 0.000 0.289 222 H C 2.159 177.553 175.328 0.110 0.000 1.033 222 H CA 1.646 57.715 56.048 0.035 0.000 1.331 222 H CB 0.116 29.974 29.762 0.160 0.000 1.414 222 H HN 0.428 nan 8.280 nan 0.000 0.545 223 Q N -0.461 119.401 119.800 0.103 0.000 2.062 223 Q HA -0.033 4.308 4.340 0.002 0.000 0.196 223 Q C 1.712 177.724 176.000 0.021 0.000 0.967 223 Q CA 1.450 57.272 55.803 0.032 0.000 0.832 223 Q CB -0.401 28.292 28.738 -0.076 0.000 0.899 223 Q HN 0.465 nan 8.270 nan 0.000 0.442 224 F N -0.825 119.123 119.950 -0.004 0.000 2.184 224 F HA -0.288 4.240 4.527 0.003 0.000 0.301 224 F C 1.711 177.701 175.800 0.317 0.000 1.076 224 F CA 1.357 59.445 58.000 0.147 0.000 1.295 224 F CB -0.437 38.578 39.000 0.025 0.000 1.026 224 F HN 0.239 nan 8.300 nan 0.000 0.494 225 Y N -0.402 120.087 120.300 0.314 0.000 2.384 225 Y HA -0.225 4.326 4.550 0.002 0.000 0.289 225 Y C 2.270 178.200 175.900 0.049 0.000 1.152 225 Y CA 0.353 58.507 58.100 0.091 0.000 1.258 225 Y CB -0.270 38.093 38.460 -0.161 0.000 0.979 225 Y HN -0.013 nan 8.280 nan 0.000 0.549 226 R N 0.247 120.866 120.500 0.197 0.000 2.193 226 R HA 0.006 4.347 4.340 0.002 0.000 0.213 226 R C 0.390 176.744 176.300 0.089 0.000 1.055 226 R CA 0.302 56.462 56.100 0.101 0.000 0.995 226 R CB -0.177 30.158 30.300 0.058 0.000 0.893 226 R HN 0.254 nan 8.270 nan 0.000 0.459 227 L N 0.016 121.322 121.223 0.139 0.000 2.439 227 L HA 0.119 4.461 4.340 0.002 0.000 0.269 227 L C 1.879 178.761 176.870 0.021 0.000 1.179 227 L CA -0.156 54.723 54.840 0.065 0.000 0.828 227 L CB 0.499 42.599 42.059 0.069 0.000 1.106 227 L HN 0.142 nan 8.230 nan 0.000 0.467 228 G N 1.825 110.599 108.800 -0.044 0.000 2.469 228 G HA2 -0.211 3.750 3.960 0.002 0.000 0.219 228 G HA3 -0.211 3.750 3.960 0.002 0.000 0.219 228 G C 1.347 176.191 174.900 -0.095 0.000 1.150 228 G CA 1.139 46.205 45.100 -0.057 0.000 0.763 228 G HN 0.616 nan 8.290 nan 0.000 0.561 229 V N -2.492 117.290 119.914 -0.219 0.000 2.759 229 V HA 0.102 4.224 4.120 0.002 0.000 0.256 229 V C 2.214 178.194 176.094 -0.190 0.000 1.080 229 V CA 1.365 63.481 62.300 -0.308 0.000 1.101 229 V CB -0.817 30.669 31.823 -0.562 0.000 0.698 229 V HN 0.382 nan 8.190 nan 0.000 0.477 230 F N -0.468 119.502 119.950 0.034 0.000 2.720 230 F HA 0.312 4.840 4.527 0.002 0.000 0.301 230 F C 2.234 178.008 175.800 -0.043 0.000 1.103 230 F CA -0.010 57.993 58.000 0.005 0.000 1.291 230 F CB 0.239 39.345 39.000 0.177 0.000 1.086 230 F HN 0.051 nan 8.300 nan 0.000 0.592 231 K N 1.667 122.132 120.400 0.108 0.000 2.063 231 K HA -0.234 4.087 4.320 0.002 0.000 0.208 231 K C 1.866 178.400 176.600 -0.110 0.000 1.048 231 K CA 1.600 57.888 56.287 0.002 0.000 0.928 231 K CB -0.371 32.123 32.500 -0.010 0.000 0.713 231 K HN 0.196 nan 8.250 nan 0.000 0.442 232 E N 0.131 120.275 120.200 -0.093 0.000 2.219 232 E HA -0.209 4.142 4.350 0.002 0.000 0.198 232 E C 1.785 178.257 176.600 -0.213 0.000 0.998 232 E CA 1.172 57.491 56.400 -0.134 0.000 0.818 232 E CB -0.114 29.523 29.700 -0.105 0.000 0.741 232 E HN 0.364 nan 8.360 nan 0.000 0.477 233 L N -0.152 120.922 121.223 -0.248 0.000 2.265 233 L HA -0.197 4.144 4.340 0.002 0.000 0.215 233 L C 2.679 179.210 176.870 -0.565 0.000 1.117 233 L CA 0.731 55.355 54.840 -0.359 0.000 0.782 233 L CB -0.225 41.590 42.059 -0.407 0.000 0.914 233 L HN 0.349 nan 8.230 nan 0.000 0.441 234 C N -1.052 117.797 119.300 -0.752 0.000 2.524 234 C HA -0.051 4.411 4.460 0.002 0.000 0.284 234 C C 2.897 177.585 174.990 -0.502 0.000 1.346 234 C CA 0.966 59.419 59.018 -0.943 0.000 1.739 234 C CB -0.475 26.609 27.740 -1.092 0.000 2.119 234 C HN 0.514 nan 8.230 nan 0.000 0.501 235 T N 0.395 114.750 114.554 -0.332 0.000 2.592 235 T HA -0.216 4.135 4.350 0.002 0.000 0.267 235 T C 0.681 175.272 174.700 -0.183 0.000 1.060 235 T CA 1.706 63.686 62.100 -0.200 0.000 1.167 235 T CB -0.640 68.143 68.868 -0.143 0.000 0.863 235 T HN 0.639 nan 8.240 nan 0.000 0.431 236 D N 1.092 121.381 120.400 -0.185 0.000 2.363 236 D HA 0.034 4.676 4.640 0.002 0.000 0.263 236 D C 1.201 177.404 176.300 -0.161 0.000 1.258 236 D CA 0.006 53.921 54.000 -0.141 0.000 0.907 236 D CB 0.503 41.231 40.800 -0.119 0.000 1.107 236 D HN 0.205 nan 8.370 nan 0.000 0.495 237 R N 2.822 123.246 120.500 -0.127 0.000 2.133 237 R HA -0.258 4.083 4.340 0.002 0.000 0.245 237 R C 2.077 178.309 176.300 -0.113 0.000 1.137 237 R CA 2.240 58.267 56.100 -0.121 0.000 0.947 237 R CB -0.231 30.022 30.300 -0.079 0.000 0.865 237 R HN 0.548 nan 8.270 nan 0.000 0.437 238 A N 0.482 123.254 122.820 -0.079 0.000 1.898 238 A HA -0.133 4.189 4.320 0.002 0.000 0.216 238 A C 2.038 179.577 177.584 -0.074 0.000 1.181 238 A CA 1.073 53.077 52.037 -0.056 0.000 0.620 238 A CB -0.396 18.590 19.000 -0.024 0.000 0.819 238 A HN 0.213 nan 8.150 nan 0.000 0.442 239 L N -0.511 120.656 121.223 -0.093 0.000 2.291 239 L HA 0.024 4.365 4.340 0.002 0.000 0.214 239 L C 2.402 179.174 176.870 -0.163 0.000 1.120 239 L CA 1.587 56.359 54.840 -0.114 0.000 0.799 239 L CB -0.440 41.541 42.059 -0.130 0.000 0.925 239 L HN 0.492 nan 8.230 nan 0.000 0.446 240 R N -1.170 119.208 120.500 -0.204 0.000 2.075 240 R HA -0.088 4.254 4.340 0.002 0.000 0.226 240 R C 2.127 178.347 176.300 -0.133 0.000 1.114 240 R CA 0.843 56.797 56.100 -0.244 0.000 0.972 240 R CB -0.213 29.849 30.300 -0.397 0.000 0.869 240 R HN 0.287 nan 8.270 nan 0.000 0.437 241 L N 1.514 122.663 121.223 -0.123 0.000 1.989 241 L HA -0.230 4.111 4.340 0.002 0.000 0.211 241 L C 2.059 178.895 176.870 -0.056 0.000 1.071 241 L CA 1.989 56.779 54.840 -0.084 0.000 0.749 241 L CB -0.919 41.090 42.059 -0.083 0.000 0.890 241 L HN 0.414 nan 8.230 nan 0.000 0.431 242 Q N -1.178 118.578 119.800 -0.073 0.000 2.119 242 Q HA -0.163 4.179 4.340 0.002 0.000 0.201 242 Q C 1.887 177.846 176.000 -0.069 0.000 0.972 242 Q CA 2.170 57.922 55.803 -0.084 0.000 0.847 242 Q CB -0.204 28.465 28.738 -0.115 0.000 0.903 242 Q HN 0.684 nan 8.270 nan 0.000 0.433 243 T N -0.017 114.508 114.554 -0.048 0.000 2.770 243 T HA -0.042 4.310 4.350 0.002 0.000 0.263 243 T C 1.984 176.722 174.700 0.063 0.000 1.039 243 T CA 0.458 62.568 62.100 0.017 0.000 1.142 243 T CB -0.505 68.387 68.868 0.040 0.000 0.868 243 T HN 0.106 nan 8.240 nan 0.000 0.435 244 L N 1.084 122.359 121.223 0.087 0.000 2.189 244 L HA -0.093 4.249 4.340 0.002 0.000 0.214 244 L C 3.171 180.051 176.870 0.016 0.000 1.097 244 L CA 1.195 56.076 54.840 0.069 0.000 0.764 244 L CB -0.672 41.435 42.059 0.079 0.000 0.900 244 L HN 0.424 nan 8.230 nan 0.000 0.436 245 A N -0.403 122.427 122.820 0.017 0.000 1.969 245 A HA -0.080 4.242 4.320 0.002 0.000 0.218 245 A C 2.473 180.064 177.584 0.013 0.000 1.169 245 A CA 1.431 53.490 52.037 0.037 0.000 0.635 245 A CB -0.448 18.614 19.000 0.104 0.000 0.810 245 A HN 0.406 nan 8.150 nan 0.000 0.445 246 A N -0.177 122.627 122.820 -0.027 0.000 1.968 246 A HA 0.286 4.608 4.320 0.002 0.000 0.217 246 A C 2.435 179.951 177.584 -0.114 0.000 1.169 246 A CA 1.603 53.591 52.037 -0.081 0.000 0.638 246 A CB -0.844 18.077 19.000 -0.132 0.000 0.812 246 A HN 0.925 nan 8.150 nan 0.000 0.446 247 A N -0.518 122.236 122.820 -0.109 0.000 1.865 247 A HA -0.232 4.090 4.320 0.002 0.000 0.217 247 A C 2.319 179.829 177.584 -0.123 0.000 1.191 247 A CA 1.806 53.757 52.037 -0.142 0.000 0.623 247 A CB -1.428 17.501 19.000 -0.118 0.000 0.826 247 A HN 0.589 nan 8.150 nan 0.000 0.444 248 C N -1.120 118.130 119.300 -0.085 0.000 2.398 248 C HA -0.033 4.428 4.460 0.002 0.000 0.276 248 C C 3.333 178.276 174.990 -0.079 0.000 1.222 248 C CA 0.953 59.925 59.018 -0.077 0.000 1.746 248 C CB -1.507 26.207 27.740 -0.042 0.000 2.039 248 C HN 0.714 nan 8.230 nan 0.000 0.470 249 A N -0.250 122.536 122.820 -0.056 0.000 1.851 249 A HA -0.189 4.133 4.320 0.002 0.000 0.216 249 A C 2.410 179.938 177.584 -0.095 0.000 1.195 249 A CA 2.253 54.262 52.037 -0.047 0.000 0.622 249 A CB -1.224 17.759 19.000 -0.027 0.000 0.831 249 A HN 0.430 nan 8.150 nan 0.000 0.444 250 V N 0.193 120.034 119.914 -0.122 0.000 2.407 250 V HA -0.112 4.009 4.120 0.002 0.000 0.248 250 V C 2.390 178.381 176.094 -0.172 0.000 1.055 250 V CA 2.536 64.752 62.300 -0.139 0.000 1.049 250 V CB -1.077 30.648 31.823 -0.163 0.000 0.662 250 V HN 0.600 nan 8.190 nan 0.000 0.455 251 G N -0.181 108.505 108.800 -0.190 0.000 2.480 251 G HA2 -0.264 3.698 3.960 0.002 0.000 0.216 251 G HA3 -0.264 3.698 3.960 0.002 0.000 0.216 251 G C 1.527 176.220 174.900 -0.346 0.000 1.200 251 G CA 1.396 46.352 45.100 -0.241 0.000 0.782 251 G HN 0.515 nan 8.290 nan 0.000 0.554 252 L N 0.685 121.719 121.223 -0.316 0.000 1.988 252 L HA -0.014 4.328 4.340 0.002 0.000 0.207 252 L C 3.448 179.962 176.870 -0.593 0.000 1.071 252 L CA 1.180 55.720 54.840 -0.499 0.000 0.744 252 L CB -0.476 41.437 42.059 -0.243 0.000 0.893 252 L HN 0.297 nan 8.230 nan 0.000 0.433 253 A N -0.967 121.692 122.820 -0.268 0.000 2.032 253 A HA -0.218 4.103 4.320 0.002 0.000 0.221 253 A C 2.438 179.892 177.584 -0.217 0.000 1.165 253 A CA 2.193 54.137 52.037 -0.154 0.000 0.645 253 A CB -0.584 18.383 19.000 -0.054 0.000 0.807 253 A HN 0.433 nan 8.150 nan 0.000 0.453 254 S N -0.264 115.285 115.700 -0.253 0.000 2.414 254 S HA -0.058 4.413 4.470 0.002 0.000 0.227 254 S C 2.160 176.528 174.600 -0.386 0.000 1.022 254 S CA 1.135 59.224 58.200 -0.185 0.000 0.958 254 S CB -0.143 63.059 63.200 0.003 0.000 0.797 254 S HN 0.653 nan 8.310 nan 0.000 0.493 255 S N 1.076 116.388 115.700 -0.647 0.000 2.423 255 S HA 0.043 4.515 4.470 0.002 0.000 0.231 255 S C 0.964 175.347 174.600 -0.361 0.000 1.014 255 S CA 0.971 58.747 58.200 -0.707 0.000 0.965 255 S CB -0.217 62.319 63.200 -1.106 0.000 0.785 255 S HN 0.552 nan 8.310 nan 0.000 0.495 256 F N 0.390 120.221 119.950 -0.198 0.000 2.704 256 F HA 0.386 4.915 4.527 0.003 0.000 0.304 256 F C 1.668 177.354 175.800 -0.190 0.000 1.094 256 F CA -0.617 57.240 58.000 -0.239 0.000 1.275 256 F CB -0.873 37.890 39.000 -0.394 0.000 1.073 256 F HN 0.171 nan 8.300 nan 0.000 0.586 257 G N 1.567 110.304 108.800 -0.105 0.000 2.371 257 G HA2 0.015 3.976 3.960 0.002 0.000 0.299 257 G HA3 0.015 3.976 3.960 0.002 0.000 0.299 257 G C 0.050 174.923 174.900 -0.046 0.000 1.014 257 G CA 0.340 45.340 45.100 -0.168 0.000 1.097 257 G HN 0.856 nan 8.290 nan 0.000 0.512 258 A N -0.094 122.729 122.820 0.005 0.000 2.684 258 A HA 0.776 5.098 4.320 0.002 0.000 0.289 258 A C -1.150 176.465 177.584 0.052 0.000 1.139 258 A CA -0.417 51.646 52.037 0.043 0.000 0.793 258 A CB 1.371 20.407 19.000 0.060 0.000 1.334 258 A HN 0.053 nan 8.150 nan 0.000 0.408 259 P HA -0.152 nan 4.420 nan 0.000 0.214 259 P C 1.654 178.986 177.300 0.052 0.000 1.163 259 P CA 0.730 63.847 63.100 0.029 0.000 0.883 259 P CB 0.331 32.043 31.700 0.021 0.000 0.788 260 L N -0.321 120.947 121.223 0.075 0.000 2.005 260 L HA 0.036 4.377 4.340 0.002 0.000 0.207 260 L C 2.422 179.373 176.870 0.134 0.000 1.072 260 L CA 2.326 57.234 54.840 0.114 0.000 0.744 260 L CB -1.715 40.423 42.059 0.130 0.000 0.895 260 L HN -0.031 nan 8.230 nan 0.000 0.433 261 G N -0.908 107.962 108.800 0.116 0.000 2.556 261 G HA2 -0.338 3.624 3.960 0.002 0.000 0.220 261 G HA3 -0.338 3.624 3.960 0.002 0.000 0.220 261 G C 1.484 176.468 174.900 0.139 0.000 1.156 261 G CA 0.928 46.088 45.100 0.100 0.000 0.766 261 G HN 0.615 nan 8.290 nan 0.000 0.583 262 G N -0.032 108.863 108.800 0.158 0.000 2.484 262 G HA2 -0.162 3.800 3.960 0.002 0.000 0.215 262 G HA3 -0.162 3.800 3.960 0.002 0.000 0.215 262 G C 1.837 176.829 174.900 0.153 0.000 1.219 262 G CA 1.549 46.751 45.100 0.170 0.000 0.791 262 G HN 0.588 nan 8.290 nan 0.000 0.550 263 V N 0.710 120.695 119.914 0.118 0.000 2.332 263 V HA -0.109 4.013 4.120 0.002 0.000 0.248 263 V C 2.673 178.872 176.094 0.176 0.000 1.055 263 V CA 1.627 64.006 62.300 0.131 0.000 1.038 263 V CB -0.301 31.586 31.823 0.106 0.000 0.651 263 V HN 0.297 nan 8.190 nan 0.000 0.450 264 L N -0.833 120.510 121.223 0.200 0.000 2.046 264 L HA -0.186 4.155 4.340 0.002 0.000 0.208 264 L C 2.471 179.406 176.870 0.107 0.000 1.077 264 L CA 2.871 57.796 54.840 0.142 0.000 0.747 264 L CB -1.189 40.957 42.059 0.145 0.000 0.896 264 L HN 0.602 nan 8.230 nan 0.000 0.432 265 Y N -0.120 120.199 120.300 0.031 0.000 2.274 265 Y HA -0.283 4.268 4.550 0.002 0.000 0.290 265 Y C 3.027 178.925 175.900 -0.004 0.000 1.145 265 Y CA 1.773 59.892 58.100 0.032 0.000 1.203 265 Y CB 0.093 38.598 38.460 0.074 0.000 0.984 265 Y HN 0.147 nan 8.280 nan 0.000 0.533 266 S N 0.469 116.301 115.700 0.221 0.000 2.348 266 S HA -0.222 4.249 4.470 0.002 0.000 0.221 266 S C 2.031 176.576 174.600 -0.092 0.000 1.033 266 S CA 1.715 59.963 58.200 0.080 0.000 1.010 266 S CB -0.793 62.440 63.200 0.056 0.000 0.891 266 S HN 0.604 nan 8.310 nan 0.000 0.442 267 I N 0.329 120.775 120.570 -0.208 0.000 2.614 267 I HA 0.043 4.214 4.170 0.002 0.000 0.258 267 I C 1.833 177.771 176.117 -0.298 0.000 1.189 267 I CA 1.642 62.647 61.300 -0.492 0.000 1.462 267 I CB -0.498 36.951 38.000 -0.918 0.000 1.092 267 I HN 0.239 nan 8.210 nan 0.000 0.442 268 E N 0.517 120.594 120.200 -0.204 0.000 2.358 268 E HA -0.069 4.283 4.350 0.002 0.000 0.195 268 E C 1.446 177.947 176.600 -0.166 0.000 1.010 268 E CA 1.440 57.737 56.400 -0.172 0.000 0.856 268 E CB 0.087 29.676 29.700 -0.185 0.000 0.795 268 E HN 0.836 nan 8.360 nan 0.000 0.504 269 T N -2.197 112.244 114.554 -0.188 0.000 3.176 269 T HA 0.104 4.456 4.350 0.002 0.000 0.259 269 T C 1.842 176.456 174.700 -0.143 0.000 0.978 269 T CA -0.287 61.694 62.100 -0.198 0.000 1.050 269 T CB -0.296 68.347 68.868 -0.374 0.000 1.136 269 T HN -0.110 nan 8.240 nan 0.000 0.465 270 I N 3.064 123.559 120.570 -0.126 0.000 2.233 270 I HA 0.237 4.408 4.170 0.002 0.000 0.243 270 I C 1.763 177.871 176.117 -0.015 0.000 1.093 270 I CA 0.653 61.910 61.300 -0.071 0.000 1.380 270 I CB -0.613 37.352 38.000 -0.058 0.000 1.067 270 I HN 0.356 nan 8.210 nan 0.000 0.413 271 A N -0.164 122.637 122.820 -0.031 0.000 2.483 271 A HA 0.245 4.566 4.320 0.002 0.000 0.238 271 A C 1.357 178.930 177.584 -0.018 0.000 1.070 271 A CA 0.327 52.353 52.037 -0.018 0.000 0.770 271 A CB 0.280 19.295 19.000 0.025 0.000 1.008 271 A HN 0.252 nan 8.150 nan 0.000 0.497 272 S N 0.176 115.820 115.700 -0.092 0.000 2.438 272 S HA 0.313 4.784 4.470 0.002 0.000 0.220 272 S C 0.373 174.998 174.600 0.043 0.000 1.045 272 S CA 0.943 59.112 58.200 -0.052 0.000 0.940 272 S CB -0.237 62.879 63.200 -0.139 0.000 0.863 272 S HN 0.813 nan 8.310 nan 0.000 0.539 273 F N -0.557 119.428 119.950 0.057 0.000 2.631 273 F HA 0.805 5.334 4.527 0.002 0.000 0.350 273 F C -0.979 174.926 175.800 0.175 0.000 1.080 273 F CA -1.908 56.144 58.000 0.087 0.000 1.026 273 F CB 0.587 39.611 39.000 0.040 0.000 1.347 273 F HN 0.051 nan 8.300 nan 0.000 0.501 274 Y N 1.326 121.835 120.300 0.348 0.000 2.362 274 Y HA 0.590 5.141 4.550 0.002 0.000 0.326 274 Y C -1.782 174.249 175.900 0.217 0.000 1.083 274 Y CA -1.397 56.811 58.100 0.180 0.000 1.073 274 Y CB 1.485 39.998 38.460 0.089 0.000 1.211 274 Y HN 0.758 nan 8.280 nan 0.000 0.433 275 L N 6.512 127.620 121.223 -0.193 0.000 2.319 275 L HA 0.187 4.529 4.340 0.002 0.000 0.280 275 L C 1.307 177.959 176.870 -0.364 0.000 1.099 275 L CA 0.205 54.939 54.840 -0.177 0.000 0.828 275 L CB 1.310 43.315 42.059 -0.089 0.000 1.150 275 L HN 0.732 nan 8.230 nan 0.000 0.442 276 V N 0.788 120.628 119.914 -0.123 0.000 2.626 276 V HA -0.226 3.896 4.120 0.002 0.000 0.252 276 V C 1.868 177.993 176.094 0.053 0.000 1.067 276 V CA 1.184 63.472 62.300 -0.019 0.000 1.081 276 V CB -0.928 30.931 31.823 0.060 0.000 0.686 276 V HN 0.941 nan 8.190 nan 0.000 0.468 277 Q N 1.329 121.147 119.800 0.030 0.000 1.998 277 Q HA -0.203 4.138 4.340 0.002 0.000 0.209 277 Q C 2.565 178.604 176.000 0.064 0.000 1.002 277 Q CA 2.669 58.551 55.803 0.131 0.000 0.858 277 Q CB -0.781 28.014 28.738 0.095 0.000 0.932 277 Q HN 0.727 nan 8.270 nan 0.000 0.416 278 A N 0.546 123.279 122.820 -0.145 0.000 1.985 278 A HA -0.287 4.034 4.320 0.002 0.000 0.223 278 A C 1.888 179.430 177.584 -0.069 0.000 1.189 278 A CA 1.839 53.739 52.037 -0.229 0.000 0.658 278 A CB -1.140 17.668 19.000 -0.320 0.000 0.820 278 A HN 0.523 nan 8.150 nan 0.000 0.464 279 F N 0.587 120.525 119.950 -0.020 0.000 2.115 279 F HA -0.256 4.272 4.527 0.002 0.000 0.300 279 F C 2.327 178.209 175.800 0.138 0.000 1.092 279 F CA 1.876 59.989 58.000 0.188 0.000 1.245 279 F CB -0.470 38.698 39.000 0.280 0.000 0.995 279 F HN 0.709 nan 8.300 nan 0.000 0.481 280 W N 1.214 122.504 121.300 -0.017 0.000 2.467 280 W HA -0.093 4.568 4.660 0.002 0.000 0.275 280 W C 1.510 177.973 176.519 -0.094 0.000 1.239 280 W CA 1.058 58.335 57.345 -0.113 0.000 1.266 280 W CB -0.912 28.532 29.460 -0.026 0.000 1.112 280 W HN 0.076 nan 8.180 nan 0.000 0.576 281 K N 0.733 120.527 120.400 -1.010 0.000 2.116 281 K HA 0.017 4.338 4.320 0.002 0.000 0.203 281 K C 2.638 178.967 176.600 -0.451 0.000 1.052 281 K CA 1.427 57.094 56.287 -1.033 0.000 0.952 281 K CB -0.639 31.290 32.500 -0.951 0.000 0.729 281 K HN 0.213 nan 8.250 nan 0.000 0.446 282 G N 1.057 109.692 108.800 -0.276 0.000 2.394 282 G HA2 -0.169 3.792 3.960 0.002 0.000 0.215 282 G HA3 -0.169 3.792 3.960 0.002 0.000 0.215 282 G C 1.602 176.396 174.900 -0.177 0.000 1.165 282 G CA 0.454 45.466 45.100 -0.148 0.000 0.784 282 G HN 0.047 nan 8.290 nan 0.000 0.535 283 V N 0.924 120.676 119.914 -0.270 0.000 2.287 283 V HA -0.163 3.958 4.120 0.002 0.000 0.248 283 V C 2.688 178.705 176.094 -0.130 0.000 1.053 283 V CA 1.705 63.859 62.300 -0.243 0.000 1.027 283 V CB -0.604 30.999 31.823 -0.366 0.000 0.646 283 V HN 0.348 nan 8.190 nan 0.000 0.447 284 L N 0.606 121.771 121.223 -0.097 0.000 2.012 284 L HA -0.182 4.160 4.340 0.002 0.000 0.210 284 L C 2.628 179.439 176.870 -0.099 0.000 1.073 284 L CA 2.579 57.397 54.840 -0.037 0.000 0.748 284 L CB -0.743 41.339 42.059 0.039 0.000 0.891 284 L HN 0.380 nan 8.230 nan 0.000 0.431 285 S N -1.188 114.416 115.700 -0.161 0.000 2.481 285 S HA -0.028 4.444 4.470 0.002 0.000 0.231 285 S C 1.962 176.472 174.600 -0.151 0.000 0.996 285 S CA 0.876 58.962 58.200 -0.190 0.000 0.942 285 S CB -0.307 62.751 63.200 -0.237 0.000 0.768 285 S HN 0.602 nan 8.310 nan 0.000 0.520 286 A N 1.342 124.092 122.820 -0.116 0.000 1.878 286 A HA 0.297 4.619 4.320 0.002 0.000 0.213 286 A C 2.121 179.673 177.584 -0.052 0.000 1.192 286 A CA 0.779 52.768 52.037 -0.080 0.000 0.619 286 A CB -0.681 18.280 19.000 -0.065 0.000 0.837 286 A HN 0.534 nan 8.150 nan 0.000 0.446 287 L N 0.001 121.195 121.223 -0.050 0.000 2.131 287 L HA -0.147 4.194 4.340 0.002 0.000 0.210 287 L C 2.764 179.614 176.870 -0.034 0.000 1.092 287 L CA 1.197 56.021 54.840 -0.028 0.000 0.759 287 L CB -0.358 41.688 42.059 -0.021 0.000 0.903 287 L HN 0.313 nan 8.230 nan 0.000 0.435 288 S N 0.137 115.800 115.700 -0.061 0.000 2.359 288 S HA -0.164 4.307 4.470 0.002 0.000 0.224 288 S C 1.965 176.515 174.600 -0.082 0.000 1.035 288 S CA 1.471 59.623 58.200 -0.080 0.000 1.018 288 S CB -0.603 62.524 63.200 -0.122 0.000 0.876 288 S HN 0.622 nan 8.310 nan 0.000 0.448 289 G N 0.521 109.276 108.800 -0.076 0.000 2.572 289 G HA2 0.190 4.152 3.960 0.002 0.000 0.216 289 G HA3 0.190 4.152 3.960 0.002 0.000 0.216 289 G C 1.400 176.330 174.900 0.050 0.000 1.133 289 G CA 0.679 45.744 45.100 -0.058 0.000 0.791 289 G HN 0.548 nan 8.290 nan 0.000 0.538 290 A N 1.162 124.016 122.820 0.056 0.000 1.897 290 A HA 0.114 4.435 4.320 0.002 0.000 0.215 290 A C 2.268 179.889 177.584 0.063 0.000 1.181 290 A CA 0.953 53.047 52.037 0.095 0.000 0.620 290 A CB -0.220 18.807 19.000 0.045 0.000 0.821 290 A HN 0.242 nan 8.150 nan 0.000 0.443 291 I N 0.082 120.656 120.570 0.006 0.000 2.226 291 I HA -0.175 3.996 4.170 0.002 0.000 0.245 291 I C 2.519 178.605 176.117 -0.053 0.000 1.100 291 I CA 1.091 62.380 61.300 -0.019 0.000 1.374 291 I CB -1.376 36.604 38.000 -0.033 0.000 1.057 291 I HN 0.120 nan 8.210 nan 0.000 0.413 292 V N 0.152 120.008 119.914 -0.097 0.000 2.255 292 V HA -0.316 3.805 4.120 0.002 0.000 0.247 292 V C 2.300 178.258 176.094 -0.227 0.000 1.051 292 V CA 1.849 64.028 62.300 -0.201 0.000 1.018 292 V CB -0.897 30.757 31.823 -0.282 0.000 0.641 292 V HN 0.308 nan 8.190 nan 0.000 0.445 293 Y N -0.228 119.998 120.300 -0.123 0.000 2.639 293 Y HA -0.106 4.446 4.550 0.003 0.000 0.297 293 Y C 2.257 178.113 175.900 -0.073 0.000 1.151 293 Y CA 0.978 59.020 58.100 -0.096 0.000 1.335 293 Y CB 0.158 38.606 38.460 -0.020 0.000 0.994 293 Y HN 0.333 nan 8.280 nan 0.000 0.548 294 E N 0.291 120.526 120.200 0.059 0.000 2.368 294 E HA 0.119 4.470 4.350 0.002 0.000 0.188 294 E C -0.781 175.808 176.600 -0.018 0.000 1.061 294 E CA 0.061 56.478 56.400 0.028 0.000 0.933 294 E CB 0.092 29.803 29.700 0.017 0.000 1.091 294 E HN 0.253 nan 8.360 nan 0.000 0.458 315 V N -0.572 119.363 119.914 0.035 0.000 2.443 315 V HA 0.776 4.897 4.120 0.002 0.000 0.293 315 V C -0.583 175.514 176.094 0.006 0.000 1.021 315 V CA -0.449 61.864 62.300 0.023 0.000 0.848 315 V CB 1.472 33.314 31.823 0.032 0.000 0.998 315 V HN 0.363 nan 8.190 nan 0.000 0.424 316 S N 4.198 119.882 115.700 -0.026 0.000 2.448 316 S HA 0.583 5.054 4.470 0.002 0.000 0.320 316 S C 0.062 174.653 174.600 -0.015 0.000 1.071 316 S CA -0.568 57.584 58.200 -0.080 0.000 1.113 316 S CB 0.974 63.999 63.200 -0.291 0.000 0.972 316 S HN 0.945 nan 8.310 nan 0.000 0.465 317 R N 2.366 122.910 120.500 0.073 0.000 2.734 317 R HA 0.060 4.401 4.340 0.002 0.000 0.266 317 R C 1.013 177.393 176.300 0.133 0.000 1.044 317 R CA 0.455 56.614 56.100 0.099 0.000 1.128 317 R CB -0.180 30.187 30.300 0.113 0.000 1.010 317 R HN 0.599 nan 8.270 nan 0.000 0.461 318 T N 1.220 115.820 114.554 0.076 0.000 3.434 318 T HA -0.041 4.310 4.350 0.002 0.000 0.249 318 T C 0.464 175.218 174.700 0.090 0.000 1.050 318 T CA 0.236 62.367 62.100 0.052 0.000 0.952 318 T CB -0.632 68.221 68.868 -0.026 0.000 1.046 318 T HN 0.727 nan 8.240 nan 0.000 0.590 319 Q N 1.244 121.118 119.800 0.124 0.000 2.271 319 Q HA 0.001 4.343 4.340 0.002 0.000 0.206 319 Q C 1.457 177.494 176.000 0.062 0.000 0.860 319 Q CA 0.536 56.378 55.803 0.065 0.000 0.991 319 Q CB -0.895 27.854 28.738 0.019 0.000 1.232 319 Q HN 0.633 nan 8.270 nan 0.000 0.410 320 T N -1.583 113.060 114.554 0.148 0.000 2.803 320 T HA -0.236 4.116 4.350 0.002 0.000 0.269 320 T C 1.557 176.332 174.700 0.125 0.000 1.052 320 T CA 0.957 63.195 62.100 0.229 0.000 1.136 320 T CB -0.166 68.766 68.868 0.106 0.000 0.864 320 T HN 0.405 nan 8.240 nan 0.000 0.467 321 L N 0.236 121.490 121.223 0.051 0.000 2.043 321 L HA 0.042 4.383 4.340 0.002 0.000 0.212 321 L C 2.217 179.096 176.870 0.014 0.000 1.075 321 L CA 1.598 56.457 54.840 0.032 0.000 0.752 321 L CB -0.804 41.272 42.059 0.027 0.000 0.891 321 L HN 0.271 nan 8.230 nan 0.000 0.432 322 L N -2.058 119.138 121.223 -0.045 0.000 2.291 322 L HA -0.142 4.199 4.340 0.002 0.000 0.214 322 L C 2.047 178.936 176.870 0.031 0.000 1.120 322 L CA 1.219 56.045 54.840 -0.023 0.000 0.799 322 L CB -0.771 41.209 42.059 -0.132 0.000 0.925 322 L HN 0.244 nan 8.230 nan 0.000 0.446 323 Y N -0.893 119.436 120.300 0.049 0.000 2.263 323 Y HA -0.094 4.457 4.550 0.002 0.000 0.292 323 Y C 2.455 178.304 175.900 -0.084 0.000 1.130 323 Y CA 0.840 58.901 58.100 -0.066 0.000 1.179 323 Y CB -0.838 37.527 38.460 -0.158 0.000 0.998 323 Y HN 0.130 nan 8.280 nan 0.000 0.532 324 A N -0.022 122.858 122.820 0.101 0.000 1.969 324 A HA -0.103 4.218 4.320 0.002 0.000 0.218 324 A C 2.052 179.638 177.584 0.003 0.000 1.169 324 A CA 1.347 53.408 52.037 0.041 0.000 0.635 324 A CB -0.719 18.305 19.000 0.040 0.000 0.810 324 A HN 0.312 nan 8.150 nan 0.000 0.445 325 I N -0.231 120.339 120.570 -0.000 0.000 2.286 325 I HA -0.205 3.967 4.170 0.002 0.000 0.248 325 I C 2.409 178.445 176.117 -0.136 0.000 1.115 325 I CA 1.137 62.428 61.300 -0.016 0.000 1.392 325 I CB -1.422 36.616 38.000 0.063 0.000 1.065 325 I HN 0.406 nan 8.210 nan 0.000 0.418 326 L N 0.754 121.797 121.223 -0.299 0.000 2.141 326 L HA -0.050 4.292 4.340 0.002 0.000 0.209 326 L C 2.426 179.181 176.870 -0.191 0.000 1.094 326 L CA 1.471 56.026 54.840 -0.475 0.000 0.763 326 L CB -0.550 41.136 42.059 -0.621 0.000 0.908 326 L HN 0.234 nan 8.230 nan 0.000 0.437 327 G N -0.758 107.986 108.800 -0.093 0.000 2.421 327 G HA2 -0.283 3.679 3.960 0.002 0.000 0.216 327 G HA3 -0.283 3.679 3.960 0.002 0.000 0.216 327 G C 1.630 176.512 174.900 -0.029 0.000 1.171 327 G CA 0.718 45.793 45.100 -0.043 0.000 0.775 327 G HN 0.552 nan 8.290 nan 0.000 0.543 328 A N 0.809 123.615 122.820 -0.024 0.000 1.859 328 A HA -0.030 4.291 4.320 0.002 0.000 0.217 328 A C 2.477 180.054 177.584 -0.012 0.000 1.198 328 A CA 1.644 53.681 52.037 -0.000 0.000 0.629 328 A CB -0.653 18.353 19.000 0.011 0.000 0.830 328 A HN 0.351 nan 8.150 nan 0.000 0.446 329 L N -2.017 119.177 121.223 -0.049 0.000 2.042 329 L HA -0.226 4.116 4.340 0.002 0.000 0.210 329 L C 2.765 179.598 176.870 -0.062 0.000 1.076 329 L CA 1.657 56.455 54.840 -0.070 0.000 0.749 329 L CB -0.424 41.572 42.059 -0.106 0.000 0.893 329 L HN 0.359 nan 8.230 nan 0.000 0.432 330 M N 0.030 119.608 119.600 -0.036 0.000 2.175 330 M HA -0.062 4.419 4.480 0.002 0.000 0.264 330 M C 2.114 178.453 176.300 0.064 0.000 1.063 330 M CA 1.628 56.961 55.300 0.055 0.000 1.119 330 M CB -1.101 31.538 32.600 0.065 0.000 1.377 330 M HN 0.195 nan 8.290 nan 0.000 0.415 331 G N -1.080 107.728 108.800 0.012 0.000 2.446 331 G HA2 -0.167 3.794 3.960 0.002 0.000 0.217 331 G HA3 -0.167 3.794 3.960 0.002 0.000 0.217 331 G C 1.446 176.329 174.900 -0.029 0.000 1.168 331 G CA 1.238 46.340 45.100 0.003 0.000 0.771 331 G HN 0.392 nan 8.290 nan 0.000 0.551 332 V N 0.669 120.539 119.914 -0.074 0.000 2.490 332 V HA -0.100 4.022 4.120 0.002 0.000 0.250 332 V C 2.812 178.816 176.094 -0.150 0.000 1.061 332 V CA 1.322 63.477 62.300 -0.242 0.000 1.064 332 V CB -0.377 31.302 31.823 -0.240 0.000 0.670 332 V HN 0.315 nan 8.190 nan 0.000 0.461 333 L N 0.245 121.472 121.223 0.007 0.000 2.179 333 L HA 0.040 4.382 4.340 0.002 0.000 0.208 333 L C 2.561 179.701 176.870 0.451 0.000 1.096 333 L CA 1.331 56.300 54.840 0.215 0.000 0.779 333 L CB -0.782 41.409 42.059 0.220 0.000 0.922 333 L HN 0.443 nan 8.230 nan 0.000 0.443 334 G N -0.617 108.287 108.800 0.173 0.000 2.402 334 G HA2 -0.245 3.717 3.960 0.002 0.000 0.216 334 G HA3 -0.245 3.717 3.960 0.002 0.000 0.216 334 G C 1.748 176.674 174.900 0.044 0.000 1.162 334 G CA 0.750 45.787 45.100 -0.106 0.000 0.777 334 G HN 0.450 nan 8.290 nan 0.000 0.539 335 A N 0.706 123.532 122.820 0.010 0.000 1.851 335 A HA -0.047 4.275 4.320 0.002 0.000 0.216 335 A C 2.375 179.988 177.584 0.048 0.000 1.195 335 A CA 1.820 53.851 52.037 -0.009 0.000 0.622 335 A CB -0.680 18.212 19.000 -0.179 0.000 0.831 335 A HN 0.454 nan 8.150 nan 0.000 0.444 336 L N -1.651 119.622 121.223 0.083 0.000 2.127 336 L HA -0.131 4.211 4.340 0.002 0.000 0.211 336 L C 2.175 179.267 176.870 0.370 0.000 1.089 336 L CA 2.137 57.093 54.840 0.193 0.000 0.757 336 L CB -0.713 41.457 42.059 0.185 0.000 0.899 336 L HN 0.452 nan 8.230 nan 0.000 0.434 337 F N 0.041 120.167 119.950 0.294 0.000 2.075 337 F HA -0.204 4.324 4.527 0.002 0.000 0.297 337 F C 2.186 177.951 175.800 -0.058 0.000 1.113 337 F CA 1.978 59.982 58.000 0.006 0.000 1.218 337 F CB -0.317 38.583 39.000 -0.167 0.000 0.984 337 F HN 0.062 nan 8.300 nan 0.000 0.472 338 I N -0.151 120.369 120.570 -0.085 0.000 2.315 338 I HA -0.242 3.929 4.170 0.002 0.000 0.248 338 I C 2.427 178.462 176.117 -0.137 0.000 1.117 338 I CA 1.146 62.335 61.300 -0.184 0.000 1.404 338 I CB -0.501 37.458 38.000 -0.068 0.000 1.071 338 I HN 0.040 nan 8.210 nan 0.000 0.419 339 R N 0.660 121.136 120.500 -0.039 0.000 2.096 339 R HA -0.133 4.208 4.340 0.002 0.000 0.235 339 R C 2.220 178.510 176.300 -0.017 0.000 1.127 339 R CA 1.750 57.849 56.100 -0.002 0.000 0.968 339 R CB -0.852 29.475 30.300 0.045 0.000 0.861 339 R HN 0.368 nan 8.270 nan 0.000 0.440 340 C N -1.340 117.938 119.300 -0.037 0.000 2.476 340 C HA 0.051 4.513 4.460 0.002 0.000 0.278 340 C C 2.565 177.485 174.990 -0.117 0.000 1.274 340 C CA 0.533 59.534 59.018 -0.029 0.000 1.713 340 C CB -0.660 27.116 27.740 0.059 0.000 2.039 340 C HN 0.321 nan 8.230 nan 0.000 0.484 341 V N 1.226 120.966 119.914 -0.290 0.000 2.252 341 V HA -0.286 3.836 4.120 0.002 0.000 0.249 341 V C 2.618 178.652 176.094 -0.100 0.000 1.056 341 V CA 2.483 64.615 62.300 -0.280 0.000 1.022 341 V CB -0.763 30.791 31.823 -0.448 0.000 0.641 341 V HN 0.529 nan 8.190 nan 0.000 0.445 342 R N -0.350 120.100 120.500 -0.084 0.000 2.081 342 R HA -0.144 4.198 4.340 0.002 0.000 0.235 342 R C 2.472 178.821 176.300 0.081 0.000 1.131 342 R CA 1.925 58.031 56.100 0.010 0.000 0.960 342 R CB -0.325 29.969 30.300 -0.010 0.000 0.856 342 R HN 0.466 nan 8.270 nan 0.000 0.436 343 S N 0.146 115.870 115.700 0.040 0.000 2.387 343 S HA 0.013 4.485 4.470 0.002 0.000 0.226 343 S C 1.786 176.411 174.600 0.041 0.000 1.026 343 S CA 0.972 59.199 58.200 0.044 0.000 0.972 343 S CB -0.053 63.164 63.200 0.029 0.000 0.814 343 S HN 0.277 nan 8.310 nan 0.000 0.477 344 I N 0.040 120.632 120.570 0.037 0.000 2.252 344 I HA -0.187 3.984 4.170 0.002 0.000 0.245 344 I C 2.163 178.311 176.117 0.051 0.000 1.102 344 I CA 1.280 62.596 61.300 0.026 0.000 1.385 344 I CB -0.327 37.685 38.000 0.021 0.000 1.064 344 I HN 0.302 nan 8.210 nan 0.000 0.414 345 Y N 1.842 122.122 120.300 -0.032 0.000 2.089 345 Y HA -0.255 4.296 4.550 0.002 0.000 0.282 345 Y C 2.375 178.284 175.900 0.015 0.000 1.139 345 Y CA 1.790 59.881 58.100 -0.015 0.000 1.123 345 Y CB -0.211 38.235 38.460 -0.023 0.000 0.980 345 Y HN 0.093 nan 8.280 nan 0.000 0.493 346 E N -0.097 120.166 120.200 0.104 0.000 2.478 346 E HA -0.095 4.256 4.350 0.002 0.000 0.198 346 E C 1.667 178.289 176.600 0.037 0.000 1.046 346 E CA 0.766 57.192 56.400 0.044 0.000 0.870 346 E CB -0.220 29.561 29.700 0.135 0.000 0.818 346 E HN 0.587 nan 8.360 nan 0.000 0.527 347 L N -2.308 118.928 121.223 0.021 0.000 2.567 347 L HA 0.188 4.529 4.340 0.002 0.000 0.225 347 L C 1.732 178.653 176.870 0.086 0.000 1.119 347 L CA 0.831 55.701 54.840 0.051 0.000 0.871 347 L CB 0.190 42.219 42.059 -0.051 0.000 1.036 347 L HN -0.188 nan 8.230 nan 0.000 0.459 348 R N -0.816 119.665 120.500 -0.032 0.000 2.173 348 R HA 0.177 4.519 4.340 0.002 0.000 0.208 348 R C 1.696 177.973 176.300 -0.038 0.000 1.035 348 R CA 0.870 56.944 56.100 -0.044 0.000 1.004 348 R CB -0.027 30.173 30.300 -0.168 0.000 0.917 348 R HN 0.370 nan 8.270 nan 0.000 0.462 349 M N -0.476 119.057 119.600 -0.112 0.000 2.325 349 M HA 0.034 4.516 4.480 0.002 0.000 0.265 349 M C 1.919 178.224 176.300 0.007 0.000 1.094 349 M CA 1.432 56.678 55.300 -0.090 0.000 1.161 349 M CB -0.611 31.896 32.600 -0.156 0.000 1.358 349 M HN -0.007 nan 8.290 nan 0.000 0.446 350 R N -0.762 119.783 120.500 0.075 0.000 2.062 350 R HA -0.034 4.308 4.340 0.002 0.000 0.229 350 R C 0.113 176.393 176.300 -0.032 0.000 1.128 350 R CA 0.888 57.027 56.100 0.065 0.000 0.960 350 R CB -0.086 30.323 30.300 0.181 0.000 0.855 350 R HN 0.380 nan 8.270 nan 0.000 0.432 351 H N -1.669 117.440 119.070 0.065 0.000 2.529 351 H HA 0.204 4.761 4.556 0.002 0.000 0.348 351 H C -0.800 174.673 175.328 0.242 0.000 1.152 351 H CA -1.120 54.966 56.048 0.064 0.000 1.202 351 H CB 0.674 30.533 29.762 0.162 0.000 1.562 351 H HN 0.020 nan 8.280 nan 0.000 0.515 352 Y N -1.895 118.461 120.300 0.094 0.000 3.491 352 Y HA -0.204 4.348 4.550 0.002 0.000 0.215 352 Y C -2.212 173.707 175.900 0.032 0.000 1.219 352 Y CA -0.167 57.969 58.100 0.060 0.000 1.485 352 Y CB -2.479 36.020 38.460 0.066 0.000 1.450 352 Y HN 0.503 nan 8.280 nan 0.000 0.603 353 P HA 0.401 nan 4.420 nan 0.000 0.276 353 P C 1.209 178.541 177.300 0.052 0.000 1.244 353 P CA 0.939 64.072 63.100 0.055 0.000 0.801 353 P CB 1.499 33.206 31.700 0.010 0.000 1.006 354 G N 0.332 109.157 108.800 0.041 0.000 2.143 354 G HA2 -0.212 3.750 3.960 0.002 0.000 0.248 354 G HA3 -0.212 3.750 3.960 0.002 0.000 0.248 354 G C 0.229 175.175 174.900 0.078 0.000 0.991 354 G CA 0.237 45.365 45.100 0.047 0.000 0.689 354 G HN 0.677 nan 8.290 nan 0.000 0.522 355 T N 1.213 115.831 114.554 0.106 0.000 2.902 355 T HA 0.298 4.649 4.350 0.002 0.000 0.301 355 T C 0.357 175.141 174.700 0.140 0.000 1.012 355 T CA 0.198 62.398 62.100 0.166 0.000 1.151 355 T CB 0.740 69.724 68.868 0.194 0.000 0.946 355 T HN 0.304 nan 8.240 nan 0.000 0.542 356 N N 2.347 121.153 118.700 0.177 0.000 2.446 356 N HA 0.464 5.205 4.740 0.002 0.000 0.265 356 N C 1.095 176.709 175.510 0.174 0.000 0.975 356 N CA 0.411 53.550 53.050 0.147 0.000 0.928 356 N CB 1.102 39.670 38.487 0.135 0.000 1.160 356 N HN 0.842 nan 8.380 nan 0.000 0.495 357 R N 2.848 123.379 120.500 0.051 0.000 3.864 357 R HA -0.343 3.998 4.340 0.002 0.000 0.295 357 R C 1.282 177.523 176.300 -0.097 0.000 0.444 357 R CA 2.531 58.551 56.100 -0.133 0.000 1.092 357 R CB -2.464 27.605 30.300 -0.385 0.000 0.912 357 R HN 0.706 nan 8.270 nan 0.000 0.587 358 Y N -0.423 119.941 120.300 0.106 0.000 2.220 358 Y HA 0.209 4.760 4.550 0.002 0.000 0.291 358 Y C 2.558 178.527 175.900 0.115 0.000 1.129 358 Y CA 1.542 59.698 58.100 0.094 0.000 1.161 358 Y CB -0.517 37.994 38.460 0.085 0.000 0.997 358 Y HN 0.645 nan 8.280 nan 0.000 0.522 359 F N 0.589 120.657 119.950 0.196 0.000 2.171 359 F HA -0.203 4.326 4.527 0.002 0.000 0.300 359 F C 2.057 177.895 175.800 0.063 0.000 1.090 359 F CA 0.943 59.005 58.000 0.104 0.000 1.293 359 F CB -0.481 38.568 39.000 0.082 0.000 1.013 359 F HN 0.053 nan 8.300 nan 0.000 0.486 360 L N -0.004 121.113 121.223 -0.175 0.000 1.973 360 L HA -0.117 4.224 4.340 0.002 0.000 0.208 360 L C 2.355 179.124 176.870 -0.168 0.000 1.073 360 L CA 1.861 56.540 54.840 -0.269 0.000 0.746 360 L CB -1.116 40.880 42.059 -0.105 0.000 0.891 360 L HN 0.086 nan 8.230 nan 0.000 0.433 361 V N 0.754 120.626 119.914 -0.070 0.000 2.332 361 V HA -0.231 3.890 4.120 0.002 0.000 0.248 361 V C 2.806 178.895 176.094 -0.008 0.000 1.055 361 V CA 1.772 64.054 62.300 -0.030 0.000 1.038 361 V CB -1.526 30.281 31.823 -0.027 0.000 0.651 361 V HN 0.660 nan 8.190 nan 0.000 0.450 362 G N -0.455 108.352 108.800 0.012 0.000 2.418 362 G HA2 -0.197 3.764 3.960 0.002 0.000 0.217 362 G HA3 -0.197 3.764 3.960 0.002 0.000 0.217 362 G C 1.687 176.590 174.900 0.006 0.000 1.158 362 G CA 1.145 46.268 45.100 0.039 0.000 0.771 362 G HN 0.370 nan 8.290 nan 0.000 0.545 363 V N 0.649 120.511 119.914 -0.087 0.000 2.295 363 V HA -0.192 3.930 4.120 0.002 0.000 0.246 363 V C 3.093 179.199 176.094 0.021 0.000 1.049 363 V CA 1.699 63.941 62.300 -0.096 0.000 1.024 363 V CB -0.403 31.232 31.823 -0.313 0.000 0.648 363 V HN 0.263 nan 8.190 nan 0.000 0.447 364 V N 0.329 120.249 119.914 0.011 0.000 2.407 364 V HA -0.260 3.861 4.120 0.002 0.000 0.248 364 V C 2.653 178.821 176.094 0.123 0.000 1.055 364 V CA 1.938 64.310 62.300 0.120 0.000 1.049 364 V CB -1.310 30.553 31.823 0.067 0.000 0.662 364 V HN 0.558 nan 8.190 nan 0.000 0.455 365 A N 0.244 123.105 122.820 0.069 0.000 1.858 365 A HA -0.144 4.177 4.320 0.002 0.000 0.216 365 A C 2.279 179.898 177.584 0.058 0.000 1.190 365 A CA 1.955 54.023 52.037 0.052 0.000 0.617 365 A CB -0.566 18.455 19.000 0.036 0.000 0.827 365 A HN 0.422 nan 8.150 nan 0.000 0.443 366 L N -1.337 119.930 121.223 0.073 0.000 1.976 366 L HA -0.136 4.205 4.340 0.002 0.000 0.209 366 L C 2.345 179.288 176.870 0.121 0.000 1.071 366 L CA 2.812 57.699 54.840 0.077 0.000 0.746 366 L CB -1.225 40.880 42.059 0.076 0.000 0.890 366 L HN 0.418 nan 8.230 nan 0.000 0.432 367 F N 1.428 121.376 119.950 -0.004 0.000 2.115 367 F HA -0.284 4.245 4.527 0.002 0.000 0.300 367 F C 2.401 178.211 175.800 0.017 0.000 1.092 367 F CA 1.947 59.949 58.000 0.003 0.000 1.245 367 F CB -0.731 38.260 39.000 -0.015 0.000 0.995 367 F HN 0.233 nan 8.300 nan 0.000 0.481 368 A N -0.470 122.300 122.820 -0.083 0.000 1.845 368 A HA -0.171 4.150 4.320 0.002 0.000 0.215 368 A C 2.371 179.898 177.584 -0.094 0.000 1.195 368 A CA 2.091 54.034 52.037 -0.156 0.000 0.616 368 A CB -1.400 17.578 19.000 -0.037 0.000 0.832 368 A HN 0.410 nan 8.150 nan 0.000 0.443 369 S N -0.228 115.465 115.700 -0.011 0.000 2.440 369 S HA 0.004 4.475 4.470 0.002 0.000 0.238 369 S C 1.975 176.608 174.600 0.054 0.000 1.010 369 S CA 1.149 59.373 58.200 0.041 0.000 0.972 369 S CB -0.275 62.958 63.200 0.055 0.000 0.774 369 S HN 0.786 nan 8.310 nan 0.000 0.501 370 A N 0.580 123.406 122.820 0.011 0.000 1.956 370 A HA 0.303 4.625 4.320 0.002 0.000 0.212 370 A C 1.834 179.401 177.584 -0.028 0.000 1.188 370 A CA 0.259 52.319 52.037 0.039 0.000 0.675 370 A CB -0.429 18.605 19.000 0.057 0.000 0.845 370 A HN 0.382 nan 8.150 nan 0.000 0.455 371 L N -0.340 120.783 121.223 -0.167 0.000 2.456 371 L HA -0.017 4.325 4.340 0.002 0.000 0.224 371 L C 2.342 179.135 176.870 -0.129 0.000 1.148 371 L CA 2.059 56.764 54.840 -0.225 0.000 0.825 371 L CB -0.381 41.363 42.059 -0.525 0.000 0.937 371 L HN 0.512 nan 8.230 nan 0.000 0.450 372 Q N -2.503 117.248 119.800 -0.082 0.000 2.201 372 Q HA 0.224 4.565 4.340 0.002 0.000 0.236 372 Q C 1.666 177.656 176.000 -0.017 0.000 0.857 372 Q CA 0.501 56.275 55.803 -0.048 0.000 1.025 372 Q CB -1.702 27.012 28.738 -0.039 0.000 1.124 372 Q HN 0.664 nan 8.270 nan 0.000 0.473 373 Y N 1.116 121.416 120.300 -0.001 0.000 2.114 373 Y HA -0.047 4.505 4.550 0.002 0.000 0.284 373 Y C 0.667 176.534 175.900 -0.055 0.000 1.143 373 Y CA 1.711 59.811 58.100 0.001 0.000 1.135 373 Y CB -1.666 36.813 38.460 0.031 0.000 0.980 373 Y HN 0.568 nan 8.280 nan 0.000 0.499 374 P HA 0.199 nan 4.420 nan 0.000 0.242 374 P C 0.048 177.314 177.300 -0.056 0.000 1.197 374 P CA 1.337 64.404 63.100 -0.055 0.000 0.765 374 P CB -0.769 30.906 31.700 -0.041 0.000 0.936 383 R N 1.314 121.762 120.500 -0.086 0.000 2.328 383 R HA 0.287 4.628 4.340 0.002 0.000 0.207 383 R C 1.532 177.784 176.300 -0.081 0.000 1.056 383 R CA 1.765 57.814 56.100 -0.085 0.000 1.016 383 R CB -0.793 29.458 30.300 -0.082 0.000 0.872 383 R HN 0.312 nan 8.270 nan 0.000 0.471 384 A N -0.542 122.236 122.820 -0.069 0.000 1.855 384 A HA -0.092 4.230 4.320 0.002 0.000 0.213 384 A C 2.156 179.706 177.584 -0.056 0.000 1.195 384 A CA 1.590 53.593 52.037 -0.057 0.000 0.610 384 A CB -1.114 17.856 19.000 -0.050 0.000 0.837 384 A HN 0.563 nan 8.150 nan 0.000 0.444 385 T N -0.460 114.061 114.554 -0.055 0.000 2.684 385 T HA -0.168 4.184 4.350 0.002 0.000 0.267 385 T C 1.822 176.490 174.700 -0.053 0.000 1.036 385 T CA 1.553 63.627 62.100 -0.043 0.000 1.148 385 T CB -0.831 68.012 68.868 -0.041 0.000 0.863 385 T HN 0.314 nan 8.240 nan 0.000 0.436 386 I N 3.751 124.261 120.570 -0.100 0.000 2.053 386 I HA -0.344 3.827 4.170 0.002 0.000 0.236 386 I C 2.709 178.602 176.117 -0.374 0.000 1.038 386 I CA 2.417 63.577 61.300 -0.233 0.000 1.304 386 I CB -0.937 36.898 38.000 -0.276 0.000 1.023 386 I HN 0.473 nan 8.210 nan 0.000 0.395 387 N N 0.514 119.022 118.700 -0.320 0.000 2.258 387 N HA -0.252 4.489 4.740 0.002 0.000 0.187 387 N C 1.163 176.678 175.510 0.008 0.000 1.012 387 N CA 2.087 55.025 53.050 -0.187 0.000 0.870 387 N CB -0.438 37.991 38.487 -0.097 0.000 0.977 387 N HN 0.404 nan 8.380 nan 0.000 0.434 388 D N -0.528 119.878 120.400 0.010 0.000 2.162 388 D HA 0.037 4.678 4.640 0.002 0.000 0.203 388 D C 1.658 178.024 176.300 0.110 0.000 0.967 388 D CA 0.655 54.688 54.000 0.054 0.000 0.840 388 D CB -0.015 40.798 40.800 0.021 0.000 0.972 388 D HN 0.218 nan 8.370 nan 0.000 0.482 389 L N -0.391 120.926 121.223 0.157 0.000 2.156 389 L HA -0.061 4.281 4.340 0.002 0.000 0.208 389 L C 1.640 178.706 176.870 0.326 0.000 1.095 389 L CA 0.804 55.775 54.840 0.218 0.000 0.770 389 L CB -0.299 41.894 42.059 0.223 0.000 0.914 389 L HN 0.023 nan 8.230 nan 0.000 0.439 390 F N 0.689 120.661 119.950 0.036 0.000 2.293 390 F HA -0.027 4.501 4.527 0.003 0.000 0.300 390 F C 1.927 177.758 175.800 0.051 0.000 1.086 390 F CA 0.215 58.244 58.000 0.048 0.000 1.375 390 F CB -1.384 37.651 39.000 0.058 0.000 1.045 390 F HN -0.040 nan 8.300 nan 0.000 0.516 391 K N 0.891 121.430 120.400 0.232 0.000 2.469 391 K HA 0.543 4.864 4.320 0.002 0.000 0.274 391 K C 0.419 177.085 176.600 0.109 0.000 0.983 391 K CA 0.266 56.635 56.287 0.138 0.000 0.974 391 K CB -0.498 32.062 32.500 0.100 0.000 0.913 391 K HN 0.277 nan 8.250 nan 0.000 0.493 392 A N 2.235 125.106 122.820 0.085 0.000 3.249 392 A HA 0.519 4.840 4.320 0.002 0.000 0.297 392 A C -0.116 177.503 177.584 0.058 0.000 1.302 392 A CA -0.270 51.811 52.037 0.073 0.000 1.074 392 A CB -0.293 18.750 19.000 0.072 0.000 1.132 392 A HN 0.826 nan 8.150 nan 0.000 0.575 405 E N -0.922 119.269 120.200 -0.015 0.000 3.449 405 E HA -0.169 4.182 4.350 0.002 0.000 0.289 405 E C 1.194 177.780 176.600 -0.023 0.000 0.870 405 E CA 2.676 59.064 56.400 -0.020 0.000 0.946 405 E CB -2.016 27.671 29.700 -0.022 0.000 1.476 405 E HN 2.014 nan 8.360 nan 0.000 0.466 406 L N -1.861 119.350 121.223 -0.018 0.000 3.086 406 L HA 0.480 4.821 4.340 0.002 0.000 0.274 406 L C 1.763 178.625 176.870 -0.013 0.000 1.184 406 L CA 0.793 55.619 54.840 -0.022 0.000 1.002 406 L CB 0.615 42.665 42.059 -0.015 0.000 1.383 406 L HN 0.439 nan 8.230 nan 0.000 0.582 407 I N -1.323 119.247 120.570 -0.001 0.000 2.400 407 I HA -0.141 4.030 4.170 0.002 0.000 0.248 407 I C 1.878 178.006 176.117 0.019 0.000 1.109 407 I CA 1.040 62.354 61.300 0.023 0.000 1.425 407 I CB -0.191 37.819 38.000 0.016 0.000 1.094 407 I HN 0.137 nan 8.210 nan 0.000 0.425 408 L N 0.073 121.295 121.223 -0.003 0.000 2.131 408 L HA -0.127 4.214 4.340 0.002 0.000 0.206 408 L C 2.662 179.514 176.870 -0.030 0.000 1.087 408 L CA 0.558 55.393 54.840 -0.008 0.000 0.767 408 L CB -0.464 41.588 42.059 -0.011 0.000 0.917 408 L HN 0.325 nan 8.230 nan 0.000 0.441 409 M N 1.160 120.730 119.600 -0.051 0.000 2.226 409 M HA -0.198 4.284 4.480 0.002 0.000 0.257 409 M C -0.583 175.640 176.300 -0.128 0.000 1.070 409 M CA 2.640 57.892 55.300 -0.081 0.000 1.087 409 M CB -1.682 30.868 32.600 -0.084 0.000 1.278 409 M HN 0.022 nan 8.290 nan 0.000 0.426 410 P HA 0.023 nan 4.420 nan 0.000 0.220 410 P C 1.834 178.998 177.300 -0.228 0.000 1.152 410 P CA 1.160 64.009 63.100 -0.419 0.000 0.812 410 P CB -0.185 30.951 31.700 -0.940 0.000 0.792 411 I N -1.033 119.505 120.570 -0.054 0.000 2.226 411 I HA -0.213 3.958 4.170 0.002 0.000 0.245 411 I C 2.249 178.427 176.117 0.103 0.000 1.100 411 I CA 1.367 62.715 61.300 0.080 0.000 1.374 411 I CB -0.493 37.548 38.000 0.068 0.000 1.057 411 I HN -0.146 nan 8.210 nan 0.000 0.413 412 I N 0.630 121.222 120.570 0.037 0.000 2.179 412 I HA -0.300 3.871 4.170 0.002 0.000 0.242 412 I C 2.566 178.709 176.117 0.044 0.000 1.088 412 I CA 1.476 62.793 61.300 0.027 0.000 1.357 412 I CB -0.259 37.724 38.000 -0.028 0.000 1.051 412 I HN 0.121 nan 8.210 nan 0.000 0.409 413 K N 0.402 120.808 120.400 0.011 0.000 2.217 413 K HA -0.179 4.142 4.320 0.002 0.000 0.202 413 K C 2.115 178.764 176.600 0.082 0.000 1.051 413 K CA 1.028 57.318 56.287 0.005 0.000 0.952 413 K CB -0.118 32.339 32.500 -0.071 0.000 0.736 413 K HN 0.136 nan 8.250 nan 0.000 0.453 414 F N 1.300 121.235 119.950 -0.026 0.000 2.069 414 F HA -0.226 4.302 4.527 0.002 0.000 0.298 414 F C 1.672 177.612 175.800 0.234 0.000 1.113 414 F CA 1.686 59.752 58.000 0.110 0.000 1.214 414 F CB -0.044 39.039 39.000 0.138 0.000 0.978 414 F HN -0.053 nan 8.300 nan 0.000 0.474 415 I N -0.162 120.680 120.570 0.453 0.000 2.163 415 I HA -0.314 3.857 4.170 0.002 0.000 0.240 415 I C 2.453 178.689 176.117 0.197 0.000 1.081 415 I CA 1.159 62.649 61.300 0.318 0.000 1.353 415 I CB -0.696 37.461 38.000 0.261 0.000 1.054 415 I HN 0.171 nan 8.210 nan 0.000 0.407 416 L N 0.283 121.593 121.223 0.144 0.000 2.043 416 L HA -0.254 4.087 4.340 0.002 0.000 0.212 416 L C 2.553 179.483 176.870 0.100 0.000 1.075 416 L CA 1.374 56.271 54.840 0.094 0.000 0.752 416 L CB -0.346 41.721 42.059 0.015 0.000 0.891 416 L HN 0.142 nan 8.230 nan 0.000 0.432 417 V N -0.591 119.394 119.914 0.118 0.000 2.323 417 V HA -0.206 3.916 4.120 0.002 0.000 0.244 417 V C 2.668 178.856 176.094 0.157 0.000 1.041 417 V CA 1.529 63.914 62.300 0.142 0.000 1.025 417 V CB -0.718 31.196 31.823 0.151 0.000 0.656 417 V HN 0.486 nan 8.190 nan 0.000 0.451 418 A N 0.131 123.049 122.820 0.164 0.000 1.958 418 A HA -0.264 4.058 4.320 0.002 0.000 0.221 418 A C 2.181 179.731 177.584 -0.056 0.000 1.178 418 A CA 2.443 54.409 52.037 -0.118 0.000 0.642 418 A CB -0.624 18.229 19.000 -0.245 0.000 0.816 418 A HN 0.501 nan 8.150 nan 0.000 0.453 419 L N -0.675 120.571 121.223 0.037 0.000 2.072 419 L HA -0.021 4.321 4.340 0.002 0.000 0.205 419 L C 2.374 179.279 176.870 0.059 0.000 1.079 419 L CA 2.617 57.490 54.840 0.056 0.000 0.752 419 L CB -0.627 41.492 42.059 0.100 0.000 0.906 419 L HN 0.210 nan 8.230 nan 0.000 0.436 420 S N -0.009 115.732 115.700 0.068 0.000 2.402 420 S HA -0.033 4.439 4.470 0.002 0.000 0.229 420 S C 1.832 176.467 174.600 0.059 0.000 1.021 420 S CA 1.363 59.602 58.200 0.066 0.000 0.974 420 S CB -0.555 62.688 63.200 0.071 0.000 0.800 420 S HN 0.698 nan 8.310 nan 0.000 0.484 421 I N -0.780 119.819 120.570 0.048 0.000 3.291 421 I HA 0.217 4.388 4.170 0.002 0.000 0.279 421 I C 1.851 177.970 176.117 0.003 0.000 1.294 421 I CA 0.678 61.996 61.300 0.031 0.000 1.428 421 I CB -0.537 37.478 38.000 0.025 0.000 1.070 421 I HN 0.168 nan 8.210 nan 0.000 0.478 422 G N 1.419 110.239 108.800 0.034 0.000 2.880 422 G HA2 0.184 4.146 3.960 0.002 0.000 0.209 422 G HA3 0.184 4.146 3.960 0.002 0.000 0.209 422 G C 0.516 175.519 174.900 0.171 0.000 1.157 422 G CA -0.165 45.005 45.100 0.116 0.000 0.779 422 G HN 0.158 nan 8.290 nan 0.000 0.539 423 L N 0.960 122.240 121.223 0.095 0.000 2.439 423 L HA 0.301 4.642 4.340 0.002 0.000 0.269 423 L C -1.906 175.005 176.870 0.068 0.000 1.179 423 L CA -1.761 53.123 54.840 0.073 0.000 0.828 423 L CB 1.022 43.109 42.059 0.047 0.000 1.106 423 L HN -0.141 nan 8.230 nan 0.000 0.467 424 P HA 0.222 nan 4.420 nan 0.000 0.235 424 P C -1.533 175.778 177.300 0.019 0.000 1.765 424 P CA -0.078 63.042 63.100 0.034 0.000 1.034 424 P CB -0.143 31.562 31.700 0.008 0.000 1.984 425 L N -1.717 119.528 121.223 0.037 0.000 2.947 425 L HA 0.636 4.978 4.340 0.002 0.000 0.267 425 L C -3.212 173.692 176.870 0.056 0.000 1.004 425 L CA -2.916 51.953 54.840 0.048 0.000 0.937 425 L CB -0.265 41.828 42.059 0.056 0.000 1.496 425 L HN -0.285 nan 8.230 nan 0.000 0.409 426 P HA 0.438 nan 4.420 nan 0.000 0.262 426 P C -0.926 176.427 177.300 0.088 0.000 1.199 426 P CA 0.475 63.613 63.100 0.065 0.000 0.763 426 P CB 0.557 32.295 31.700 0.064 0.000 0.790 427 A N 3.820 126.697 122.820 0.095 0.000 2.530 427 A HA 0.635 4.957 4.320 0.002 0.000 0.279 427 A C 0.302 177.970 177.584 0.140 0.000 1.109 427 A CA -0.435 51.668 52.037 0.110 0.000 0.763 427 A CB 0.819 19.869 19.000 0.085 0.000 1.257 427 A HN 0.514 nan 8.150 nan 0.000 0.424 428 G N -0.484 108.424 108.800 0.180 0.000 2.547 428 G HA2 0.498 4.460 3.960 0.002 0.000 0.291 428 G HA3 0.498 4.460 3.960 0.002 0.000 0.291 428 G C 0.130 175.163 174.900 0.220 0.000 1.211 428 G CA 0.144 45.383 45.100 0.230 0.000 0.950 428 G HN 1.226 nan 8.290 nan 0.000 0.504 429 V N -0.075 120.000 119.914 0.268 0.000 3.392 429 V HA 0.227 4.348 4.120 0.002 0.000 0.294 429 V C 1.251 177.493 176.094 0.246 0.000 1.561 429 V CA -0.148 62.285 62.300 0.221 0.000 1.056 429 V CB -0.446 31.478 31.823 0.169 0.000 0.882 429 V HN 0.704 nan 8.190 nan 0.000 0.440 430 F N 0.236 120.321 119.950 0.226 0.000 2.118 430 F HA -0.050 4.479 4.527 0.002 0.000 0.293 430 F C 1.982 177.897 175.800 0.192 0.000 1.102 430 F CA 2.585 60.731 58.000 0.242 0.000 1.247 430 F CB 0.202 39.414 39.000 0.354 0.000 1.017 430 F HN 0.013 nan 8.300 nan 0.000 0.475 431 V N 1.259 121.425 119.914 0.420 0.000 2.515 431 V HA -0.174 3.948 4.120 0.002 0.000 0.250 431 V C -0.733 175.440 176.094 0.132 0.000 1.058 431 V CA 1.845 64.283 62.300 0.229 0.000 1.064 431 V CB -1.687 30.192 31.823 0.094 0.000 0.675 431 V HN 0.237 nan 8.190 nan 0.000 0.461 432 P HA -0.067 nan 4.420 nan 0.000 0.215 432 P C 1.946 179.242 177.300 -0.007 0.000 1.157 432 P CA 1.484 64.605 63.100 0.035 0.000 0.863 432 P CB -0.074 31.654 31.700 0.047 0.000 0.787 433 S N -1.531 114.163 115.700 -0.010 0.000 2.423 433 S HA -0.108 4.363 4.470 0.002 0.000 0.231 433 S C 1.589 176.217 174.600 0.047 0.000 1.014 433 S CA 0.717 58.917 58.200 -0.001 0.000 0.965 433 S CB -1.090 62.060 63.200 -0.082 0.000 0.785 433 S HN 0.038 nan 8.310 nan 0.000 0.495 434 F N 1.680 121.526 119.950 -0.173 0.000 2.134 434 F HA -0.050 4.478 4.527 0.002 0.000 0.299 434 F C 1.806 177.562 175.800 -0.073 0.000 1.097 434 F CA 0.864 58.787 58.000 -0.128 0.000 1.264 434 F CB -0.395 38.555 39.000 -0.082 0.000 1.001 434 F HN 0.110 nan 8.300 nan 0.000 0.479 435 L N -0.200 121.051 121.223 0.046 0.000 2.017 435 L HA -0.217 4.124 4.340 0.002 0.000 0.208 435 L C 2.283 179.021 176.870 -0.221 0.000 1.073 435 L CA 1.595 56.396 54.840 -0.065 0.000 0.745 435 L CB -0.699 41.323 42.059 -0.061 0.000 0.894 435 L HN 0.087 nan 8.230 nan 0.000 0.432 436 I N -1.143 119.231 120.570 -0.328 0.000 2.361 436 I HA -0.219 3.952 4.170 0.002 0.000 0.251 436 I C 2.430 178.076 176.117 -0.785 0.000 1.133 436 I CA 1.250 62.162 61.300 -0.647 0.000 1.413 436 I CB -0.889 36.650 38.000 -0.769 0.000 1.073 436 I HN 0.336 nan 8.210 nan 0.000 0.424 437 G N 0.513 109.011 108.800 -0.503 0.000 2.434 437 G HA2 -0.205 3.756 3.960 0.002 0.000 0.214 437 G HA3 -0.205 3.756 3.960 0.002 0.000 0.214 437 G C 1.904 176.705 174.900 -0.165 0.000 1.202 437 G CA 0.753 45.705 45.100 -0.247 0.000 0.788 437 G HN 0.457 nan 8.290 nan 0.000 0.539 438 A N 0.928 123.647 122.820 -0.168 0.000 1.927 438 A HA 0.018 4.340 4.320 0.002 0.000 0.220 438 A C 2.693 180.249 177.584 -0.047 0.000 1.185 438 A CA 2.439 54.446 52.037 -0.049 0.000 0.639 438 A CB -1.214 17.852 19.000 0.111 0.000 0.820 438 A HN 0.615 nan 8.150 nan 0.000 0.451 439 G N -1.517 107.189 108.800 -0.156 0.000 2.421 439 G HA2 -0.183 3.778 3.960 0.002 0.000 0.216 439 G HA3 -0.183 3.778 3.960 0.002 0.000 0.216 439 G C 1.491 176.335 174.900 -0.094 0.000 1.171 439 G CA 1.000 45.991 45.100 -0.183 0.000 0.775 439 G HN 0.530 nan 8.290 nan 0.000 0.543 440 F N 1.214 121.100 119.950 -0.105 0.000 2.186 440 F HA 0.020 4.548 4.527 0.002 0.000 0.299 440 F C 2.956 178.749 175.800 -0.011 0.000 1.090 440 F CA 0.283 58.235 58.000 -0.079 0.000 1.307 440 F CB -0.011 38.908 39.000 -0.136 0.000 1.019 440 F HN 0.250 nan 8.300 nan 0.000 0.489 441 G N -0.277 108.621 108.800 0.164 0.000 2.432 441 G HA2 -0.266 3.695 3.960 0.002 0.000 0.219 441 G HA3 -0.266 3.695 3.960 0.002 0.000 0.219 441 G C 1.573 176.577 174.900 0.174 0.000 1.135 441 G CA 0.505 45.694 45.100 0.149 0.000 0.767 441 G HN 0.109 nan 8.290 nan 0.000 0.550 442 R N -0.032 120.535 120.500 0.111 0.000 2.093 442 R HA 0.243 4.585 4.340 0.002 0.000 0.224 442 R C 2.407 178.748 176.300 0.067 0.000 1.101 442 R CA 0.667 56.818 56.100 0.084 0.000 0.979 442 R CB -0.829 29.503 30.300 0.054 0.000 0.877 442 R HN 0.388 nan 8.270 nan 0.000 0.441 443 L N -0.706 120.574 121.223 0.095 0.000 2.093 443 L HA -0.151 4.191 4.340 0.002 0.000 0.208 443 L C 1.849 178.749 176.870 0.050 0.000 1.085 443 L CA 1.377 56.263 54.840 0.076 0.000 0.755 443 L CB -0.313 41.826 42.059 0.134 0.000 0.904 443 L HN 0.251 nan 8.230 nan 0.000 0.435 444 Y N -0.181 120.098 120.300 -0.036 0.000 2.220 444 Y HA -0.095 4.456 4.550 0.002 0.000 0.291 444 Y C 2.243 177.991 175.900 -0.253 0.000 1.129 444 Y CA 1.576 59.608 58.100 -0.114 0.000 1.161 444 Y CB -0.459 37.964 38.460 -0.062 0.000 0.997 444 Y HN 0.138 nan 8.280 nan 0.000 0.522 445 G N -0.892 107.886 108.800 -0.038 0.000 2.498 445 G HA2 -0.234 3.728 3.960 0.002 0.000 0.219 445 G HA3 -0.234 3.728 3.960 0.002 0.000 0.219 445 G C 1.380 176.132 174.900 -0.246 0.000 1.119 445 G CA 1.066 46.006 45.100 -0.266 0.000 0.766 445 G HN 0.396 nan 8.290 nan 0.000 0.552 446 E N -0.317 119.786 120.200 -0.160 0.000 2.201 446 E HA 0.228 4.579 4.350 0.002 0.000 0.193 446 E C 2.343 178.839 176.600 -0.173 0.000 0.957 446 E CA -0.046 56.277 56.400 -0.128 0.000 0.858 446 E CB -0.181 29.481 29.700 -0.063 0.000 0.816 446 E HN 0.309 nan 8.360 nan 0.000 0.475 447 L N 0.237 121.328 121.223 -0.221 0.000 2.551 447 L HA -0.021 4.320 4.340 0.002 0.000 0.228 447 L C 1.534 178.204 176.870 -0.334 0.000 1.153 447 L CA 0.378 55.071 54.840 -0.245 0.000 0.851 447 L CB -0.049 41.863 42.059 -0.245 0.000 0.959 447 L HN 0.253 nan 8.230 nan 0.000 0.451 448 M N -1.658 117.672 119.600 -0.451 0.000 2.514 448 M HA 0.033 4.514 4.480 0.002 0.000 0.258 448 M C 2.111 178.256 176.300 -0.259 0.000 1.159 448 M CA 0.607 55.624 55.300 -0.470 0.000 1.116 448 M CB -0.438 31.665 32.600 -0.829 0.000 1.333 448 M HN 0.043 nan 8.290 nan 0.000 0.487 449 R N 1.502 121.867 120.500 -0.226 0.000 2.103 449 R HA -0.126 4.216 4.340 0.002 0.000 0.242 449 R C 2.013 178.281 176.300 -0.054 0.000 1.142 449 R CA 2.197 58.230 56.100 -0.111 0.000 0.960 449 R CB -0.862 29.384 30.300 -0.090 0.000 0.858 449 R HN 0.324 nan 8.270 nan 0.000 0.439 450 V N -1.444 118.431 119.914 -0.065 0.000 2.446 450 V HA -0.048 4.074 4.120 0.002 0.000 0.244 450 V C 2.089 178.175 176.094 -0.013 0.000 1.039 450 V CA 1.401 63.678 62.300 -0.039 0.000 1.045 450 V CB -0.754 31.040 31.823 -0.049 0.000 0.681 450 V HN 0.202 nan 8.190 nan 0.000 0.459 451 V N -3.426 116.496 119.914 0.012 0.000 2.809 451 V HA 0.117 4.238 4.120 0.002 0.000 0.256 451 V C 2.142 178.309 176.094 0.122 0.000 1.080 451 V CA 1.814 64.157 62.300 0.072 0.000 1.102 451 V CB -1.093 30.803 31.823 0.122 0.000 0.705 451 V HN 0.440 nan 8.190 nan 0.000 0.475 452 F N 1.002 120.891 119.950 -0.101 0.000 2.706 452 F HA 0.670 5.198 4.527 0.002 0.000 0.313 452 F C 1.311 177.080 175.800 -0.052 0.000 1.096 452 F CA 0.479 58.435 58.000 -0.073 0.000 1.219 452 F CB 1.174 40.126 39.000 -0.079 0.000 1.051 452 F HN 0.531 nan 8.300 nan 0.000 0.568 453 G N 0.794 109.644 108.800 0.084 0.000 2.592 453 G HA2 -0.264 3.698 3.960 0.002 0.000 0.684 453 G HA3 -0.264 3.698 3.960 0.002 0.000 0.684 453 G C 0.138 175.062 174.900 0.040 0.000 1.291 453 G CA -0.288 44.835 45.100 0.037 0.000 0.891 453 G HN 0.038 nan 8.290 nan 0.000 0.544 454 N N 0.128 118.843 118.700 0.026 0.000 2.364 454 N HA -0.038 4.704 4.740 0.002 0.000 0.183 454 N C 2.625 178.160 175.510 0.042 0.000 1.022 454 N CA 2.203 55.269 53.050 0.026 0.000 0.883 454 N CB -0.483 38.016 38.487 0.019 0.000 0.965 454 N HN 1.157 nan 8.380 nan 0.000 0.438 455 A N 0.655 123.507 122.820 0.053 0.000 2.024 455 A HA -0.053 4.269 4.320 0.002 0.000 0.220 455 A C 1.255 178.889 177.584 0.084 0.000 1.164 455 A CA 0.422 52.499 52.037 0.068 0.000 0.643 455 A CB -0.357 18.689 19.000 0.076 0.000 0.806 455 A HN 0.297 nan 8.150 nan 0.000 0.451 456 I N 1.192 121.810 120.570 0.080 0.000 2.496 456 I HA 0.103 4.274 4.170 0.002 0.000 0.285 456 I C -0.738 175.433 176.117 0.090 0.000 1.080 456 I CA -0.113 61.238 61.300 0.084 0.000 1.404 456 I CB 1.359 39.355 38.000 -0.007 0.000 1.403 456 I HN -0.094 nan 8.210 nan 0.000 0.539 457 V N 9.292 129.306 119.914 0.167 0.000 2.347 457 V HA 0.187 4.308 4.120 0.002 0.000 0.280 457 V C -1.620 174.609 176.094 0.226 0.000 1.021 457 V CA -1.148 61.245 62.300 0.155 0.000 0.847 457 V CB 1.262 33.170 31.823 0.142 0.000 0.990 457 V HN 0.644 nan 8.190 nan 0.000 0.444 458 P HA -0.006 nan 4.420 nan 0.000 0.223 458 P C 1.597 178.995 177.300 0.163 0.000 1.151 458 P CA 0.951 64.124 63.100 0.122 0.000 0.787 458 P CB 0.339 32.063 31.700 0.041 0.000 0.788 459 G N 0.755 109.631 108.800 0.126 0.000 2.421 459 G HA2 -0.253 3.709 3.960 0.002 0.000 0.216 459 G HA3 -0.253 3.709 3.960 0.002 0.000 0.216 459 G C 1.714 176.616 174.900 0.003 0.000 1.171 459 G CA 1.305 46.448 45.100 0.073 0.000 0.775 459 G HN 0.410 nan 8.290 nan 0.000 0.543 460 S N -0.445 115.287 115.700 0.053 0.000 2.447 460 S HA -0.060 4.411 4.470 0.002 0.000 0.233 460 S C 2.047 176.626 174.600 -0.035 0.000 1.006 460 S CA 0.953 59.129 58.200 -0.040 0.000 0.957 460 S CB -0.533 62.671 63.200 0.005 0.000 0.773 460 S HN 0.432 nan 8.310 nan 0.000 0.507 461 Y N 1.678 122.038 120.300 0.100 0.000 2.457 461 Y HA 0.345 4.896 4.550 0.002 0.000 0.292 461 Y C 2.753 178.647 175.900 -0.009 0.000 1.125 461 Y CA 0.334 58.523 58.100 0.148 0.000 1.254 461 Y CB -0.513 38.037 38.460 0.150 0.000 1.012 461 Y HN 0.402 nan 8.280 nan 0.000 0.555 462 A N -0.644 122.191 122.820 0.025 0.000 2.014 462 A HA -0.070 4.251 4.320 0.002 0.000 0.218 462 A C 2.237 179.569 177.584 -0.420 0.000 1.163 462 A CA 1.489 53.455 52.037 -0.118 0.000 0.652 462 A CB -0.909 18.058 19.000 -0.054 0.000 0.808 462 A HN 0.229 nan 8.150 nan 0.000 0.449 463 V N -0.626 118.884 119.914 -0.673 0.000 2.323 463 V HA -0.183 3.939 4.120 0.002 0.000 0.244 463 V C 2.486 178.331 176.094 -0.414 0.000 1.041 463 V CA 1.871 63.663 62.300 -0.846 0.000 1.025 463 V CB -0.784 30.624 31.823 -0.692 0.000 0.656 463 V HN 0.329 nan 8.190 nan 0.000 0.451 464 V N 1.045 120.778 119.914 -0.301 0.000 2.626 464 V HA -0.132 3.989 4.120 0.002 0.000 0.252 464 V C 2.539 178.545 176.094 -0.147 0.000 1.067 464 V CA 1.979 64.145 62.300 -0.224 0.000 1.081 464 V CB -1.171 30.518 31.823 -0.223 0.000 0.686 464 V HN 0.615 nan 8.190 nan 0.000 0.468 465 G N -0.254 108.474 108.800 -0.120 0.000 2.414 465 G HA2 -0.186 3.775 3.960 0.002 0.000 0.215 465 G HA3 -0.186 3.775 3.960 0.002 0.000 0.215 465 G C 1.794 176.618 174.900 -0.127 0.000 1.188 465 G CA 0.928 45.986 45.100 -0.069 0.000 0.783 465 G HN 0.579 nan 8.290 nan 0.000 0.537 466 A N 1.089 123.747 122.820 -0.270 0.000 1.940 466 A HA 0.233 4.555 4.320 0.002 0.000 0.219 466 A C 2.781 180.037 177.584 -0.545 0.000 1.176 466 A CA 2.381 54.096 52.037 -0.536 0.000 0.631 466 A CB -0.725 17.739 19.000 -0.893 0.000 0.814 466 A HN 0.781 nan 8.150 nan 0.000 0.446 467 A N -0.410 122.190 122.820 -0.367 0.000 1.897 467 A HA 0.261 4.582 4.320 0.002 0.000 0.215 467 A C 2.470 179.992 177.584 -0.103 0.000 1.181 467 A CA 1.850 53.777 52.037 -0.183 0.000 0.620 467 A CB -0.879 18.017 19.000 -0.173 0.000 0.821 467 A HN 0.999 nan 8.150 nan 0.000 0.443 468 A N -1.520 121.250 122.820 -0.084 0.000 1.929 468 A HA 0.082 4.403 4.320 0.002 0.000 0.216 468 A C 2.009 179.595 177.584 0.004 0.000 1.176 468 A CA 1.365 53.381 52.037 -0.036 0.000 0.628 468 A CB -0.604 18.380 19.000 -0.028 0.000 0.816 468 A HN 0.617 nan 8.150 nan 0.000 0.444 469 F N 1.997 121.881 119.950 -0.110 0.000 2.163 469 F HA -0.143 4.385 4.527 0.002 0.000 0.297 469 F C 2.637 178.358 175.800 -0.133 0.000 1.094 469 F CA 2.260 60.205 58.000 -0.091 0.000 1.290 469 F CB -0.503 38.457 39.000 -0.067 0.000 1.017 469 F HN 0.311 nan 8.300 nan 0.000 0.483 470 T N -1.262 113.198 114.554 -0.156 0.000 2.833 470 T HA -0.093 4.259 4.350 0.002 0.000 0.269 470 T C 2.079 176.676 174.700 -0.172 0.000 1.054 470 T CA 0.929 62.871 62.100 -0.264 0.000 1.135 470 T CB -1.027 67.627 68.868 -0.356 0.000 0.869 470 T HN 0.267 nan 8.240 nan 0.000 0.466 471 A N 1.374 124.129 122.820 -0.108 0.000 2.066 471 A HA 0.410 4.732 4.320 0.002 0.000 0.218 471 A C 2.533 180.057 177.584 -0.101 0.000 1.157 471 A CA 1.128 53.127 52.037 -0.062 0.000 0.670 471 A CB -1.224 17.755 19.000 -0.035 0.000 0.804 471 A HN 0.579 nan 8.150 nan 0.000 0.453 472 G N -0.796 107.893 108.800 -0.185 0.000 2.404 472 G HA2 -0.036 3.925 3.960 0.002 0.000 0.213 472 G HA3 -0.036 3.925 3.960 0.002 0.000 0.213 472 G C 1.605 176.369 174.900 -0.226 0.000 1.189 472 G CA 1.125 46.108 45.100 -0.194 0.000 0.796 472 G HN 0.502 nan 8.290 nan 0.000 0.532 473 V N 0.462 120.138 119.914 -0.397 0.000 2.323 473 V HA -0.062 4.059 4.120 0.002 0.000 0.244 473 V C 2.825 178.828 176.094 -0.150 0.000 1.041 473 V CA 2.928 65.058 62.300 -0.283 0.000 1.025 473 V CB -0.497 31.070 31.823 -0.426 0.000 0.656 473 V HN 0.346 nan 8.190 nan 0.000 0.451 474 T N -0.115 114.376 114.554 -0.105 0.000 2.896 474 T HA 0.067 4.418 4.350 0.002 0.000 0.263 474 T C 1.123 175.844 174.700 0.035 0.000 1.050 474 T CA 0.823 62.944 62.100 0.035 0.000 1.140 474 T CB -0.075 68.928 68.868 0.226 0.000 0.877 474 T HN 0.500 nan 8.240 nan 0.000 0.457 475 R N -0.576 119.915 120.500 -0.014 0.000 3.892 475 R HA -0.118 4.224 4.340 0.002 0.000 0.441 475 R C 0.099 176.379 176.300 -0.034 0.000 1.052 475 R CA 0.734 56.826 56.100 -0.014 0.000 1.190 475 R CB -2.507 27.798 30.300 0.009 0.000 1.808 475 R HN 0.489 nan 8.270 nan 0.000 0.538 476 A N 1.331 124.115 122.820 -0.059 0.000 2.347 476 A HA 0.448 4.769 4.320 0.002 0.000 0.287 476 A C 1.591 179.161 177.584 -0.024 0.000 1.199 476 A CA -0.279 51.690 52.037 -0.115 0.000 0.851 476 A CB 0.212 19.016 19.000 -0.326 0.000 1.118 476 A HN 0.257 nan 8.150 nan 0.000 0.525 477 L N 2.279 123.489 121.223 -0.023 0.000 2.353 477 L HA -0.136 4.206 4.340 0.002 0.000 0.220 477 L C 2.323 179.205 176.870 0.020 0.000 1.133 477 L CA 1.040 55.880 54.840 -0.000 0.000 0.798 477 L CB -0.025 42.034 42.059 -0.000 0.000 0.922 477 L HN 0.779 nan 8.230 nan 0.000 0.445 478 S N -1.247 114.478 115.700 0.040 0.000 2.423 478 S HA -0.180 4.292 4.470 0.002 0.000 0.231 478 S C 2.079 176.735 174.600 0.093 0.000 1.014 478 S CA 1.142 59.393 58.200 0.086 0.000 0.965 478 S CB -0.388 62.901 63.200 0.147 0.000 0.785 478 S HN 0.544 nan 8.310 nan 0.000 0.495 479 C N 1.960 121.348 119.300 0.148 0.000 2.398 479 C HA -0.154 4.307 4.460 0.002 0.000 0.282 479 C C 2.928 177.918 174.990 -0.000 0.000 1.275 479 C CA 0.495 59.620 59.018 0.179 0.000 1.797 479 C CB -1.722 26.142 27.740 0.208 0.000 1.991 479 C HN 0.685 nan 8.230 nan 0.000 0.505 480 A N 0.345 123.097 122.820 -0.114 0.000 1.877 480 A HA -0.109 4.212 4.320 0.002 0.000 0.216 480 A C 2.289 179.469 177.584 -0.673 0.000 1.186 480 A CA 2.269 54.075 52.037 -0.384 0.000 0.620 480 A CB -0.684 18.191 19.000 -0.207 0.000 0.822 480 A HN 0.388 nan 8.150 nan 0.000 0.443 481 V N 0.227 120.027 119.914 -0.190 0.000 2.515 481 V HA -0.221 3.900 4.120 0.002 0.000 0.250 481 V C 2.377 178.480 176.094 0.015 0.000 1.058 481 V CA 1.770 64.097 62.300 0.045 0.000 1.064 481 V CB -0.717 31.198 31.823 0.153 0.000 0.675 481 V HN 0.556 nan 8.190 nan 0.000 0.461 482 I N -0.338 120.206 120.570 -0.043 0.000 2.202 482 I HA -0.216 3.955 4.170 0.002 0.000 0.242 482 I C 2.391 178.512 176.117 0.008 0.000 1.091 482 I CA 1.489 62.750 61.300 -0.065 0.000 1.368 482 I CB -0.414 37.440 38.000 -0.243 0.000 1.058 482 I HN 0.274 nan 8.210 nan 0.000 0.410 483 I N 0.857 121.450 120.570 0.039 0.000 2.335 483 I HA -0.282 3.890 4.170 0.002 0.000 0.251 483 I C 2.167 178.388 176.117 0.173 0.000 1.129 483 I CA 1.624 63.030 61.300 0.178 0.000 1.402 483 I CB -0.440 37.666 38.000 0.176 0.000 1.069 483 I HN 0.057 nan 8.210 nan 0.000 0.424 484 F N 0.541 120.569 119.950 0.130 0.000 2.039 484 F HA -0.183 4.345 4.527 0.002 0.000 0.294 484 F C 2.561 178.409 175.800 0.080 0.000 1.130 484 F CA 1.229 59.283 58.000 0.091 0.000 1.189 484 F CB -0.619 38.420 39.000 0.064 0.000 0.983 484 F HN 0.013 nan 8.300 nan 0.000 0.471 485 E N 0.542 120.908 120.200 0.277 0.000 2.097 485 E HA -0.212 4.139 4.350 0.002 0.000 0.196 485 E C 2.216 178.887 176.600 0.119 0.000 1.000 485 E CA 1.833 58.331 56.400 0.164 0.000 0.804 485 E CB -0.357 29.416 29.700 0.122 0.000 0.740 485 E HN 0.376 nan 8.360 nan 0.000 0.454 486 V N -0.935 119.044 119.914 0.108 0.000 2.222 486 V HA -0.203 3.918 4.120 0.002 0.000 0.240 486 V C 1.927 178.075 176.094 0.091 0.000 1.040 486 V CA 2.316 64.660 62.300 0.073 0.000 0.988 486 V CB -1.041 30.803 31.823 0.035 0.000 0.633 486 V HN 0.113 nan 8.190 nan 0.000 0.452 487 T N -0.443 114.192 114.554 0.136 0.000 2.964 487 T HA 0.372 4.723 4.350 0.002 0.000 0.249 487 T C 1.157 175.961 174.700 0.174 0.000 1.000 487 T CA 0.371 62.551 62.100 0.135 0.000 0.992 487 T CB -0.163 68.779 68.868 0.123 0.000 1.087 487 T HN 0.930 nan 8.240 nan 0.000 0.489 488 G N 1.297 110.240 108.800 0.239 0.000 2.341 488 G HA2 -0.048 3.913 3.960 0.002 0.000 0.231 488 G HA3 -0.048 3.913 3.960 0.002 0.000 0.231 488 G C 0.373 175.375 174.900 0.169 0.000 1.206 488 G CA -0.040 45.218 45.100 0.263 0.000 0.865 488 G HN 0.371 nan 8.290 nan 0.000 0.515 489 Q N 0.497 120.364 119.800 0.111 0.000 2.384 489 Q HA 0.142 4.484 4.340 0.002 0.000 0.207 489 Q C 0.611 176.585 176.000 -0.044 0.000 0.904 489 Q CA -0.329 55.496 55.803 0.038 0.000 0.933 489 Q CB -0.038 28.716 28.738 0.027 0.000 1.077 489 Q HN 0.624 nan 8.270 nan 0.000 0.522 490 I N 1.395 121.899 120.570 -0.111 0.000 7.004 490 I HA -0.316 3.856 4.170 0.002 0.000 0.126 490 I C 1.002 176.951 176.117 -0.280 0.000 1.826 490 I CA 0.320 61.369 61.300 -0.417 0.000 2.066 490 I CB -1.008 36.696 38.000 -0.494 0.000 3.565 490 I HN 0.154 nan 8.210 nan 0.000 0.178 491 R N 1.567 121.968 120.500 -0.166 0.000 2.088 491 R HA 0.016 4.358 4.340 0.002 0.000 0.232 491 R C 0.689 176.898 176.300 -0.151 0.000 1.136 491 R CA 2.082 58.117 56.100 -0.109 0.000 0.926 491 R CB 0.090 30.375 30.300 -0.026 0.000 0.837 491 R HN 0.590 nan 8.270 nan 0.000 0.429 492 H N -1.312 117.656 119.070 -0.171 0.000 2.947 492 H HA 0.223 4.780 4.556 0.002 0.000 0.354 492 H C 0.243 175.456 175.328 -0.191 0.000 1.085 492 H CA -0.561 55.390 56.048 -0.162 0.000 1.253 492 H CB 1.676 31.386 29.762 -0.087 0.000 1.757 492 H HN 0.030 nan 8.280 nan 0.000 0.523 493 L N 3.604 124.827 121.223 0.000 0.000 2.068 493 L HA -0.077 4.265 4.340 0.002 0.000 0.204 493 L C 2.597 179.586 176.870 0.198 0.000 1.076 493 L CA 0.812 55.731 54.840 0.132 0.000 0.753 493 L CB -0.762 41.375 42.059 0.129 0.000 0.910 493 L HN 0.397 nan 8.230 nan 0.000 0.439 494 V N 0.258 120.260 119.914 0.147 0.000 2.242 494 V HA -0.313 3.809 4.120 0.002 0.000 0.257 494 V C 0.011 176.082 176.094 -0.038 0.000 1.073 494 V CA 2.634 64.942 62.300 0.014 0.000 1.058 494 V CB -2.088 29.665 31.823 -0.116 0.000 0.664 494 V HN 0.354 nan 8.190 nan 0.000 0.451 495 P HA -0.101 nan 4.420 nan 0.000 0.214 495 P C 1.886 179.093 177.300 -0.156 0.000 1.163 495 P CA 1.680 64.691 63.100 -0.148 0.000 0.883 495 P CB -0.221 31.314 31.700 -0.276 0.000 0.788 496 V N -0.858 118.985 119.914 -0.118 0.000 2.343 496 V HA -0.195 3.927 4.120 0.002 0.000 0.247 496 V C 2.408 178.481 176.094 -0.035 0.000 1.051 496 V CA 1.470 63.712 62.300 -0.098 0.000 1.036 496 V CB -1.413 30.425 31.823 0.025 0.000 0.654 496 V HN 0.021 nan 8.190 nan 0.000 0.451 497 L N -0.587 120.669 121.223 0.055 0.000 2.217 497 L HA 0.030 4.372 4.340 0.002 0.000 0.211 497 L C 2.066 178.947 176.870 0.018 0.000 1.107 497 L CA 1.569 56.442 54.840 0.056 0.000 0.783 497 L CB -0.311 41.820 42.059 0.120 0.000 0.919 497 L HN 0.200 nan 8.230 nan 0.000 0.442 498 I N -1.360 119.212 120.570 0.004 0.000 2.233 498 I HA -0.234 3.938 4.170 0.002 0.000 0.243 498 I C 2.471 178.586 176.117 -0.003 0.000 1.093 498 I CA 1.278 62.579 61.300 0.002 0.000 1.380 498 I CB -0.377 37.624 38.000 0.002 0.000 1.067 498 I HN 0.338 nan 8.210 nan 0.000 0.413 499 S N 0.226 115.915 115.700 -0.017 0.000 2.402 499 S HA -0.090 4.381 4.470 0.002 0.000 0.229 499 S C 1.951 176.533 174.600 -0.029 0.000 1.021 499 S CA 0.832 59.020 58.200 -0.019 0.000 0.974 499 S CB -0.828 62.357 63.200 -0.024 0.000 0.800 499 S HN 0.229 nan 8.310 nan 0.000 0.484 500 V N 1.628 121.518 119.914 -0.040 0.000 2.427 500 V HA -0.058 4.064 4.120 0.002 0.000 0.248 500 V C 2.407 178.491 176.094 -0.017 0.000 1.051 500 V CA 1.582 63.859 62.300 -0.037 0.000 1.048 500 V CB -0.791 31.002 31.823 -0.051 0.000 0.666 500 V HN 0.467 nan 8.190 nan 0.000 0.456 501 L N -0.425 120.794 121.223 -0.006 0.000 2.027 501 L HA -0.081 4.260 4.340 0.002 0.000 0.206 501 L C 2.218 179.092 176.870 0.007 0.000 1.074 501 L CA 1.801 56.644 54.840 0.004 0.000 0.745 501 L CB -0.537 41.528 42.059 0.010 0.000 0.898 501 L HN 0.154 nan 8.230 nan 0.000 0.433 502 L N -0.321 120.907 121.223 0.008 0.000 2.043 502 L HA -0.272 4.070 4.340 0.002 0.000 0.212 502 L C 2.702 179.582 176.870 0.017 0.000 1.075 502 L CA 1.497 56.346 54.840 0.014 0.000 0.752 502 L CB -1.068 40.999 42.059 0.013 0.000 0.891 502 L HN 0.463 nan 8.230 nan 0.000 0.432 503 A N -0.393 122.431 122.820 0.006 0.000 1.948 503 A HA -0.171 4.151 4.320 0.002 0.000 0.220 503 A C 2.280 179.871 177.584 0.011 0.000 1.177 503 A CA 2.024 54.064 52.037 0.004 0.000 0.636 503 A CB -0.738 18.254 19.000 -0.014 0.000 0.815 503 A HN 0.257 nan 8.150 nan 0.000 0.449 504 V N 0.207 120.126 119.914 0.008 0.000 2.255 504 V HA -0.250 3.871 4.120 0.002 0.000 0.243 504 V C 2.407 178.521 176.094 0.033 0.000 1.038 504 V CA 1.926 64.234 62.300 0.014 0.000 1.008 504 V CB -0.833 30.994 31.823 0.006 0.000 0.645 504 V HN 0.583 nan 8.190 nan 0.000 0.449 505 I N 0.034 120.622 120.570 0.031 0.000 2.185 505 I HA -0.270 3.901 4.170 0.002 0.000 0.246 505 I C 2.385 178.536 176.117 0.058 0.000 1.088 505 I CA 1.464 62.787 61.300 0.037 0.000 1.347 505 I CB -0.604 37.413 38.000 0.029 0.000 1.041 505 I HN 0.159 nan 8.210 nan 0.000 0.415 506 V N 0.903 120.863 119.914 0.076 0.000 2.244 506 V HA -0.173 3.948 4.120 0.002 0.000 0.244 506 V C 2.543 178.771 176.094 0.223 0.000 1.042 506 V CA 2.273 64.656 62.300 0.138 0.000 1.006 506 V CB -1.272 30.626 31.823 0.125 0.000 0.641 506 V HN 0.562 nan 8.190 nan 0.000 0.446 507 G N -0.560 108.333 108.800 0.155 0.000 2.484 507 G HA2 -0.224 3.738 3.960 0.002 0.000 0.218 507 G HA3 -0.224 3.738 3.960 0.002 0.000 0.218 507 G C 1.369 176.360 174.900 0.152 0.000 1.130 507 G CA 0.561 45.758 45.100 0.161 0.000 0.784 507 G HN 0.465 nan 8.290 nan 0.000 0.543 508 N N 0.716 119.478 118.700 0.104 0.000 2.512 508 N HA 0.080 4.821 4.740 0.002 0.000 0.183 508 N C 2.203 177.754 175.510 0.068 0.000 1.073 508 N CA 0.855 53.949 53.050 0.074 0.000 0.911 508 N CB 0.015 38.532 38.487 0.049 0.000 0.964 508 N HN 0.299 nan 8.380 nan 0.000 0.447 509 A N -0.500 122.369 122.820 0.081 0.000 1.850 509 A HA 0.089 4.411 4.320 0.002 0.000 0.212 509 A C 1.865 179.417 177.584 -0.053 0.000 1.208 509 A CA 0.553 52.575 52.037 -0.025 0.000 0.609 509 A CB -0.793 18.137 19.000 -0.117 0.000 0.860 509 A HN 0.171 nan 8.150 nan 0.000 0.448 510 F N 0.528 120.486 119.950 0.014 0.000 2.051 510 F HA -0.040 4.488 4.527 0.002 0.000 0.296 510 F C 1.285 177.092 175.800 0.013 0.000 1.122 510 F CA 1.271 59.280 58.000 0.016 0.000 1.201 510 F CB -0.488 38.526 39.000 0.022 0.000 0.978 510 F HN 0.128 nan 8.300 nan 0.000 0.472 511 N N -0.929 117.907 118.700 0.226 0.000 2.525 511 N HA 0.368 5.109 4.740 0.002 0.000 0.288 511 N C -0.489 175.065 175.510 0.074 0.000 1.242 511 N CA -0.660 52.464 53.050 0.123 0.000 0.905 511 N CB 1.098 39.644 38.487 0.097 0.000 1.258 511 N HN -0.125 nan 8.380 nan 0.000 0.551 512 R N -0.379 120.148 120.500 0.044 0.000 2.549 512 R HA 0.345 4.686 4.340 0.002 0.000 0.267 512 R C 0.072 176.384 176.300 0.020 0.000 1.045 512 R CA -0.545 55.575 56.100 0.033 0.000 1.115 512 R CB 0.812 31.123 30.300 0.019 0.000 1.121 512 R HN 0.777 nan 8.270 nan 0.000 0.543 513 S N 1.873 117.591 115.700 0.030 0.000 2.558 513 S HA -0.049 4.422 4.470 0.002 0.000 0.288 513 S C 1.498 176.083 174.600 -0.024 0.000 1.318 513 S CA -0.565 57.649 58.200 0.023 0.000 1.056 513 S CB 0.599 63.849 63.200 0.083 0.000 0.853 513 S HN 0.659 nan 8.310 nan 0.000 0.505 514 L N 2.647 123.807 121.223 -0.105 0.000 2.081 514 L HA -0.177 4.164 4.340 0.002 0.000 0.212 514 L C 1.796 178.533 176.870 -0.222 0.000 1.080 514 L CA 2.095 56.813 54.840 -0.204 0.000 0.754 514 L CB -0.903 40.986 42.059 -0.284 0.000 0.893 514 L HN 0.931 nan 8.230 nan 0.000 0.433 515 Y N 0.463 120.745 120.300 -0.030 0.000 2.163 515 Y HA -0.236 4.315 4.550 0.002 0.000 0.288 515 Y C 2.697 178.509 175.900 -0.146 0.000 1.136 515 Y CA 1.567 59.627 58.100 -0.066 0.000 1.147 515 Y CB -0.254 38.179 38.460 -0.046 0.000 0.987 515 Y HN 0.243 nan 8.280 nan 0.000 0.509 516 E N -0.410 119.793 120.200 0.005 0.000 2.110 516 E HA -0.158 4.193 4.350 0.002 0.000 0.193 516 E C 2.025 178.569 176.600 -0.093 0.000 0.988 516 E CA 1.776 58.108 56.400 -0.113 0.000 0.804 516 E CB -0.175 29.518 29.700 -0.012 0.000 0.745 516 E HN 0.463 nan 8.360 nan 0.000 0.458 517 T N 1.355 115.868 114.554 -0.069 0.000 2.821 517 T HA -0.081 4.270 4.350 0.002 0.000 0.267 517 T C 1.959 176.602 174.700 -0.095 0.000 1.046 517 T CA 0.601 62.654 62.100 -0.078 0.000 1.139 517 T CB -0.116 68.705 68.868 -0.079 0.000 0.871 517 T HN 0.082 nan 8.240 nan 0.000 0.454 518 L N 0.785 121.944 121.223 -0.107 0.000 2.131 518 L HA -0.065 4.276 4.340 0.002 0.000 0.210 518 L C 2.589 179.408 176.870 -0.085 0.000 1.092 518 L CA 0.664 55.432 54.840 -0.120 0.000 0.759 518 L CB -0.521 41.482 42.059 -0.094 0.000 0.903 518 L HN 0.153 nan 8.230 nan 0.000 0.435 519 V N -0.100 119.767 119.914 -0.079 0.000 2.358 519 V HA -0.271 3.851 4.120 0.002 0.000 0.246 519 V C 2.307 178.467 176.094 0.110 0.000 1.047 519 V CA 1.529 63.800 62.300 -0.048 0.000 1.035 519 V CB -0.305 31.386 31.823 -0.219 0.000 0.658 519 V HN 0.311 nan 8.190 nan 0.000 0.452 520 L N -1.125 120.141 121.223 0.071 0.000 1.961 520 L HA -0.241 4.100 4.340 0.002 0.000 0.210 520 L C 2.562 179.528 176.870 0.159 0.000 1.072 520 L CA 2.088 56.998 54.840 0.117 0.000 0.749 520 L CB -0.621 41.359 42.059 -0.131 0.000 0.889 520 L HN 0.266 nan 8.230 nan 0.000 0.432 521 M N 0.412 120.032 119.600 0.033 0.000 2.146 521 M HA -0.301 4.181 4.480 0.002 0.000 0.256 521 M C 2.269 178.575 176.300 0.010 0.000 1.075 521 M CA 2.638 57.937 55.300 -0.001 0.000 1.082 521 M CB -0.187 32.311 32.600 -0.170 0.000 1.355 521 M HN 0.302 nan 8.290 nan 0.000 0.402 522 K N -1.315 119.073 120.400 -0.020 0.000 2.358 522 K HA 0.182 4.504 4.320 0.002 0.000 0.197 522 K C 0.451 177.078 176.600 0.045 0.000 1.025 522 K CA 1.173 57.461 56.287 0.002 0.000 1.104 522 K CB -1.753 30.716 32.500 -0.053 0.000 0.855 522 K HN 0.860 nan 8.250 nan 0.000 0.531 523 H N -0.814 118.308 119.070 0.086 0.000 2.794 523 H HA -0.041 4.517 4.556 0.002 0.000 0.334 523 H C -0.087 175.185 175.328 -0.095 0.000 1.154 523 H CA 0.532 56.585 56.048 0.007 0.000 1.129 523 H CB -2.725 27.028 29.762 -0.015 0.000 1.600 523 H HN 0.514 nan 8.280 nan 0.000 0.410 524 L N 1.694 122.881 121.223 -0.059 0.000 2.329 524 L HA 0.552 4.893 4.340 0.002 0.000 0.279 524 L C -2.022 174.741 176.870 -0.179 0.000 1.014 524 L CA -2.136 52.640 54.840 -0.105 0.000 0.814 524 L CB 2.280 44.314 42.059 -0.041 0.000 1.257 524 L HN 0.317 nan 8.230 nan 0.000 0.424 525 P HA -0.015 nan 4.420 nan 0.000 0.266 525 P C -1.477 175.598 177.300 -0.374 0.000 1.215 525 P CA 0.298 62.951 63.100 -0.745 0.000 0.763 525 P CB 0.016 30.748 31.700 -1.612 0.000 0.806 526 Y N 3.986 124.201 120.300 -0.142 0.000 2.317 526 Y HA 0.333 4.884 4.550 0.002 0.000 0.325 526 Y C 1.007 177.098 175.900 0.319 0.000 1.066 526 Y CA -0.932 57.267 58.100 0.165 0.000 1.203 526 Y CB 1.396 39.958 38.460 0.169 0.000 1.127 526 Y HN 0.200 nan 8.280 nan 0.000 0.451 527 M N 6.350 126.054 119.600 0.174 0.000 2.144 527 M HA -0.047 4.435 4.480 0.002 0.000 0.260 527 M C -1.253 175.047 176.300 0.001 0.000 1.067 527 M CA 2.307 57.671 55.300 0.107 0.000 1.095 527 M CB -0.517 32.060 32.600 -0.038 0.000 1.365 527 M HN 0.499 nan 8.290 nan 0.000 0.406 528 P HA 0.127 nan 4.420 nan 0.000 0.240 528 P C -0.320 177.093 177.300 0.188 0.000 1.190 528 P CA 0.781 63.808 63.100 -0.120 0.000 0.781 528 P CB -0.140 31.384 31.700 -0.293 0.000 0.931 529 I N -0.002 120.671 120.570 0.173 0.000 2.385 529 I HA 0.176 4.348 4.170 0.002 0.000 0.294 529 I C 0.369 176.579 176.117 0.155 0.000 0.988 529 I CA -1.217 60.205 61.300 0.203 0.000 1.265 529 I CB 1.077 39.202 38.000 0.209 0.000 1.388 529 I HN -0.195 nan 8.210 nan 0.000 0.480 530 L N 6.462 127.657 121.223 -0.048 0.000 2.395 530 L HA 0.306 4.647 4.340 0.002 0.000 0.269 530 L C 0.551 177.448 176.870 0.044 0.000 1.133 530 L CA 0.068 54.807 54.840 -0.168 0.000 0.812 530 L CB 0.412 42.299 42.059 -0.286 0.000 1.125 530 L HN 0.465 nan 8.230 nan 0.000 0.452 531 R N 3.406 123.952 120.500 0.078 0.000 2.566 531 R HA -0.026 4.316 4.340 0.002 0.000 0.273 531 R C 1.086 177.457 176.300 0.118 0.000 0.981 531 R CA -0.096 56.096 56.100 0.153 0.000 1.091 531 R CB 0.300 30.653 30.300 0.087 0.000 0.924 531 R HN 0.562 nan 8.270 nan 0.000 0.411 532 R N 2.153 122.755 120.500 0.170 0.000 2.159 532 R HA -0.177 4.165 4.340 0.002 0.000 0.237 532 R C 0.923 177.263 176.300 0.066 0.000 1.131 532 R CA 2.008 58.166 56.100 0.097 0.000 0.982 532 R CB -0.300 30.071 30.300 0.118 0.000 0.868 532 R HN 0.732 nan 8.270 nan 0.000 0.453 533 D N -0.445 119.997 120.400 0.070 0.000 2.363 533 D HA 0.007 4.648 4.640 0.002 0.000 0.214 533 D C 0.008 176.335 176.300 0.045 0.000 1.093 533 D CA -0.176 53.856 54.000 0.053 0.000 0.837 533 D CB 0.259 41.092 40.800 0.055 0.000 0.948 533 D HN -0.096 nan 8.370 nan 0.000 0.507 534 R N 0.567 121.091 120.500 0.039 0.000 2.393 534 R HA 0.418 4.759 4.340 0.002 0.000 0.315 534 R C -0.664 175.648 176.300 0.020 0.000 0.952 534 R CA -0.690 55.430 56.100 0.032 0.000 0.842 534 R CB 1.797 32.117 30.300 0.033 0.000 1.163 534 R HN 0.016 nan 8.270 nan 0.000 0.450 535 S N 3.094 118.809 115.700 0.026 0.000 2.576 535 S HA 0.177 4.649 4.470 0.002 0.000 0.276 535 S C -1.222 173.394 174.600 0.027 0.000 1.339 535 S CA -1.408 56.806 58.200 0.023 0.000 1.039 535 S CB 0.685 63.901 63.200 0.027 0.000 0.902 535 S HN 0.433 nan 8.310 nan 0.000 0.516 536 P HA 0.027 nan 4.420 nan 0.000 0.237 536 P C 0.466 177.794 177.300 0.047 0.000 1.178 536 P CA 0.543 63.667 63.100 0.040 0.000 0.766 536 P CB 0.215 31.939 31.700 0.041 0.000 0.876 537 E N -0.356 119.868 120.200 0.040 0.000 2.250 537 E HA 0.098 4.450 4.350 0.002 0.000 0.192 537 E C 1.160 177.787 176.600 0.047 0.000 0.986 537 E CA 0.149 56.574 56.400 0.041 0.000 0.849 537 E CB -0.559 29.161 29.700 0.034 0.000 0.797 537 E HN 0.406 nan 8.360 nan 0.000 0.482 538 M N 1.859 121.487 119.600 0.047 0.000 2.261 538 M HA -0.025 4.456 4.480 0.002 0.000 0.350 538 M C 0.638 176.971 176.300 0.055 0.000 1.343 538 M CA 0.372 55.702 55.300 0.050 0.000 1.003 538 M CB -0.038 32.592 32.600 0.050 0.000 1.848 538 M HN -0.088 nan 8.290 nan 0.000 0.456 539 T N 0.431 115.019 114.554 0.057 0.000 2.898 539 T HA 0.374 4.725 4.350 0.002 0.000 0.301 539 T C 1.249 175.978 174.700 0.048 0.000 1.049 539 T CA -0.422 61.713 62.100 0.058 0.000 1.095 539 T CB 1.247 70.158 68.868 0.071 0.000 0.976 539 T HN 0.709 nan 8.240 nan 0.000 0.539 540 A N 1.924 124.762 122.820 0.030 0.000 1.948 540 A HA -0.154 4.167 4.320 0.002 0.000 0.220 540 A C 2.553 180.152 177.584 0.025 0.000 1.177 540 A CA 1.519 53.568 52.037 0.020 0.000 0.636 540 A CB -0.785 18.206 19.000 -0.015 0.000 0.815 540 A HN 0.916 nan 8.150 nan 0.000 0.449 541 R N -0.538 119.982 120.500 0.033 0.000 2.105 541 R HA -0.174 4.167 4.340 0.002 0.000 0.239 541 R C 2.042 178.372 176.300 0.049 0.000 1.135 541 R CA 1.726 57.851 56.100 0.042 0.000 0.967 541 R CB -0.301 30.031 30.300 0.053 0.000 0.861 541 R HN 0.724 nan 8.270 nan 0.000 0.442 542 E N 0.092 120.323 120.200 0.052 0.000 2.153 542 E HA -0.172 4.179 4.350 0.002 0.000 0.194 542 E C 1.907 178.545 176.600 0.064 0.000 0.988 542 E CA 1.422 57.855 56.400 0.056 0.000 0.811 542 E CB 0.012 29.744 29.700 0.053 0.000 0.746 542 E HN 0.523 nan 8.360 nan 0.000 0.466 543 I N -1.614 118.991 120.570 0.058 0.000 3.939 543 I HA 0.139 4.310 4.170 0.002 0.000 0.313 543 I C 1.185 177.315 176.117 0.021 0.000 1.274 543 I CA -0.368 60.967 61.300 0.059 0.000 1.301 543 I CB -0.171 37.860 38.000 0.052 0.000 1.105 543 I HN -0.091 nan 8.210 nan 0.000 0.427 544 M N 1.709 121.310 119.600 0.002 0.000 2.252 544 M HA 0.185 4.667 4.480 0.002 0.000 0.321 544 M C -0.758 175.580 176.300 0.064 0.000 1.070 544 M CA 0.865 56.135 55.300 -0.049 0.000 1.143 544 M CB -0.411 32.185 32.600 -0.008 0.000 1.498 544 M HN 0.083 nan 8.290 nan 0.000 0.445 545 H N 1.240 120.328 119.070 0.030 0.000 2.519 545 H HA 0.393 4.950 4.556 0.002 0.000 0.316 545 H C -2.361 172.970 175.328 0.006 0.000 1.065 545 H CA -2.134 53.927 56.048 0.022 0.000 1.264 545 H CB 0.513 30.289 29.762 0.023 0.000 1.413 545 H HN 0.484 nan 8.280 nan 0.000 0.465 546 P HA -0.109 nan 4.420 nan 0.000 0.265 546 P C 0.885 178.212 177.300 0.046 0.000 1.187 546 P CA 0.341 63.482 63.100 0.068 0.000 0.766 546 P CB 0.975 32.711 31.700 0.060 0.000 0.820 547 I N 1.997 122.567 120.570 0.001 0.000 2.493 547 I HA -0.246 3.925 4.170 0.002 0.000 0.254 547 I C 1.375 177.497 176.117 0.008 0.000 1.160 547 I CA 1.509 62.786 61.300 -0.038 0.000 1.445 547 I CB 0.130 38.057 38.000 -0.121 0.000 1.086 547 I HN 0.325 nan 8.210 nan 0.000 0.433 548 E N 0.705 120.922 120.200 0.030 0.000 2.085 548 E HA -0.173 4.179 4.350 0.002 0.000 0.194 548 E C 2.035 178.738 176.600 0.171 0.000 0.994 548 E CA 1.507 57.969 56.400 0.104 0.000 0.801 548 E CB -0.595 29.152 29.700 0.079 0.000 0.743 548 E HN 0.585 nan 8.360 nan 0.000 0.453 549 G N -0.162 108.710 108.800 0.121 0.000 2.494 549 G HA2 -0.111 3.850 3.960 0.002 0.000 0.216 549 G HA3 -0.111 3.850 3.960 0.002 0.000 0.216 549 G C 0.526 175.503 174.900 0.128 0.000 1.140 549 G CA -0.116 45.063 45.100 0.133 0.000 0.801 549 G HN 0.107 nan 8.290 nan 0.000 0.536 550 E N 1.481 121.721 120.200 0.065 0.000 2.331 550 E HA 0.317 4.668 4.350 0.002 0.000 0.272 550 E C -2.119 174.398 176.600 -0.138 0.000 1.036 550 E CA -2.552 53.820 56.400 -0.047 0.000 0.864 550 E CB 1.138 30.823 29.700 -0.025 0.000 1.035 550 E HN 0.039 nan 8.360 nan 0.000 0.408 551 P HA 0.049 nan 4.420 nan 0.000 0.268 551 P C -0.898 176.255 177.300 -0.245 0.000 1.205 551 P CA 0.404 63.123 63.100 -0.636 0.000 0.771 551 P CB 0.408 31.530 31.700 -0.963 0.000 0.858 552 H N 0.662 119.566 119.070 -0.276 0.000 3.037 552 H HA 0.645 5.203 4.556 0.002 0.000 0.355 552 H C -1.837 173.232 175.328 -0.432 0.000 1.263 552 H CA -1.101 54.758 56.048 -0.316 0.000 1.129 552 H CB 1.153 30.705 29.762 -0.350 0.000 1.861 552 H HN 0.234 nan 8.280 nan 0.000 0.546 553 L N 1.105 122.107 121.223 -0.367 0.000 2.333 553 L HA 0.594 4.936 4.340 0.002 0.000 0.263 553 L C -1.452 175.094 176.870 -0.541 0.000 1.014 553 L CA -0.549 54.042 54.840 -0.414 0.000 0.820 553 L CB 1.943 43.869 42.059 -0.222 0.000 1.352 553 L HN 0.561 nan 8.230 nan 0.000 0.421 554 F N 1.763 121.654 119.950 -0.097 0.000 2.579 554 F HA 0.537 5.066 4.527 0.002 0.000 0.324 554 F C -1.618 174.138 175.800 -0.072 0.000 1.058 554 F CA -1.417 56.544 58.000 -0.066 0.000 0.944 554 F CB 0.860 39.808 39.000 -0.086 0.000 1.245 554 F HN 0.356 nan 8.300 nan 0.000 0.477 555 P HA -0.048 nan 4.420 nan 0.000 0.220 555 P C 0.427 177.761 177.300 0.057 0.000 1.152 555 P CA 1.207 64.355 63.100 0.079 0.000 0.812 555 P CB 0.254 31.997 31.700 0.072 0.000 0.792 556 D N -0.822 119.615 120.400 0.061 0.000 2.269 556 D HA -0.061 4.580 4.640 0.002 0.000 0.208 556 D C 0.443 176.734 176.300 -0.015 0.000 0.963 556 D CA 0.621 54.627 54.000 0.009 0.000 0.864 556 D CB -0.545 40.238 40.800 -0.028 0.000 0.936 556 D HN 0.165 nan 8.370 nan 0.000 0.505 557 S N 1.359 117.036 115.700 -0.038 0.000 2.515 557 S HA 0.036 4.507 4.470 0.002 0.000 0.285 557 S C 0.469 175.046 174.600 -0.039 0.000 1.265 557 S CA -0.608 57.511 58.200 -0.134 0.000 1.079 557 S CB 0.956 63.825 63.200 -0.551 0.000 0.877 557 S HN -0.037 nan 8.310 nan 0.000 0.493 558 E N 3.456 123.681 120.200 0.041 0.000 2.416 558 E HA 0.129 4.481 4.350 0.002 0.000 0.254 558 E C -1.448 175.199 176.600 0.078 0.000 1.241 558 E CA -1.971 54.464 56.400 0.058 0.000 0.969 558 E CB -0.228 29.509 29.700 0.061 0.000 0.999 558 E HN 0.400 nan 8.360 nan 0.000 0.481 559 P HA -0.192 nan 4.420 nan 0.000 0.218 559 P C 1.371 178.714 177.300 0.072 0.000 1.148 559 P CA 1.597 64.736 63.100 0.064 0.000 0.822 559 P CB 0.059 31.791 31.700 0.053 0.000 0.784 560 Q N -0.980 118.863 119.800 0.071 0.000 2.181 560 Q HA -0.256 4.085 4.340 0.002 0.000 0.205 560 Q C 1.965 178.013 176.000 0.079 0.000 0.980 560 Q CA 1.581 57.419 55.803 0.059 0.000 0.862 560 Q CB -1.174 27.590 28.738 0.043 0.000 0.905 560 Q HN 0.383 nan 8.270 nan 0.000 0.429 561 H N 1.664 120.738 119.070 0.007 0.000 2.317 561 H HA -0.015 4.543 4.556 0.002 0.000 0.304 561 H C 2.308 177.630 175.328 -0.010 0.000 1.067 561 H CA 1.597 57.647 56.048 0.004 0.000 1.352 561 H CB 0.005 29.779 29.762 0.020 0.000 1.398 561 H HN 0.392 nan 8.280 nan 0.000 0.510 562 I N -0.665 120.047 120.570 0.236 0.000 2.567 562 I HA -0.109 4.062 4.170 0.002 0.000 0.257 562 I C 2.128 178.285 176.117 0.067 0.000 1.184 562 I CA 1.280 62.653 61.300 0.121 0.000 1.451 562 I CB -0.198 37.828 38.000 0.043 0.000 1.089 562 I HN 0.044 nan 8.210 nan 0.000 0.441 563 K N 2.124 122.562 120.400 0.063 0.000 2.097 563 K HA -0.020 4.301 4.320 0.002 0.000 0.206 563 K C 2.025 178.641 176.600 0.026 0.000 1.049 563 K CA 1.651 57.964 56.287 0.043 0.000 0.933 563 K CB -1.036 31.483 32.500 0.031 0.000 0.717 563 K HN 0.465 nan 8.250 nan 0.000 0.442 564 G N 0.924 109.725 108.800 0.003 0.000 2.552 564 G HA2 -0.261 3.701 3.960 0.002 0.000 0.216 564 G HA3 -0.261 3.701 3.960 0.002 0.000 0.216 564 G C 1.533 176.428 174.900 -0.009 0.000 1.240 564 G CA 1.368 46.446 45.100 -0.036 0.000 0.796 564 G HN 0.301 nan 8.290 nan 0.000 0.568 565 I N 0.297 120.876 120.570 0.015 0.000 2.151 565 I HA -0.161 4.011 4.170 0.002 0.000 0.243 565 I C 2.601 178.815 176.117 0.162 0.000 1.080 565 I CA 0.657 62.012 61.300 0.092 0.000 1.339 565 I CB -0.428 37.488 38.000 -0.140 0.000 1.039 565 I HN 0.125 nan 8.210 nan 0.000 0.409 566 L N 0.753 122.038 121.223 0.104 0.000 2.021 566 L HA -0.281 4.060 4.340 0.002 0.000 0.215 566 L C 2.612 179.596 176.870 0.191 0.000 1.074 566 L CA 2.413 57.393 54.840 0.233 0.000 0.760 566 L CB -0.711 41.451 42.059 0.172 0.000 0.889 566 L HN 0.545 nan 8.230 nan 0.000 0.433 567 E N -1.943 118.315 120.200 0.097 0.000 2.140 567 E HA -0.140 4.212 4.350 0.002 0.000 0.191 567 E C 2.011 178.617 176.600 0.009 0.000 0.973 567 E CA 0.575 57.006 56.400 0.052 0.000 0.829 567 E CB -0.368 29.343 29.700 0.018 0.000 0.781 567 E HN 0.381 nan 8.360 nan 0.000 0.466 568 K N 0.018 120.387 120.400 -0.050 0.000 2.217 568 K HA 0.039 4.361 4.320 0.002 0.000 0.202 568 K C -0.128 176.253 176.600 -0.364 0.000 1.051 568 K CA 0.644 56.795 56.287 -0.226 0.000 0.952 568 K CB 0.087 32.391 32.500 -0.327 0.000 0.736 568 K HN 0.137 nan 8.250 nan 0.000 0.453 569 F N 1.855 121.842 119.950 0.062 0.000 2.334 569 F HA 0.257 4.785 4.527 0.002 0.000 0.343 569 F C -2.230 173.644 175.800 0.124 0.000 1.136 569 F CA -2.711 55.349 58.000 0.101 0.000 1.237 569 F CB 0.693 39.788 39.000 0.158 0.000 1.525 569 F HN -0.126 nan 8.300 nan 0.000 0.528 570 P HA 0.166 nan 4.420 nan 0.000 0.275 570 P C -0.003 177.378 177.300 0.135 0.000 1.270 570 P CA 0.030 63.216 63.100 0.144 0.000 0.791 570 P CB 0.553 32.300 31.700 0.079 0.000 1.089 571 N N -4.355 114.394 118.700 0.082 0.000 2.895 571 N HA -0.232 4.510 4.740 0.002 0.000 0.237 571 N C 0.115 175.637 175.510 0.020 0.000 0.934 571 N CA 1.297 54.375 53.050 0.048 0.000 0.984 571 N CB -1.798 36.720 38.487 0.052 0.000 1.089 571 N HN 0.384 nan 8.380 nan 0.000 0.604 572 R N 1.005 121.523 120.500 0.031 0.000 2.389 572 R HA 0.386 4.727 4.340 0.002 0.000 0.295 572 R C 0.978 177.098 176.300 -0.301 0.000 1.075 572 R CA 0.147 56.192 56.100 -0.092 0.000 1.005 572 R CB 0.284 30.589 30.300 0.007 0.000 0.987 572 R HN 0.291 nan 8.270 nan 0.000 0.452 573 L N 3.273 124.318 121.223 -0.297 0.000 2.609 573 L HA 0.294 4.636 4.340 0.002 0.000 0.230 573 L C -0.256 176.405 176.870 -0.348 0.000 1.064 573 L CA -0.071 54.605 54.840 -0.273 0.000 0.873 573 L CB 0.521 42.503 42.059 -0.128 0.000 1.139 573 L HN 0.263 nan 8.230 nan 0.000 0.490 574 V N -0.728 118.978 119.914 -0.346 0.000 2.555 574 V HA 0.440 4.562 4.120 0.002 0.000 0.302 574 V C -1.011 174.902 176.094 -0.303 0.000 1.038 574 V CA -0.515 61.646 62.300 -0.231 0.000 0.887 574 V CB 1.816 33.630 31.823 -0.014 0.000 0.991 574 V HN -0.134 nan 8.190 nan 0.000 0.434 575 F N 4.164 124.130 119.950 0.027 0.000 2.427 575 F HA 0.590 5.118 4.527 0.002 0.000 0.348 575 F C -2.427 173.384 175.800 0.019 0.000 1.125 575 F CA -3.091 54.901 58.000 -0.012 0.000 0.989 575 F CB 1.836 40.819 39.000 -0.028 0.000 1.165 575 F HN 0.288 nan 8.300 nan 0.000 0.442 576 P HA 0.101 nan 4.420 nan 0.000 0.271 576 P C -0.718 176.616 177.300 0.056 0.000 1.226 576 P CA 0.010 63.193 63.100 0.138 0.000 0.765 576 P CB 1.249 32.895 31.700 -0.090 0.000 0.835 577 V N 6.167 126.122 119.914 0.067 0.000 2.409 577 V HA 0.612 4.734 4.120 0.002 0.000 0.291 577 V C -0.272 175.818 176.094 -0.006 0.000 1.020 577 V CA -0.656 61.639 62.300 -0.008 0.000 0.848 577 V CB 0.340 32.180 31.823 0.029 0.000 0.990 577 V HN 0.398 nan 8.190 nan 0.000 0.430 578 I N 3.086 123.607 120.570 -0.083 0.000 3.042 578 I HA 0.761 4.932 4.170 0.002 0.000 0.310 578 I C -0.440 175.733 176.117 0.094 0.000 1.117 578 I CA -1.031 60.266 61.300 -0.004 0.000 1.003 578 I CB 2.106 40.080 38.000 -0.043 0.000 1.228 578 I HN 0.591 nan 8.210 nan 0.000 0.443 579 D N 2.444 122.919 120.400 0.126 0.000 2.440 579 D HA 0.479 5.121 4.640 0.002 0.000 0.269 579 D C 0.131 176.555 176.300 0.208 0.000 1.249 579 D CA -0.524 53.572 54.000 0.159 0.000 1.055 579 D CB 0.270 41.112 40.800 0.069 0.000 1.104 579 D HN 0.832 nan 8.370 nan 0.000 0.561 580 A N -0.570 122.291 122.820 0.068 0.000 2.388 580 A HA 0.359 4.680 4.320 0.002 0.000 0.257 580 A C 0.030 177.547 177.584 -0.112 0.000 1.095 580 A CA -0.450 51.568 52.037 -0.032 0.000 0.791 580 A CB -0.497 18.444 19.000 -0.099 0.000 1.029 580 A HN 0.603 nan 8.150 nan 0.000 0.489 581 N N 0.079 118.701 118.700 -0.131 0.000 2.708 581 N HA -0.135 4.607 4.740 0.002 0.000 0.255 581 N C 0.393 175.616 175.510 -0.478 0.000 1.046 581 N CA 1.247 54.143 53.050 -0.257 0.000 0.715 581 N CB -1.365 36.953 38.487 -0.281 0.000 0.895 581 N HN 1.292 nan 8.380 nan 0.000 0.545 582 G N 0.511 109.179 108.800 -0.220 0.000 2.138 582 G HA2 0.104 4.065 3.960 0.002 0.000 0.256 582 G HA3 0.104 4.065 3.960 0.002 0.000 0.256 582 G C -0.374 174.480 174.900 -0.077 0.000 1.141 582 G CA 0.282 45.306 45.100 -0.127 0.000 0.967 582 G HN 0.284 nan 8.290 nan 0.000 0.435 583 Y N 1.094 121.418 120.300 0.041 0.000 2.468 583 Y HA 0.386 4.937 4.550 0.002 0.000 0.342 583 Y C 0.634 176.552 175.900 0.031 0.000 1.021 583 Y CA -1.734 56.384 58.100 0.031 0.000 1.079 583 Y CB 1.694 40.174 38.460 0.032 0.000 1.226 583 Y HN 0.378 nan 8.280 nan 0.000 0.460 584 L N 3.850 125.200 121.223 0.211 0.000 2.499 584 L HA 0.170 4.511 4.340 0.002 0.000 0.273 584 L C -0.463 176.467 176.870 0.100 0.000 1.195 584 L CA 0.705 55.625 54.840 0.133 0.000 0.882 584 L CB 0.070 42.192 42.059 0.105 0.000 1.133 584 L HN 0.577 nan 8.230 nan 0.000 0.483 585 L N 2.494 123.775 121.223 0.097 0.000 2.441 585 L HA 0.820 5.161 4.340 0.002 0.000 0.240 585 L C -0.299 176.625 176.870 0.090 0.000 1.145 585 L CA -0.770 54.112 54.840 0.069 0.000 1.025 585 L CB 2.044 44.139 42.059 0.060 0.000 1.585 585 L HN 0.526 nan 8.230 nan 0.000 0.410 586 G N 0.059 108.898 108.800 0.065 0.000 2.334 586 G HA2 0.640 4.601 3.960 0.002 0.000 0.290 586 G HA3 0.640 4.601 3.960 0.002 0.000 0.290 586 G C -1.699 173.237 174.900 0.060 0.000 1.310 586 G CA 0.196 45.346 45.100 0.084 0.000 1.308 586 G HN 0.635 nan 8.290 nan 0.000 0.612 587 A N 2.725 125.599 122.820 0.090 0.000 2.294 587 A HA 0.863 5.184 4.320 0.002 0.000 0.330 587 A C 0.388 178.015 177.584 0.072 0.000 1.133 587 A CA -0.782 51.303 52.037 0.078 0.000 0.836 587 A CB 1.087 20.146 19.000 0.099 0.000 1.190 587 A HN 1.142 nan 8.150 nan 0.000 0.492 588 I N 0.527 121.121 120.570 0.039 0.000 3.269 588 I HA 0.150 4.321 4.170 0.002 0.000 0.287 588 I C 1.391 177.505 176.117 -0.005 0.000 1.152 588 I CA 0.473 61.769 61.300 -0.006 0.000 1.263 588 I CB 1.477 39.469 38.000 -0.012 0.000 1.439 588 I HN 0.744 nan 8.210 nan 0.000 0.637 589 S N 2.122 117.739 115.700 -0.138 0.000 2.432 589 S HA 0.119 4.590 4.470 0.002 0.000 0.203 589 S C 1.866 176.454 174.600 -0.020 0.000 0.987 589 S CA -0.015 58.086 58.200 -0.165 0.000 0.908 589 S CB 0.000 62.814 63.200 -0.643 0.000 0.883 589 S HN 0.659 nan 8.310 nan 0.000 0.577 590 R N 1.427 121.892 120.500 -0.059 0.000 2.052 590 R HA 0.240 4.581 4.340 0.002 0.000 0.224 590 R C 2.412 178.713 176.300 0.002 0.000 1.149 590 R CA 1.067 57.157 56.100 -0.015 0.000 0.962 590 R CB -1.141 29.142 30.300 -0.029 0.000 0.856 590 R HN 0.411 nan 8.270 nan 0.000 0.433 591 K N 0.579 120.975 120.400 -0.007 0.000 2.044 591 K HA -0.173 4.148 4.320 0.002 0.000 0.210 591 K C 2.019 178.627 176.600 0.014 0.000 1.049 591 K CA 1.473 57.761 56.287 0.001 0.000 0.927 591 K CB 0.082 32.580 32.500 -0.004 0.000 0.713 591 K HN 0.099 nan 8.250 nan 0.000 0.443 592 E N 0.240 120.454 120.200 0.023 0.000 2.065 592 E HA 0.004 4.355 4.350 0.002 0.000 0.191 592 E C 2.124 178.755 176.600 0.052 0.000 0.960 592 E CA 0.408 56.831 56.400 0.039 0.000 0.824 592 E CB -0.076 29.650 29.700 0.043 0.000 0.793 592 E HN 0.134 nan 8.360 nan 0.000 0.459 593 I N 1.452 122.067 120.570 0.074 0.000 2.208 593 I HA -0.215 3.956 4.170 0.002 0.000 0.245 593 I C 2.435 178.593 176.117 0.068 0.000 1.097 593 I CA 0.986 62.344 61.300 0.097 0.000 1.363 593 I CB -0.856 37.250 38.000 0.177 0.000 1.051 593 I HN -0.069 nan 8.210 nan 0.000 0.413 594 V N 0.848 120.795 119.914 0.055 0.000 2.427 594 V HA -0.251 3.870 4.120 0.002 0.000 0.248 594 V C 2.164 178.246 176.094 -0.020 0.000 1.051 594 V CA 2.112 64.428 62.300 0.026 0.000 1.048 594 V CB -0.676 31.163 31.823 0.026 0.000 0.666 594 V HN 0.372 nan 8.190 nan 0.000 0.456 595 D N -0.142 120.244 120.400 -0.022 0.000 2.249 595 D HA -0.074 4.568 4.640 0.002 0.000 0.205 595 D C 2.242 178.465 176.300 -0.128 0.000 0.962 595 D CA 0.705 54.662 54.000 -0.071 0.000 0.860 595 D CB -0.035 40.754 40.800 -0.018 0.000 0.955 595 D HN 0.272 nan 8.370 nan 0.000 0.505 596 R N -0.496 119.994 120.500 -0.018 0.000 2.299 596 R HA 0.117 4.459 4.340 0.002 0.000 0.197 596 R C 1.448 177.758 176.300 0.017 0.000 0.971 596 R CA 0.068 56.204 56.100 0.060 0.000 1.030 596 R CB 0.155 30.515 30.300 0.102 0.000 0.932 596 R HN 0.207 nan 8.270 nan 0.000 0.477 597 L N 0.401 121.594 121.223 -0.051 0.000 2.354 597 L HA 0.026 4.367 4.340 0.002 0.000 0.212 597 L C 1.394 178.198 176.870 -0.109 0.000 1.091 597 L CA 1.269 56.088 54.840 -0.035 0.000 0.828 597 L CB 0.203 42.260 42.059 -0.003 0.000 0.973 597 L HN 0.018 nan 8.230 nan 0.000 0.461 598 Q N -1.016 118.631 119.800 -0.256 0.000 2.518 598 Q HA -0.102 4.239 4.340 0.002 0.000 0.217 598 Q C 0.530 176.304 176.000 -0.378 0.000 0.974 598 Q CA 0.674 56.299 55.803 -0.297 0.000 0.971 598 Q CB -0.100 28.461 28.738 -0.294 0.000 0.988 598 Q HN 0.723 nan 8.270 nan 0.000 0.536 599 H N -2.838 116.245 119.070 0.022 0.000 2.926 599 H HA 0.151 4.708 4.556 0.002 0.000 0.249 599 H C 0.275 175.614 175.328 0.019 0.000 0.963 599 H CA -0.314 55.746 56.048 0.019 0.000 1.158 599 H CB 1.026 30.799 29.762 0.018 0.000 1.445 599 H HN -0.076 nan 8.280 nan 0.000 0.452 657 V N 0.838 120.780 119.914 0.048 0.000 3.216 657 V HA 0.584 4.705 4.120 0.002 0.000 0.273 657 V C -2.786 173.331 176.094 0.038 0.000 1.664 657 V CA -0.822 61.504 62.300 0.043 0.000 1.021 657 V CB 1.985 33.833 31.823 0.042 0.000 1.250 657 V HN 0.736 nan 8.190 nan 0.000 0.463 658 P HA 0.444 nan 4.420 nan 0.000 0.272 658 P C -0.679 176.639 177.300 0.031 0.000 1.230 658 P CA -0.252 62.866 63.100 0.029 0.000 0.788 658 P CB 0.279 31.992 31.700 0.022 0.000 0.949 659 C N 0.890 120.207 119.300 0.028 0.000 2.480 659 C HA 0.283 4.745 4.460 0.002 0.000 0.358 659 C C 1.308 176.307 174.990 0.015 0.000 1.309 659 C CA 0.195 59.229 59.018 0.027 0.000 2.465 659 C CB 0.180 27.936 27.740 0.026 0.000 2.379 659 C HN 0.808 nan 8.230 nan 0.000 0.642 660 D N -1.326 119.080 120.400 0.010 0.000 2.490 660 D HA 0.090 4.732 4.640 0.002 0.000 0.246 660 D C -0.218 176.072 176.300 -0.017 0.000 1.196 660 D CA 0.136 54.135 54.000 -0.002 0.000 0.812 660 D CB -0.458 40.343 40.800 0.002 0.000 1.191 660 D HN 0.403 nan 8.370 nan 0.000 0.531 661 V N -0.554 119.348 119.914 -0.021 0.000 2.448 661 V HA 0.786 4.908 4.120 0.002 0.000 0.295 661 V C -0.346 175.704 176.094 -0.074 0.000 1.025 661 V CA -0.773 61.500 62.300 -0.046 0.000 0.859 661 V CB 1.619 33.415 31.823 -0.045 0.000 0.988 661 V HN 0.044 nan 8.190 nan 0.000 0.431 662 S N 6.902 122.545 115.700 -0.094 0.000 2.422 662 S HA 0.674 5.145 4.470 0.002 0.000 0.298 662 S C -2.105 172.376 174.600 -0.198 0.000 1.118 662 S CA -0.656 57.468 58.200 -0.127 0.000 1.083 662 S CB 0.732 63.873 63.200 -0.098 0.000 0.971 662 S HN 0.938 nan 8.310 nan 0.000 0.478 663 P HA 0.454 nan 4.420 nan 0.000 0.290 663 P C -0.413 176.653 177.300 -0.390 0.000 1.275 663 P CA -0.982 61.815 63.100 -0.505 0.000 0.841 663 P CB 0.525 31.511 31.700 -1.190 0.000 1.042 664 I N 0.628 121.011 120.570 -0.311 0.000 2.471 664 I HA 0.225 4.396 4.170 0.002 0.000 0.294 664 I C 0.471 176.466 176.117 -0.205 0.000 1.123 664 I CA -0.859 60.307 61.300 -0.223 0.000 1.336 664 I CB -0.282 37.600 38.000 -0.196 0.000 1.430 664 I HN 0.016 nan 8.210 nan 0.000 0.533 665 V N 4.728 124.544 119.914 -0.164 0.000 2.644 665 V HA 0.744 4.865 4.120 0.002 0.000 0.295 665 V C 0.062 176.110 176.094 -0.077 0.000 1.053 665 V CA -0.481 61.774 62.300 -0.075 0.000 0.987 665 V CB 1.622 33.421 31.823 -0.041 0.000 1.006 665 V HN 0.579 nan 8.190 nan 0.000 0.472 666 V N 2.843 122.719 119.914 -0.063 0.000 2.932 666 V HA 0.518 4.639 4.120 0.002 0.000 0.307 666 V C 0.288 176.299 176.094 -0.137 0.000 1.147 666 V CA 0.025 62.258 62.300 -0.112 0.000 0.951 666 V CB 2.623 34.372 31.823 -0.123 0.000 1.031 666 V HN 1.277 nan 8.190 nan 0.000 0.426 667 T N 0.187 114.595 114.554 -0.244 0.000 2.898 667 T HA 0.144 4.495 4.350 0.002 0.000 0.301 667 T C 1.371 175.858 174.700 -0.355 0.000 1.049 667 T CA 0.258 62.160 62.100 -0.330 0.000 1.095 667 T CB 1.114 69.615 68.868 -0.612 0.000 0.976 667 T HN 1.004 nan 8.240 nan 0.000 0.539 668 S N 1.172 116.772 115.700 -0.167 0.000 2.469 668 S HA -0.153 4.319 4.470 0.002 0.000 0.238 668 S C 1.524 176.119 174.600 -0.009 0.000 0.998 668 S CA 0.765 58.936 58.200 -0.047 0.000 0.957 668 S CB -1.071 62.156 63.200 0.045 0.000 0.764 668 S HN 0.969 nan 8.310 nan 0.000 0.514 669 Y N 0.792 121.101 120.300 0.015 0.000 2.478 669 Y HA 0.517 5.068 4.550 0.002 0.000 0.261 669 Y C 0.483 176.392 175.900 0.015 0.000 1.127 669 Y CA -0.730 57.379 58.100 0.015 0.000 1.288 669 Y CB -0.718 37.749 38.460 0.010 0.000 1.084 669 Y HN 0.040 nan 8.280 nan 0.000 0.530 670 S N 2.974 118.454 115.700 -0.366 0.000 2.546 670 S HA 0.279 4.751 4.470 0.002 0.000 0.290 670 S C 0.019 174.597 174.600 -0.037 0.000 1.290 670 S CA -0.462 57.630 58.200 -0.180 0.000 1.069 670 S CB 0.196 63.249 63.200 -0.245 0.000 0.846 670 S HN 0.427 nan 8.310 nan 0.000 0.495 671 L N 1.712 122.947 121.223 0.020 0.000 2.416 671 L HA 0.559 4.901 4.340 0.002 0.000 0.263 671 L C 1.423 178.329 176.870 0.060 0.000 1.065 671 L CA -0.802 54.066 54.840 0.046 0.000 0.798 671 L CB -0.275 41.820 42.059 0.060 0.000 1.267 671 L HN 0.324 nan 8.230 nan 0.000 0.467 672 V N 0.273 120.233 119.914 0.076 0.000 2.332 672 V HA -0.258 3.863 4.120 0.002 0.000 0.248 672 V C 2.836 179.017 176.094 0.145 0.000 1.055 672 V CA 2.444 64.810 62.300 0.111 0.000 1.038 672 V CB -1.119 30.758 31.823 0.090 0.000 0.651 672 V HN 1.013 nan 8.190 nan 0.000 0.450 673 R N 1.582 122.149 120.500 0.111 0.000 2.226 673 R HA -0.257 4.084 4.340 0.002 0.000 0.246 673 R C 1.917 178.305 176.300 0.148 0.000 1.161 673 R CA 2.177 58.352 56.100 0.126 0.000 0.997 673 R CB -0.384 29.960 30.300 0.073 0.000 0.870 673 R HN 0.779 nan 8.270 nan 0.000 0.465 674 Q N -0.186 119.687 119.800 0.121 0.000 2.353 674 Q HA 0.127 4.469 4.340 0.002 0.000 0.240 674 Q C 2.069 178.148 176.000 0.132 0.000 0.868 674 Q CA -0.103 55.769 55.803 0.115 0.000 0.944 674 Q CB 0.033 28.794 28.738 0.038 0.000 1.104 674 Q HN 0.341 nan 8.270 nan 0.000 0.531 675 L N 0.883 122.175 121.223 0.116 0.000 2.056 675 L HA -0.147 4.194 4.340 0.002 0.000 0.207 675 L C 2.712 179.704 176.870 0.202 0.000 1.078 675 L CA 1.609 56.492 54.840 0.070 0.000 0.749 675 L CB -0.717 41.411 42.059 0.116 0.000 0.901 675 L HN 0.476 nan 8.230 nan 0.000 0.433 676 H N -0.715 118.493 119.070 0.231 0.000 2.421 676 H HA -0.255 4.302 4.556 0.002 0.000 0.298 676 H C 2.199 177.682 175.328 0.258 0.000 1.087 676 H CA 1.736 57.962 56.048 0.296 0.000 1.330 676 H CB 0.151 30.042 29.762 0.216 0.000 1.388 676 H HN 0.277 nan 8.280 nan 0.000 0.526 677 F N 1.160 121.124 119.950 0.024 0.000 2.163 677 F HA -0.102 4.426 4.527 0.002 0.000 0.297 677 F C 2.200 177.957 175.800 -0.071 0.000 1.094 677 F CA 0.817 58.783 58.000 -0.056 0.000 1.290 677 F CB -0.433 38.554 39.000 -0.021 0.000 1.017 677 F HN 0.041 nan 8.300 nan 0.000 0.483 678 L N -1.119 120.046 121.223 -0.098 0.000 2.141 678 L HA -0.208 4.134 4.340 0.002 0.000 0.209 678 L C 2.392 179.092 176.870 -0.284 0.000 1.094 678 L CA 1.237 55.921 54.840 -0.261 0.000 0.763 678 L CB -0.862 41.041 42.059 -0.259 0.000 0.908 678 L HN 0.137 nan 8.230 nan 0.000 0.437 679 F N -0.870 118.988 119.950 -0.153 0.000 2.234 679 F HA -0.176 4.352 4.527 0.002 0.000 0.299 679 F C 2.262 177.928 175.800 -0.224 0.000 1.087 679 F CA 0.631 58.536 58.000 -0.158 0.000 1.340 679 F CB 0.032 38.983 39.000 -0.081 0.000 1.031 679 F HN -0.175 nan 8.300 nan 0.000 0.500 680 V N -0.742 119.098 119.914 -0.124 0.000 2.500 680 V HA -0.204 3.917 4.120 0.002 0.000 0.243 680 V C 2.126 178.186 176.094 -0.057 0.000 1.039 680 V CA 1.104 63.309 62.300 -0.158 0.000 1.053 680 V CB -0.266 31.415 31.823 -0.237 0.000 0.695 680 V HN 0.202 nan 8.190 nan 0.000 0.463 681 M N -0.483 118.961 119.600 -0.260 0.000 2.171 681 M HA 0.049 4.531 4.480 0.002 0.000 0.260 681 M C 2.208 178.446 176.300 -0.103 0.000 1.087 681 M CA 1.811 56.978 55.300 -0.222 0.000 1.154 681 M CB -0.835 31.321 32.600 -0.739 0.000 1.331 681 M HN 0.229 nan 8.290 nan 0.000 0.431 682 L N -0.899 120.213 121.223 -0.184 0.000 2.240 682 L HA 0.016 4.358 4.340 0.002 0.000 0.211 682 L C 1.329 178.159 176.870 -0.067 0.000 1.106 682 L CA 0.096 54.863 54.840 -0.122 0.000 0.793 682 L CB -0.237 41.727 42.059 -0.159 0.000 0.927 682 L HN 0.421 nan 8.230 nan 0.000 0.446 683 M N -0.528 119.040 119.600 -0.053 0.000 2.537 683 M HA -0.132 4.350 4.480 0.002 0.000 0.205 683 M C -2.109 174.174 176.300 -0.028 0.000 0.450 683 M CA -0.234 55.043 55.300 -0.039 0.000 0.553 683 M CB -1.088 31.480 32.600 -0.055 0.000 2.046 683 M HN 0.049 nan 8.290 nan 0.000 0.797 684 P HA 0.313 nan 4.420 nan 0.000 0.279 684 P C 0.315 177.681 177.300 0.110 0.000 1.276 684 P CA 0.296 63.410 63.100 0.022 0.000 0.801 684 P CB 1.115 32.796 31.700 -0.033 0.000 1.127 685 S N -0.766 114.984 115.700 0.084 0.000 2.470 685 S HA 0.176 4.648 4.470 0.002 0.000 0.222 685 S C 0.770 175.495 174.600 0.209 0.000 1.024 685 S CA 0.095 58.352 58.200 0.095 0.000 0.931 685 S CB -0.273 62.955 63.200 0.046 0.000 0.791 685 S HN 0.430 nan 8.310 nan 0.000 0.513 686 M N 0.906 120.634 119.600 0.214 0.000 2.470 686 M HA 0.534 5.015 4.480 0.002 0.000 0.285 686 M C -1.841 174.559 176.300 0.167 0.000 1.213 686 M CA -0.394 55.049 55.300 0.239 0.000 0.901 686 M CB 2.713 35.449 32.600 0.227 0.000 1.718 686 M HN 0.068 nan 8.290 nan 0.000 0.469 687 I N 1.783 122.448 120.570 0.158 0.000 2.466 687 I HA 0.408 4.580 4.170 0.002 0.000 0.289 687 I C -1.173 175.090 176.117 0.245 0.000 1.026 687 I CA -0.695 60.641 61.300 0.060 0.000 1.078 687 I CB 1.736 39.621 38.000 -0.191 0.000 1.249 687 I HN 0.625 nan 8.210 nan 0.000 0.429 688 Y N 4.621 124.880 120.300 -0.069 0.000 2.309 688 Y HA 0.412 4.964 4.550 0.002 0.000 0.327 688 Y C 0.180 176.045 175.900 -0.059 0.000 1.172 688 Y CA -1.143 56.928 58.100 -0.048 0.000 1.280 688 Y CB 1.605 40.042 38.460 -0.038 0.000 1.234 688 Y HN 0.183 nan 8.280 nan 0.000 0.512 689 V N 2.684 122.645 119.914 0.079 0.000 2.370 689 V HA 0.198 4.319 4.120 0.002 0.000 0.283 689 V C -0.079 176.030 176.094 0.025 0.000 1.023 689 V CA -0.696 61.617 62.300 0.021 0.000 0.857 689 V CB 1.484 33.305 31.823 -0.004 0.000 0.985 689 V HN 0.763 nan 8.190 nan 0.000 0.443 690 T N 4.362 118.921 114.554 0.007 0.000 2.744 690 T HA 0.387 4.738 4.350 0.002 0.000 0.291 690 T C -0.286 174.427 174.700 0.021 0.000 0.957 690 T CA -0.151 61.959 62.100 0.018 0.000 1.002 690 T CB 0.879 69.748 68.868 0.002 0.000 0.919 690 T HN 0.792 nan 8.240 nan 0.000 0.468 691 E N 3.162 123.390 120.200 0.047 0.000 2.141 691 E HA 0.365 4.716 4.350 0.002 0.000 0.259 691 E C 0.187 176.830 176.600 0.072 0.000 0.883 691 E CA -0.639 55.800 56.400 0.065 0.000 0.744 691 E CB 0.249 29.988 29.700 0.064 0.000 1.150 691 E HN 0.539 nan 8.360 nan 0.000 0.420 692 R N 3.278 123.817 120.500 0.065 0.000 3.758 692 R HA -0.288 4.054 4.340 0.002 0.000 0.299 692 R C 0.859 177.149 176.300 -0.017 0.000 1.182 692 R CA 0.799 56.923 56.100 0.041 0.000 0.809 692 R CB -1.931 28.406 30.300 0.061 0.000 1.249 692 R HN 1.006 nan 8.270 nan 0.000 0.497 693 G N -0.114 108.665 108.800 -0.035 0.000 2.308 693 G HA2 -0.361 3.600 3.960 0.002 0.000 0.221 693 G HA3 -0.361 3.600 3.960 0.002 0.000 0.221 693 G C 0.100 175.000 174.900 -0.001 0.000 1.032 693 G CA 0.346 45.358 45.100 -0.146 0.000 0.623 693 G HN 0.335 nan 8.290 nan 0.000 0.506 694 K N 1.166 121.679 120.400 0.188 0.000 2.326 694 K HA 0.482 4.804 4.320 0.002 0.000 0.275 694 K C 0.344 177.032 176.600 0.145 0.000 1.018 694 K CA -0.690 55.786 56.287 0.316 0.000 0.962 694 K CB 0.493 33.155 32.500 0.269 0.000 0.953 694 K HN 0.261 nan 8.250 nan 0.000 0.475 695 L N 5.551 126.842 121.223 0.113 0.000 2.485 695 L HA 0.078 4.419 4.340 0.002 0.000 0.279 695 L C -0.994 175.873 176.870 -0.005 0.000 1.124 695 L CA -0.328 54.535 54.840 0.038 0.000 0.888 695 L CB 0.448 42.505 42.059 -0.003 0.000 1.217 695 L HN 0.370 nan 8.230 nan 0.000 0.464 696 V N 5.090 125.007 119.914 0.005 0.000 2.266 696 V HA 0.616 4.737 4.120 0.002 0.000 0.266 696 V C 0.377 176.464 176.094 -0.011 0.000 1.036 696 V CA -0.085 62.214 62.300 -0.002 0.000 0.828 696 V CB 0.418 32.256 31.823 0.024 0.000 1.081 696 V HN 1.015 nan 8.190 nan 0.000 0.449 697 G N 4.557 113.334 108.800 -0.038 0.000 2.907 697 G HA2 -0.055 3.906 3.960 0.002 0.000 0.686 697 G HA3 -0.055 3.906 3.960 0.002 0.000 0.686 697 G C -1.030 173.824 174.900 -0.076 0.000 1.115 697 G CA -0.985 44.096 45.100 -0.033 0.000 0.760 697 G HN 0.355 nan 8.290 nan 0.000 0.620 698 I N 1.428 121.948 120.570 -0.083 0.000 2.437 698 I HA 0.601 4.772 4.170 0.002 0.000 0.298 698 I C 0.567 176.622 176.117 -0.103 0.000 0.984 698 I CA -0.971 60.268 61.300 -0.102 0.000 1.214 698 I CB 1.501 39.434 38.000 -0.111 0.000 1.365 698 I HN 0.522 nan 8.210 nan 0.000 0.469 699 V N 6.272 126.160 119.914 -0.043 0.000 2.334 699 V HA 0.282 4.403 4.120 0.002 0.000 0.281 699 V C 0.375 176.520 176.094 0.086 0.000 1.016 699 V CA -0.481 61.779 62.300 -0.065 0.000 0.832 699 V CB 1.076 32.915 31.823 0.027 0.000 0.999 699 V HN 0.686 nan 8.190 nan 0.000 0.439 700 E N 4.560 124.738 120.200 -0.036 0.000 2.408 700 E HA 0.053 4.404 4.350 0.002 0.000 0.259 700 E C 0.830 177.462 176.600 0.052 0.000 1.110 700 E CA -0.176 56.271 56.400 0.078 0.000 0.929 700 E CB 0.893 30.657 29.700 0.107 0.000 0.971 700 E HN 0.702 nan 8.360 nan 0.000 0.438 701 R N 1.428 121.883 120.500 -0.075 0.000 2.193 701 R HA -0.107 4.234 4.340 0.002 0.000 0.213 701 R C 0.888 177.005 176.300 -0.305 0.000 1.055 701 R CA 0.995 56.728 56.100 -0.611 0.000 0.995 701 R CB 0.185 30.215 30.300 -0.451 0.000 0.893 701 R HN 0.326 nan 8.270 nan 0.000 0.459 702 E N 0.706 120.876 120.200 -0.051 0.000 2.418 702 E HA -0.102 4.250 4.350 0.002 0.000 0.197 702 E C 0.576 177.178 176.600 0.003 0.000 1.026 702 E CA 0.839 57.247 56.400 0.014 0.000 0.862 702 E CB 0.091 29.825 29.700 0.057 0.000 0.799 702 E HN 0.355 nan 8.360 nan 0.000 0.518 703 D N -1.253 119.138 120.400 -0.015 0.000 2.349 703 D HA 0.026 4.668 4.640 0.002 0.000 0.215 703 D C 1.047 177.365 176.300 0.031 0.000 1.016 703 D CA 0.307 54.323 54.000 0.027 0.000 0.870 703 D CB 0.806 41.603 40.800 -0.005 0.000 0.917 703 D HN 0.061 nan 8.370 nan 0.000 0.524 704 V N -0.167 119.738 119.914 -0.014 0.000 3.141 704 V HA 0.263 4.385 4.120 0.002 0.000 0.225 704 V C 0.709 176.827 176.094 0.041 0.000 1.352 704 V CA 0.151 62.477 62.300 0.043 0.000 1.316 704 V CB 0.268 32.198 31.823 0.178 0.000 1.126 704 V HN 0.087 nan 8.190 nan 0.000 0.493 705 A N -0.141 122.691 122.820 0.019 0.000 2.462 705 A HA 0.289 4.610 4.320 0.002 0.000 0.243 705 A C -0.171 177.483 177.584 0.116 0.000 1.076 705 A CA 0.151 52.269 52.037 0.135 0.000 0.773 705 A CB -0.454 18.678 19.000 0.219 0.000 1.010 705 A HN 0.540 nan 8.150 nan 0.000 0.493 706 Y N 2.588 122.923 120.300 0.059 0.000 2.525 706 Y HA 0.364 4.916 4.550 0.003 0.000 0.337 706 Y C 0.818 176.719 175.900 0.003 0.000 1.248 706 Y CA 0.166 58.289 58.100 0.039 0.000 1.882 706 Y CB -0.483 38.020 38.460 0.072 0.000 1.811 706 Y HN 0.571 nan 8.280 nan 0.000 0.434 707 G N 2.912 111.495 108.800 -0.362 0.000 2.437 707 G HA2 0.337 4.299 3.960 0.002 0.000 0.315 707 G HA3 0.337 4.299 3.960 0.002 0.000 0.315 707 G C 0.250 174.885 174.900 -0.441 0.000 1.210 707 G CA 0.031 44.867 45.100 -0.441 0.000 0.943 707 G HN 0.771 nan 8.290 nan 0.000 0.471 708 Y N 0.508 120.528 120.300 -0.467 0.000 2.200 708 Y HA 0.227 4.778 4.550 0.002 0.000 0.290 708 Y C 2.544 178.324 175.900 -0.199 0.000 1.137 708 Y CA 1.867 59.782 58.100 -0.308 0.000 1.163 708 Y CB -0.946 nan 38.460 nan 0.000 0.988 708 Y HN 2.019 nan 8.280 nan 0.000 0.518 709 S N -1.325 114.248 115.700 -0.211 0.000 4.151 709 S HA 0.146 4.617 4.470 0.002 0.000 0.622 709 S C 1.816 176.360 174.600 -0.093 0.000 1.877 709 S CA 3.228 61.341 58.200 -0.146 0.000 4.244 709 S CB -2.281 nan 63.200 nan 0.000 0.203 709 S HN 2.930 nan 8.310 nan 0.000 0.468 710 N N 0.000 118.663 118.700 -0.062 0.000 1.763 710 N HA 0.000 4.741 4.740 0.002 0.000 0.220 710 N CA 0.000 53.026 53.050 -0.039 0.000 0.885 710 N CB 0.000 nan 38.487 nan 0.000 1.341 710 N HN 0.000 nan 8.380 nan 0.000 0.667