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 1suv_1_B DATA FIRST_RESID 122 DATA SEQUENCE LYWDDLKRKL SEKLDSTDFT STIKLLNENS YVPREAGSQK DENLALYVEN DATA SEQUENCE EFREFKLSKV WRDQHFVKIQ VKDSAQNSVI IVDKNGRLVY LVENPGGYVA DATA SEQUENCE YSKAATVTGK LVHANFGTKK DFEDLYTPVN GSIVIVRAGK ITFAEKVANA DATA SEQUENCE ESLNAIGVLI YMDQTKFPIV NAELSFFGHA HLGTGDPYTP GFPSFNHTQF DATA SEQUENCE PPSRSSGLPN IPVQTISRAA AEKLFGNMEG DcPSDWKTDS TcRMVTSESK DATA SEQUENCE NVKLTVSNVL KEIKILNIFG VIKGFVEPDH YVVVGAQRDA WGPGAAKSGV DATA SEQUENCE GTALLLKLAQ MFSDMVLKDG FQPSRSIIFA SWSAGDFGSV GATEWLEGYL DATA SEQUENCE SSLHLKAFTY INLDKAVLGT SNFKVSASPL LYTLIEKTMQ NVKHPVTGQF DATA SEQUENCE LYQDSNWASK VEKLTLDNAA FPFLAYSGIP AVSFCFCEDT DYPYLGTTMD DATA SEQUENCE TYKELIERIP ELNKVARAAA EVAGQFVIKL THDVELNLDY EEYNSQLLSF DATA SEQUENCE VRDLNQYRAD IKEMGLSLQW LYSARGDFFR ATSRLTTDFG NAEKTDRFVM DATA SEQUENCE KKLNDRVMRV EYHFLSPYVS PKESPFRHVF WGSGSHTLPA LLENLKLRKQ DATA SEQUENCE NNGAFNETLF RNQLALATWT IQGAANALSG DVWDIDNEF 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 122 L HA 0.000 nan 4.340 nan 0.000 0.249 122 L C 0.000 176.710 176.870 -0.267 0.000 1.165 122 L CA 0.000 54.744 54.840 -0.160 0.000 0.813 122 L CB 0.000 42.019 42.059 -0.067 0.000 0.961 123 Y N -0.535 119.748 120.300 -0.029 0.000 2.488 123 Y HA 0.192 4.628 4.550 -0.191 0.000 0.325 123 Y C 1.010 176.819 175.900 -0.151 0.000 1.204 123 Y CA 0.010 58.090 58.100 -0.033 0.000 1.229 123 Y CB 1.214 39.695 38.460 0.035 0.000 1.274 123 Y HN 0.729 nan 8.280 nan 0.000 0.493 124 W N 2.057 123.240 121.300 -0.195 0.000 2.290 124 W HA -0.344 4.201 4.660 -0.192 0.000 0.323 124 W C 1.103 177.553 176.519 -0.115 0.000 1.260 124 W CA 2.624 59.814 57.345 -0.258 0.000 1.266 124 W CB -0.284 29.115 29.460 -0.102 0.000 1.149 124 W HN 0.916 nan 8.180 nan 0.000 0.482 125 D N 0.528 120.797 120.400 -0.219 0.000 2.133 125 D HA -0.295 4.230 4.640 -0.192 0.000 0.192 125 D C 1.590 177.677 176.300 -0.355 0.000 1.001 125 D CA 2.239 56.040 54.000 -0.332 0.000 0.844 125 D CB -1.230 39.512 40.800 -0.097 0.000 0.944 125 D HN 0.140 nan 8.370 nan 0.000 0.447 126 D N 0.270 120.544 120.400 -0.209 0.000 2.103 126 D HA -0.129 4.396 4.640 -0.192 0.000 0.190 126 D C 2.276 178.387 176.300 -0.314 0.000 0.997 126 D CA 0.779 54.664 54.000 -0.192 0.000 0.833 126 D CB -0.252 40.493 40.800 -0.093 0.000 0.961 126 D HN 0.151 nan 8.370 nan 0.000 0.447 127 L N 1.101 122.085 121.223 -0.399 0.000 2.042 127 L HA -0.153 4.072 4.340 -0.192 0.000 0.210 127 L C 2.378 178.876 176.870 -0.620 0.000 1.076 127 L CA 1.332 55.868 54.840 -0.507 0.000 0.749 127 L CB -1.068 40.679 42.059 -0.520 0.000 0.893 127 L HN 0.105 nan 8.230 nan 0.000 0.432 128 K N 0.087 119.933 120.400 -0.924 0.000 2.002 128 K HA -0.196 4.009 4.320 -0.192 0.000 0.209 128 K C 2.308 178.613 176.600 -0.491 0.000 1.048 128 K CA 1.300 57.031 56.287 -0.926 0.000 0.930 128 K CB 0.048 31.791 32.500 -1.262 0.000 0.714 128 K HN 0.119 nan 8.250 nan 0.000 0.438 129 R N 0.550 120.807 120.500 -0.404 0.000 2.073 129 R HA -0.166 4.059 4.340 -0.192 0.000 0.234 129 R C 2.350 178.513 176.300 -0.229 0.000 1.134 129 R CA 1.768 57.714 56.100 -0.257 0.000 0.952 129 R CB -0.141 30.038 30.300 -0.201 0.000 0.850 129 R HN -0.014 nan 8.270 nan 0.000 0.433 130 K N 0.917 121.167 120.400 -0.250 0.000 1.978 130 K HA -0.170 4.035 4.320 -0.192 0.000 0.214 130 K C 1.874 178.335 176.600 -0.232 0.000 1.049 130 K CA 1.433 57.590 56.287 -0.217 0.000 0.939 130 K CB -0.797 31.567 32.500 -0.225 0.000 0.721 130 K HN 0.074 nan 8.250 nan 0.000 0.441 131 L N 0.697 121.744 121.223 -0.293 0.000 2.151 131 L HA -0.226 3.999 4.340 -0.192 0.000 0.215 131 L C 2.194 178.943 176.870 -0.202 0.000 1.084 131 L CA 2.250 56.920 54.840 -0.283 0.000 0.764 131 L CB -1.065 40.815 42.059 -0.299 0.000 0.891 131 L HN 0.363 nan 8.230 nan 0.000 0.435 132 S N -0.527 115.057 115.700 -0.193 0.000 2.335 132 S HA -0.211 4.144 4.470 -0.192 0.000 0.217 132 S C 1.910 176.427 174.600 -0.138 0.000 1.032 132 S CA 1.077 59.187 58.200 -0.151 0.000 0.985 132 S CB -0.400 62.711 63.200 -0.150 0.000 0.896 132 S HN 0.795 nan 8.310 nan 0.000 0.445 133 E N 0.671 120.788 120.200 -0.137 0.000 2.118 133 E HA -0.196 4.039 4.350 -0.192 0.000 0.195 133 E C 1.840 178.367 176.600 -0.122 0.000 0.992 133 E CA 1.065 57.394 56.400 -0.120 0.000 0.804 133 E CB -0.252 29.383 29.700 -0.108 0.000 0.741 133 E HN 0.334 nan 8.360 nan 0.000 0.458 134 K N 0.524 120.844 120.400 -0.133 0.000 2.057 134 K HA -0.065 4.140 4.320 -0.192 0.000 0.207 134 K C 2.127 178.651 176.600 -0.126 0.000 1.049 134 K CA 0.638 56.849 56.287 -0.127 0.000 0.931 134 K CB -0.268 32.139 32.500 -0.154 0.000 0.714 134 K HN 0.238 nan 8.250 nan 0.000 0.440 135 L N 1.780 122.927 121.223 -0.126 0.000 2.291 135 L HA -0.109 4.116 4.340 -0.192 0.000 0.214 135 L C 1.358 178.109 176.870 -0.198 0.000 1.120 135 L CA 1.550 56.312 54.840 -0.129 0.000 0.799 135 L CB -0.942 41.075 42.059 -0.070 0.000 0.925 135 L HN 0.111 nan 8.230 nan 0.000 0.446 136 D N -0.750 119.554 120.400 -0.159 0.000 2.269 136 D HA -0.046 4.479 4.640 -0.192 0.000 0.208 136 D C 0.833 177.037 176.300 -0.160 0.000 0.963 136 D CA 0.612 54.520 54.000 -0.153 0.000 0.864 136 D CB 0.361 41.088 40.800 -0.120 0.000 0.936 136 D HN 0.093 nan 8.370 nan 0.000 0.505 137 S N -0.149 115.457 115.700 -0.157 0.000 2.256 137 S HA 0.234 4.589 4.470 -0.192 0.000 0.210 137 S C -0.267 174.242 174.600 -0.151 0.000 1.329 137 S CA -0.615 57.503 58.200 -0.136 0.000 1.267 137 S CB 0.717 63.860 63.200 -0.094 0.000 1.086 137 S HN 0.151 nan 8.310 nan 0.000 0.468 138 T N -1.385 113.020 114.554 -0.250 0.000 3.011 138 T HA 0.352 4.587 4.350 -0.192 0.000 0.303 138 T C -1.414 173.053 174.700 -0.389 0.000 0.997 138 T CA -0.755 61.187 62.100 -0.264 0.000 1.007 138 T CB 1.609 70.322 68.868 -0.259 0.000 1.017 138 T HN 0.031 nan 8.240 nan 0.000 0.443 139 D N 2.743 123.055 120.400 -0.147 0.000 2.402 139 D HA 0.243 4.768 4.640 -0.192 0.000 0.235 139 D C 0.238 176.598 176.300 0.101 0.000 1.226 139 D CA -0.562 53.393 54.000 -0.075 0.000 0.918 139 D CB 0.083 40.879 40.800 -0.006 0.000 1.043 139 D HN 0.624 nan 8.370 nan 0.000 0.506 140 F N 1.031 120.996 119.950 0.024 0.000 2.270 140 F HA -0.128 4.284 4.527 -0.192 0.000 0.295 140 F C 2.636 178.472 175.800 0.060 0.000 1.087 140 F CA 0.187 58.210 58.000 0.037 0.000 1.365 140 F CB 0.217 39.237 39.000 0.034 0.000 1.056 140 F HN 0.306 nan 8.300 nan 0.000 0.506 141 T N -0.603 114.106 114.554 0.258 0.000 2.759 141 T HA -0.179 4.056 4.350 -0.192 0.000 0.269 141 T C 2.142 176.916 174.700 0.123 0.000 1.042 141 T CA 1.917 64.164 62.100 0.245 0.000 1.140 141 T CB -0.280 68.725 68.868 0.228 0.000 0.864 141 T HN 0.149 nan 8.240 nan 0.000 0.455 142 S N 0.626 116.371 115.700 0.075 0.000 2.353 142 S HA -0.112 4.243 4.470 -0.192 0.000 0.222 142 S C 2.270 176.859 174.600 -0.019 0.000 1.035 142 S CA 1.926 60.125 58.200 -0.001 0.000 1.025 142 S CB -0.854 62.364 63.200 0.029 0.000 0.902 142 S HN 0.632 nan 8.310 nan 0.000 0.440 143 T N 2.485 117.078 114.554 0.064 0.000 2.833 143 T HA 0.068 4.303 4.350 -0.192 0.000 0.269 143 T C 1.662 176.381 174.700 0.031 0.000 1.054 143 T CA 0.876 63.019 62.100 0.071 0.000 1.135 143 T CB -0.382 68.559 68.868 0.122 0.000 0.869 143 T HN 0.330 nan 8.240 nan 0.000 0.466 144 I N 0.682 121.280 120.570 0.046 0.000 2.493 144 I HA -0.092 3.963 4.170 -0.192 0.000 0.254 144 I C 2.570 178.652 176.117 -0.059 0.000 1.160 144 I CA 1.042 62.385 61.300 0.073 0.000 1.445 144 I CB -0.265 37.871 38.000 0.227 0.000 1.086 144 I HN 0.181 nan 8.210 nan 0.000 0.433 145 K N 1.684 121.875 120.400 -0.348 0.000 2.044 145 K HA -0.115 4.090 4.320 -0.192 0.000 0.204 145 K C 2.303 178.767 176.600 -0.227 0.000 1.045 145 K CA 0.847 56.749 56.287 -0.642 0.000 0.951 145 K CB -0.100 31.868 32.500 -0.886 0.000 0.738 145 K HN 0.216 nan 8.250 nan 0.000 0.443 146 L N 1.696 122.842 121.223 -0.127 0.000 2.051 146 L HA -0.157 4.068 4.340 -0.192 0.000 0.214 146 L C 1.393 178.300 176.870 0.061 0.000 1.076 146 L CA 1.317 56.141 54.840 -0.027 0.000 0.758 146 L CB -0.136 41.922 42.059 -0.002 0.000 0.890 146 L HN 0.230 nan 8.230 nan 0.000 0.433 147 L N 0.676 121.907 121.223 0.013 0.000 2.873 147 L HA 0.016 4.241 4.340 -0.192 0.000 0.252 147 L C 0.983 177.905 176.870 0.087 0.000 1.266 147 L CA 0.068 54.910 54.840 0.004 0.000 1.111 147 L CB -0.732 41.300 42.059 -0.045 0.000 1.440 147 L HN 0.389 nan 8.230 nan 0.000 0.427 148 N N -0.768 117.995 118.700 0.106 0.000 2.008 148 N HA 0.048 4.673 4.740 -0.192 0.000 0.228 148 N C 0.168 175.714 175.510 0.059 0.000 1.375 148 N CA -0.026 53.077 53.050 0.089 0.000 0.856 148 N CB 1.130 39.657 38.487 0.067 0.000 1.096 148 N HN 0.383 nan 8.380 nan 0.000 0.489 149 E N 0.965 121.187 120.200 0.037 0.000 2.436 149 E HA -0.022 4.213 4.350 -0.192 0.000 0.262 149 E C 0.403 176.942 176.600 -0.101 0.000 1.063 149 E CA 0.108 56.473 56.400 -0.058 0.000 0.944 149 E CB 0.529 30.154 29.700 -0.126 0.000 0.950 149 E HN 0.088 nan 8.360 nan 0.000 0.444 150 N N 0.577 119.205 118.700 -0.119 0.000 2.513 150 N HA -0.127 4.498 4.740 -0.192 0.000 0.187 150 N C 1.071 176.452 175.510 -0.215 0.000 1.056 150 N CA 0.685 53.660 53.050 -0.124 0.000 0.907 150 N CB 0.085 38.510 38.487 -0.103 0.000 0.954 150 N HN 0.238 nan 8.380 nan 0.000 0.445 151 S N -0.455 115.002 115.700 -0.406 0.000 2.400 151 S HA -0.132 4.223 4.470 -0.192 0.000 0.232 151 S C -0.194 174.006 174.600 -0.666 0.000 1.025 151 S CA 1.122 58.907 58.200 -0.691 0.000 0.993 151 S CB -0.213 62.270 63.200 -1.194 0.000 0.808 151 S HN 0.552 nan 8.310 nan 0.000 0.478 152 Y N -1.306 118.950 120.300 -0.075 0.000 2.580 152 Y HA 0.597 5.033 4.550 -0.191 0.000 0.305 152 Y C 0.251 176.126 175.900 -0.042 0.000 1.069 152 Y CA -1.004 57.062 58.100 -0.055 0.000 1.193 152 Y CB -0.580 37.847 38.460 -0.054 0.000 1.126 152 Y HN -0.069 nan 8.280 nan 0.000 0.610 153 V N 1.105 121.063 119.914 0.073 0.000 2.502 153 V HA 0.372 4.377 4.120 -0.192 0.000 0.234 153 V C -1.926 174.175 176.094 0.011 0.000 1.072 153 V CA -0.309 62.019 62.300 0.047 0.000 1.094 153 V CB 0.289 32.116 31.823 0.007 0.000 0.761 153 V HN 0.254 nan 8.190 nan 0.000 0.489 154 P HA 0.214 nan 4.420 nan 0.000 0.225 154 P C -0.660 176.618 177.300 -0.038 0.000 1.813 154 P CA -0.184 62.868 63.100 -0.080 0.000 1.013 154 P CB -0.810 30.810 31.700 -0.132 0.000 1.961 155 R N 0.128 120.636 120.500 0.013 0.000 4.886 155 R HA 0.125 4.350 4.340 -0.192 0.000 0.181 155 R C 0.289 176.619 176.300 0.049 0.000 1.989 155 R CA -0.239 55.887 56.100 0.043 0.000 1.623 155 R CB -0.457 29.884 30.300 0.068 0.000 1.383 155 R HN 0.308 nan 8.270 nan 0.000 0.847 156 E N 1.335 121.552 120.200 0.028 0.000 2.447 156 E HA 0.070 4.305 4.350 -0.192 0.000 0.259 156 E C -0.326 176.342 176.600 0.114 0.000 1.196 156 E CA 0.068 56.513 56.400 0.075 0.000 0.995 156 E CB 0.568 30.302 29.700 0.056 0.000 0.974 156 E HN 0.602 nan 8.360 nan 0.000 0.465 157 A N 1.161 124.099 122.820 0.196 0.000 2.492 157 A HA 0.371 4.576 4.320 -0.192 0.000 0.254 157 A C 0.966 178.580 177.584 0.050 0.000 1.091 157 A CA 0.616 52.748 52.037 0.158 0.000 0.768 157 A CB -0.457 18.686 19.000 0.238 0.000 1.028 157 A HN 0.889 nan 8.150 nan 0.000 0.498 158 G N 2.135 110.952 108.800 0.029 0.000 2.225 158 G HA2 -0.171 3.674 3.960 -0.192 0.000 0.267 158 G HA3 -0.171 3.674 3.960 -0.192 0.000 0.267 158 G C 0.522 175.427 174.900 0.008 0.000 1.024 158 G CA 0.986 46.085 45.100 -0.002 0.000 0.784 158 G HN 2.059 nan 8.290 nan 0.000 0.507 159 S N -1.908 113.805 115.700 0.022 0.000 2.719 159 S HA 0.651 5.006 4.470 -0.192 0.000 0.285 159 S C 1.227 175.837 174.600 0.017 0.000 1.137 159 S CA 0.511 58.721 58.200 0.017 0.000 1.012 159 S CB 1.674 64.884 63.200 0.017 0.000 1.134 159 S HN 0.396 nan 8.310 nan 0.000 0.544 160 Q N 0.844 120.651 119.800 0.012 0.000 2.049 160 Q HA -0.009 4.216 4.340 -0.192 0.000 0.198 160 Q C 1.736 177.754 176.000 0.030 0.000 0.971 160 Q CA 1.693 57.504 55.803 0.014 0.000 0.833 160 Q CB -0.388 28.351 28.738 0.001 0.000 0.896 160 Q HN 0.650 nan 8.270 nan 0.000 0.434 161 K N 1.248 121.667 120.400 0.032 0.000 2.044 161 K HA -0.199 4.006 4.320 -0.192 0.000 0.210 161 K C 1.829 178.491 176.600 0.103 0.000 1.049 161 K CA 1.587 57.917 56.287 0.073 0.000 0.927 161 K CB -1.011 31.525 32.500 0.060 0.000 0.713 161 K HN 0.448 nan 8.250 nan 0.000 0.443 162 D N 1.352 121.791 120.400 0.064 0.000 2.137 162 D HA -0.244 4.281 4.640 -0.192 0.000 0.189 162 D C 1.804 178.128 176.300 0.039 0.000 0.998 162 D CA 1.588 55.618 54.000 0.049 0.000 0.839 162 D CB -0.085 40.741 40.800 0.043 0.000 0.962 162 D HN 0.357 nan 8.370 nan 0.000 0.446 163 E N -0.430 119.790 120.200 0.034 0.000 2.209 163 E HA -0.188 4.047 4.350 -0.192 0.000 0.196 163 E C 1.942 178.570 176.600 0.046 0.000 0.993 163 E CA 0.719 57.134 56.400 0.025 0.000 0.819 163 E CB 0.092 29.804 29.700 0.019 0.000 0.745 163 E HN 0.303 nan 8.360 nan 0.000 0.477 164 N N 0.550 119.304 118.700 0.089 0.000 2.062 164 N HA -0.162 4.463 4.740 -0.192 0.000 0.191 164 N C 1.892 177.516 175.510 0.191 0.000 1.042 164 N CA 0.756 53.902 53.050 0.160 0.000 0.845 164 N CB -0.504 38.117 38.487 0.223 0.000 1.024 164 N HN 0.168 nan 8.380 nan 0.000 0.424 165 L N 1.677 122.984 121.223 0.139 0.000 2.079 165 L HA -0.060 4.164 4.340 -0.192 0.000 0.210 165 L C 2.158 178.982 176.870 -0.078 0.000 1.081 165 L CA 1.475 56.235 54.840 -0.134 0.000 0.752 165 L CB -1.110 40.783 42.059 -0.277 0.000 0.896 165 L HN 0.141 nan 8.230 nan 0.000 0.433 166 A N -0.234 122.550 122.820 -0.059 0.000 1.873 166 A HA -0.234 3.971 4.320 -0.192 0.000 0.218 166 A C 2.242 179.760 177.584 -0.110 0.000 1.193 166 A CA 2.305 54.282 52.037 -0.101 0.000 0.629 166 A CB -1.046 17.919 19.000 -0.059 0.000 0.826 166 A HN 0.517 nan 8.150 nan 0.000 0.447 167 L N -2.046 119.156 121.223 -0.034 0.000 2.201 167 L HA -0.159 4.066 4.340 -0.192 0.000 0.212 167 L C 2.585 179.441 176.870 -0.024 0.000 1.105 167 L CA 1.408 56.233 54.840 -0.025 0.000 0.775 167 L CB -0.709 41.364 42.059 0.022 0.000 0.913 167 L HN 0.603 nan 8.230 nan 0.000 0.440 168 Y N 1.005 121.218 120.300 -0.145 0.000 2.133 168 Y HA -0.190 4.246 4.550 -0.191 0.000 0.287 168 Y C 2.410 178.129 175.900 -0.301 0.000 1.134 168 Y CA 1.402 59.395 58.100 -0.179 0.000 1.133 168 Y CB -0.587 37.751 38.460 -0.204 0.000 0.987 168 Y HN -0.165 nan 8.280 nan 0.000 0.502 169 V N 1.028 120.615 119.914 -0.545 0.000 2.287 169 V HA -0.333 3.672 4.120 -0.192 0.000 0.248 169 V C 2.427 177.979 176.094 -0.903 0.000 1.053 169 V CA 2.323 64.099 62.300 -0.874 0.000 1.027 169 V CB -0.879 30.483 31.823 -0.767 0.000 0.646 169 V HN 0.488 nan 8.190 nan 0.000 0.447 170 E N 0.246 120.129 120.200 -0.527 0.000 2.070 170 E HA -0.314 3.920 4.350 -0.192 0.000 0.197 170 E C 2.244 178.712 176.600 -0.220 0.000 1.004 170 E CA 1.822 58.044 56.400 -0.297 0.000 0.805 170 E CB -0.219 29.399 29.700 -0.137 0.000 0.744 170 E HN 0.614 nan 8.360 nan 0.000 0.451 171 N N 0.017 118.575 118.700 -0.236 0.000 2.106 171 N HA -0.158 4.467 4.740 -0.192 0.000 0.188 171 N C 1.732 177.047 175.510 -0.325 0.000 1.029 171 N CA 0.966 53.903 53.050 -0.187 0.000 0.848 171 N CB -0.023 38.397 38.487 -0.113 0.000 1.007 171 N HN 0.174 nan 8.380 nan 0.000 0.423 172 E N 0.626 120.483 120.200 -0.571 0.000 2.086 172 E HA -0.195 4.040 4.350 -0.192 0.000 0.200 172 E C 2.015 178.070 176.600 -0.909 0.000 1.012 172 E CA 0.899 56.755 56.400 -0.907 0.000 0.812 172 E CB -0.675 28.377 29.700 -1.081 0.000 0.743 172 E HN 0.508 nan 8.360 nan 0.000 0.453 173 F N 0.770 120.454 119.950 -0.444 0.000 2.095 173 F HA -0.229 4.184 4.527 -0.189 0.000 0.298 173 F C 2.774 178.525 175.800 -0.081 0.000 1.104 173 F CA 0.790 58.746 58.000 -0.074 0.000 1.232 173 F CB -0.136 38.837 39.000 -0.045 0.000 0.987 173 F HN 0.010 nan 8.300 nan 0.000 0.475 174 R N 0.203 120.745 120.500 0.070 0.000 2.091 174 R HA -0.213 4.012 4.340 -0.192 0.000 0.238 174 R C 2.028 178.319 176.300 -0.015 0.000 1.136 174 R CA 1.696 57.822 56.100 0.043 0.000 0.959 174 R CB -0.566 29.742 30.300 0.013 0.000 0.856 174 R HN 0.362 nan 8.270 nan 0.000 0.437 175 E N 0.150 120.254 120.200 -0.160 0.000 2.110 175 E HA -0.169 4.066 4.350 -0.192 0.000 0.193 175 E C 1.199 177.756 176.600 -0.072 0.000 0.988 175 E CA 0.895 57.191 56.400 -0.174 0.000 0.804 175 E CB 0.035 29.547 29.700 -0.313 0.000 0.745 175 E HN 0.187 nan 8.360 nan 0.000 0.458 176 F N 0.853 120.825 119.950 0.035 0.000 2.583 176 F HA 0.014 4.425 4.527 -0.192 0.000 0.297 176 F C 1.423 177.244 175.800 0.035 0.000 1.131 176 F CA 1.017 59.035 58.000 0.029 0.000 1.467 176 F CB -0.395 38.619 39.000 0.022 0.000 1.097 176 F HN -0.012 nan 8.300 nan 0.000 0.586 177 K N -0.083 120.428 120.400 0.186 0.000 3.209 177 K HA -0.233 3.972 4.320 -0.192 0.000 0.289 177 K C -0.277 176.407 176.600 0.139 0.000 1.191 177 K CA 0.428 56.796 56.287 0.134 0.000 0.851 177 K CB -1.616 30.954 32.500 0.116 0.000 1.242 177 K HN 0.294 nan 8.250 nan 0.000 0.480 178 L N -1.891 119.430 121.223 0.163 0.000 2.472 178 L HA 0.422 4.646 4.340 -0.192 0.000 0.260 178 L C 1.166 178.115 176.870 0.132 0.000 1.209 178 L CA -0.012 54.910 54.840 0.136 0.000 0.817 178 L CB 0.629 42.748 42.059 0.101 0.000 1.106 178 L HN 0.055 nan 8.230 nan 0.000 0.479 179 S N -0.227 115.552 115.700 0.132 0.000 2.700 179 S HA 0.121 4.475 4.470 -0.192 0.000 0.250 179 S C 0.348 175.057 174.600 0.182 0.000 1.355 179 S CA -0.164 58.117 58.200 0.133 0.000 0.970 179 S CB 0.042 63.313 63.200 0.119 0.000 0.975 179 S HN 0.672 nan 8.310 nan 0.000 0.563 180 K N 0.049 120.569 120.400 0.200 0.000 2.604 180 K HA 0.096 4.301 4.320 -0.192 0.000 0.278 180 K C -0.529 176.342 176.600 0.453 0.000 0.975 180 K CA 0.708 57.165 56.287 0.284 0.000 1.066 180 K CB -0.280 32.356 32.500 0.227 0.000 0.840 180 K HN 0.426 nan 8.250 nan 0.000 0.491 181 V N 4.345 124.556 119.914 0.495 0.000 2.752 181 V HA 0.793 4.798 4.120 -0.192 0.000 0.302 181 V C -1.912 174.490 176.094 0.513 0.000 1.133 181 V CA -0.503 62.055 62.300 0.430 0.000 0.919 181 V CB 0.630 32.604 31.823 0.252 0.000 1.026 181 V HN 0.878 nan 8.190 nan 0.000 0.429 182 W N 4.906 126.323 121.300 0.194 0.000 3.274 182 W HA 0.883 5.428 4.660 -0.191 0.000 0.353 182 W C -0.871 175.772 176.519 0.207 0.000 1.147 182 W CA -1.280 56.164 57.345 0.165 0.000 1.054 182 W CB 1.026 30.560 29.460 0.124 0.000 1.510 182 W HN 0.561 nan 8.180 nan 0.000 0.602 183 R N 0.488 121.174 120.500 0.310 0.000 2.832 183 R HA 0.428 4.653 4.340 -0.192 0.000 0.271 183 R C -1.770 174.716 176.300 0.309 0.000 0.996 183 R CA -0.871 55.341 56.100 0.186 0.000 0.977 183 R CB 1.817 32.203 30.300 0.142 0.000 1.168 183 R HN 0.472 nan 8.270 nan 0.000 0.482 184 D N 0.988 121.541 120.400 0.254 0.000 2.473 184 D HA 0.082 4.607 4.640 -0.192 0.000 0.253 184 D C -1.202 175.158 176.300 0.100 0.000 1.233 184 D CA -0.405 53.769 54.000 0.290 0.000 0.908 184 D CB 1.231 42.374 40.800 0.572 0.000 1.170 184 D HN 0.301 nan 8.370 nan 0.000 0.558 185 Q N 2.515 122.291 119.800 -0.040 0.000 2.260 185 Q HA 0.389 4.614 4.340 -0.192 0.000 0.242 185 Q C -0.939 174.849 176.000 -0.354 0.000 0.932 185 Q CA -0.372 55.362 55.803 -0.115 0.000 0.891 185 Q CB 0.731 29.458 28.738 -0.020 0.000 1.222 185 Q HN 0.544 nan 8.270 nan 0.000 0.453 186 H N 2.016 121.065 119.070 -0.035 0.000 3.094 186 H HA 0.273 4.713 4.556 -0.193 0.000 0.346 186 H C -1.634 173.593 175.328 -0.169 0.000 1.238 186 H CA -0.482 55.581 56.048 0.025 0.000 1.209 186 H CB 0.821 30.634 29.762 0.085 0.000 1.911 186 H HN 0.594 nan 8.280 nan 0.000 0.540 187 F N 2.251 122.345 119.950 0.241 0.000 2.434 187 F HA 0.326 4.738 4.527 -0.192 0.000 0.367 187 F C 0.355 176.257 175.800 0.171 0.000 1.093 187 F CA -0.769 57.338 58.000 0.179 0.000 1.085 187 F CB 1.327 40.429 39.000 0.170 0.000 1.322 187 F HN 0.211 nan 8.300 nan 0.000 0.452 188 V N 0.009 120.063 119.914 0.234 0.000 2.815 188 V HA 0.604 4.609 4.120 -0.192 0.000 0.314 188 V C -0.455 175.752 176.094 0.189 0.000 1.064 188 V CA -1.195 61.225 62.300 0.202 0.000 0.952 188 V CB 1.995 33.888 31.823 0.118 0.000 1.020 188 V HN 0.517 nan 8.190 nan 0.000 0.439 189 K N 3.176 123.731 120.400 0.259 0.000 2.284 189 K HA 0.519 4.724 4.320 -0.192 0.000 0.287 189 K C -1.085 175.640 176.600 0.210 0.000 1.081 189 K CA -0.322 56.115 56.287 0.251 0.000 0.910 189 K CB 1.217 33.901 32.500 0.307 0.000 1.088 189 K HN 0.561 nan 8.250 nan 0.000 0.478 190 I N 2.025 122.585 120.570 -0.016 0.000 2.707 190 I HA 0.130 4.184 4.170 -0.192 0.000 0.309 190 I C 0.012 176.031 176.117 -0.163 0.000 1.001 190 I CA -0.476 60.649 61.300 -0.291 0.000 1.129 190 I CB 1.807 39.428 38.000 -0.631 0.000 1.308 190 I HN 0.490 nan 8.210 nan 0.000 0.466 191 Q N 4.439 124.125 119.800 -0.192 0.000 2.312 191 Q HA 0.751 4.976 4.340 -0.192 0.000 0.263 191 Q C -1.601 174.546 176.000 0.245 0.000 0.995 191 Q CA -0.678 55.128 55.803 0.005 0.000 0.853 191 Q CB 1.763 30.459 28.738 -0.070 0.000 1.300 191 Q HN 0.560 nan 8.270 nan 0.000 0.448 192 V N 0.138 120.111 119.914 0.098 0.000 3.126 192 V HA 0.570 4.575 4.120 -0.192 0.000 0.314 192 V C -0.692 175.221 176.094 -0.302 0.000 1.138 192 V CA -1.324 60.933 62.300 -0.073 0.000 1.034 192 V CB 1.679 33.482 31.823 -0.034 0.000 1.075 192 V HN 0.820 nan 8.190 nan 0.000 0.442 193 K N 1.491 121.540 120.400 -0.584 0.000 2.383 193 K HA 0.164 4.369 4.320 -0.192 0.000 0.286 193 K C -0.291 176.201 176.600 -0.179 0.000 1.051 193 K CA -0.030 56.006 56.287 -0.418 0.000 0.974 193 K CB 0.289 32.535 32.500 -0.424 0.000 0.968 193 K HN 0.970 nan 8.250 nan 0.000 0.475 194 D N 1.935 122.270 120.400 -0.109 0.000 2.357 194 D HA -0.047 4.478 4.640 -0.192 0.000 0.242 194 D C 1.078 177.349 176.300 -0.048 0.000 1.153 194 D CA 0.227 54.192 54.000 -0.058 0.000 0.918 194 D CB 1.070 41.851 40.800 -0.032 0.000 1.181 194 D HN 0.480 nan 8.370 nan 0.000 0.435 195 S N 1.758 117.438 115.700 -0.033 0.000 2.407 195 S HA -0.182 4.173 4.470 -0.192 0.000 0.235 195 S C 1.094 175.683 174.600 -0.019 0.000 1.036 195 S CA 0.591 58.777 58.200 -0.024 0.000 1.013 195 S CB -0.657 62.532 63.200 -0.018 0.000 0.820 195 S HN 0.640 nan 8.310 nan 0.000 0.476 196 A N 2.333 125.143 122.820 -0.017 0.000 2.450 196 A HA 0.377 4.582 4.320 -0.192 0.000 0.255 196 A C 0.421 177.997 177.584 -0.013 0.000 1.096 196 A CA -0.390 51.640 52.037 -0.011 0.000 0.778 196 A CB 0.169 19.164 19.000 -0.008 0.000 1.031 196 A HN 0.320 nan 8.150 nan 0.000 0.494 197 Q N 1.906 121.701 119.800 -0.007 0.000 2.304 197 Q HA 0.106 4.331 4.340 -0.192 0.000 0.260 197 Q C -0.289 175.707 176.000 -0.005 0.000 0.965 197 Q CA 0.181 55.981 55.803 -0.005 0.000 0.898 197 Q CB 0.599 29.337 28.738 0.001 0.000 1.196 197 Q HN 0.763 nan 8.270 nan 0.000 0.402 198 N N 1.025 119.724 118.700 -0.001 0.000 2.529 198 N HA 0.282 4.907 4.740 -0.192 0.000 0.278 198 N C -0.452 175.056 175.510 -0.004 0.000 1.146 198 N CA 0.065 53.116 53.050 0.002 0.000 0.980 198 N CB 1.186 39.682 38.487 0.016 0.000 1.124 198 N HN 0.574 nan 8.380 nan 0.000 0.458 199 S N -1.197 114.494 115.700 -0.014 0.000 2.567 199 S HA 0.508 4.863 4.470 -0.192 0.000 0.270 199 S C -0.894 173.681 174.600 -0.043 0.000 1.152 199 S CA -0.971 57.209 58.200 -0.035 0.000 0.835 199 S CB 1.017 64.184 63.200 -0.056 0.000 1.115 199 S HN 0.279 nan 8.310 nan 0.000 0.459 200 V N -0.187 119.689 119.914 -0.063 0.000 2.495 200 V HA 0.942 4.947 4.120 -0.192 0.000 0.298 200 V C -0.771 175.259 176.094 -0.106 0.000 1.031 200 V CA -0.673 61.589 62.300 -0.064 0.000 0.871 200 V CB 0.869 32.660 31.823 -0.054 0.000 0.988 200 V HN 1.102 nan 8.190 nan 0.000 0.432 201 I N 4.787 125.301 120.570 -0.092 0.000 2.607 201 I HA 0.600 4.655 4.170 -0.192 0.000 0.290 201 I C -0.607 175.469 176.117 -0.069 0.000 1.129 201 I CA -0.903 60.327 61.300 -0.116 0.000 1.042 201 I CB 1.858 39.780 38.000 -0.129 0.000 1.242 201 I HN 0.716 nan 8.210 nan 0.000 0.421 202 I N 7.682 128.215 120.570 -0.062 0.000 2.496 202 I HA 0.494 4.549 4.170 -0.192 0.000 0.285 202 I C -0.268 175.838 176.117 -0.018 0.000 1.080 202 I CA -0.470 60.814 61.300 -0.028 0.000 1.404 202 I CB 1.069 39.061 38.000 -0.014 0.000 1.403 202 I HN 0.520 nan 8.210 nan 0.000 0.539 203 V N 5.602 125.512 119.914 -0.007 0.000 3.000 203 V HA 0.350 4.355 4.120 -0.192 0.000 0.300 203 V C -0.732 175.366 176.094 0.007 0.000 1.251 203 V CA -0.669 61.630 62.300 -0.001 0.000 0.972 203 V CB 2.060 33.879 31.823 -0.007 0.000 1.065 203 V HN 0.770 nan 8.190 nan 0.000 0.431 204 D N 3.099 123.505 120.400 0.010 0.000 2.249 204 D HA 0.207 4.732 4.640 -0.192 0.000 0.269 204 D C 0.854 177.162 176.300 0.012 0.000 1.220 204 D CA 0.080 54.088 54.000 0.013 0.000 1.016 204 D CB 0.763 41.572 40.800 0.015 0.000 1.133 204 D HN 0.743 nan 8.370 nan 0.000 0.533 205 K N 0.211 120.619 120.400 0.013 0.000 2.665 205 K HA 0.017 4.222 4.320 -0.192 0.000 0.196 205 K C -0.338 176.268 176.600 0.011 0.000 1.021 205 K CA 0.195 56.489 56.287 0.013 0.000 1.066 205 K CB -0.624 31.884 32.500 0.013 0.000 0.849 205 K HN 0.277 nan 8.250 nan 0.000 0.500 206 N N -1.381 117.325 118.700 0.010 0.000 3.997 206 N HA 0.084 4.709 4.740 -0.192 0.000 0.209 206 N C -0.331 175.183 175.510 0.008 0.000 1.108 206 N CA -0.238 52.817 53.050 0.009 0.000 1.020 206 N CB 0.026 38.519 38.487 0.009 0.000 1.628 206 N HN 0.058 nan 8.380 nan 0.000 0.588 207 G N 1.336 110.139 108.800 0.006 0.000 3.375 207 G HA2 -0.224 3.621 3.960 -0.192 0.000 0.703 207 G HA3 -0.224 3.621 3.960 -0.192 0.000 0.703 207 G C -0.058 174.844 174.900 0.004 0.000 1.632 207 G CA 0.043 45.146 45.100 0.005 0.000 1.206 207 G HN 1.085 nan 8.290 nan 0.000 0.579 208 R N 2.398 122.899 120.500 0.001 0.000 2.210 208 R HA 0.330 4.555 4.340 -0.192 0.000 0.338 208 R C 0.863 177.173 176.300 0.016 0.000 1.062 208 R CA -0.671 55.429 56.100 -0.001 0.000 0.902 208 R CB 1.018 31.305 30.300 -0.021 0.000 1.050 208 R HN 0.576 nan 8.270 nan 0.000 0.461 209 L N 4.427 125.662 121.223 0.020 0.000 2.034 209 L HA -0.044 4.181 4.340 -0.192 0.000 0.203 209 L C 1.767 178.665 176.870 0.047 0.000 1.074 209 L CA 1.424 56.282 54.840 0.030 0.000 0.748 209 L CB -0.597 41.478 42.059 0.026 0.000 0.905 209 L HN 0.540 nan 8.230 nan 0.000 0.439 210 V N -1.228 118.717 119.914 0.052 0.000 2.263 210 V HA -0.064 3.941 4.120 -0.192 0.000 0.188 210 V C 0.314 176.500 176.094 0.153 0.000 0.949 210 V CA 1.128 63.478 62.300 0.084 0.000 1.133 210 V CB 0.192 32.058 31.823 0.072 0.000 0.705 210 V HN 0.534 nan 8.190 nan 0.000 0.463 211 Y N -1.720 118.579 120.300 -0.001 0.000 2.638 211 Y HA 0.483 4.918 4.550 -0.192 0.000 0.335 211 Y C -0.836 175.062 175.900 -0.004 0.000 1.155 211 Y CA -1.347 56.752 58.100 -0.001 0.000 1.046 211 Y CB 1.314 39.773 38.460 -0.002 0.000 1.303 211 Y HN 0.448 nan 8.280 nan 0.000 0.460 212 L N 5.129 125.606 121.223 -1.244 0.000 2.699 212 L HA 0.102 4.327 4.340 -0.192 0.000 0.283 212 L C 0.614 176.927 176.870 -0.928 0.000 1.166 212 L CA 0.586 54.841 54.840 -0.975 0.000 1.043 212 L CB -0.581 40.973 42.059 -0.840 0.000 1.369 212 L HN 0.857 nan 8.230 nan 0.000 0.462 213 V N 2.848 122.540 119.914 -0.370 0.000 2.265 213 V HA -0.324 3.681 4.120 -0.192 0.000 0.260 213 V C 1.194 177.241 176.094 -0.078 0.000 1.084 213 V CA 2.440 64.659 62.300 -0.135 0.000 1.086 213 V CB -0.577 31.186 31.823 -0.100 0.000 0.704 213 V HN 0.956 nan 8.190 nan 0.000 0.457 214 E N -2.192 117.937 120.200 -0.119 0.000 2.392 214 E HA 0.183 4.418 4.350 -0.192 0.000 0.281 214 E C -1.513 175.062 176.600 -0.041 0.000 1.088 214 E CA -0.617 55.765 56.400 -0.030 0.000 0.850 214 E CB 0.985 30.697 29.700 0.020 0.000 1.267 214 E HN 0.263 nan 8.360 nan 0.000 0.438 215 N N 3.088 121.790 118.700 0.004 0.000 3.091 215 N HA 0.294 4.919 4.740 -0.192 0.000 0.255 215 N C -2.671 172.859 175.510 0.033 0.000 1.204 215 N CA -1.287 51.768 53.050 0.009 0.000 0.990 215 N CB 1.030 39.531 38.487 0.023 0.000 1.260 215 N HN 0.187 nan 8.380 nan 0.000 0.502 216 P HA -0.107 nan 4.420 nan 0.000 0.262 216 P C 1.127 178.475 177.300 0.079 0.000 1.151 216 P CA 0.468 63.593 63.100 0.041 0.000 0.757 216 P CB 0.698 32.406 31.700 0.014 0.000 0.754 217 G N 2.621 111.491 108.800 0.116 0.000 2.551 217 G HA2 0.159 4.004 3.960 -0.192 0.000 0.216 217 G HA3 0.159 4.004 3.960 -0.192 0.000 0.216 217 G C 0.733 175.811 174.900 0.297 0.000 1.137 217 G CA 0.679 45.889 45.100 0.184 0.000 0.798 217 G HN 0.690 nan 8.290 nan 0.000 0.536 218 G N -1.215 107.715 108.800 0.217 0.000 3.075 218 G HA2 0.652 4.497 3.960 -0.192 0.000 0.253 218 G HA3 0.652 4.497 3.960 -0.192 0.000 0.253 218 G C -1.091 173.916 174.900 0.179 0.000 1.353 218 G CA -0.808 44.401 45.100 0.182 0.000 1.051 218 G HN 0.564 nan 8.290 nan 0.000 0.553 219 Y N -3.474 116.701 120.300 -0.208 0.000 2.689 219 Y HA 0.629 5.064 4.550 -0.192 0.000 0.333 219 Y C -1.399 174.337 175.900 -0.274 0.000 1.208 219 Y CA -1.538 56.464 58.100 -0.164 0.000 1.055 219 Y CB 1.388 39.826 38.460 -0.037 0.000 1.304 219 Y HN 0.406 nan 8.280 nan 0.000 0.455 220 V N 3.024 122.732 119.914 -0.344 0.000 2.311 220 V HA 0.658 4.663 4.120 -0.192 0.000 0.275 220 V C 0.696 176.581 176.094 -0.349 0.000 1.022 220 V CA -0.285 61.704 62.300 -0.518 0.000 0.830 220 V CB 0.234 31.907 31.823 -0.249 0.000 1.012 220 V HN 1.010 nan 8.190 nan 0.000 0.452 221 A N 3.792 126.264 122.820 -0.579 0.000 2.504 221 A HA 0.302 4.507 4.320 -0.192 0.000 0.242 221 A C 0.605 178.190 177.584 0.001 0.000 1.100 221 A CA 0.312 52.210 52.037 -0.232 0.000 0.786 221 A CB -0.555 18.258 19.000 -0.313 0.000 1.050 221 A HN 1.082 nan 8.150 nan 0.000 0.512 222 Y N -0.834 119.551 120.300 0.142 0.000 4.317 222 Y HA -0.235 4.200 4.550 -0.192 0.000 0.212 222 Y C 1.275 177.231 175.900 0.094 0.000 1.080 222 Y CA 0.974 59.142 58.100 0.114 0.000 1.735 222 Y CB -1.907 36.595 38.460 0.070 0.000 1.567 222 Y HN 0.679 nan 8.280 nan 0.000 0.619 223 S N 0.739 116.544 115.700 0.174 0.000 2.576 223 S HA 0.305 4.660 4.470 -0.192 0.000 0.276 223 S C 0.265 174.943 174.600 0.130 0.000 1.339 223 S CA -0.836 57.444 58.200 0.134 0.000 1.039 223 S CB 0.785 64.042 63.200 0.095 0.000 0.902 223 S HN 0.272 nan 8.310 nan 0.000 0.516 224 K N 3.293 123.759 120.400 0.110 0.000 2.472 224 K HA 0.226 4.431 4.320 -0.192 0.000 0.280 224 K C -0.195 176.454 176.600 0.081 0.000 1.028 224 K CA 0.516 56.860 56.287 0.095 0.000 1.045 224 K CB -0.035 32.512 32.500 0.078 0.000 0.902 224 K HN 0.588 nan 8.250 nan 0.000 0.478 225 A N 3.931 126.797 122.820 0.078 0.000 2.539 225 A HA 0.565 4.770 4.320 -0.192 0.000 0.306 225 A C -0.233 177.380 177.584 0.048 0.000 1.392 225 A CA 0.357 52.431 52.037 0.062 0.000 1.060 225 A CB -0.736 18.299 19.000 0.058 0.000 1.134 225 A HN 0.940 nan 8.150 nan 0.000 0.542 226 A N 1.498 124.343 122.820 0.043 0.000 2.506 226 A HA 0.893 5.098 4.320 -0.192 0.000 0.305 226 A C -0.400 177.202 177.584 0.029 0.000 1.166 226 A CA 0.109 52.166 52.037 0.034 0.000 0.638 226 A CB 0.764 19.786 19.000 0.037 0.000 1.336 226 A HN 1.448 nan 8.150 nan 0.000 0.493 227 T N -0.213 114.355 114.554 0.024 0.000 3.237 227 T HA 0.619 4.854 4.350 -0.192 0.000 0.319 227 T C -1.340 173.370 174.700 0.018 0.000 1.037 227 T CA 0.259 62.370 62.100 0.019 0.000 1.048 227 T CB 0.487 69.362 68.868 0.012 0.000 1.081 227 T HN 2.193 nan 8.240 nan 0.000 0.455 228 V N 1.464 121.389 119.914 0.018 0.000 3.188 228 V HA 0.995 5.000 4.120 -0.192 0.000 0.305 228 V C -0.508 175.596 176.094 0.016 0.000 1.232 228 V CA -0.747 61.564 62.300 0.019 0.000 1.043 228 V CB 1.576 33.413 31.823 0.024 0.000 1.068 228 V HN 0.929 nan 8.190 nan 0.000 0.439 229 T N 0.038 114.602 114.554 0.016 0.000 2.903 229 T HA 0.956 5.191 4.350 -0.192 0.000 0.299 229 T C -0.191 174.521 174.700 0.020 0.000 1.093 229 T CA 0.483 62.592 62.100 0.015 0.000 1.002 229 T CB 1.394 70.267 68.868 0.009 0.000 1.127 229 T HN 2.374 nan 8.240 nan 0.000 0.488 230 G N 2.127 110.941 108.800 0.023 0.000 2.336 230 G HA2 0.323 4.168 3.960 -0.192 0.000 0.286 230 G HA3 0.323 4.168 3.960 -0.192 0.000 0.286 230 G C -1.510 173.410 174.900 0.033 0.000 1.269 230 G CA -0.910 44.206 45.100 0.027 0.000 0.873 230 G HN 0.827 nan 8.290 nan 0.000 0.494 231 K N -0.738 119.685 120.400 0.039 0.000 2.286 231 K HA 0.388 4.593 4.320 -0.192 0.000 0.256 231 K C -0.872 175.765 176.600 0.061 0.000 0.999 231 K CA -0.112 56.204 56.287 0.049 0.000 0.908 231 K CB 1.037 33.567 32.500 0.050 0.000 0.981 231 K HN 0.341 nan 8.250 nan 0.000 0.500 232 L N 2.201 123.471 121.223 0.078 0.000 2.454 232 L HA 0.212 4.437 4.340 -0.192 0.000 0.258 232 L C -1.044 175.914 176.870 0.148 0.000 1.025 232 L CA -0.558 54.343 54.840 0.101 0.000 0.901 232 L CB 1.311 43.421 42.059 0.084 0.000 1.210 232 L HN 0.322 nan 8.230 nan 0.000 0.457 233 V N 2.730 122.737 119.914 0.156 0.000 2.953 233 V HA 0.250 4.255 4.120 -0.192 0.000 0.304 233 V C -0.354 175.916 176.094 0.295 0.000 1.073 233 V CA -0.531 61.888 62.300 0.198 0.000 1.064 233 V CB 1.246 33.159 31.823 0.150 0.000 1.047 233 V HN 0.776 nan 8.190 nan 0.000 0.478 234 H N 2.408 121.608 119.070 0.217 0.000 2.645 234 H HA 0.623 5.064 4.556 -0.192 0.000 0.257 234 H C -0.052 175.424 175.328 0.246 0.000 1.269 234 H CA -0.421 55.788 56.048 0.269 0.000 1.409 234 H CB 0.422 30.399 29.762 0.358 0.000 1.434 234 H HN 0.773 nan 8.280 nan 0.000 0.505 235 A N 4.644 127.465 122.820 0.002 0.000 2.666 235 A HA 0.177 4.382 4.320 -0.192 0.000 0.312 235 A C 0.449 177.853 177.584 -0.301 0.000 1.471 235 A CA -0.532 51.462 52.037 -0.072 0.000 1.134 235 A CB -0.950 18.078 19.000 0.046 0.000 1.129 235 A HN 0.920 nan 8.150 nan 0.000 0.539 236 N N 2.130 120.403 118.700 -0.712 0.000 2.098 236 N HA -0.157 4.468 4.740 -0.192 0.000 0.268 236 N C -0.173 175.163 175.510 -0.290 0.000 1.238 236 N CA 0.860 53.320 53.050 -0.983 0.000 0.822 236 N CB -0.615 36.440 38.487 -2.386 0.000 1.063 236 N HN 0.602 nan 8.380 nan 0.000 0.471 237 F N 0.916 120.729 119.950 -0.229 0.000 2.194 237 F HA -0.242 4.170 4.527 -0.191 0.000 0.197 237 F C 1.691 177.432 175.800 -0.099 0.000 1.020 237 F CA 0.031 57.983 58.000 -0.081 0.000 0.842 237 F CB -1.303 37.757 39.000 0.100 0.000 0.970 237 F HN 0.872 nan 8.300 nan 0.000 0.788 238 G N 3.233 112.060 108.800 0.046 0.000 2.425 238 G HA2 -0.220 3.625 3.960 -0.192 0.000 0.290 238 G HA3 -0.220 3.625 3.960 -0.192 0.000 0.290 238 G C 0.935 175.805 174.900 -0.049 0.000 0.863 238 G CA 1.363 46.435 45.100 -0.047 0.000 1.047 238 G HN 1.976 nan 8.290 nan 0.000 0.495 239 T N -3.175 111.388 114.554 0.015 0.000 10.479 239 T HA -0.496 3.739 4.350 -0.192 0.000 0.411 239 T C 1.543 176.156 174.700 -0.146 0.000 1.504 239 T CA 2.563 64.676 62.100 0.022 0.000 2.475 239 T CB -1.675 67.196 68.868 0.005 0.000 2.895 239 T HN 2.055 nan 8.240 nan 0.000 1.096 240 K N 1.566 121.796 120.400 -0.283 0.000 3.377 240 K HA -0.443 3.762 4.320 -0.192 0.000 0.314 240 K C 0.987 177.387 176.600 -0.335 0.000 1.246 240 K CA 2.874 58.866 56.287 -0.492 0.000 0.961 240 K CB -1.234 30.539 32.500 -1.211 0.000 1.233 240 K HN 0.997 nan 8.250 nan 0.000 0.428 241 K N -1.585 118.702 120.400 -0.187 0.000 3.376 241 K HA -0.333 3.872 4.320 -0.192 0.000 0.326 241 K C 0.781 177.335 176.600 -0.076 0.000 0.744 241 K CA 2.228 58.454 56.287 -0.103 0.000 1.436 241 K CB -1.546 30.892 32.500 -0.104 0.000 1.298 241 K HN 0.412 nan 8.250 nan 0.000 0.463 242 D N -0.297 120.009 120.400 -0.156 0.000 2.106 242 D HA 0.025 4.550 4.640 -0.192 0.000 0.203 242 D C 1.680 178.053 176.300 0.122 0.000 0.977 242 D CA 1.704 55.667 54.000 -0.061 0.000 0.844 242 D CB -0.418 40.282 40.800 -0.168 0.000 1.002 242 D HN 0.450 nan 8.370 nan 0.000 0.461 243 F N 0.752 120.687 119.950 -0.026 0.000 2.271 243 F HA -0.147 4.265 4.527 -0.191 0.000 0.302 243 F C 2.209 178.025 175.800 0.026 0.000 1.063 243 F CA 0.361 58.340 58.000 -0.034 0.000 1.362 243 F CB -0.034 38.844 39.000 -0.203 0.000 1.060 243 F HN 0.047 nan 8.300 nan 0.000 0.521 244 E N 0.125 120.437 120.200 0.186 0.000 2.267 244 E HA -0.159 4.076 4.350 -0.192 0.000 0.197 244 E C 0.385 177.066 176.600 0.135 0.000 0.998 244 E CA 0.807 57.285 56.400 0.130 0.000 0.830 244 E CB -0.478 29.265 29.700 0.073 0.000 0.751 244 E HN 0.403 nan 8.360 nan 0.000 0.491 245 D N 1.265 121.757 120.400 0.154 0.000 2.767 245 D HA 0.089 4.614 4.640 -0.192 0.000 0.231 245 D C 0.350 176.752 176.300 0.171 0.000 1.105 245 D CA 0.086 54.169 54.000 0.138 0.000 1.024 245 D CB -0.405 40.471 40.800 0.127 0.000 1.123 245 D HN 0.085 nan 8.370 nan 0.000 0.470 246 L N -2.277 119.050 121.223 0.173 0.000 2.256 246 L HA 0.440 4.665 4.340 -0.192 0.000 0.261 246 L C 1.147 178.120 176.870 0.172 0.000 1.022 246 L CA -0.870 54.090 54.840 0.201 0.000 0.828 246 L CB 0.844 43.060 42.059 0.261 0.000 1.374 246 L HN -0.175 nan 8.230 nan 0.000 0.436 247 Y N 0.906 121.239 120.300 0.055 0.000 2.034 247 Y HA -0.074 4.361 4.550 -0.192 0.000 0.269 247 Y C 1.051 176.979 175.900 0.046 0.000 1.125 247 Y CA 1.970 60.091 58.100 0.035 0.000 1.097 247 Y CB -0.446 38.018 38.460 0.007 0.000 0.978 247 Y HN 0.705 nan 8.280 nan 0.000 0.480 248 T N 4.892 119.433 114.554 -0.022 0.000 2.871 248 T HA 0.087 4.322 4.350 -0.192 0.000 0.296 248 T C -2.320 172.344 174.700 -0.059 0.000 0.998 248 T CA -0.784 61.255 62.100 -0.102 0.000 1.162 248 T CB 0.377 69.292 68.868 0.079 0.000 0.947 248 T HN 0.264 nan 8.240 nan 0.000 0.536 249 P HA 0.226 nan 4.420 nan 0.000 0.282 249 P C 0.566 177.869 177.300 0.004 0.000 1.249 249 P CA -0.545 62.530 63.100 -0.042 0.000 0.806 249 P CB 1.126 32.786 31.700 -0.066 0.000 0.984 250 V N -1.735 118.193 119.914 0.024 0.000 3.444 250 V HA 0.201 4.206 4.120 -0.192 0.000 0.308 250 V C 0.855 176.967 176.094 0.031 0.000 1.371 250 V CA -0.279 62.044 62.300 0.040 0.000 1.141 250 V CB -1.416 30.439 31.823 0.054 0.000 1.037 250 V HN 0.396 nan 8.190 nan 0.000 0.433 251 N N 3.545 122.256 118.700 0.019 0.000 2.374 251 N HA 0.224 4.849 4.740 -0.192 0.000 0.298 251 N C 1.018 176.539 175.510 0.020 0.000 1.273 251 N CA 1.353 54.413 53.050 0.016 0.000 1.093 251 N CB -0.839 37.652 38.487 0.007 0.000 1.486 251 N HN 0.971 nan 8.380 nan 0.000 0.488 252 G N 1.875 110.690 108.800 0.026 0.000 2.545 252 G HA2 -0.084 3.761 3.960 -0.192 0.000 0.279 252 G HA3 -0.084 3.761 3.960 -0.192 0.000 0.279 252 G C -0.714 174.205 174.900 0.031 0.000 1.131 252 G CA 0.041 45.157 45.100 0.027 0.000 1.100 252 G HN 1.178 nan 8.290 nan 0.000 0.525 253 S N -0.860 114.863 115.700 0.038 0.000 2.580 253 S HA 0.655 5.010 4.470 -0.192 0.000 0.281 253 S C -0.192 174.440 174.600 0.054 0.000 1.129 253 S CA -0.995 57.232 58.200 0.045 0.000 0.862 253 S CB 1.338 64.567 63.200 0.048 0.000 1.090 253 S HN 0.922 nan 8.310 nan 0.000 0.451 254 I N 1.626 122.230 120.570 0.056 0.000 2.892 254 I HA 0.319 4.374 4.170 -0.192 0.000 0.287 254 I C -0.335 175.834 176.117 0.086 0.000 1.205 254 I CA -0.301 61.037 61.300 0.064 0.000 1.409 254 I CB 0.620 38.654 38.000 0.055 0.000 1.367 254 I HN 0.484 nan 8.210 nan 0.000 0.597 255 V N 6.379 126.351 119.914 0.097 0.000 2.876 255 V HA 0.490 4.494 4.120 -0.192 0.000 0.312 255 V C -0.138 176.053 176.094 0.162 0.000 1.085 255 V CA -0.624 61.754 62.300 0.130 0.000 0.945 255 V CB 2.205 34.093 31.823 0.109 0.000 1.017 255 V HN 0.433 nan 8.190 nan 0.000 0.428 256 I N 3.844 124.565 120.570 0.251 0.000 2.525 256 I HA 0.799 4.854 4.170 -0.192 0.000 0.301 256 I C -0.573 175.762 176.117 0.364 0.000 0.992 256 I CA -0.912 60.596 61.300 0.346 0.000 1.162 256 I CB 1.996 40.294 38.000 0.497 0.000 1.332 256 I HN 0.547 nan 8.210 nan 0.000 0.458 257 V N 2.155 122.214 119.914 0.241 0.000 3.120 257 V HA 0.607 4.612 4.120 -0.192 0.000 0.303 257 V C -0.834 175.179 176.094 -0.134 0.000 1.238 257 V CA -1.145 61.194 62.300 0.067 0.000 1.008 257 V CB 2.026 33.851 31.823 0.004 0.000 1.064 257 V HN 0.727 nan 8.190 nan 0.000 0.434 258 R N 1.875 122.280 120.500 -0.159 0.000 2.457 258 R HA 0.800 5.025 4.340 -0.192 0.000 0.284 258 R C 0.137 176.434 176.300 -0.006 0.000 1.024 258 R CA 0.040 56.001 56.100 -0.233 0.000 1.025 258 R CB 1.537 31.780 30.300 -0.095 0.000 1.063 258 R HN 1.144 nan 8.270 nan 0.000 0.493 259 A N 1.543 124.314 122.820 -0.082 0.000 2.347 259 A HA 0.542 4.747 4.320 -0.192 0.000 0.287 259 A C 0.403 178.029 177.584 0.069 0.000 1.199 259 A CA 0.483 52.412 52.037 -0.180 0.000 0.851 259 A CB 0.156 18.938 19.000 -0.362 0.000 1.118 259 A HN 0.893 nan 8.150 nan 0.000 0.525 260 G N 1.463 110.119 108.800 -0.240 0.000 3.218 260 G HA2 0.151 3.996 3.960 -0.192 0.000 0.143 260 G HA3 0.151 3.996 3.960 -0.192 0.000 0.143 260 G C 0.726 175.234 174.900 -0.654 0.000 1.220 260 G CA 0.045 44.799 45.100 -0.576 0.000 1.382 260 G HN 0.470 nan 8.290 nan 0.000 0.682 261 K N 0.152 119.939 120.400 -1.021 0.000 2.163 261 K HA -0.149 4.056 4.320 -0.192 0.000 0.210 261 K C 1.393 177.758 176.600 -0.393 0.000 1.048 261 K CA 2.002 57.925 56.287 -0.605 0.000 0.928 261 K CB -0.557 31.607 32.500 -0.560 0.000 0.716 261 K HN 0.567 nan 8.250 nan 0.000 0.459 262 I N -3.004 117.345 120.570 -0.369 0.000 3.522 262 I HA 0.274 4.329 4.170 -0.192 0.000 0.292 262 I C -0.035 175.944 176.117 -0.229 0.000 1.147 262 I CA -1.233 59.904 61.300 -0.272 0.000 1.032 262 I CB 1.761 39.610 38.000 -0.252 0.000 1.337 262 I HN -0.186 nan 8.210 nan 0.000 0.496 263 T N -1.793 112.656 114.554 -0.175 0.000 2.907 263 T HA 0.425 4.660 4.350 -0.192 0.000 0.284 263 T C 0.617 175.296 174.700 -0.035 0.000 1.004 263 T CA -0.442 61.609 62.100 -0.082 0.000 1.063 263 T CB 1.034 69.837 68.868 -0.109 0.000 0.992 263 T HN 0.465 nan 8.240 nan 0.000 0.483 264 F N 1.731 121.606 119.950 -0.125 0.000 2.063 264 F HA -0.150 4.262 4.527 -0.192 0.000 0.298 264 F C 2.976 178.720 175.800 -0.092 0.000 1.105 264 F CA 2.110 60.054 58.000 -0.093 0.000 1.215 264 F CB -1.452 37.488 39.000 -0.100 0.000 0.972 264 F HN 0.816 nan 8.300 nan 0.000 0.483 265 A N -0.111 122.766 122.820 0.096 0.000 1.881 265 A HA -0.317 3.888 4.320 -0.192 0.000 0.219 265 A C 2.162 179.734 177.584 -0.020 0.000 1.215 265 A CA 2.422 54.459 52.037 -0.000 0.000 0.648 265 A CB -1.080 17.843 19.000 -0.127 0.000 0.832 265 A HN 0.538 nan 8.150 nan 0.000 0.455 266 E N -0.466 119.695 120.200 -0.065 0.000 2.047 266 E HA -0.185 4.050 4.350 -0.192 0.000 0.191 266 E C 2.151 178.712 176.600 -0.065 0.000 0.987 266 E CA 1.288 57.640 56.400 -0.080 0.000 0.799 266 E CB -0.198 29.427 29.700 -0.125 0.000 0.752 266 E HN 0.614 nan 8.360 nan 0.000 0.449 267 K N 0.606 120.961 120.400 -0.075 0.000 2.020 267 K HA -0.187 4.018 4.320 -0.192 0.000 0.212 267 K C 2.280 178.869 176.600 -0.019 0.000 1.050 267 K CA 1.730 57.975 56.287 -0.070 0.000 0.929 267 K CB -0.382 32.052 32.500 -0.110 0.000 0.714 267 K HN 0.005 nan 8.250 nan 0.000 0.443 268 V N 1.457 121.379 119.914 0.013 0.000 2.261 268 V HA -0.282 3.723 4.120 -0.192 0.000 0.246 268 V C 2.468 178.579 176.094 0.028 0.000 1.047 268 V CA 2.019 64.342 62.300 0.038 0.000 1.015 268 V CB -0.977 30.886 31.823 0.067 0.000 0.642 268 V HN 0.404 nan 8.190 nan 0.000 0.446 269 A N 1.013 123.844 122.820 0.019 0.000 1.884 269 A HA -0.325 3.880 4.320 -0.192 0.000 0.219 269 A C 2.089 179.679 177.584 0.010 0.000 1.197 269 A CA 2.528 54.575 52.037 0.015 0.000 0.637 269 A CB -0.866 18.134 19.000 0.001 0.000 0.827 269 A HN 0.654 nan 8.150 nan 0.000 0.450 270 N N 0.307 119.005 118.700 -0.004 0.000 2.084 270 N HA -0.132 4.493 4.740 -0.192 0.000 0.190 270 N C 2.006 177.524 175.510 0.013 0.000 1.030 270 N CA 1.626 54.675 53.050 -0.003 0.000 0.849 270 N CB -0.791 37.682 38.487 -0.024 0.000 1.012 270 N HN 0.501 nan 8.380 nan 0.000 0.423 271 A N 1.443 124.274 122.820 0.018 0.000 1.884 271 A HA -0.252 3.953 4.320 -0.192 0.000 0.219 271 A C 2.162 179.767 177.584 0.034 0.000 1.197 271 A CA 2.030 54.086 52.037 0.032 0.000 0.637 271 A CB -0.804 18.220 19.000 0.039 0.000 0.827 271 A HN 0.494 nan 8.150 nan 0.000 0.450 272 E N 0.064 120.285 120.200 0.034 0.000 2.208 272 E HA -0.136 4.099 4.350 -0.192 0.000 0.193 272 E C 2.039 178.658 176.600 0.031 0.000 0.988 272 E CA 1.188 57.609 56.400 0.035 0.000 0.828 272 E CB -0.117 29.607 29.700 0.039 0.000 0.763 272 E HN 0.763 nan 8.360 nan 0.000 0.478 273 S N 0.091 115.807 115.700 0.027 0.000 2.447 273 S HA -0.063 4.292 4.470 -0.192 0.000 0.233 273 S C 1.536 176.151 174.600 0.025 0.000 1.006 273 S CA 0.422 58.637 58.200 0.024 0.000 0.957 273 S CB 0.068 63.280 63.200 0.019 0.000 0.773 273 S HN 0.230 nan 8.310 nan 0.000 0.507 274 L N 1.708 122.947 121.223 0.027 0.000 2.700 274 L HA 0.376 4.601 4.340 -0.192 0.000 0.234 274 L C 0.339 177.226 176.870 0.028 0.000 1.156 274 L CA 0.315 55.171 54.840 0.028 0.000 0.946 274 L CB -2.073 40.005 42.059 0.032 0.000 1.216 274 L HN 0.437 nan 8.230 nan 0.000 0.493 275 N N -0.589 118.128 118.700 0.029 0.000 2.776 275 N HA -0.170 4.455 4.740 -0.192 0.000 0.250 275 N C 0.559 176.088 175.510 0.032 0.000 1.112 275 N CA 0.417 53.484 53.050 0.029 0.000 0.733 275 N CB -0.451 38.050 38.487 0.024 0.000 1.097 275 N HN 0.454 nan 8.380 nan 0.000 0.558 276 A N 0.228 123.069 122.820 0.036 0.000 2.250 276 A HA 0.801 5.006 4.320 -0.192 0.000 0.283 276 A C 0.170 177.779 177.584 0.041 0.000 1.206 276 A CA 0.008 52.070 52.037 0.041 0.000 0.840 276 A CB 0.431 19.459 19.000 0.048 0.000 1.220 276 A HN 0.289 nan 8.150 nan 0.000 0.505 277 I N -3.193 117.403 120.570 0.044 0.000 2.692 277 I HA 0.678 4.733 4.170 -0.192 0.000 0.293 277 I C 0.230 176.375 176.117 0.048 0.000 1.200 277 I CA -0.001 61.325 61.300 0.043 0.000 1.036 277 I CB 1.009 39.032 38.000 0.038 0.000 1.258 277 I HN 1.660 nan 8.210 nan 0.000 0.421 278 G N 2.711 111.540 108.800 0.049 0.000 2.978 278 G HA2 0.226 4.071 3.960 -0.192 0.000 0.686 278 G HA3 0.226 4.071 3.960 -0.192 0.000 0.686 278 G C -1.021 173.915 174.900 0.059 0.000 1.288 278 G CA -0.362 44.768 45.100 0.051 0.000 1.026 278 G HN 1.066 nan 8.290 nan 0.000 0.587 279 V N 3.699 123.650 119.914 0.063 0.000 2.733 279 V HA 0.613 4.618 4.120 -0.192 0.000 0.306 279 V C -0.187 175.953 176.094 0.077 0.000 1.084 279 V CA -1.161 61.183 62.300 0.074 0.000 0.905 279 V CB 1.882 33.747 31.823 0.070 0.000 1.010 279 V HN 0.818 nan 8.190 nan 0.000 0.424 280 L N 5.262 126.542 121.223 0.095 0.000 2.322 280 L HA 0.654 4.879 4.340 -0.192 0.000 0.281 280 L C -0.666 176.285 176.870 0.135 0.000 1.014 280 L CA -0.431 54.471 54.840 0.102 0.000 0.815 280 L CB 1.567 43.688 42.059 0.103 0.000 1.247 280 L HN 0.493 nan 8.230 nan 0.000 0.421 281 I N 4.529 125.176 120.570 0.129 0.000 2.389 281 I HA 0.410 4.465 4.170 -0.192 0.000 0.288 281 I C -0.401 175.923 176.117 0.344 0.000 0.999 281 I CA -0.480 60.903 61.300 0.138 0.000 1.129 281 I CB 1.485 39.543 38.000 0.097 0.000 1.288 281 I HN 0.456 nan 8.210 nan 0.000 0.444 282 Y N 4.409 124.878 120.300 0.282 0.000 2.576 282 Y HA 0.796 5.231 4.550 -0.191 0.000 0.346 282 Y C -1.006 174.955 175.900 0.102 0.000 1.018 282 Y CA -1.784 56.504 58.100 0.312 0.000 1.050 282 Y CB 1.447 40.006 38.460 0.166 0.000 1.280 282 Y HN 0.337 nan 8.280 nan 0.000 0.474 283 M N 4.286 123.967 119.600 0.136 0.000 2.289 283 M HA 0.201 4.566 4.480 -0.192 0.000 0.354 283 M C -0.927 175.560 176.300 0.311 0.000 1.210 283 M CA -0.546 54.576 55.300 -0.296 0.000 1.174 283 M CB -0.085 31.967 32.600 -0.913 0.000 1.297 283 M HN 0.851 nan 8.290 nan 0.000 0.423 284 D N 0.725 121.444 120.400 0.532 0.000 2.346 284 D HA -0.111 4.414 4.640 -0.192 0.000 0.236 284 D C 0.821 177.365 176.300 0.407 0.000 1.259 284 D CA 0.021 54.372 54.000 0.585 0.000 0.898 284 D CB 0.911 42.037 40.800 0.543 0.000 1.178 284 D HN 0.602 nan 8.370 nan 0.000 0.457 285 Q N -0.755 119.217 119.800 0.287 0.000 2.049 285 Q HA -0.161 4.064 4.340 -0.192 0.000 0.198 285 Q C 1.994 178.088 176.000 0.157 0.000 0.971 285 Q CA 1.926 57.851 55.803 0.203 0.000 0.833 285 Q CB -0.250 28.575 28.738 0.144 0.000 0.896 285 Q HN 0.799 nan 8.270 nan 0.000 0.434 286 T N -0.580 114.053 114.554 0.132 0.000 2.652 286 T HA -0.141 4.094 4.350 -0.192 0.000 0.267 286 T C 1.891 176.611 174.700 0.034 0.000 1.039 286 T CA 1.067 63.211 62.100 0.073 0.000 1.153 286 T CB -0.230 68.673 68.868 0.059 0.000 0.863 286 T HN 0.021 nan 8.240 nan 0.000 0.428 287 K N 0.697 121.130 120.400 0.055 0.000 2.097 287 K HA 0.130 4.335 4.320 -0.192 0.000 0.205 287 K C -0.052 176.271 176.600 -0.462 0.000 1.050 287 K CA 0.672 56.875 56.287 -0.140 0.000 0.938 287 K CB -0.247 32.267 32.500 0.024 0.000 0.718 287 K HN 0.521 nan 8.250 nan 0.000 0.442 288 F N 1.176 121.158 119.950 0.053 0.000 2.451 288 F HA 0.292 4.704 4.527 -0.192 0.000 0.367 288 F C -2.132 173.692 175.800 0.039 0.000 1.100 288 F CA -2.451 55.562 58.000 0.023 0.000 1.171 288 F CB 1.465 40.470 39.000 0.008 0.000 1.405 288 F HN -0.178 nan 8.300 nan 0.000 0.482 289 P HA 0.056 nan 4.420 nan 0.000 0.246 289 P C -0.257 177.111 177.300 0.114 0.000 1.675 289 P CA 0.591 63.741 63.100 0.083 0.000 0.908 289 P CB -0.366 31.344 31.700 0.017 0.000 1.890 290 I N -0.471 120.205 120.570 0.177 0.000 2.342 290 I HA 0.058 4.113 4.170 -0.192 0.000 0.291 290 I C 1.875 178.081 176.117 0.150 0.000 1.010 290 I CA -0.434 60.993 61.300 0.212 0.000 1.308 290 I CB 1.682 39.834 38.000 0.254 0.000 1.400 290 I HN -0.070 nan 8.210 nan 0.000 0.488 291 V N 5.976 125.967 119.914 0.128 0.000 2.282 291 V HA -0.247 3.758 4.120 -0.192 0.000 0.249 291 V C 1.210 177.351 176.094 0.078 0.000 1.057 291 V CA 1.994 64.347 62.300 0.088 0.000 1.032 291 V CB -0.303 31.563 31.823 0.071 0.000 0.645 291 V HN 0.952 nan 8.190 nan 0.000 0.447 292 N N 0.075 118.820 118.700 0.074 0.000 2.470 292 N HA 0.329 4.954 4.740 -0.192 0.000 0.268 292 N C 0.182 175.744 175.510 0.087 0.000 1.136 292 N CA 0.762 53.851 53.050 0.065 0.000 0.961 292 N CB 1.333 39.846 38.487 0.043 0.000 1.067 292 N HN 0.378 nan 8.380 nan 0.000 0.468 293 A N 3.517 126.385 122.820 0.080 0.000 2.348 293 A HA 0.162 4.367 4.320 -0.192 0.000 0.224 293 A C 0.853 178.490 177.584 0.089 0.000 1.227 293 A CA -0.042 52.048 52.037 0.089 0.000 0.885 293 A CB 0.069 19.114 19.000 0.075 0.000 0.933 293 A HN 0.695 nan 8.150 nan 0.000 0.506 294 E N -0.322 119.928 120.200 0.083 0.000 2.419 294 E HA 0.115 4.350 4.350 -0.192 0.000 0.190 294 E C -0.628 176.038 176.600 0.110 0.000 1.040 294 E CA -0.148 56.303 56.400 0.085 0.000 0.900 294 E CB 0.262 30.002 29.700 0.066 0.000 1.054 294 E HN 0.438 nan 8.360 nan 0.000 0.462 295 L N 1.814 123.116 121.223 0.132 0.000 2.326 295 L HA 0.168 4.393 4.340 -0.192 0.000 0.278 295 L C -0.059 176.965 176.870 0.257 0.000 1.092 295 L CA -0.279 54.664 54.840 0.172 0.000 0.810 295 L CB 1.179 43.331 42.059 0.154 0.000 1.153 295 L HN -0.143 nan 8.230 nan 0.000 0.439 296 S N 3.958 119.836 115.700 0.297 0.000 2.532 296 S HA 0.831 5.186 4.470 -0.192 0.000 0.301 296 S C -0.570 174.303 174.600 0.454 0.000 1.083 296 S CA -0.725 57.681 58.200 0.343 0.000 1.025 296 S CB 1.417 64.749 63.200 0.220 0.000 1.056 296 S HN 0.479 nan 8.310 nan 0.000 0.494 297 F N -0.390 119.610 119.950 0.084 0.000 2.598 297 F HA 0.845 5.257 4.527 -0.192 0.000 0.327 297 F C -0.870 174.751 175.800 -0.298 0.000 1.057 297 F CA -2.396 55.602 58.000 -0.004 0.000 0.957 297 F CB 0.427 39.444 39.000 0.030 0.000 1.278 297 F HN 0.564 nan 8.300 nan 0.000 0.484 298 F N 1.208 120.778 119.950 -0.634 0.000 2.394 298 F HA 0.805 5.217 4.527 -0.192 0.000 0.340 298 F C 0.066 175.365 175.800 -0.834 0.000 1.105 298 F CA -0.911 56.425 58.000 -1.107 0.000 1.124 298 F CB 1.127 39.184 39.000 -1.572 0.000 1.145 298 F HN 0.811 nan 8.300 nan 0.000 0.505 299 G N 3.444 111.125 108.800 -1.865 0.000 2.735 299 G HA2 0.273 4.118 3.960 -0.192 0.000 0.301 299 G HA3 0.273 4.118 3.960 -0.192 0.000 0.301 299 G C -0.753 173.028 174.900 -1.865 0.000 1.279 299 G CA -0.244 43.715 45.100 -1.901 0.000 1.019 299 G HN 0.756 nan 8.290 nan 0.000 0.497 300 H N -0.650 117.659 119.070 -1.269 0.000 2.570 300 H HA 0.378 4.819 4.556 -0.192 0.000 0.268 300 H C 1.901 177.081 175.328 -0.246 0.000 1.175 300 H CA 1.792 57.442 56.048 -0.664 0.000 1.686 300 H CB 0.613 30.115 29.762 -0.433 0.000 1.456 300 H HN 1.154 nan 8.280 nan 0.000 0.592 301 A N 0.247 123.171 122.820 0.174 0.000 3.526 301 A HA -0.231 3.974 4.320 -0.192 0.000 0.254 301 A C 0.593 178.333 177.584 0.259 0.000 1.109 301 A CA 1.200 53.351 52.037 0.191 0.000 1.395 301 A CB -2.998 16.087 19.000 0.143 0.000 1.057 301 A HN 0.775 nan 8.150 nan 0.000 0.901 302 H N -0.265 118.952 119.070 0.246 0.000 2.723 302 H HA 0.467 4.907 4.556 -0.192 0.000 0.294 302 H C 0.192 175.447 175.328 -0.122 0.000 1.079 302 H CA -0.489 55.567 56.048 0.012 0.000 1.411 302 H CB 0.535 30.285 29.762 -0.020 0.000 1.439 302 H HN 0.453 nan 8.280 nan 0.000 0.474 303 L N 6.737 127.922 121.223 -0.064 0.000 2.650 303 L HA 0.231 4.456 4.340 -0.192 0.000 0.239 303 L C 0.239 176.905 176.870 -0.340 0.000 1.412 303 L CA 0.786 55.522 54.840 -0.173 0.000 1.219 303 L CB -0.859 41.181 42.059 -0.032 0.000 1.534 303 L HN 0.883 nan 8.230 nan 0.000 0.430 304 G N -0.909 107.458 108.800 -0.722 0.000 2.510 304 G HA2 0.376 4.221 3.960 -0.192 0.000 0.277 304 G HA3 0.376 4.221 3.960 -0.192 0.000 0.277 304 G C -1.165 173.509 174.900 -0.377 0.000 1.223 304 G CA 0.013 44.791 45.100 -0.536 0.000 0.887 304 G HN 0.083 nan 8.290 nan 0.000 0.485 305 T N -0.818 113.667 114.554 -0.116 0.000 2.928 305 T HA 0.701 4.936 4.350 -0.192 0.000 0.296 305 T C 0.220 174.947 174.700 0.044 0.000 1.000 305 T CA 1.436 63.578 62.100 0.069 0.000 0.989 305 T CB 0.545 69.564 68.868 0.252 0.000 1.005 305 T HN 2.616 nan 8.240 nan 0.000 0.442 306 G N 3.868 112.744 108.800 0.126 0.000 2.728 306 G HA2 -0.088 3.756 3.960 -0.192 0.000 0.294 306 G HA3 -0.088 3.756 3.960 -0.192 0.000 0.294 306 G C -0.521 174.397 174.900 0.029 0.000 1.342 306 G CA -0.291 44.845 45.100 0.059 0.000 0.866 306 G HN 0.953 nan 8.290 nan 0.000 0.534 307 D N 1.063 121.440 120.400 -0.038 0.000 2.586 307 D HA 0.095 4.620 4.640 -0.192 0.000 0.234 307 D C -0.595 175.506 176.300 -0.331 0.000 1.132 307 D CA -0.124 53.814 54.000 -0.103 0.000 0.860 307 D CB 0.979 41.783 40.800 0.006 0.000 1.159 307 D HN 0.198 nan 8.370 nan 0.000 0.490 308 P HA -0.019 nan 4.420 nan 0.000 0.258 308 P C -0.343 176.365 177.300 -0.988 0.000 1.403 308 P CA 0.409 62.844 63.100 -1.109 0.000 0.826 308 P CB -0.444 30.186 31.700 -1.782 0.000 1.414 309 Y N -1.664 118.578 120.300 -0.097 0.000 2.666 309 Y HA 0.182 4.617 4.550 -0.192 0.000 0.260 309 Y C 1.277 177.209 175.900 0.053 0.000 1.089 309 Y CA -0.232 57.869 58.100 0.002 0.000 1.246 309 Y CB 0.518 38.990 38.460 0.022 0.000 1.353 309 Y HN -0.038 nan 8.280 nan 0.000 0.558 310 T N 0.357 114.840 114.554 -0.118 0.000 3.624 310 T HA 0.283 4.518 4.350 -0.192 0.000 0.244 310 T C -3.103 171.117 174.700 -0.800 0.000 1.063 310 T CA -2.235 59.478 62.100 -0.644 0.000 1.252 310 T CB 0.214 68.846 68.868 -0.393 0.000 1.021 310 T HN -0.155 nan 8.240 nan 0.000 0.590 311 P HA 0.326 nan 4.420 nan 0.000 0.267 311 P C 1.144 178.315 177.300 -0.214 0.000 1.328 311 P CA 0.906 63.813 63.100 -0.322 0.000 0.990 311 P CB 0.209 31.838 31.700 -0.118 0.000 1.168 312 G N 3.759 112.412 108.800 -0.245 0.000 2.317 312 G HA2 -0.246 3.599 3.960 -0.192 0.000 0.227 312 G HA3 -0.246 3.599 3.960 -0.192 0.000 0.227 312 G C -0.176 174.799 174.900 0.125 0.000 1.042 312 G CA 0.072 45.209 45.100 0.063 0.000 0.623 312 G HN 0.569 nan 8.290 nan 0.000 0.509 313 F N 0.445 120.383 119.950 -0.020 0.000 2.508 313 F HA 0.871 5.282 4.527 -0.193 0.000 0.325 313 F C -2.671 173.063 175.800 -0.110 0.000 1.090 313 F CA -3.398 54.566 58.000 -0.059 0.000 0.945 313 F CB 1.141 40.104 39.000 -0.062 0.000 1.156 313 F HN -0.053 nan 8.300 nan 0.000 0.463 314 P HA 0.141 nan 4.420 nan 0.000 0.271 314 P C -0.553 176.537 177.300 -0.350 0.000 1.233 314 P CA -0.195 62.782 63.100 -0.206 0.000 0.789 314 P CB 0.858 32.478 31.700 -0.133 0.000 0.951 315 S N 0.374 115.924 115.700 -0.248 0.000 2.681 315 S HA 0.615 4.970 4.470 -0.192 0.000 0.270 315 S C -0.269 174.148 174.600 -0.304 0.000 1.209 315 S CA -0.095 58.036 58.200 -0.116 0.000 0.988 315 S CB 0.210 63.491 63.200 0.136 0.000 1.006 315 S HN 0.266 nan 8.310 nan 0.000 0.558 316 F N -0.127 119.965 119.950 0.237 0.000 3.255 316 F HA 0.488 4.900 4.527 -0.191 0.000 0.204 316 F C 1.033 176.925 175.800 0.154 0.000 1.613 316 F CA -1.189 56.920 58.000 0.183 0.000 0.925 316 F CB -0.262 38.817 39.000 0.131 0.000 1.893 316 F HN 0.508 nan 8.300 nan 0.000 0.306 317 N N -1.012 117.878 118.700 0.316 0.000 2.495 317 N HA 0.062 4.687 4.740 -0.192 0.000 0.294 317 N C 0.515 176.147 175.510 0.203 0.000 1.276 317 N CA -0.376 52.729 53.050 0.091 0.000 0.973 317 N CB 0.612 39.099 38.487 0.000 0.000 1.143 317 N HN 0.460 nan 8.380 nan 0.000 0.589 318 H N -0.047 119.054 119.070 0.051 0.000 2.516 318 H HA -0.011 4.430 4.556 -0.192 0.000 0.284 318 H C 1.687 177.025 175.328 0.017 0.000 0.999 318 H CA 1.712 57.791 56.048 0.051 0.000 1.303 318 H CB -0.239 29.540 29.762 0.028 0.000 1.452 318 H HN 0.711 nan 8.280 nan 0.000 0.530 319 T N -1.284 113.421 114.554 0.253 0.000 2.737 319 T HA -0.181 4.054 4.350 -0.192 0.000 0.269 319 T C 1.148 175.900 174.700 0.085 0.000 1.040 319 T CA 1.069 63.259 62.100 0.149 0.000 1.142 319 T CB -0.070 68.827 68.868 0.048 0.000 0.861 319 T HN 0.374 nan 8.240 nan 0.000 0.456 320 Q N -0.506 119.336 119.800 0.070 0.000 2.312 320 Q HA 0.442 4.667 4.340 -0.192 0.000 0.263 320 Q C -1.205 174.849 176.000 0.091 0.000 0.995 320 Q CA -1.134 54.681 55.803 0.021 0.000 0.853 320 Q CB 0.590 29.299 28.738 -0.049 0.000 1.300 320 Q HN 0.314 nan 8.270 nan 0.000 0.448 321 F N 4.871 124.732 119.950 -0.148 0.000 2.572 321 F HA -0.135 4.277 4.527 -0.190 0.000 0.282 321 F C -2.266 173.486 175.800 -0.080 0.000 1.047 321 F CA 0.463 58.405 58.000 -0.097 0.000 1.022 321 F CB 0.165 39.116 39.000 -0.082 0.000 1.226 321 F HN 0.545 nan 8.300 nan 0.000 0.827 322 P HA 0.312 nan 4.420 nan 0.000 0.279 322 P C -2.238 174.750 177.300 -0.521 0.000 1.819 322 P CA -0.885 61.906 63.100 -0.515 0.000 1.258 322 P CB 0.366 31.710 31.700 -0.594 0.000 1.656 323 P HA -0.008 nan 4.420 nan 0.000 0.267 323 P C 1.441 178.467 177.300 -0.455 0.000 1.195 323 P CA 0.495 63.347 63.100 -0.414 0.000 0.773 323 P CB 0.579 32.054 31.700 -0.375 0.000 0.837 324 S N 1.143 116.674 115.700 -0.283 0.000 2.326 324 S HA -0.030 4.325 4.470 -0.192 0.000 0.211 324 S C 0.952 175.439 174.600 -0.189 0.000 1.031 324 S CA 1.030 59.087 58.200 -0.240 0.000 0.985 324 S CB -0.107 63.040 63.200 -0.087 0.000 0.961 324 S HN 0.662 nan 8.310 nan 0.000 0.436 325 R N -1.709 118.845 120.500 0.089 0.000 4.463 325 R HA 0.263 4.488 4.340 -0.192 0.000 0.244 325 R C 0.231 176.660 176.300 0.215 0.000 0.918 325 R CA 0.511 56.857 56.100 0.410 0.000 0.668 325 R CB -0.777 29.766 30.300 0.405 0.000 1.969 325 R HN 0.382 nan 8.270 nan 0.000 0.368 326 S N -0.739 115.057 115.700 0.160 0.000 3.011 326 S HA -0.145 4.209 4.470 -0.192 0.000 0.278 326 S C -0.000 174.644 174.600 0.074 0.000 1.300 326 S CA 1.430 59.687 58.200 0.095 0.000 1.248 326 S CB -1.274 61.974 63.200 0.080 0.000 1.517 326 S HN 0.588 nan 8.310 nan 0.000 0.685 327 S N 1.135 116.878 115.700 0.073 0.000 3.811 327 S HA 0.465 4.820 4.470 -0.192 0.000 0.205 327 S C 1.206 175.812 174.600 0.009 0.000 1.445 327 S CA 0.391 58.620 58.200 0.049 0.000 1.097 327 S CB 0.047 63.293 63.200 0.077 0.000 1.350 327 S HN 1.418 nan 8.310 nan 0.000 0.471 328 G N 0.675 109.499 108.800 0.040 0.000 2.135 328 G HA2 -0.182 3.663 3.960 -0.192 0.000 0.183 328 G HA3 -0.182 3.663 3.960 -0.192 0.000 0.183 328 G C -0.397 174.563 174.900 0.100 0.000 1.004 328 G CA -0.681 44.465 45.100 0.076 0.000 0.677 328 G HN 0.473 nan 8.290 nan 0.000 0.512 329 L N -0.552 120.700 121.223 0.050 0.000 2.334 329 L HA 0.631 4.856 4.340 -0.192 0.000 0.273 329 L C -0.361 176.562 176.870 0.087 0.000 1.013 329 L CA -1.995 52.882 54.840 0.061 0.000 0.816 329 L CB 1.244 43.317 42.059 0.023 0.000 1.278 329 L HN -0.111 nan 8.230 nan 0.000 0.431 330 P HA -0.334 nan 4.420 nan 0.000 0.217 330 P C 0.521 177.868 177.300 0.078 0.000 0.937 330 P CA 2.199 65.355 63.100 0.092 0.000 1.028 330 P CB -0.009 31.755 31.700 0.108 0.000 0.735 331 N N -4.959 113.791 118.700 0.083 0.000 2.967 331 N HA -0.126 4.499 4.740 -0.192 0.000 0.241 331 N C -1.177 174.370 175.510 0.062 0.000 0.983 331 N CA 0.598 53.690 53.050 0.070 0.000 0.918 331 N CB -1.269 37.254 38.487 0.061 0.000 1.109 331 N HN 0.032 nan 8.380 nan 0.000 0.567 332 I N 0.825 121.435 120.570 0.067 0.000 2.548 332 I HA 0.375 4.430 4.170 -0.192 0.000 0.287 332 I C -2.328 173.828 176.117 0.065 0.000 1.103 332 I CA -1.917 59.419 61.300 0.060 0.000 1.049 332 I CB 1.798 39.832 38.000 0.056 0.000 1.232 332 I HN -0.095 nan 8.210 nan 0.000 0.429 333 P HA 0.088 nan 4.420 nan 0.000 0.264 333 P C -0.673 176.663 177.300 0.059 0.000 1.193 333 P CA 0.156 63.292 63.100 0.059 0.000 0.763 333 P CB 1.092 32.821 31.700 0.048 0.000 0.810 334 V N 4.229 124.179 119.914 0.061 0.000 2.531 334 V HA 0.383 4.388 4.120 -0.192 0.000 0.301 334 V C -0.048 176.068 176.094 0.036 0.000 1.034 334 V CA -0.385 61.950 62.300 0.059 0.000 0.865 334 V CB 1.556 33.423 31.823 0.073 0.000 0.995 334 V HN 0.491 nan 8.190 nan 0.000 0.424 335 Q N 2.363 122.180 119.800 0.029 0.000 2.323 335 Q HA 0.493 4.717 4.340 -0.192 0.000 0.271 335 Q C -0.511 175.462 176.000 -0.045 0.000 1.048 335 Q CA -0.177 55.622 55.803 -0.007 0.000 0.792 335 Q CB 2.173 30.915 28.738 0.006 0.000 1.280 335 Q HN 0.785 nan 8.270 nan 0.000 0.441 336 T N 3.594 118.051 114.554 -0.162 0.000 2.884 336 T HA 0.594 4.829 4.350 -0.192 0.000 0.298 336 T C -0.607 173.958 174.700 -0.226 0.000 0.998 336 T CA -0.078 61.808 62.100 -0.358 0.000 1.124 336 T CB 0.029 68.382 68.868 -0.857 0.000 0.931 336 T HN 0.488 nan 8.240 nan 0.000 0.531 337 I N 3.285 123.799 120.570 -0.094 0.000 2.608 337 I HA 0.378 4.433 4.170 -0.192 0.000 0.295 337 I C 0.168 176.388 176.117 0.171 0.000 1.049 337 I CA -0.319 61.002 61.300 0.035 0.000 1.063 337 I CB 2.158 40.189 38.000 0.052 0.000 1.248 337 I HN 0.600 nan 8.210 nan 0.000 0.424 338 S N 4.567 120.344 115.700 0.129 0.000 2.564 338 S HA 0.207 4.562 4.470 -0.192 0.000 0.278 338 S C 1.525 176.193 174.600 0.113 0.000 1.333 338 S CA -0.081 58.224 58.200 0.175 0.000 1.048 338 S CB 0.505 63.780 63.200 0.125 0.000 0.900 338 S HN 0.677 nan 8.310 nan 0.000 0.505 339 R N 3.371 123.954 120.500 0.138 0.000 2.113 339 R HA -0.195 4.030 4.340 -0.192 0.000 0.244 339 R C 2.245 178.527 176.300 -0.031 0.000 1.142 339 R CA 2.078 58.210 56.100 0.054 0.000 0.953 339 R CB -0.946 29.423 30.300 0.114 0.000 0.860 339 R HN 0.810 nan 8.270 nan 0.000 0.438 340 A N 0.607 123.437 122.820 0.017 0.000 1.873 340 A HA -0.217 3.987 4.320 -0.192 0.000 0.218 340 A C 2.424 179.982 177.584 -0.044 0.000 1.193 340 A CA 2.145 54.184 52.037 0.003 0.000 0.629 340 A CB -1.129 17.892 19.000 0.034 0.000 0.826 340 A HN 0.599 nan 8.150 nan 0.000 0.447 341 A N -0.417 122.377 122.820 -0.044 0.000 1.908 341 A HA 0.131 4.336 4.320 -0.192 0.000 0.218 341 A C 2.522 179.970 177.584 -0.225 0.000 1.181 341 A CA 2.283 54.271 52.037 -0.082 0.000 0.627 341 A CB -1.061 17.912 19.000 -0.046 0.000 0.818 341 A HN 1.176 nan 8.150 nan 0.000 0.445 342 A N -0.225 122.391 122.820 -0.339 0.000 1.908 342 A HA -0.178 4.027 4.320 -0.192 0.000 0.218 342 A C 1.921 179.018 177.584 -0.812 0.000 1.181 342 A CA 1.718 53.291 52.037 -0.775 0.000 0.627 342 A CB -0.493 17.869 19.000 -1.063 0.000 0.818 342 A HN 0.511 nan 8.150 nan 0.000 0.445 343 E N 0.341 120.338 120.200 -0.339 0.000 2.048 343 E HA -0.262 3.973 4.350 -0.192 0.000 0.202 343 E C 1.955 178.498 176.600 -0.096 0.000 1.021 343 E CA 1.884 58.231 56.400 -0.088 0.000 0.825 343 E CB -0.474 29.216 29.700 -0.017 0.000 0.756 343 E HN 0.662 nan 8.360 nan 0.000 0.454 344 K N 0.430 120.764 120.400 -0.110 0.000 2.074 344 K HA -0.130 4.075 4.320 -0.192 0.000 0.209 344 K C 2.248 178.789 176.600 -0.098 0.000 1.048 344 K CA 0.886 57.135 56.287 -0.063 0.000 0.926 344 K CB -0.195 32.288 32.500 -0.028 0.000 0.713 344 K HN 0.020 nan 8.250 nan 0.000 0.444 345 L N 0.081 121.162 121.223 -0.235 0.000 1.990 345 L HA -0.193 4.032 4.340 -0.192 0.000 0.213 345 L C 2.246 179.046 176.870 -0.116 0.000 1.072 345 L CA 1.914 56.612 54.840 -0.236 0.000 0.755 345 L CB -1.127 40.680 42.059 -0.419 0.000 0.889 345 L HN 0.235 nan 8.230 nan 0.000 0.432 346 F N -0.057 119.845 119.950 -0.081 0.000 2.202 346 F HA -0.193 4.219 4.527 -0.192 0.000 0.301 346 F C 2.493 178.272 175.800 -0.035 0.000 1.082 346 F CA 0.551 58.509 58.000 -0.070 0.000 1.313 346 F CB -0.752 38.182 39.000 -0.108 0.000 1.024 346 F HN 0.216 nan 8.300 nan 0.000 0.495 347 G N -0.060 108.820 108.800 0.134 0.000 2.450 347 G HA2 -0.264 3.581 3.960 -0.192 0.000 0.220 347 G HA3 -0.264 3.581 3.960 -0.192 0.000 0.220 347 G C 0.834 175.773 174.900 0.065 0.000 1.130 347 G CA 0.715 45.864 45.100 0.081 0.000 0.760 347 G HN 0.419 nan 8.290 nan 0.000 0.557 348 N N 0.241 118.976 118.700 0.058 0.000 2.546 348 N HA 0.357 4.982 4.740 -0.192 0.000 0.286 348 N C -0.684 174.865 175.510 0.066 0.000 1.259 348 N CA -0.127 52.952 53.050 0.049 0.000 0.939 348 N CB 0.351 38.856 38.487 0.031 0.000 1.243 348 N HN 0.248 nan 8.380 nan 0.000 0.511 349 M N -0.172 119.481 119.600 0.089 0.000 2.326 349 M HA 0.192 4.557 4.480 -0.192 0.000 0.292 349 M C 0.797 177.143 176.300 0.077 0.000 1.081 349 M CA -0.471 54.889 55.300 0.101 0.000 0.919 349 M CB 3.042 35.739 32.600 0.162 0.000 1.634 349 M HN 0.005 nan 8.290 nan 0.000 0.451 350 E N 2.263 122.502 120.200 0.065 0.000 2.033 350 E HA 0.070 4.305 4.350 -0.192 0.000 0.189 350 E C 1.014 177.638 176.600 0.039 0.000 0.979 350 E CA 0.638 57.066 56.400 0.047 0.000 0.802 350 E CB 0.176 29.902 29.700 0.044 0.000 0.763 350 E HN 0.920 nan 8.360 nan 0.000 0.449 351 G N 0.603 109.436 108.800 0.054 0.000 2.902 351 G HA2 -0.088 3.757 3.960 -0.192 0.000 0.240 351 G HA3 -0.088 3.757 3.960 -0.192 0.000 0.240 351 G C -0.659 174.246 174.900 0.008 0.000 1.244 351 G CA 0.140 45.265 45.100 0.041 0.000 0.862 351 G HN 0.290 nan 8.290 nan 0.000 0.603 352 D N -1.444 118.941 120.400 -0.026 0.000 2.629 352 D HA 0.282 4.807 4.640 -0.192 0.000 0.250 352 D C -0.227 176.009 176.300 -0.107 0.000 1.126 352 D CA -0.566 53.395 54.000 -0.065 0.000 0.852 352 D CB 1.230 41.987 40.800 -0.072 0.000 1.335 352 D HN 0.399 nan 8.370 nan 0.000 0.518 353 c N 5.190 123.720 118.600 -0.116 0.000 2.590 353 c HA 0.224 4.679 4.570 -0.192 0.000 0.411 353 c C -1.743 172.189 174.090 -0.264 0.000 1.420 353 c CA -0.735 55.504 56.329 -0.151 0.000 1.643 353 c CB -0.658 41.798 42.510 -0.090 0.000 2.528 353 c HN 0.553 nan 8.230 nan 0.000 0.606 354 P HA 0.121 nan 4.420 nan 0.000 0.272 354 P C 0.379 177.444 177.300 -0.393 0.000 1.240 354 P CA 0.040 62.800 63.100 -0.566 0.000 0.791 354 P CB 0.578 31.673 31.700 -1.008 0.000 0.978 355 S N -0.466 115.068 115.700 -0.277 0.000 2.503 355 S HA -0.091 4.264 4.470 -0.192 0.000 0.217 355 S C 1.529 176.069 174.600 -0.100 0.000 0.999 355 S CA 0.461 58.576 58.200 -0.142 0.000 0.914 355 S CB -0.735 62.401 63.200 -0.107 0.000 0.782 355 S HN 0.446 nan 8.310 nan 0.000 0.520 356 D N 0.815 121.103 120.400 -0.186 0.000 2.116 356 D HA -0.143 4.382 4.640 -0.192 0.000 0.193 356 D C -0.050 176.359 176.300 0.182 0.000 0.998 356 D CA 0.722 54.687 54.000 -0.058 0.000 0.836 356 D CB -0.158 40.517 40.800 -0.208 0.000 0.951 356 D HN 0.568 nan 8.370 nan 0.000 0.449 357 W N 1.690 122.862 121.300 -0.215 0.000 2.591 357 W HA 0.053 4.599 4.660 -0.191 0.000 0.330 357 W C 0.646 177.054 176.519 -0.186 0.000 1.435 357 W CA -1.050 56.132 57.345 -0.272 0.000 1.350 357 W CB 0.167 29.457 29.460 -0.284 0.000 1.434 357 W HN -0.167 nan 8.180 nan 0.000 0.553 358 K N 3.346 123.787 120.400 0.069 0.000 2.360 358 K HA 0.060 4.265 4.320 -0.192 0.000 0.225 358 K C 0.361 176.963 176.600 0.003 0.000 1.246 358 K CA 0.257 56.566 56.287 0.037 0.000 1.198 358 K CB -0.197 32.333 32.500 0.051 0.000 1.348 358 K HN 0.324 nan 8.250 nan 0.000 0.232 359 T N -0.807 113.762 114.554 0.025 0.000 2.619 359 T HA 0.331 4.566 4.350 -0.192 0.000 0.244 359 T C -0.906 173.812 174.700 0.030 0.000 0.893 359 T CA -0.730 61.383 62.100 0.022 0.000 1.093 359 T CB 1.084 69.981 68.868 0.048 0.000 1.567 359 T HN 0.161 nan 8.240 nan 0.000 0.549 360 D N -0.002 120.420 120.400 0.036 0.000 2.661 360 D HA 0.466 4.991 4.640 -0.192 0.000 0.228 360 D C -0.279 176.024 176.300 0.004 0.000 1.210 360 D CA -0.264 53.748 54.000 0.019 0.000 0.826 360 D CB 1.820 42.637 40.800 0.028 0.000 1.542 360 D HN 0.617 nan 8.370 nan 0.000 0.447 361 S N 0.664 116.355 115.700 -0.015 0.000 2.545 361 S HA 0.048 4.402 4.470 -0.192 0.000 0.268 361 S C 0.651 175.223 174.600 -0.047 0.000 1.369 361 S CA 1.199 59.377 58.200 -0.037 0.000 1.001 361 S CB 0.215 63.400 63.200 -0.026 0.000 0.838 361 S HN 0.769 nan 8.310 nan 0.000 0.520 362 T N -1.874 112.634 114.554 -0.076 0.000 8.460 362 T HA -0.208 4.027 4.350 -0.192 0.000 0.312 362 T C 0.609 175.163 174.700 -0.243 0.000 2.053 362 T CA 0.669 62.721 62.100 -0.080 0.000 3.457 362 T CB -2.455 66.409 68.868 -0.006 0.000 1.500 362 T HN 1.701 nan 8.240 nan 0.000 0.559 363 c N 4.481 122.773 118.600 -0.513 0.000 2.520 363 c HA 0.908 5.363 4.570 -0.192 0.000 0.376 363 c C 1.051 174.789 174.090 -0.586 0.000 1.268 363 c CA -1.063 54.530 56.329 -1.227 0.000 2.414 363 c CB 0.626 42.153 42.510 -1.639 0.000 2.521 363 c HN 0.508 nan 8.230 nan 0.000 0.618 364 R N 1.359 121.558 120.500 -0.501 0.000 2.917 364 R HA 0.556 4.781 4.340 -0.192 0.000 0.220 364 R C 0.226 176.562 176.300 0.060 0.000 1.485 364 R CA -0.801 55.246 56.100 -0.089 0.000 1.037 364 R CB 0.164 30.500 30.300 0.059 0.000 1.929 364 R HN 0.700 nan 8.270 nan 0.000 0.526 365 M N -0.711 118.971 119.600 0.136 0.000 2.532 365 M HA 0.250 4.615 4.480 -0.192 0.000 0.244 365 M C -0.498 175.939 176.300 0.229 0.000 1.390 365 M CA 0.582 56.014 55.300 0.220 0.000 1.132 365 M CB 1.014 33.696 32.600 0.136 0.000 1.466 365 M HN 0.181 nan 8.290 nan 0.000 0.550 366 V N 0.096 120.112 119.914 0.170 0.000 2.971 366 V HA 0.466 4.471 4.120 -0.192 0.000 0.309 366 V C -0.214 175.957 176.094 0.128 0.000 1.130 366 V CA -1.232 61.159 62.300 0.151 0.000 0.964 366 V CB 1.780 33.676 31.823 0.121 0.000 1.029 366 V HN 0.424 nan 8.190 nan 0.000 0.427 367 T N 0.492 115.116 114.554 0.115 0.000 2.903 367 T HA 0.240 4.475 4.350 -0.192 0.000 0.314 367 T C 0.442 175.185 174.700 0.072 0.000 1.078 367 T CA -0.105 62.049 62.100 0.091 0.000 1.114 367 T CB 0.607 69.518 68.868 0.071 0.000 0.987 367 T HN 1.050 nan 8.240 nan 0.000 0.548 368 S N 1.748 117.485 115.700 0.061 0.000 2.515 368 S HA 0.063 4.418 4.470 -0.192 0.000 0.285 368 S C 1.225 175.851 174.600 0.043 0.000 1.265 368 S CA -0.699 57.530 58.200 0.049 0.000 1.079 368 S CB 0.815 64.040 63.200 0.042 0.000 0.877 368 S HN 0.831 nan 8.310 nan 0.000 0.493 369 E N 3.651 123.877 120.200 0.042 0.000 2.172 369 E HA -0.337 3.898 4.350 -0.192 0.000 0.213 369 E C 2.046 178.664 176.600 0.031 0.000 1.051 369 E CA 2.291 58.713 56.400 0.037 0.000 0.860 369 E CB -0.798 28.923 29.700 0.035 0.000 0.755 369 E HN 0.968 nan 8.360 nan 0.000 0.462 370 S N 0.216 115.933 115.700 0.029 0.000 2.421 370 S HA -0.260 4.095 4.470 -0.192 0.000 0.239 370 S C 0.698 175.313 174.600 0.024 0.000 1.054 370 S CA 1.816 60.031 58.200 0.025 0.000 1.035 370 S CB -0.363 62.852 63.200 0.024 0.000 0.840 370 S HN 0.314 nan 8.310 nan 0.000 0.475 371 K N 0.189 120.605 120.400 0.027 0.000 2.579 371 K HA 0.630 4.835 4.320 -0.192 0.000 0.284 371 K C -1.181 175.435 176.600 0.026 0.000 0.990 371 K CA -0.690 55.611 56.287 0.024 0.000 0.880 371 K CB 0.341 32.853 32.500 0.021 0.000 1.488 371 K HN 0.358 nan 8.250 nan 0.000 0.425 372 N N -1.103 117.611 118.700 0.022 0.000 3.002 372 N HA 0.726 5.351 4.740 -0.192 0.000 0.331 372 N C -1.340 174.179 175.510 0.014 0.000 1.384 372 N CA -0.986 52.078 53.050 0.023 0.000 0.780 372 N CB 1.354 39.856 38.487 0.025 0.000 1.492 372 N HN 0.452 nan 8.380 nan 0.000 0.608 373 V N -1.495 118.427 119.914 0.014 0.000 2.823 373 V HA 0.578 4.583 4.120 -0.192 0.000 0.312 373 V C -1.252 174.843 176.094 0.002 0.000 1.072 373 V CA -0.853 61.448 62.300 0.001 0.000 0.937 373 V CB 1.691 33.513 31.823 -0.002 0.000 1.013 373 V HN 0.816 nan 8.190 nan 0.000 0.430 374 K N 4.696 125.090 120.400 -0.009 0.000 2.376 374 K HA 0.613 4.818 4.320 -0.192 0.000 0.257 374 K C -1.694 174.899 176.600 -0.011 0.000 0.939 374 K CA -0.732 55.551 56.287 -0.006 0.000 0.809 374 K CB 1.704 34.198 32.500 -0.010 0.000 1.121 374 K HN 0.616 nan 8.250 nan 0.000 0.425 375 L N 3.522 124.745 121.223 0.001 0.000 2.282 375 L HA 0.464 4.689 4.340 -0.192 0.000 0.288 375 L C -0.905 175.968 176.870 0.005 0.000 1.033 375 L CA 0.329 55.171 54.840 0.002 0.000 0.807 375 L CB 1.757 43.825 42.059 0.015 0.000 1.209 375 L HN 0.658 nan 8.230 nan 0.000 0.423 376 T N 5.651 120.206 114.554 0.001 0.000 2.930 376 T HA 0.595 4.830 4.350 -0.192 0.000 0.313 376 T C -1.261 173.445 174.700 0.010 0.000 1.019 376 T CA -0.404 61.699 62.100 0.004 0.000 1.004 376 T CB 0.294 69.160 68.868 -0.004 0.000 0.987 376 T HN 0.623 nan 8.240 nan 0.000 0.456 377 V N 3.309 123.235 119.914 0.021 0.000 2.409 377 V HA 0.864 4.869 4.120 -0.192 0.000 0.291 377 V C -0.030 176.081 176.094 0.029 0.000 1.020 377 V CA -0.839 61.478 62.300 0.029 0.000 0.848 377 V CB 1.320 33.171 31.823 0.046 0.000 0.990 377 V HN 0.885 nan 8.190 nan 0.000 0.430 378 S N 3.849 119.560 115.700 0.019 0.000 2.516 378 S HA 0.583 4.938 4.470 -0.192 0.000 0.268 378 S C -0.513 174.089 174.600 0.003 0.000 1.251 378 S CA -0.701 57.507 58.200 0.013 0.000 1.153 378 S CB 0.044 63.246 63.200 0.003 0.000 1.009 378 S HN 0.787 nan 8.310 nan 0.000 0.479 379 N N 1.497 120.209 118.700 0.021 0.000 2.335 379 N HA 0.689 5.314 4.740 -0.192 0.000 0.304 379 N C -0.737 174.786 175.510 0.022 0.000 1.135 379 N CA -0.552 52.504 53.050 0.010 0.000 0.817 379 N CB 2.201 40.729 38.487 0.069 0.000 1.294 379 N HN 0.629 nan 8.380 nan 0.000 0.497 380 V N -1.270 118.648 119.914 0.008 0.000 2.876 380 V HA 0.585 4.590 4.120 -0.192 0.000 0.312 380 V C -0.015 176.098 176.094 0.031 0.000 1.085 380 V CA -1.038 61.274 62.300 0.020 0.000 0.945 380 V CB 1.514 33.340 31.823 0.004 0.000 1.017 380 V HN 0.426 nan 8.190 nan 0.000 0.428 381 L N 2.620 123.872 121.223 0.048 0.000 2.452 381 L HA 0.531 4.756 4.340 -0.192 0.000 0.267 381 L C 0.291 177.190 176.870 0.049 0.000 1.188 381 L CA -0.078 54.798 54.840 0.060 0.000 0.821 381 L CB 0.855 42.962 42.059 0.080 0.000 1.102 381 L HN 0.875 nan 8.230 nan 0.000 0.470 382 K N 2.893 123.322 120.400 0.047 0.000 2.731 382 K HA 0.153 4.358 4.320 -0.192 0.000 0.257 382 K C -0.832 175.805 176.600 0.061 0.000 1.032 382 K CA -0.540 55.772 56.287 0.042 0.000 0.983 382 K CB 1.304 33.813 32.500 0.015 0.000 1.248 382 K HN 0.603 nan 8.250 nan 0.000 0.484 383 E N 6.107 126.374 120.200 0.112 0.000 2.415 383 E HA 0.058 4.293 4.350 -0.192 0.000 0.260 383 E C -0.140 176.547 176.600 0.144 0.000 1.016 383 E CA -0.090 56.411 56.400 0.168 0.000 0.924 383 E CB 0.380 30.225 29.700 0.241 0.000 0.961 383 E HN 0.547 nan 8.360 nan 0.000 0.459 384 I N 0.707 121.341 120.570 0.108 0.000 3.170 384 I HA 0.524 4.579 4.170 -0.192 0.000 0.312 384 I C -0.673 175.419 176.117 -0.041 0.000 1.085 384 I CA -1.274 60.050 61.300 0.039 0.000 0.999 384 I CB 1.853 39.833 38.000 -0.033 0.000 1.233 384 I HN 0.259 nan 8.210 nan 0.000 0.467 385 K N 3.214 123.514 120.400 -0.167 0.000 2.404 385 K HA 0.548 4.753 4.320 -0.192 0.000 0.257 385 K C -0.944 175.518 176.600 -0.229 0.000 1.026 385 K CA -0.565 55.445 56.287 -0.462 0.000 0.951 385 K CB 0.854 33.008 32.500 -0.575 0.000 1.203 385 K HN 0.568 nan 8.250 nan 0.000 0.446 386 I N 3.788 124.276 120.570 -0.137 0.000 2.634 386 I HA 0.079 4.134 4.170 -0.192 0.000 0.284 386 I C -0.166 175.967 176.117 0.025 0.000 1.124 386 I CA -0.503 60.799 61.300 0.003 0.000 1.417 386 I CB 0.562 38.623 38.000 0.103 0.000 1.396 386 I HN 0.384 nan 8.210 nan 0.000 0.571 387 L N 6.832 128.083 121.223 0.046 0.000 2.442 387 L HA 0.408 4.633 4.340 -0.192 0.000 0.261 387 L C -0.662 176.231 176.870 0.039 0.000 1.000 387 L CA -0.217 54.647 54.840 0.039 0.000 0.882 387 L CB 0.475 42.531 42.059 -0.004 0.000 1.207 387 L HN 0.465 nan 8.230 nan 0.000 0.443 388 N N 5.347 124.108 118.700 0.103 0.000 2.514 388 N HA 0.398 5.023 4.740 -0.192 0.000 0.277 388 N C -0.739 174.664 175.510 -0.178 0.000 1.126 388 N CA -0.225 52.805 53.050 -0.033 0.000 0.978 388 N CB 1.861 40.449 38.487 0.167 0.000 1.106 388 N HN 0.347 nan 8.380 nan 0.000 0.461 389 I N 3.208 123.510 120.570 -0.446 0.000 2.389 389 I HA 0.349 4.404 4.170 -0.192 0.000 0.288 389 I C 0.098 175.822 176.117 -0.656 0.000 0.999 389 I CA -0.457 60.607 61.300 -0.392 0.000 1.129 389 I CB 0.210 38.033 38.000 -0.296 0.000 1.288 389 I HN 0.289 nan 8.210 nan 0.000 0.444 390 F N 2.873 122.412 119.950 -0.684 0.000 2.476 390 F HA 0.842 5.254 4.527 -0.191 0.000 0.358 390 F C 0.941 176.366 175.800 -0.625 0.000 1.091 390 F CA -0.511 56.929 58.000 -0.934 0.000 1.131 390 F CB 1.196 38.994 39.000 -2.005 0.000 1.653 390 F HN 0.477 nan 8.300 nan 0.000 0.518 391 G N 0.281 108.814 108.800 -0.444 0.000 1.980 391 G HA2 0.456 4.301 3.960 -0.192 0.000 0.198 391 G HA3 0.456 4.301 3.960 -0.192 0.000 0.198 391 G C -1.800 173.129 174.900 0.047 0.000 1.587 391 G CA -0.406 44.587 45.100 -0.178 0.000 0.975 391 G HN 0.846 nan 8.290 nan 0.000 0.682 392 V N 0.372 120.461 119.914 0.293 0.000 3.234 392 V HA 0.916 4.921 4.120 -0.192 0.000 0.317 392 V C 0.150 176.402 176.094 0.263 0.000 1.147 392 V CA -1.466 61.034 62.300 0.334 0.000 1.037 392 V CB 2.089 34.213 31.823 0.501 0.000 1.148 392 V HN 0.762 nan 8.190 nan 0.000 0.455 393 I N 1.081 121.785 120.570 0.223 0.000 2.641 393 I HA 0.356 4.411 4.170 -0.192 0.000 0.275 393 I C -0.302 175.873 176.117 0.096 0.000 1.129 393 I CA -0.756 60.646 61.300 0.170 0.000 1.094 393 I CB 1.240 39.364 38.000 0.208 0.000 1.232 393 I HN 0.664 nan 8.210 nan 0.000 0.503 394 K N 3.085 123.525 120.400 0.067 0.000 2.578 394 K HA 0.047 4.252 4.320 -0.192 0.000 0.279 394 K C 0.663 177.236 176.600 -0.045 0.000 0.983 394 K CA 0.572 56.845 56.287 -0.023 0.000 1.078 394 K CB 0.393 32.855 32.500 -0.063 0.000 0.852 394 K HN 0.648 nan 8.250 nan 0.000 0.490 395 G N 1.589 110.353 108.800 -0.060 0.000 2.563 395 G HA2 0.290 4.135 3.960 -0.192 0.000 0.283 395 G HA3 0.290 4.135 3.960 -0.192 0.000 0.283 395 G C -0.109 174.845 174.900 0.091 0.000 1.309 395 G CA -0.488 44.664 45.100 0.086 0.000 1.022 395 G HN 0.545 nan 8.290 nan 0.000 0.501 396 F N -1.812 118.096 119.950 -0.070 0.000 2.727 396 F HA 0.250 4.659 4.527 -0.196 0.000 0.302 396 F C 1.880 177.657 175.800 -0.038 0.000 1.107 396 F CA -0.019 57.952 58.000 -0.048 0.000 1.277 396 F CB 0.680 39.655 39.000 -0.041 0.000 1.079 396 F HN 0.165 nan 8.300 nan 0.000 0.594 397 V N -1.673 118.321 119.914 0.134 0.000 3.251 397 V HA 0.138 4.143 4.120 -0.192 0.000 0.239 397 V C 0.442 176.532 176.094 -0.007 0.000 1.332 397 V CA 0.255 62.590 62.300 0.058 0.000 1.224 397 V CB 0.579 32.438 31.823 0.059 0.000 1.004 397 V HN 0.010 nan 8.190 nan 0.000 0.464 398 E N 0.354 120.541 120.200 -0.021 0.000 3.582 398 E HA 0.209 4.444 4.350 -0.192 0.000 0.217 398 E C -2.080 174.447 176.600 -0.121 0.000 1.092 398 E CA -1.420 54.915 56.400 -0.108 0.000 1.365 398 E CB 1.090 30.743 29.700 -0.079 0.000 1.278 398 E HN 0.394 nan 8.360 nan 0.000 0.439 399 P HA -0.203 nan 4.420 nan 0.000 0.219 399 P C 0.334 177.475 177.300 -0.265 0.000 1.145 399 P CA 1.268 64.271 63.100 -0.162 0.000 0.813 399 P CB 0.179 31.811 31.700 -0.114 0.000 0.771 400 D N -2.825 117.467 120.400 -0.180 0.000 2.388 400 D HA 0.054 4.579 4.640 -0.192 0.000 0.221 400 D C 0.041 176.427 176.300 0.143 0.000 1.133 400 D CA 0.200 54.184 54.000 -0.026 0.000 0.831 400 D CB -0.252 40.572 40.800 0.040 0.000 0.962 400 D HN 0.373 nan 8.370 nan 0.000 0.502 401 H N 0.005 119.030 119.070 -0.074 0.000 2.638 401 H HA 0.221 4.651 4.556 -0.209 0.000 0.317 401 H C -0.583 174.795 175.328 0.083 0.000 1.006 401 H CA -0.621 55.542 56.048 0.191 0.000 1.222 401 H CB 0.804 30.721 29.762 0.258 0.000 1.419 401 H HN -0.109 nan 8.280 nan 0.000 0.489 402 Y N 1.398 121.828 120.300 0.216 0.000 2.519 402 Y HA 0.353 4.786 4.550 -0.196 0.000 0.324 402 Y C 0.190 175.801 175.900 -0.483 0.000 1.214 402 Y CA -1.052 57.035 58.100 -0.021 0.000 1.260 402 Y CB 1.224 39.716 38.460 0.053 0.000 1.311 402 Y HN 0.250 nan 8.280 nan 0.000 0.505 403 V N 2.256 122.009 119.914 -0.270 0.000 2.320 403 V HA 0.199 4.203 4.120 -0.192 0.000 0.268 403 V C -0.689 175.281 176.094 -0.207 0.000 1.021 403 V CA -0.946 61.075 62.300 -0.464 0.000 0.813 403 V CB 0.518 32.098 31.823 -0.405 0.000 1.054 403 V HN 0.536 nan 8.190 nan 0.000 0.444 404 V N 4.709 124.610 119.914 -0.022 0.000 2.458 404 V HA 0.081 4.086 4.120 -0.192 0.000 0.287 404 V C 0.349 176.382 176.094 -0.102 0.000 1.009 404 V CA 0.230 62.595 62.300 0.109 0.000 1.091 404 V CB 1.108 33.224 31.823 0.489 0.000 0.960 404 V HN 0.560 nan 8.190 nan 0.000 0.476 405 V N 5.678 125.457 119.914 -0.226 0.000 2.293 405 V HA 0.664 4.668 4.120 -0.192 0.000 0.275 405 V C 0.742 176.731 176.094 -0.175 0.000 1.021 405 V CA -0.096 62.015 62.300 -0.315 0.000 0.815 405 V CB 1.086 32.694 31.823 -0.358 0.000 1.025 405 V HN 0.946 nan 8.190 nan 0.000 0.448 406 G N 3.076 111.790 108.800 -0.143 0.000 2.552 406 G HA2 0.858 4.703 3.960 -0.192 0.000 0.324 406 G HA3 0.858 4.703 3.960 -0.192 0.000 0.324 406 G C -0.704 174.227 174.900 0.052 0.000 1.217 406 G CA -0.398 44.778 45.100 0.127 0.000 0.989 406 G HN 1.239 nan 8.290 nan 0.000 0.490 407 A N -0.082 122.770 122.820 0.054 0.000 2.508 407 A HA 0.519 4.724 4.320 -0.192 0.000 0.297 407 A C -0.416 177.226 177.584 0.097 0.000 1.036 407 A CA -0.524 51.547 52.037 0.057 0.000 0.957 407 A CB 0.793 19.770 19.000 -0.040 0.000 1.428 407 A HN 0.896 nan 8.150 nan 0.000 0.393 408 Q N 1.970 121.890 119.800 0.200 0.000 2.304 408 Q HA 0.163 4.388 4.340 -0.192 0.000 0.301 408 Q C 0.730 176.783 176.000 0.089 0.000 1.063 408 Q CA 0.728 56.649 55.803 0.197 0.000 0.947 408 Q CB 0.492 29.339 28.738 0.181 0.000 1.201 408 Q HN 0.762 nan 8.270 nan 0.000 0.389 409 R N 2.811 123.356 120.500 0.076 0.000 2.316 409 R HA 0.052 4.277 4.340 -0.192 0.000 0.201 409 R C -0.204 176.125 176.300 0.048 0.000 0.888 409 R CA 0.473 56.583 56.100 0.017 0.000 1.041 409 R CB 0.460 30.731 30.300 -0.048 0.000 1.115 409 R HN 0.885 nan 8.270 nan 0.000 0.559 410 D N -0.013 120.448 120.400 0.102 0.000 2.432 410 D HA 0.503 5.028 4.640 -0.192 0.000 0.258 410 D C -0.789 175.594 176.300 0.139 0.000 1.146 410 D CA -0.459 53.614 54.000 0.121 0.000 1.015 410 D CB 1.882 42.782 40.800 0.166 0.000 1.107 410 D HN 0.127 nan 8.370 nan 0.000 0.529 411 A N -0.952 121.955 122.820 0.145 0.000 2.590 411 A HA 0.270 4.475 4.320 -0.192 0.000 0.294 411 A C -0.764 176.916 177.584 0.161 0.000 1.046 411 A CA -0.799 51.336 52.037 0.164 0.000 0.684 411 A CB 0.185 19.272 19.000 0.145 0.000 1.279 411 A HN 0.699 nan 8.150 nan 0.000 0.415 412 W N 1.974 123.238 121.300 -0.058 0.000 2.423 412 W HA 0.317 4.861 4.660 -0.192 0.000 0.321 412 W C 1.464 177.958 176.519 -0.042 0.000 1.180 412 W CA 2.777 60.016 57.345 -0.177 0.000 1.322 412 W CB -0.532 28.726 29.460 -0.336 0.000 1.174 412 W HN 0.997 nan 8.180 nan 0.000 0.470 413 G N 0.034 108.926 108.800 0.154 0.000 2.546 413 G HA2 0.086 3.931 3.960 -0.192 0.000 0.239 413 G HA3 0.086 3.931 3.960 -0.192 0.000 0.239 413 G C -1.780 173.131 174.900 0.018 0.000 1.476 413 G CA 0.232 45.314 45.100 -0.030 0.000 1.064 413 G HN 0.093 nan 8.290 nan 0.000 0.561 414 P HA 0.046 nan 4.420 nan 0.000 0.236 414 P C 1.147 178.512 177.300 0.107 0.000 1.177 414 P CA 1.050 64.191 63.100 0.068 0.000 0.773 414 P CB 0.003 31.749 31.700 0.076 0.000 0.878 415 G N 1.238 110.122 108.800 0.141 0.000 2.385 415 G HA2 -0.232 3.613 3.960 -0.192 0.000 0.284 415 G HA3 -0.232 3.613 3.960 -0.192 0.000 0.284 415 G C 1.138 176.109 174.900 0.118 0.000 0.899 415 G CA 0.370 45.559 45.100 0.149 0.000 1.204 415 G HN 0.494 nan 8.290 nan 0.000 0.486 416 A N -0.174 122.727 122.820 0.135 0.000 1.972 416 A HA 0.290 4.494 4.320 -0.192 0.000 0.219 416 A C 2.671 180.295 177.584 0.067 0.000 1.169 416 A CA 2.194 54.309 52.037 0.130 0.000 0.635 416 A CB -0.359 18.758 19.000 0.196 0.000 0.810 416 A HN 1.721 nan 8.150 nan 0.000 0.446 417 A N -0.126 122.699 122.820 0.009 0.000 1.862 417 A HA 0.084 4.289 4.320 -0.192 0.000 0.211 417 A C 2.009 179.563 177.584 -0.051 0.000 1.220 417 A CA 1.628 53.593 52.037 -0.121 0.000 0.616 417 A CB -0.484 18.254 19.000 -0.437 0.000 0.878 417 A HN 0.430 nan 8.150 nan 0.000 0.453 418 K N -0.323 120.081 120.400 0.007 0.000 2.127 418 K HA -0.152 4.053 4.320 -0.192 0.000 0.208 418 K C 1.786 178.421 176.600 0.058 0.000 1.047 418 K CA 2.234 58.553 56.287 0.055 0.000 0.927 418 K CB -0.158 32.416 32.500 0.123 0.000 0.716 418 K HN 0.411 nan 8.250 nan 0.000 0.450 419 S N -2.481 113.254 115.700 0.058 0.000 2.648 419 S HA 0.238 4.593 4.470 -0.192 0.000 0.270 419 S C 1.470 176.086 174.600 0.027 0.000 1.082 419 S CA 0.125 58.355 58.200 0.050 0.000 1.116 419 S CB 0.037 63.279 63.200 0.069 0.000 1.040 419 S HN 0.478 nan 8.310 nan 0.000 0.572 420 G N 2.173 110.996 108.800 0.038 0.000 2.575 420 G HA2 -0.118 3.727 3.960 -0.192 0.000 0.215 420 G HA3 -0.118 3.727 3.960 -0.192 0.000 0.215 420 G C 1.393 176.303 174.900 0.018 0.000 1.262 420 G CA 1.416 46.539 45.100 0.038 0.000 0.807 420 G HN 0.395 nan 8.290 nan 0.000 0.567 421 V N 2.035 121.962 119.914 0.023 0.000 2.277 421 V HA -0.219 3.785 4.120 -0.192 0.000 0.253 421 V C 3.104 179.176 176.094 -0.036 0.000 1.067 421 V CA 2.318 64.620 62.300 0.002 0.000 1.047 421 V CB -1.488 30.338 31.823 0.005 0.000 0.649 421 V HN 0.512 nan 8.190 nan 0.000 0.447 422 G N -0.304 108.478 108.800 -0.029 0.000 2.639 422 G HA2 -0.293 3.552 3.960 -0.192 0.000 0.216 422 G HA3 -0.293 3.552 3.960 -0.192 0.000 0.216 422 G C 1.635 176.501 174.900 -0.057 0.000 1.267 422 G CA 1.686 46.760 45.100 -0.042 0.000 0.801 422 G HN 0.449 nan 8.290 nan 0.000 0.592 423 T N 1.754 116.277 114.554 -0.051 0.000 2.778 423 T HA -0.077 4.157 4.350 -0.192 0.000 0.269 423 T C 2.696 177.349 174.700 -0.079 0.000 1.050 423 T CA 1.701 63.756 62.100 -0.075 0.000 1.137 423 T CB -0.417 68.398 68.868 -0.087 0.000 0.860 423 T HN 0.449 nan 8.240 nan 0.000 0.468 424 A N 1.233 124.012 122.820 -0.068 0.000 1.858 424 A HA -0.022 4.183 4.320 -0.192 0.000 0.216 424 A C 2.305 179.791 177.584 -0.163 0.000 1.190 424 A CA 1.306 53.298 52.037 -0.074 0.000 0.617 424 A CB -0.826 18.146 19.000 -0.046 0.000 0.827 424 A HN 0.484 nan 8.150 nan 0.000 0.443 425 L N -0.835 120.258 121.223 -0.217 0.000 2.017 425 L HA -0.158 4.067 4.340 -0.192 0.000 0.208 425 L C 2.625 179.411 176.870 -0.139 0.000 1.073 425 L CA 1.205 55.868 54.840 -0.296 0.000 0.745 425 L CB -0.591 41.344 42.059 -0.207 0.000 0.894 425 L HN 0.456 nan 8.230 nan 0.000 0.432 426 L N -0.145 121.040 121.223 -0.063 0.000 1.997 426 L HA -0.311 3.914 4.340 -0.192 0.000 0.216 426 L C 2.579 179.452 176.870 0.006 0.000 1.074 426 L CA 1.721 56.573 54.840 0.020 0.000 0.763 426 L CB -0.154 41.914 42.059 0.015 0.000 0.890 426 L HN 0.247 nan 8.230 nan 0.000 0.434 427 L N -0.609 120.606 121.223 -0.012 0.000 1.961 427 L HA -0.242 3.983 4.340 -0.192 0.000 0.210 427 L C 2.743 179.533 176.870 -0.132 0.000 1.072 427 L CA 1.229 56.092 54.840 0.037 0.000 0.749 427 L CB -0.673 41.406 42.059 0.034 0.000 0.889 427 L HN 0.142 nan 8.230 nan 0.000 0.432 428 K N -0.128 120.220 120.400 -0.086 0.000 2.113 428 K HA -0.179 4.026 4.320 -0.192 0.000 0.208 428 K C 2.007 178.548 176.600 -0.099 0.000 1.047 428 K CA 1.271 57.524 56.287 -0.057 0.000 0.928 428 K CB -0.660 31.885 32.500 0.075 0.000 0.716 428 K HN 0.118 nan 8.250 nan 0.000 0.446 429 L N 0.530 121.707 121.223 -0.077 0.000 2.156 429 L HA 0.020 4.244 4.340 -0.192 0.000 0.208 429 L C 2.022 178.929 176.870 0.061 0.000 1.095 429 L CA 1.444 56.342 54.840 0.097 0.000 0.770 429 L CB -0.723 41.456 42.059 0.201 0.000 0.914 429 L HN 0.109 nan 8.230 nan 0.000 0.439 430 A N -1.465 121.075 122.820 -0.466 0.000 1.970 430 A HA -0.184 4.020 4.320 -0.192 0.000 0.216 430 A C 2.235 179.353 177.584 -0.777 0.000 1.170 430 A CA 1.139 52.462 52.037 -1.189 0.000 0.645 430 A CB -0.459 17.549 19.000 -1.653 0.000 0.816 430 A HN 0.548 nan 8.150 nan 0.000 0.447 431 Q N -0.640 118.577 119.800 -0.971 0.000 2.124 431 Q HA -0.175 4.050 4.340 -0.192 0.000 0.202 431 Q C 2.002 177.762 176.000 -0.402 0.000 0.977 431 Q CA 1.816 56.968 55.803 -1.085 0.000 0.850 431 Q CB -0.204 27.930 28.738 -1.007 0.000 0.901 431 Q HN 0.702 nan 8.270 nan 0.000 0.429 432 M N -0.689 118.760 119.600 -0.250 0.000 2.081 432 M HA -0.102 4.262 4.480 -0.192 0.000 0.261 432 M C 1.894 178.092 176.300 -0.171 0.000 1.075 432 M CA 1.415 56.593 55.300 -0.204 0.000 1.133 432 M CB -0.381 32.056 32.600 -0.271 0.000 1.330 432 M HN 0.192 nan 8.290 nan 0.000 0.414 433 F N 1.131 121.124 119.950 0.071 0.000 2.126 433 F HA -0.263 4.151 4.527 -0.190 0.000 0.299 433 F C 3.011 178.919 175.800 0.180 0.000 1.096 433 F CA 1.895 60.031 58.000 0.226 0.000 1.255 433 F CB -1.073 38.149 39.000 0.369 0.000 0.997 433 F HN 0.269 nan 8.300 nan 0.000 0.479 434 S N -0.460 115.373 115.700 0.223 0.000 2.359 434 S HA -0.282 4.073 4.470 -0.192 0.000 0.224 434 S C 1.761 176.434 174.600 0.123 0.000 1.035 434 S CA 1.595 59.887 58.200 0.154 0.000 1.018 434 S CB -0.958 62.288 63.200 0.078 0.000 0.876 434 S HN 0.415 nan 8.310 nan 0.000 0.448 435 D N 1.289 121.726 120.400 0.061 0.000 2.092 435 D HA -0.086 4.439 4.640 -0.192 0.000 0.193 435 D C 2.105 178.447 176.300 0.069 0.000 0.994 435 D CA 1.656 55.684 54.000 0.047 0.000 0.828 435 D CB -0.282 40.515 40.800 -0.005 0.000 0.963 435 D HN 0.366 nan 8.370 nan 0.000 0.450 436 M N -0.386 119.257 119.600 0.072 0.000 2.144 436 M HA -0.179 4.186 4.480 -0.192 0.000 0.260 436 M C 2.154 178.586 176.300 0.220 0.000 1.067 436 M CA 0.907 56.279 55.300 0.121 0.000 1.095 436 M CB -0.180 32.499 32.600 0.131 0.000 1.365 436 M HN 0.056 nan 8.290 nan 0.000 0.406 437 V N 0.155 120.211 119.914 0.237 0.000 2.358 437 V HA -0.230 3.775 4.120 -0.192 0.000 0.246 437 V C 2.324 178.512 176.094 0.156 0.000 1.047 437 V CA 1.201 63.610 62.300 0.182 0.000 1.035 437 V CB -0.509 31.417 31.823 0.172 0.000 0.658 437 V HN 0.370 nan 8.190 nan 0.000 0.452 438 L N -0.265 121.039 121.223 0.134 0.000 2.049 438 L HA -0.018 4.207 4.340 -0.192 0.000 0.203 438 L C 2.341 179.262 176.870 0.086 0.000 1.074 438 L CA 1.920 56.825 54.840 0.109 0.000 0.749 438 L CB -1.245 40.871 42.059 0.095 0.000 0.907 438 L HN 0.331 nan 8.230 nan 0.000 0.439 439 K N -0.414 120.030 120.400 0.072 0.000 2.067 439 K HA -0.037 4.168 4.320 -0.192 0.000 0.203 439 K C 1.371 177.997 176.600 0.043 0.000 1.048 439 K CA 0.858 57.175 56.287 0.050 0.000 0.954 439 K CB 0.076 32.597 32.500 0.035 0.000 0.737 439 K HN 0.242 nan 8.250 nan 0.000 0.444 440 D N -0.249 120.180 120.400 0.048 0.000 2.340 440 D HA 0.021 4.546 4.640 -0.192 0.000 0.220 440 D C 0.946 177.278 176.300 0.053 0.000 1.039 440 D CA 0.806 54.826 54.000 0.034 0.000 0.866 440 D CB 0.713 41.517 40.800 0.006 0.000 0.913 440 D HN 0.442 nan 8.370 nan 0.000 0.523 441 G N 1.552 110.399 108.800 0.078 0.000 2.143 441 G HA2 -0.292 3.553 3.960 -0.192 0.000 0.249 441 G HA3 -0.292 3.553 3.960 -0.192 0.000 0.249 441 G C 0.100 175.051 174.900 0.085 0.000 0.981 441 G CA -0.228 44.910 45.100 0.063 0.000 0.665 441 G HN 0.322 nan 8.290 nan 0.000 0.528 442 F N 2.083 122.001 119.950 -0.054 0.000 2.541 442 F HA 0.515 4.927 4.527 -0.191 0.000 0.378 442 F C 0.689 176.389 175.800 -0.167 0.000 1.068 442 F CA -0.703 57.256 58.000 -0.068 0.000 1.199 442 F CB 0.518 39.521 39.000 0.005 0.000 1.091 442 F HN 0.241 nan 8.300 nan 0.000 0.555 443 Q N 7.859 127.454 119.800 -0.342 0.000 2.842 443 Q HA 0.274 4.499 4.340 -0.192 0.000 0.323 443 Q C -2.350 173.180 176.000 -0.783 0.000 1.111 443 Q CA -2.001 53.184 55.803 -1.032 0.000 1.047 443 Q CB 0.491 28.585 28.738 -1.074 0.000 1.280 443 Q HN 0.461 nan 8.270 nan 0.000 0.475 444 P HA -0.079 nan 4.420 nan 0.000 0.256 444 P C 0.250 177.518 177.300 -0.054 0.000 1.173 444 P CA 0.680 63.556 63.100 -0.373 0.000 0.768 444 P CB 0.863 32.319 31.700 -0.406 0.000 0.758 445 S N 2.753 118.473 115.700 0.033 0.000 2.447 445 S HA -0.057 4.298 4.470 -0.192 0.000 0.233 445 S C 0.762 175.418 174.600 0.093 0.000 1.006 445 S CA 1.071 59.315 58.200 0.073 0.000 0.957 445 S CB -0.124 63.107 63.200 0.053 0.000 0.773 445 S HN 0.429 nan 8.310 nan 0.000 0.507 446 R N 1.132 121.697 120.500 0.107 0.000 2.686 446 R HA 0.366 4.591 4.340 -0.192 0.000 0.283 446 R C -0.493 175.829 176.300 0.035 0.000 0.978 446 R CA -0.387 55.781 56.100 0.112 0.000 0.897 446 R CB 1.806 32.287 30.300 0.302 0.000 1.192 446 R HN 0.211 nan 8.270 nan 0.000 0.457 447 S N 2.403 118.026 115.700 -0.129 0.000 2.579 447 S HA 0.304 4.659 4.470 -0.192 0.000 0.275 447 S C 0.460 174.985 174.600 -0.124 0.000 1.345 447 S CA -0.402 57.684 58.200 -0.190 0.000 1.031 447 S CB 0.514 63.442 63.200 -0.452 0.000 0.892 447 S HN 0.408 nan 8.310 nan 0.000 0.529 448 I N 1.866 122.396 120.570 -0.067 0.000 2.493 448 I HA 0.514 4.569 4.170 -0.192 0.000 0.298 448 I C -0.266 175.784 176.117 -0.111 0.000 0.998 448 I CA -0.748 60.436 61.300 -0.192 0.000 1.137 448 I CB 1.621 39.397 38.000 -0.375 0.000 1.310 448 I HN 0.673 nan 8.210 nan 0.000 0.445 449 I N 5.911 126.367 120.570 -0.191 0.000 2.517 449 I HA 0.385 4.440 4.170 -0.192 0.000 0.280 449 I C -1.263 174.709 176.117 -0.241 0.000 1.061 449 I CA -0.373 60.914 61.300 -0.022 0.000 1.091 449 I CB 0.601 38.772 38.000 0.285 0.000 1.205 449 I HN 0.310 nan 8.210 nan 0.000 0.459 450 F N 6.395 126.229 119.950 -0.195 0.000 2.399 450 F HA 0.685 5.098 4.527 -0.189 0.000 0.342 450 F C 0.748 176.278 175.800 -0.450 0.000 1.106 450 F CA -0.370 57.448 58.000 -0.303 0.000 1.196 450 F CB 1.273 40.036 39.000 -0.395 0.000 1.163 450 F HN 0.485 nan 8.300 nan 0.000 0.547 451 A N 1.467 124.024 122.820 -0.439 0.000 2.437 451 A HA 0.546 4.751 4.320 -0.192 0.000 0.293 451 A C -0.874 175.997 177.584 -1.189 0.000 1.038 451 A CA -0.614 50.724 52.037 -1.164 0.000 0.708 451 A CB 1.375 19.196 19.000 -1.965 0.000 1.251 451 A HN 0.562 nan 8.150 nan 0.000 0.409 452 S N 2.653 117.765 115.700 -0.979 0.000 2.466 452 S HA 0.500 4.855 4.470 -0.192 0.000 0.313 452 S C -0.383 173.821 174.600 -0.661 0.000 1.078 452 S CA -0.434 57.366 58.200 -0.666 0.000 1.115 452 S CB -0.353 62.614 63.200 -0.389 0.000 1.006 452 S HN 0.504 nan 8.310 nan 0.000 0.487 453 W N 2.687 123.895 121.300 -0.153 0.000 2.049 453 W HA 0.544 5.087 4.660 -0.195 0.000 0.356 453 W C 1.045 177.550 176.519 -0.022 0.000 1.323 453 W CA -0.469 56.825 57.345 -0.086 0.000 1.336 453 W CB 0.279 29.736 29.460 -0.006 0.000 1.176 453 W HN 0.491 nan 8.180 nan 0.000 0.623 454 S N -0.474 115.396 115.700 0.285 0.000 2.661 454 S HA 0.540 4.895 4.470 -0.192 0.000 0.285 454 S C -0.007 174.727 174.600 0.222 0.000 1.138 454 S CA -0.096 58.220 58.200 0.193 0.000 0.855 454 S CB 1.130 64.401 63.200 0.119 0.000 1.136 454 S HN 1.562 nan 8.310 nan 0.000 0.484 455 A N 0.127 123.078 122.820 0.217 0.000 2.826 455 A HA -0.149 4.056 4.320 -0.192 0.000 0.274 455 A C 1.366 179.173 177.584 0.372 0.000 1.443 455 A CA 1.707 53.908 52.037 0.273 0.000 0.833 455 A CB -2.287 16.794 19.000 0.135 0.000 1.023 455 A HN 1.607 nan 8.150 nan 0.000 0.600 456 G N -0.980 108.013 108.800 0.322 0.000 2.448 456 G HA2 -0.043 3.802 3.960 -0.192 0.000 0.218 456 G HA3 -0.043 3.802 3.960 -0.192 0.000 0.218 456 G C 0.948 176.016 174.900 0.279 0.000 1.135 456 G CA 1.111 46.379 45.100 0.281 0.000 0.784 456 G HN 0.610 nan 8.290 nan 0.000 0.543 457 D N -0.006 120.566 120.400 0.288 0.000 2.378 457 D HA -0.020 4.505 4.640 -0.192 0.000 0.222 457 D C 0.600 176.787 176.300 -0.188 0.000 0.980 457 D CA 0.481 54.547 54.000 0.110 0.000 0.907 457 D CB -0.021 40.851 40.800 0.120 0.000 0.899 457 D HN 0.376 nan 8.370 nan 0.000 0.527 458 F N -0.617 119.381 119.950 0.080 0.000 2.684 458 F HA 0.337 4.749 4.527 -0.192 0.000 0.298 458 F C 1.455 177.304 175.800 0.081 0.000 1.120 458 F CA -0.273 57.659 58.000 -0.113 0.000 1.332 458 F CB 0.789 39.880 39.000 0.151 0.000 0.986 458 F HN -0.127 nan 8.300 nan 0.000 0.524 459 G N -0.456 108.642 108.800 0.497 0.000 2.173 459 G HA2 -0.184 3.661 3.960 -0.192 0.000 0.174 459 G HA3 -0.184 3.661 3.960 -0.192 0.000 0.174 459 G C 0.642 175.702 174.900 0.266 0.000 1.025 459 G CA -0.190 45.244 45.100 0.556 0.000 0.706 459 G HN 0.213 nan 8.290 nan 0.000 0.499 460 S N -2.703 113.131 115.700 0.223 0.000 3.476 460 S HA -0.332 4.023 4.470 -0.192 0.000 0.309 460 S C 2.113 176.765 174.600 0.087 0.000 1.222 460 S CA 1.325 59.599 58.200 0.123 0.000 0.922 460 S CB -1.799 61.434 63.200 0.054 0.000 1.023 460 S HN 1.545 nan 8.310 nan 0.000 0.591 461 V N 0.639 120.648 119.914 0.157 0.000 2.357 461 V HA -0.349 3.656 4.120 -0.192 0.000 0.257 461 V C 2.664 178.783 176.094 0.041 0.000 1.082 461 V CA 2.638 64.998 62.300 0.100 0.000 1.078 461 V CB -1.529 30.385 31.823 0.152 0.000 0.663 461 V HN 0.771 nan 8.190 nan 0.000 0.455 462 G N -0.736 108.132 108.800 0.113 0.000 2.434 462 G HA2 -0.103 3.742 3.960 -0.192 0.000 0.214 462 G HA3 -0.103 3.742 3.960 -0.192 0.000 0.214 462 G C 1.760 176.745 174.900 0.142 0.000 1.202 462 G CA 0.979 46.187 45.100 0.180 0.000 0.788 462 G HN 0.647 nan 8.290 nan 0.000 0.539 463 A N 0.240 122.995 122.820 -0.109 0.000 1.933 463 A HA 0.007 4.212 4.320 -0.192 0.000 0.218 463 A C 2.538 179.914 177.584 -0.347 0.000 1.175 463 A CA 2.508 54.074 52.037 -0.785 0.000 0.628 463 A CB -0.962 17.091 19.000 -1.579 0.000 0.814 463 A HN 0.328 nan 8.150 nan 0.000 0.444 464 T N 0.293 114.719 114.554 -0.213 0.000 2.674 464 T HA -0.127 4.108 4.350 -0.192 0.000 0.265 464 T C 1.655 176.257 174.700 -0.164 0.000 1.039 464 T CA 1.407 63.392 62.100 -0.193 0.000 1.150 464 T CB -0.310 68.461 68.868 -0.160 0.000 0.864 464 T HN 0.485 nan 8.240 nan 0.000 0.427 465 E N -0.059 120.044 120.200 -0.162 0.000 2.333 465 E HA -0.113 4.122 4.350 -0.192 0.000 0.198 465 E C 1.676 178.243 176.600 -0.055 0.000 1.007 465 E CA 0.516 56.781 56.400 -0.225 0.000 0.845 465 E CB -0.199 29.236 29.700 -0.442 0.000 0.766 465 E HN 0.681 nan 8.360 nan 0.000 0.507 466 W N 1.404 122.663 121.300 -0.069 0.000 2.408 466 W HA -0.085 4.460 4.660 -0.192 0.000 0.311 466 W C 1.922 178.529 176.519 0.146 0.000 1.190 466 W CA 1.024 58.499 57.345 0.217 0.000 1.321 466 W CB -0.528 29.177 29.460 0.408 0.000 1.143 466 W HN -0.062 nan 8.180 nan 0.000 0.501 467 L N 0.616 121.876 121.223 0.061 0.000 2.012 467 L HA -0.266 3.959 4.340 -0.192 0.000 0.210 467 L C 2.408 179.301 176.870 0.038 0.000 1.073 467 L CA 2.039 56.794 54.840 -0.142 0.000 0.748 467 L CB -1.278 40.680 42.059 -0.168 0.000 0.891 467 L HN 0.033 nan 8.230 nan 0.000 0.431 468 E N 0.089 120.325 120.200 0.059 0.000 2.253 468 E HA -0.254 3.980 4.350 -0.192 0.000 0.202 468 E C 2.126 178.738 176.600 0.020 0.000 1.014 468 E CA 1.072 57.515 56.400 0.072 0.000 0.823 468 E CB -0.295 29.335 29.700 -0.115 0.000 0.736 468 E HN 0.632 nan 8.360 nan 0.000 0.478 469 G N -0.524 108.249 108.800 -0.044 0.000 2.448 469 G HA2 -0.189 3.656 3.960 -0.192 0.000 0.218 469 G HA3 -0.189 3.656 3.960 -0.192 0.000 0.218 469 G C 0.439 175.124 174.900 -0.358 0.000 1.135 469 G CA 0.351 45.345 45.100 -0.177 0.000 0.784 469 G HN 0.205 nan 8.290 nan 0.000 0.543 470 Y N -0.036 120.084 120.300 -0.300 0.000 2.631 470 Y HA 0.370 4.804 4.550 -0.194 0.000 0.361 470 Y C 1.340 177.088 175.900 -0.253 0.000 0.941 470 Y CA -1.210 56.706 58.100 -0.306 0.000 1.327 470 Y CB 0.604 38.805 38.460 -0.430 0.000 1.299 470 Y HN 0.019 nan 8.280 nan 0.000 0.578 471 L N 0.911 122.087 121.223 -0.077 0.000 2.270 471 L HA -0.234 3.991 4.340 -0.192 0.000 0.217 471 L C 1.417 178.218 176.870 -0.116 0.000 1.107 471 L CA 2.315 57.093 54.840 -0.103 0.000 0.772 471 L CB -0.185 41.853 42.059 -0.036 0.000 0.902 471 L HN 0.385 nan 8.230 nan 0.000 0.439 472 S N -4.077 111.554 115.700 -0.115 0.000 3.073 472 S HA 0.281 4.636 4.470 -0.192 0.000 0.252 472 S C 0.683 175.120 174.600 -0.272 0.000 0.953 472 S CA 0.029 58.152 58.200 -0.128 0.000 1.105 472 S CB -0.228 62.935 63.200 -0.062 0.000 1.070 472 S HN 0.415 nan 8.310 nan 0.000 0.574 473 S N -0.087 115.422 115.700 -0.318 0.000 2.617 473 S HA 0.194 4.549 4.470 -0.192 0.000 0.278 473 S C 1.136 175.463 174.600 -0.456 0.000 1.082 473 S CA 0.177 58.122 58.200 -0.424 0.000 1.228 473 S CB -0.480 62.614 63.200 -0.176 0.000 1.130 473 S HN 0.253 nan 8.310 nan 0.000 0.621 474 L N 4.612 125.640 121.223 -0.326 0.000 2.043 474 L HA -0.178 4.047 4.340 -0.192 0.000 0.212 474 L C 2.629 179.356 176.870 -0.238 0.000 1.075 474 L CA 2.670 57.312 54.840 -0.330 0.000 0.752 474 L CB -1.102 40.765 42.059 -0.320 0.000 0.891 474 L HN 0.699 nan 8.230 nan 0.000 0.432 475 H N -1.532 117.418 119.070 -0.200 0.000 2.489 475 H HA -0.131 4.307 4.556 -0.198 0.000 0.293 475 H C 1.982 177.251 175.328 -0.098 0.000 1.066 475 H CA 1.454 57.423 56.048 -0.130 0.000 1.305 475 H CB -0.561 29.061 29.762 -0.233 0.000 1.386 475 H HN 0.455 nan 8.280 nan 0.000 0.551 476 L N 0.156 121.072 121.223 -0.511 0.000 2.478 476 L HA -0.020 4.205 4.340 -0.192 0.000 0.223 476 L C 2.056 178.926 176.870 -0.001 0.000 1.140 476 L CA 0.800 55.504 54.840 -0.227 0.000 0.842 476 L CB 0.115 41.989 42.059 -0.308 0.000 0.953 476 L HN 0.201 nan 8.230 nan 0.000 0.452 477 K N -0.503 119.892 120.400 -0.009 0.000 2.309 477 K HA 0.300 4.505 4.320 -0.192 0.000 0.210 477 K C 0.661 177.410 176.600 0.249 0.000 1.114 477 K CA 0.311 56.690 56.287 0.154 0.000 0.912 477 K CB 0.226 32.716 32.500 -0.016 0.000 1.198 477 K HN 0.047 nan 8.250 nan 0.000 0.471 478 A N 1.695 124.603 122.820 0.146 0.000 2.276 478 A HA 0.347 4.552 4.320 -0.192 0.000 0.300 478 A C 0.188 177.881 177.584 0.182 0.000 1.235 478 A CA -0.393 51.752 52.037 0.179 0.000 0.867 478 A CB -0.286 18.872 19.000 0.264 0.000 1.137 478 A HN 0.440 nan 8.150 nan 0.000 0.527 479 F N 0.573 120.610 119.950 0.145 0.000 2.695 479 F HA 0.473 4.886 4.527 -0.190 0.000 0.303 479 F C 0.128 176.009 175.800 0.134 0.000 1.091 479 F CA -0.272 57.785 58.000 0.094 0.000 1.300 479 F CB -0.064 38.935 39.000 -0.003 0.000 1.071 479 F HN 0.295 nan 8.300 nan 0.000 0.578 480 T N -0.121 114.422 114.554 -0.018 0.000 3.128 480 T HA 0.216 4.451 4.350 -0.192 0.000 0.363 480 T C -2.503 172.214 174.700 0.029 0.000 1.610 480 T CA -0.522 61.617 62.100 0.065 0.000 1.126 480 T CB 1.422 70.336 68.868 0.078 0.000 1.416 480 T HN 0.139 nan 8.240 nan 0.000 0.480 481 Y N 3.776 124.030 120.300 -0.076 0.000 2.326 481 Y HA 0.745 5.179 4.550 -0.194 0.000 0.331 481 Y C -0.952 174.837 175.900 -0.186 0.000 0.962 481 Y CA -1.122 56.833 58.100 -0.241 0.000 1.167 481 Y CB 0.523 38.641 38.460 -0.571 0.000 1.148 481 Y HN 0.620 nan 8.280 nan 0.000 0.463 482 I N 5.552 125.680 120.570 -0.737 0.000 2.664 482 I HA 0.332 4.387 4.170 -0.192 0.000 0.308 482 I C -0.406 175.131 176.117 -0.966 0.000 0.984 482 I CA -0.912 60.065 61.300 -0.539 0.000 1.213 482 I CB 1.508 39.387 38.000 -0.201 0.000 1.379 482 I HN 0.634 nan 8.210 nan 0.000 0.501 483 N N 4.208 122.548 118.700 -0.601 0.000 2.454 483 N HA 0.300 4.925 4.740 -0.192 0.000 0.291 483 N C -0.421 174.836 175.510 -0.421 0.000 1.079 483 N CA -0.398 52.359 53.050 -0.487 0.000 0.893 483 N CB 1.921 40.235 38.487 -0.287 0.000 1.512 483 N HN 0.545 nan 8.380 nan 0.000 0.497 484 L N 0.821 121.874 121.223 -0.283 0.000 2.592 484 L HA 0.219 4.444 4.340 -0.192 0.000 0.227 484 L C 0.170 176.933 176.870 -0.179 0.000 1.127 484 L CA -0.137 54.542 54.840 -0.269 0.000 0.884 484 L CB -0.171 41.806 42.059 -0.137 0.000 1.065 484 L HN 0.374 nan 8.230 nan 0.000 0.457 485 D N 2.096 122.426 120.400 -0.117 0.000 2.478 485 D HA -0.058 4.467 4.640 -0.192 0.000 0.234 485 D C 0.561 176.813 176.300 -0.080 0.000 1.154 485 D CA 0.421 54.389 54.000 -0.053 0.000 0.874 485 D CB 0.448 41.250 40.800 0.003 0.000 1.198 485 D HN 0.034 nan 8.370 nan 0.000 0.455 486 K N 0.480 120.854 120.400 -0.044 0.000 3.213 486 K HA -0.276 3.928 4.320 -0.192 0.000 0.266 486 K C 0.852 177.433 176.600 -0.032 0.000 0.911 486 K CA 0.343 56.602 56.287 -0.045 0.000 0.684 486 K CB -1.018 31.458 32.500 -0.040 0.000 1.402 486 K HN 0.506 nan 8.250 nan 0.000 0.465 487 A N 0.045 122.858 122.820 -0.012 0.000 1.929 487 A HA -0.006 4.199 4.320 -0.192 0.000 0.216 487 A C 0.907 178.634 177.584 0.238 0.000 1.176 487 A CA 1.060 53.156 52.037 0.098 0.000 0.628 487 A CB 0.533 19.622 19.000 0.147 0.000 0.816 487 A HN 0.139 nan 8.150 nan 0.000 0.444 488 V N 0.372 120.371 119.914 0.142 0.000 2.350 488 V HA 0.424 4.429 4.120 -0.192 0.000 0.285 488 V C -0.103 176.019 176.094 0.046 0.000 1.014 488 V CA -0.184 62.203 62.300 0.144 0.000 0.831 488 V CB 1.320 33.193 31.823 0.084 0.000 1.000 488 V HN 0.311 nan 8.190 nan 0.000 0.433 489 L N 4.023 125.299 121.223 0.090 0.000 3.174 489 L HA 0.705 4.930 4.340 -0.192 0.000 0.283 489 L C 0.878 177.838 176.870 0.150 0.000 1.187 489 L CA 0.932 55.800 54.840 0.047 0.000 1.018 489 L CB 0.720 42.802 42.059 0.038 0.000 1.433 489 L HN 0.808 nan 8.230 nan 0.000 0.593 490 G N -1.206 107.687 108.800 0.156 0.000 2.500 490 G HA2 0.441 4.286 3.960 -0.192 0.000 0.299 490 G HA3 0.441 4.286 3.960 -0.192 0.000 0.299 490 G C -0.469 174.524 174.900 0.156 0.000 1.242 490 G CA 0.425 45.615 45.100 0.150 0.000 0.859 490 G HN -0.173 nan 8.290 nan 0.000 0.481 491 T N -2.974 111.689 114.554 0.182 0.000 3.594 491 T HA 0.414 4.649 4.350 -0.192 0.000 0.315 491 T C 0.926 175.842 174.700 0.361 0.000 0.912 491 T CA 0.940 63.192 62.100 0.253 0.000 0.985 491 T CB 0.374 69.354 68.868 0.186 0.000 1.201 491 T HN 0.397 nan 8.240 nan 0.000 0.569 492 S N 1.810 117.678 115.700 0.279 0.000 2.431 492 S HA 0.285 4.640 4.470 -0.192 0.000 0.210 492 S C 0.887 175.660 174.600 0.287 0.000 1.013 492 S CA 0.014 58.363 58.200 0.248 0.000 0.920 492 S CB -0.021 63.263 63.200 0.140 0.000 0.882 492 S HN 0.543 nan 8.310 nan 0.000 0.567 493 N N 0.358 119.190 118.700 0.220 0.000 2.538 493 N HA 0.389 5.014 4.740 -0.192 0.000 0.292 493 N C -1.301 174.344 175.510 0.226 0.000 1.262 493 N CA -0.265 52.899 53.050 0.189 0.000 0.976 493 N CB 0.575 39.124 38.487 0.104 0.000 1.161 493 N HN 0.238 nan 8.380 nan 0.000 0.598 494 F N 0.734 120.653 119.950 -0.052 0.000 2.872 494 F HA 0.249 4.660 4.527 -0.193 0.000 0.363 494 F C 0.030 175.756 175.800 -0.123 0.000 1.357 494 F CA -0.740 57.136 58.000 -0.206 0.000 1.174 494 F CB 0.267 39.072 39.000 -0.325 0.000 1.860 494 F HN 0.264 nan 8.300 nan 0.000 0.615 495 K N 2.420 122.633 120.400 -0.313 0.000 2.380 495 K HA 0.535 4.740 4.320 -0.192 0.000 0.267 495 K C -1.300 175.013 176.600 -0.478 0.000 0.990 495 K CA 0.074 56.190 56.287 -0.285 0.000 0.946 495 K CB 0.831 33.224 32.500 -0.178 0.000 0.937 495 K HN 0.321 nan 8.250 nan 0.000 0.491 496 V N 2.509 122.242 119.914 -0.300 0.000 2.711 496 V HA 0.207 4.212 4.120 -0.192 0.000 0.304 496 V C -1.309 174.702 176.094 -0.138 0.000 1.097 496 V CA -0.833 61.322 62.300 -0.242 0.000 0.906 496 V CB 2.172 33.886 31.823 -0.182 0.000 1.015 496 V HN 0.845 nan 8.190 nan 0.000 0.427 497 S N 3.008 118.632 115.700 -0.126 0.000 2.502 497 S HA 0.982 5.337 4.470 -0.192 0.000 0.304 497 S C -0.138 174.389 174.600 -0.122 0.000 1.097 497 S CA -0.093 58.027 58.200 -0.133 0.000 1.045 497 S CB 1.978 65.092 63.200 -0.142 0.000 1.019 497 S HN 1.348 nan 8.310 nan 0.000 0.481 498 A N 1.541 124.261 122.820 -0.166 0.000 2.511 498 A HA 0.811 5.016 4.320 -0.192 0.000 0.293 498 A C -0.677 176.749 177.584 -0.264 0.000 1.098 498 A CA -0.713 51.227 52.037 -0.161 0.000 0.643 498 A CB 0.625 19.567 19.000 -0.098 0.000 1.302 498 A HN 0.725 nan 8.150 nan 0.000 0.446 499 S N 0.858 116.440 115.700 -0.198 0.000 2.545 499 S HA 0.483 4.838 4.470 -0.192 0.000 0.275 499 S C -1.106 173.428 174.600 -0.110 0.000 1.299 499 S CA -0.922 57.161 58.200 -0.195 0.000 1.048 499 S CB 0.773 63.981 63.200 0.012 0.000 0.938 499 S HN 0.463 nan 8.310 nan 0.000 0.496 500 P HA -0.173 nan 4.420 nan 0.000 0.219 500 P C 1.392 178.667 177.300 -0.042 0.000 1.145 500 P CA 1.170 64.179 63.100 -0.151 0.000 0.813 500 P CB -0.049 31.435 31.700 -0.360 0.000 0.771 501 L N -1.604 119.642 121.223 0.037 0.000 2.265 501 L HA -0.071 4.154 4.340 -0.192 0.000 0.215 501 L C 2.185 179.078 176.870 0.038 0.000 1.117 501 L CA 1.013 55.916 54.840 0.106 0.000 0.782 501 L CB -0.505 41.691 42.059 0.227 0.000 0.914 501 L HN -0.002 nan 8.230 nan 0.000 0.441 502 L N -2.308 118.911 121.223 -0.007 0.000 2.769 502 L HA 0.007 4.232 4.340 -0.192 0.000 0.240 502 L C 1.796 178.590 176.870 -0.127 0.000 1.163 502 L CA -0.316 54.462 54.840 -0.103 0.000 0.962 502 L CB -0.163 41.795 42.059 -0.168 0.000 1.258 502 L HN 0.078 nan 8.230 nan 0.000 0.513 503 Y N 1.356 121.568 120.300 -0.147 0.000 2.097 503 Y HA -0.310 4.124 4.550 -0.193 0.000 0.282 503 Y C 2.455 178.275 175.900 -0.134 0.000 1.152 503 Y CA 2.315 60.333 58.100 -0.135 0.000 1.136 503 Y CB -0.298 38.089 38.460 -0.122 0.000 0.975 503 Y HN 0.089 nan 8.280 nan 0.000 0.498 504 T N 1.061 115.468 114.554 -0.244 0.000 2.915 504 T HA -0.146 4.089 4.350 -0.192 0.000 0.269 504 T C 1.764 176.274 174.700 -0.317 0.000 1.071 504 T CA 1.236 63.152 62.100 -0.307 0.000 1.132 504 T CB -0.480 68.301 68.868 -0.145 0.000 0.878 504 T HN 0.287 nan 8.240 nan 0.000 0.479 505 L N 1.054 122.101 121.223 -0.295 0.000 2.044 505 L HA 0.157 4.382 4.340 -0.192 0.000 0.205 505 L C 2.077 178.784 176.870 -0.271 0.000 1.075 505 L CA 1.418 56.078 54.840 -0.299 0.000 0.747 505 L CB -0.571 41.255 42.059 -0.388 0.000 0.903 505 L HN 0.226 nan 8.230 nan 0.000 0.435 506 I N -0.373 120.001 120.570 -0.325 0.000 2.163 506 I HA -0.317 3.738 4.170 -0.192 0.000 0.243 506 I C 2.506 178.542 176.117 -0.135 0.000 1.085 506 I CA 1.754 62.987 61.300 -0.111 0.000 1.347 506 I CB -0.489 37.438 38.000 -0.122 0.000 1.044 506 I HN 0.457 nan 8.210 nan 0.000 0.408 507 E N 1.508 121.476 120.200 -0.387 0.000 2.000 507 E HA -0.293 3.942 4.350 -0.192 0.000 0.199 507 E C 2.106 178.453 176.600 -0.421 0.000 1.011 507 E CA 1.641 57.740 56.400 -0.502 0.000 0.836 507 E CB 0.042 29.339 29.700 -0.671 0.000 0.778 507 E HN 0.120 nan 8.360 nan 0.000 0.462 508 K N -0.087 120.108 120.400 -0.342 0.000 2.228 508 K HA -0.125 4.080 4.320 -0.192 0.000 0.205 508 K C 1.992 178.519 176.600 -0.121 0.000 1.045 508 K CA 1.721 57.861 56.287 -0.244 0.000 0.931 508 K CB -0.530 31.837 32.500 -0.221 0.000 0.727 508 K HN 0.181 nan 8.250 nan 0.000 0.458 509 T N 0.245 114.774 114.554 -0.043 0.000 2.851 509 T HA 0.040 4.275 4.350 -0.192 0.000 0.262 509 T C 1.487 176.226 174.700 0.065 0.000 1.043 509 T CA 0.884 63.041 62.100 0.096 0.000 1.140 509 T CB -0.046 69.002 68.868 0.300 0.000 0.872 509 T HN 0.160 nan 8.240 nan 0.000 0.446 510 M N 1.089 120.702 119.600 0.021 0.000 2.632 510 M HA 0.003 4.368 4.480 -0.192 0.000 0.256 510 M C 1.787 178.151 176.300 0.108 0.000 1.080 510 M CA 1.137 56.451 55.300 0.024 0.000 1.084 510 M CB -0.296 32.359 32.600 0.092 0.000 1.439 510 M HN 0.266 nan 8.290 nan 0.000 0.509 511 Q N -0.525 119.299 119.800 0.039 0.000 2.319 511 Q HA 0.091 4.316 4.340 -0.192 0.000 0.202 511 Q C 1.090 177.206 176.000 0.193 0.000 0.896 511 Q CA 0.224 56.061 55.803 0.057 0.000 0.942 511 Q CB 0.491 29.154 28.738 -0.124 0.000 1.083 511 Q HN 0.529 nan 8.270 nan 0.000 0.510 512 N N -0.699 118.157 118.700 0.259 0.000 2.317 512 N HA 0.078 4.703 4.740 -0.192 0.000 0.199 512 N C -0.353 175.314 175.510 0.263 0.000 1.145 512 N CA 0.286 53.537 53.050 0.335 0.000 0.882 512 N CB 1.530 40.203 38.487 0.310 0.000 1.113 512 N HN -0.086 nan 8.380 nan 0.000 0.486 513 V N 2.607 122.610 119.914 0.148 0.000 2.394 513 V HA 0.245 4.250 4.120 -0.192 0.000 0.282 513 V C 0.169 176.208 176.094 -0.092 0.000 1.031 513 V CA -0.588 61.700 62.300 -0.019 0.000 0.881 513 V CB 1.685 33.441 31.823 -0.110 0.000 0.982 513 V HN -0.058 nan 8.190 nan 0.000 0.451 514 K N 2.866 123.134 120.400 -0.220 0.000 2.156 514 K HA 0.374 4.579 4.320 -0.192 0.000 0.271 514 K C -0.044 176.504 176.600 -0.087 0.000 0.995 514 K CA -0.698 55.419 56.287 -0.282 0.000 0.890 514 K CB 1.137 33.355 32.500 -0.470 0.000 1.073 514 K HN 0.801 nan 8.250 nan 0.000 0.454 515 H N 4.216 123.220 119.070 -0.109 0.000 3.092 515 H HA -0.061 4.380 4.556 -0.191 0.000 0.332 515 H C -1.319 173.957 175.328 -0.088 0.000 1.029 515 H CA -0.816 55.220 56.048 -0.020 0.000 1.376 515 H CB 0.962 30.733 29.762 0.016 0.000 1.329 515 H HN 0.428 nan 8.280 nan 0.000 0.598 516 P HA -0.175 nan 4.420 nan 0.000 0.216 516 P C 1.175 178.516 177.300 0.069 0.000 1.153 516 P CA 1.049 64.159 63.100 0.018 0.000 0.848 516 P CB 0.334 31.922 31.700 -0.187 0.000 0.787 517 V N -0.082 119.948 119.914 0.192 0.000 2.283 517 V HA -0.034 3.971 4.120 -0.192 0.000 0.239 517 V C 1.276 177.266 176.094 -0.174 0.000 1.035 517 V CA 1.638 63.902 62.300 -0.059 0.000 1.018 517 V CB -1.630 30.126 31.823 -0.112 0.000 0.658 517 V HN 0.096 nan 8.190 nan 0.000 0.459 518 T N 0.981 115.298 114.554 -0.395 0.000 2.901 518 T HA 0.308 4.543 4.350 -0.192 0.000 0.301 518 T C 1.181 175.806 174.700 -0.125 0.000 1.012 518 T CA 0.467 62.407 62.100 -0.266 0.000 1.135 518 T CB 1.317 69.983 68.868 -0.337 0.000 0.936 518 T HN 0.495 nan 8.240 nan 0.000 0.539 519 G N 2.286 111.029 108.800 -0.095 0.000 2.679 519 G HA2 -0.037 3.808 3.960 -0.192 0.000 0.212 519 G HA3 -0.037 3.808 3.960 -0.192 0.000 0.212 519 G C 0.528 175.361 174.900 -0.110 0.000 1.137 519 G CA 0.234 45.278 45.100 -0.093 0.000 0.787 519 G HN 0.638 nan 8.290 nan 0.000 0.534 520 Q N -0.675 119.094 119.800 -0.053 0.000 2.317 520 Q HA 0.412 4.637 4.340 -0.192 0.000 0.229 520 Q C -0.651 175.356 176.000 0.011 0.000 0.984 520 Q CA -0.770 55.047 55.803 0.024 0.000 0.911 520 Q CB 0.968 29.758 28.738 0.086 0.000 1.217 520 Q HN 0.233 nan 8.270 nan 0.000 0.501 521 F N 0.541 120.515 119.950 0.040 0.000 2.450 521 F HA -0.007 4.404 4.527 -0.192 0.000 0.339 521 F C 1.437 177.263 175.800 0.043 0.000 1.146 521 F CA -0.034 57.991 58.000 0.042 0.000 1.267 521 F CB 0.227 39.261 39.000 0.058 0.000 1.178 521 F HN 0.467 nan 8.300 nan 0.000 0.585 522 L N 0.883 122.206 121.223 0.167 0.000 2.083 522 L HA -0.210 4.015 4.340 -0.192 0.000 0.209 522 L C 0.578 177.536 176.870 0.147 0.000 1.083 522 L CA 0.892 55.744 54.840 0.020 0.000 0.752 522 L CB -0.443 41.423 42.059 -0.322 0.000 0.899 522 L HN 0.475 nan 8.230 nan 0.000 0.433 523 Y N 2.121 122.460 120.300 0.065 0.000 2.496 523 Y HA 0.013 4.449 4.550 -0.190 0.000 0.334 523 Y C 0.501 176.434 175.900 0.054 0.000 1.080 523 Y CA -0.725 57.404 58.100 0.049 0.000 1.355 523 Y CB 0.003 38.476 38.460 0.020 0.000 1.193 523 Y HN 0.099 nan 8.280 nan 0.000 0.523 524 Q N 5.927 125.478 119.800 -0.415 0.000 2.381 524 Q HA -0.058 4.167 4.340 -0.192 0.000 0.243 524 Q C 0.770 176.401 176.000 -0.614 0.000 1.154 524 Q CA -0.066 55.514 55.803 -0.372 0.000 0.899 524 Q CB 0.328 28.931 28.738 -0.225 0.000 1.396 524 Q HN 0.792 nan 8.270 nan 0.000 0.485 525 D N 0.919 121.093 120.400 -0.377 0.000 2.357 525 D HA -0.127 4.398 4.640 -0.192 0.000 0.216 525 D C 1.250 177.455 176.300 -0.159 0.000 0.973 525 D CA 1.119 54.968 54.000 -0.253 0.000 0.912 525 D CB 0.394 41.141 40.800 -0.088 0.000 0.900 525 D HN 0.492 nan 8.370 nan 0.000 0.501 526 S N -0.457 115.152 115.700 -0.151 0.000 2.603 526 S HA 0.018 4.372 4.470 -0.192 0.000 0.220 526 S C 0.714 175.290 174.600 -0.041 0.000 0.967 526 S CA -0.279 57.881 58.200 -0.066 0.000 0.920 526 S CB 0.274 63.445 63.200 -0.048 0.000 0.773 526 S HN 0.074 nan 8.310 nan 0.000 0.529 527 N N 0.768 119.405 118.700 -0.105 0.000 2.453 527 N HA 0.372 4.997 4.740 -0.192 0.000 0.290 527 N C 0.095 175.661 175.510 0.093 0.000 1.250 527 N CA -0.592 52.429 53.050 -0.048 0.000 0.815 527 N CB 0.835 39.230 38.487 -0.154 0.000 1.381 527 N HN 0.558 nan 8.380 nan 0.000 0.510 528 W N -1.525 119.827 121.300 0.086 0.000 2.741 528 W HA 0.559 5.103 4.660 -0.193 0.000 0.317 528 W C -0.934 175.697 176.519 0.186 0.000 1.029 528 W CA -0.374 57.056 57.345 0.143 0.000 1.511 528 W CB 0.298 29.812 29.460 0.090 0.000 1.025 528 W HN 0.393 nan 8.180 nan 0.000 0.554 529 A N 2.443 124.810 122.820 -0.754 0.000 2.409 529 A HA 0.602 4.807 4.320 -0.192 0.000 0.300 529 A C -0.238 177.194 177.584 -0.254 0.000 1.273 529 A CA -0.304 51.300 52.037 -0.723 0.000 0.774 529 A CB 0.667 18.804 19.000 -1.438 0.000 1.144 529 A HN 0.035 nan 8.150 nan 0.000 0.472 530 S N 1.207 116.958 115.700 0.086 0.000 2.645 530 S HA 0.368 4.723 4.470 -0.192 0.000 0.266 530 S C 0.252 174.913 174.600 0.101 0.000 1.258 530 S CA -0.577 57.712 58.200 0.149 0.000 0.990 530 S CB 0.927 64.303 63.200 0.294 0.000 0.967 530 S HN 0.715 nan 8.310 nan 0.000 0.556 531 K N 1.245 121.686 120.400 0.068 0.000 2.234 531 K HA 0.494 4.699 4.320 -0.192 0.000 0.277 531 K C -1.632 174.992 176.600 0.041 0.000 1.038 531 K CA -0.399 55.902 56.287 0.023 0.000 0.888 531 K CB 0.482 32.977 32.500 -0.008 0.000 1.091 531 K HN 0.369 nan 8.250 nan 0.000 0.467 532 V N 3.837 123.761 119.914 0.016 0.000 2.588 532 V HA 0.255 4.260 4.120 -0.192 0.000 0.304 532 V C -0.382 175.661 176.094 -0.084 0.000 1.042 532 V CA -0.903 61.391 62.300 -0.010 0.000 0.877 532 V CB 1.582 33.434 31.823 0.049 0.000 0.996 532 V HN 0.871 nan 8.190 nan 0.000 0.425 533 E N 2.755 122.890 120.200 -0.109 0.000 2.283 533 E HA 0.446 4.681 4.350 -0.192 0.000 0.267 533 E C -0.492 175.994 176.600 -0.191 0.000 1.045 533 E CA -0.726 55.594 56.400 -0.133 0.000 0.884 533 E CB 1.163 30.790 29.700 -0.123 0.000 1.106 533 E HN 0.544 nan 8.360 nan 0.000 0.408 534 K N 2.019 122.303 120.400 -0.193 0.000 2.185 534 K HA 0.208 4.413 4.320 -0.192 0.000 0.271 534 K C -0.572 175.911 176.600 -0.194 0.000 1.013 534 K CA -0.684 55.452 56.287 -0.251 0.000 0.943 534 K CB 0.583 32.988 32.500 -0.158 0.000 0.998 534 K HN 0.306 nan 8.250 nan 0.000 0.468 535 L N 2.886 124.002 121.223 -0.179 0.000 2.416 535 L HA 0.126 4.351 4.340 -0.192 0.000 0.272 535 L C 0.697 177.483 176.870 -0.140 0.000 1.161 535 L CA 0.309 55.104 54.840 -0.075 0.000 0.845 535 L CB 0.261 42.363 42.059 0.072 0.000 1.119 535 L HN 0.808 nan 8.230 nan 0.000 0.464 536 T N -0.063 114.346 114.554 -0.241 0.000 2.928 536 T HA 0.262 4.496 4.350 -0.192 0.000 0.284 536 T C 1.330 175.594 174.700 -0.727 0.000 1.008 536 T CA -0.904 60.926 62.100 -0.450 0.000 1.057 536 T CB 1.733 70.422 68.868 -0.299 0.000 1.018 536 T HN 0.344 nan 8.240 nan 0.000 0.493 537 L N 1.424 122.058 121.223 -0.982 0.000 2.270 537 L HA -0.102 4.123 4.340 -0.192 0.000 0.217 537 L C 1.337 177.945 176.870 -0.436 0.000 1.107 537 L CA 2.010 56.266 54.840 -0.973 0.000 0.772 537 L CB -1.058 40.608 42.059 -0.654 0.000 0.902 537 L HN 0.920 nan 8.230 nan 0.000 0.439 538 D N -1.854 118.362 120.400 -0.308 0.000 2.722 538 D HA -0.014 4.511 4.640 -0.192 0.000 0.239 538 D C 0.118 176.383 176.300 -0.058 0.000 1.249 538 D CA -0.195 53.715 54.000 -0.150 0.000 0.830 538 D CB -0.386 40.336 40.800 -0.130 0.000 1.025 538 D HN 0.382 nan 8.370 nan 0.000 0.486 539 N N -0.088 118.599 118.700 -0.021 0.000 2.480 539 N HA 0.346 4.971 4.740 -0.192 0.000 0.289 539 N C 0.917 176.508 175.510 0.135 0.000 1.073 539 N CA -0.451 52.627 53.050 0.047 0.000 0.885 539 N CB 1.589 40.087 38.487 0.017 0.000 1.421 539 N HN -0.034 nan 8.380 nan 0.000 0.503 540 A N 3.066 125.964 122.820 0.129 0.000 2.067 540 A HA -0.261 3.944 4.320 -0.192 0.000 0.224 540 A C 2.056 179.762 177.584 0.204 0.000 1.172 540 A CA 2.369 54.483 52.037 0.128 0.000 0.662 540 A CB -0.689 18.376 19.000 0.109 0.000 0.814 540 A HN 0.770 nan 8.150 nan 0.000 0.468 541 A N -1.523 121.460 122.820 0.271 0.000 1.968 541 A HA 0.069 4.274 4.320 -0.192 0.000 0.217 541 A C 1.927 179.661 177.584 0.250 0.000 1.169 541 A CA 1.383 53.614 52.037 0.323 0.000 0.638 541 A CB -0.628 18.509 19.000 0.227 0.000 0.812 541 A HN 0.720 nan 8.150 nan 0.000 0.446 542 F N 1.593 121.575 119.950 0.054 0.000 2.065 542 F HA -0.117 4.297 4.527 -0.189 0.000 0.298 542 F C -0.705 175.137 175.800 0.071 0.000 1.112 542 F CA 2.157 60.148 58.000 -0.015 0.000 1.212 542 F CB -1.316 37.601 39.000 -0.138 0.000 0.975 542 F HN 0.155 nan 8.300 nan 0.000 0.476 543 P HA -0.189 nan 4.420 nan 0.000 0.215 543 P C 1.795 179.135 177.300 0.067 0.000 1.157 543 P CA 1.811 64.942 63.100 0.052 0.000 0.868 543 P CB -0.301 31.460 31.700 0.103 0.000 0.788 544 F N -1.100 118.799 119.950 -0.084 0.000 2.154 544 F HA -0.191 4.219 4.527 -0.195 0.000 0.301 544 F C 2.139 177.948 175.800 0.015 0.000 1.087 544 F CA 1.403 59.365 58.000 -0.062 0.000 1.274 544 F CB -0.997 37.887 39.000 -0.193 0.000 1.009 544 F HN -0.114 nan 8.300 nan 0.000 0.485 545 L N -0.530 120.781 121.223 0.147 0.000 2.145 545 L HA 0.254 4.479 4.340 -0.192 0.000 0.201 545 L C 2.143 178.992 176.870 -0.034 0.000 1.075 545 L CA 1.753 56.626 54.840 0.055 0.000 0.773 545 L CB -1.052 41.007 42.059 -0.000 0.000 0.936 545 L HN -0.057 nan 8.230 nan 0.000 0.451 546 A N -2.092 120.603 122.820 -0.208 0.000 2.123 546 A HA -0.078 4.127 4.320 -0.192 0.000 0.214 546 A C 1.916 179.636 177.584 0.226 0.000 1.152 546 A CA 1.291 53.251 52.037 -0.129 0.000 0.728 546 A CB -0.586 17.892 19.000 -0.872 0.000 0.814 546 A HN 0.662 nan 8.150 nan 0.000 0.464 547 Y N -1.268 119.071 120.300 0.066 0.000 2.664 547 Y HA 0.216 4.653 4.550 -0.189 0.000 0.278 547 Y C 2.023 177.951 175.900 0.046 0.000 1.130 547 Y CA 1.097 59.237 58.100 0.067 0.000 1.260 547 Y CB 0.317 38.779 38.460 0.003 0.000 1.369 547 Y HN 0.145 nan 8.280 nan 0.000 0.499 548 S N -0.238 115.430 115.700 -0.052 0.000 2.535 548 S HA 0.239 4.594 4.470 -0.192 0.000 0.214 548 S C 1.237 175.915 174.600 0.130 0.000 0.980 548 S CA 0.561 58.697 58.200 -0.107 0.000 0.907 548 S CB 0.059 63.178 63.200 -0.135 0.000 0.790 548 S HN 0.796 nan 8.310 nan 0.000 0.510 549 G N 2.182 111.088 108.800 0.177 0.000 2.221 549 G HA2 -0.207 3.638 3.960 -0.192 0.000 0.265 549 G HA3 -0.207 3.638 3.960 -0.192 0.000 0.265 549 G C -0.171 174.900 174.900 0.285 0.000 1.041 549 G CA -0.176 45.089 45.100 0.274 0.000 0.807 549 G HN 0.408 nan 8.290 nan 0.000 0.502 550 I N 1.404 122.132 120.570 0.264 0.000 2.354 550 I HA 0.341 4.396 4.170 -0.192 0.000 0.292 550 I C -1.770 174.515 176.117 0.279 0.000 0.989 550 I CA -3.208 58.276 61.300 0.306 0.000 1.188 550 I CB 1.214 39.462 38.000 0.413 0.000 1.342 550 I HN -0.068 nan 8.210 nan 0.000 0.457 551 P HA 0.248 nan 4.420 nan 0.000 0.271 551 P C -0.908 176.496 177.300 0.173 0.000 1.216 551 P CA -0.173 63.050 63.100 0.204 0.000 0.771 551 P CB 1.296 33.126 31.700 0.215 0.000 0.864 552 A N 3.176 126.063 122.820 0.111 0.000 2.455 552 A HA 0.568 4.772 4.320 -0.192 0.000 0.300 552 A C -0.993 176.592 177.584 0.002 0.000 1.040 552 A CA -0.744 51.348 52.037 0.093 0.000 0.697 552 A CB 1.821 20.952 19.000 0.219 0.000 1.265 552 A HN 0.415 nan 8.150 nan 0.000 0.407 553 V N 1.227 121.124 119.914 -0.028 0.000 3.093 553 V HA 0.921 4.926 4.120 -0.192 0.000 0.320 553 V C 0.013 176.079 176.094 -0.046 0.000 1.093 553 V CA 0.255 62.546 62.300 -0.015 0.000 1.016 553 V CB 2.184 34.039 31.823 0.054 0.000 1.096 553 V HN 1.534 nan 8.190 nan 0.000 0.452 554 S N 3.627 119.297 115.700 -0.050 0.000 2.333 554 S HA 0.377 4.732 4.470 -0.192 0.000 0.208 554 S C -0.927 173.544 174.600 -0.216 0.000 0.911 554 S CA -0.697 57.383 58.200 -0.199 0.000 1.075 554 S CB -0.091 63.019 63.200 -0.151 0.000 1.293 554 S HN 0.894 nan 8.310 nan 0.000 0.396 555 F N 1.592 121.458 119.950 -0.139 0.000 2.368 555 F HA 0.905 5.316 4.527 -0.193 0.000 0.315 555 F C 0.259 175.872 175.800 -0.313 0.000 1.145 555 F CA -1.312 56.484 58.000 -0.340 0.000 1.095 555 F CB 0.382 39.150 39.000 -0.387 0.000 1.286 555 F HN 0.464 nan 8.300 nan 0.000 0.530 556 C N 2.605 121.795 119.300 -0.182 0.000 2.832 556 C HA 0.433 4.778 4.460 -0.192 0.000 0.383 556 C C -0.689 174.251 174.990 -0.083 0.000 1.046 556 C CA -1.094 57.882 59.018 -0.071 0.000 1.242 556 C CB -0.509 27.165 27.740 -0.110 0.000 1.693 556 C HN 0.833 nan 8.230 nan 0.000 0.497 557 F N 4.664 124.705 119.950 0.152 0.000 2.783 557 F HA 0.229 4.641 4.527 -0.192 0.000 0.338 557 F C 1.670 177.526 175.800 0.093 0.000 1.178 557 F CA 0.009 58.117 58.000 0.181 0.000 1.343 557 F CB -0.315 38.772 39.000 0.146 0.000 1.496 557 F HN 0.671 nan 8.300 nan 0.000 0.583 558 C N 0.756 120.142 119.300 0.143 0.000 2.865 558 C HA 0.027 4.372 4.460 -0.192 0.000 0.365 558 C C 0.756 175.812 174.990 0.110 0.000 1.330 558 C CA -0.082 58.990 59.018 0.089 0.000 2.106 558 C CB 0.099 27.843 27.740 0.007 0.000 2.590 558 C HN 0.439 nan 8.230 nan 0.000 0.754 559 E N -0.117 120.127 120.200 0.072 0.000 2.392 559 E HA 0.206 4.441 4.350 -0.192 0.000 0.269 559 E C 0.093 176.705 176.600 0.020 0.000 0.924 559 E CA -0.436 56.001 56.400 0.061 0.000 0.784 559 E CB 1.171 30.906 29.700 0.058 0.000 1.292 559 E HN 0.518 nan 8.360 nan 0.000 0.447 560 D N -0.031 120.376 120.400 0.013 0.000 2.182 560 D HA -0.082 4.442 4.640 -0.192 0.000 0.201 560 D C -0.019 176.257 176.300 -0.039 0.000 0.986 560 D CA 1.470 55.465 54.000 -0.009 0.000 0.847 560 D CB 0.201 40.999 40.800 -0.003 0.000 0.942 560 D HN 0.131 nan 8.370 nan 0.000 0.467 561 T N 1.033 115.555 114.554 -0.052 0.000 2.797 561 T HA 0.311 4.546 4.350 -0.192 0.000 0.279 561 T C -0.804 173.835 174.700 -0.101 0.000 0.991 561 T CA -1.027 61.007 62.100 -0.110 0.000 0.979 561 T CB 1.476 70.263 68.868 -0.137 0.000 0.943 561 T HN 0.016 nan 8.240 nan 0.000 0.444 562 D N 1.065 121.382 120.400 -0.139 0.000 2.414 562 D HA 0.043 4.568 4.640 -0.192 0.000 0.242 562 D C -0.168 176.127 176.300 -0.008 0.000 1.129 562 D CA -0.482 53.487 54.000 -0.052 0.000 0.885 562 D CB 0.215 40.988 40.800 -0.045 0.000 1.198 562 D HN 0.459 nan 8.370 nan 0.000 0.437 563 Y N 2.518 122.786 120.300 -0.054 0.000 2.895 563 Y HA -0.012 4.423 4.550 -0.191 0.000 0.334 563 Y C -1.117 174.788 175.900 0.008 0.000 1.261 563 Y CA -0.921 57.142 58.100 -0.063 0.000 1.560 563 Y CB 0.639 39.087 38.460 -0.019 0.000 1.253 563 Y HN 0.385 nan 8.280 nan 0.000 0.582 564 P HA -0.180 nan 4.420 nan 0.000 0.214 564 P C 0.977 178.431 177.300 0.258 0.000 1.167 564 P CA 1.700 64.870 63.100 0.117 0.000 0.882 564 P CB -0.117 31.558 31.700 -0.042 0.000 0.777 565 Y N -0.692 119.641 120.300 0.055 0.000 2.651 565 Y HA -0.141 4.294 4.550 -0.192 0.000 0.293 565 Y C 2.504 178.616 175.900 0.353 0.000 1.151 565 Y CA -0.924 57.292 58.100 0.193 0.000 1.362 565 Y CB -0.882 37.686 38.460 0.179 0.000 0.973 565 Y HN -0.134 nan 8.280 nan 0.000 0.561 566 L N 0.765 122.333 121.223 0.575 0.000 2.013 566 L HA -0.259 3.965 4.340 -0.192 0.000 0.239 566 L C 2.330 179.411 176.870 0.352 0.000 1.100 566 L CA 2.400 57.499 54.840 0.433 0.000 0.826 566 L CB -1.174 41.091 42.059 0.343 0.000 0.921 566 L HN 0.232 nan 8.230 nan 0.000 0.445 567 G N -2.312 106.677 108.800 0.315 0.000 3.327 567 G HA2 0.187 4.032 3.960 -0.192 0.000 0.240 567 G HA3 0.187 4.032 3.960 -0.192 0.000 0.240 567 G C 0.339 175.510 174.900 0.452 0.000 1.222 567 G CA 0.680 45.983 45.100 0.339 0.000 0.871 567 G HN 0.415 nan 8.290 nan 0.000 0.525 568 T N -1.761 113.077 114.554 0.473 0.000 2.907 568 T HA 0.382 4.617 4.350 -0.192 0.000 0.290 568 T C 1.812 176.778 174.700 0.443 0.000 1.066 568 T CA 0.392 62.819 62.100 0.545 0.000 1.012 568 T CB 1.346 70.466 68.868 0.419 0.000 1.184 568 T HN 0.081 nan 8.240 nan 0.000 0.522 569 T N 0.714 115.485 114.554 0.362 0.000 3.118 569 T HA -0.030 4.205 4.350 -0.192 0.000 0.269 569 T C 1.520 176.276 174.700 0.095 0.000 1.166 569 T CA 1.002 63.180 62.100 0.129 0.000 1.073 569 T CB -0.453 68.428 68.868 0.022 0.000 0.884 569 T HN 0.535 nan 8.240 nan 0.000 0.550 570 M N 0.930 120.601 119.600 0.119 0.000 2.428 570 M HA 0.178 4.543 4.480 -0.192 0.000 0.239 570 M C 0.798 177.184 176.300 0.143 0.000 1.121 570 M CA 0.092 55.380 55.300 -0.021 0.000 1.019 570 M CB 0.242 32.650 32.600 -0.321 0.000 1.485 570 M HN -0.045 nan 8.290 nan 0.000 0.484 571 D N 2.100 122.673 120.400 0.288 0.000 2.948 571 D HA -0.019 4.506 4.640 -0.192 0.000 0.241 571 D C -0.133 176.326 176.300 0.265 0.000 1.198 571 D CA 0.209 54.433 54.000 0.374 0.000 0.926 571 D CB -0.179 40.812 40.800 0.318 0.000 1.151 571 D HN 0.306 nan 8.370 nan 0.000 0.441 572 T N -2.602 112.089 114.554 0.228 0.000 2.904 572 T HA 0.039 4.274 4.350 -0.192 0.000 0.290 572 T C 1.250 176.080 174.700 0.217 0.000 1.018 572 T CA -0.772 61.441 62.100 0.189 0.000 1.075 572 T CB 0.993 69.938 68.868 0.128 0.000 0.986 572 T HN 0.192 nan 8.240 nan 0.000 0.523 573 Y N 1.655 122.024 120.300 0.114 0.000 2.403 573 Y HA -0.009 4.426 4.550 -0.192 0.000 0.291 573 Y C 2.136 178.105 175.900 0.115 0.000 1.143 573 Y CA 1.323 59.487 58.100 0.108 0.000 1.257 573 Y CB -0.228 38.281 38.460 0.081 0.000 0.984 573 Y HN 0.666 nan 8.280 nan 0.000 0.550 574 K N -0.059 120.371 120.400 0.050 0.000 1.974 574 K HA -0.119 4.086 4.320 -0.192 0.000 0.211 574 K C 1.890 178.486 176.600 -0.007 0.000 1.039 574 K CA 1.206 57.482 56.287 -0.017 0.000 0.947 574 K CB -0.228 32.318 32.500 0.077 0.000 0.735 574 K HN 0.138 nan 8.250 nan 0.000 0.441 575 E N 1.290 121.543 120.200 0.090 0.000 2.333 575 E HA -0.207 4.028 4.350 -0.192 0.000 0.200 575 E C 1.866 178.615 176.600 0.248 0.000 1.010 575 E CA 0.738 57.252 56.400 0.189 0.000 0.841 575 E CB -0.173 29.658 29.700 0.217 0.000 0.757 575 E HN 0.156 nan 8.360 nan 0.000 0.508 576 L N 0.482 121.818 121.223 0.188 0.000 1.982 576 L HA 0.000 4.225 4.340 -0.192 0.000 0.206 576 L C 2.292 179.182 176.870 0.032 0.000 1.078 576 L CA 1.306 56.266 54.840 0.200 0.000 0.749 576 L CB -0.628 41.498 42.059 0.111 0.000 0.894 576 L HN 0.061 nan 8.230 nan 0.000 0.436 577 I N -0.523 119.946 120.570 -0.169 0.000 2.657 577 I HA -0.281 3.774 4.170 -0.192 0.000 0.261 577 I C 2.246 178.320 176.117 -0.072 0.000 1.212 577 I CA 1.335 62.525 61.300 -0.183 0.000 1.453 577 I CB -0.101 37.653 38.000 -0.410 0.000 1.092 577 I HN 0.578 nan 8.210 nan 0.000 0.452 578 E N 0.622 120.803 120.200 -0.030 0.000 2.285 578 E HA -0.132 4.102 4.350 -0.192 0.000 0.194 578 E C 1.751 178.366 176.600 0.025 0.000 0.997 578 E CA 0.425 56.831 56.400 0.009 0.000 0.845 578 E CB 0.213 29.936 29.700 0.038 0.000 0.782 578 E HN 0.481 nan 8.360 nan 0.000 0.491 579 R N -0.259 120.263 120.500 0.037 0.000 2.397 579 R HA 0.310 4.535 4.340 -0.192 0.000 0.241 579 R C 0.577 176.901 176.300 0.040 0.000 0.914 579 R CA 0.056 56.173 56.100 0.029 0.000 1.071 579 R CB 0.845 31.144 30.300 -0.002 0.000 1.116 579 R HN 0.079 nan 8.270 nan 0.000 0.524 580 I N 0.151 120.740 120.570 0.032 0.000 2.761 580 I HA 0.168 4.223 4.170 -0.192 0.000 0.321 580 I C -2.311 173.810 176.117 0.006 0.000 1.493 580 I CA -1.783 59.535 61.300 0.030 0.000 0.792 580 I CB 1.238 39.271 38.000 0.055 0.000 2.059 580 I HN -0.145 nan 8.210 nan 0.000 0.582 581 P HA -0.279 nan 4.420 nan 0.000 0.232 581 P C 0.637 177.936 177.300 -0.003 0.000 1.135 581 P CA 1.847 64.945 63.100 -0.004 0.000 0.969 581 P CB -0.002 31.698 31.700 -0.001 0.000 0.777 582 E N -0.499 119.697 120.200 -0.006 0.000 2.349 582 E HA 0.043 4.278 4.350 -0.192 0.000 0.201 582 E C 1.416 178.009 176.600 -0.011 0.000 1.087 582 E CA -0.321 56.072 56.400 -0.011 0.000 1.128 582 E CB -0.849 28.837 29.700 -0.023 0.000 1.188 582 E HN 0.170 nan 8.360 nan 0.000 0.445 583 L N 1.454 122.680 121.223 0.005 0.000 2.151 583 L HA -0.318 3.907 4.340 -0.192 0.000 0.215 583 L C 1.778 178.680 176.870 0.054 0.000 1.084 583 L CA 2.283 57.137 54.840 0.023 0.000 0.764 583 L CB -0.876 41.207 42.059 0.039 0.000 0.891 583 L HN 0.215 nan 8.230 nan 0.000 0.435 584 N N -0.768 117.966 118.700 0.056 0.000 2.039 584 N HA -0.202 4.423 4.740 -0.192 0.000 0.193 584 N C 1.832 177.351 175.510 0.015 0.000 1.044 584 N CA 1.485 54.573 53.050 0.062 0.000 0.847 584 N CB -0.091 38.401 38.487 0.009 0.000 1.030 584 N HN 0.169 nan 8.380 nan 0.000 0.422 585 K N 0.287 120.662 120.400 -0.041 0.000 2.074 585 K HA -0.094 4.111 4.320 -0.192 0.000 0.209 585 K C 2.029 178.562 176.600 -0.111 0.000 1.048 585 K CA 0.926 57.165 56.287 -0.079 0.000 0.926 585 K CB -0.843 31.608 32.500 -0.081 0.000 0.713 585 K HN 0.140 nan 8.250 nan 0.000 0.444 586 V N 1.439 121.261 119.914 -0.153 0.000 2.233 586 V HA -0.271 3.734 4.120 -0.192 0.000 0.247 586 V C 2.524 178.487 176.094 -0.219 0.000 1.050 586 V CA 2.146 64.232 62.300 -0.357 0.000 1.010 586 V CB -1.044 30.590 31.823 -0.316 0.000 0.637 586 V HN 0.317 nan 8.190 nan 0.000 0.444 587 A N 0.376 123.208 122.820 0.020 0.000 1.948 587 A HA -0.301 3.904 4.320 -0.192 0.000 0.220 587 A C 2.416 180.207 177.584 0.345 0.000 1.177 587 A CA 2.242 54.385 52.037 0.177 0.000 0.636 587 A CB -0.672 18.491 19.000 0.272 0.000 0.815 587 A HN 0.451 nan 8.150 nan 0.000 0.449 588 R N 0.181 120.924 120.500 0.405 0.000 2.080 588 R HA -0.152 4.072 4.340 -0.192 0.000 0.236 588 R C 2.264 178.687 176.300 0.205 0.000 1.137 588 R CA 2.014 58.353 56.100 0.399 0.000 0.943 588 R CB -0.999 29.292 30.300 -0.015 0.000 0.846 588 R HN 0.420 nan 8.270 nan 0.000 0.431 589 A N 1.115 123.958 122.820 0.039 0.000 1.859 589 A HA -0.163 4.041 4.320 -0.192 0.000 0.217 589 A C 2.529 180.192 177.584 0.133 0.000 1.198 589 A CA 2.576 54.633 52.037 0.033 0.000 0.629 589 A CB -1.156 17.804 19.000 -0.066 0.000 0.830 589 A HN 0.576 nan 8.150 nan 0.000 0.446 590 A N -0.337 122.660 122.820 0.296 0.000 1.927 590 A HA 0.032 4.237 4.320 -0.192 0.000 0.220 590 A C 2.475 180.137 177.584 0.130 0.000 1.185 590 A CA 2.578 54.788 52.037 0.289 0.000 0.639 590 A CB -1.079 18.240 19.000 0.533 0.000 0.820 590 A HN 1.285 nan 8.150 nan 0.000 0.451 591 A N -0.892 122.019 122.820 0.153 0.000 2.067 591 A HA -0.069 4.136 4.320 -0.192 0.000 0.219 591 A C 1.943 179.594 177.584 0.110 0.000 1.158 591 A CA 1.695 53.807 52.037 0.125 0.000 0.661 591 A CB -0.368 18.713 19.000 0.135 0.000 0.801 591 A HN 0.733 nan 8.150 nan 0.000 0.452 592 E N 0.109 120.338 120.200 0.049 0.000 2.060 592 E HA -0.104 4.131 4.350 -0.192 0.000 0.189 592 E C 1.995 178.535 176.600 -0.101 0.000 0.974 592 E CA 1.390 57.788 56.400 -0.003 0.000 0.808 592 E CB -0.180 29.506 29.700 -0.023 0.000 0.768 592 E HN 0.451 nan 8.360 nan 0.000 0.453 593 V N -0.358 119.379 119.914 -0.294 0.000 2.392 593 V HA -0.161 3.844 4.120 -0.192 0.000 0.249 593 V C 2.317 177.956 176.094 -0.758 0.000 1.059 593 V CA 1.812 63.766 62.300 -0.577 0.000 1.051 593 V CB -1.096 30.192 31.823 -0.892 0.000 0.658 593 V HN 0.335 nan 8.190 nan 0.000 0.455 594 A N 1.286 123.856 122.820 -0.417 0.000 1.902 594 A HA 0.078 4.283 4.320 -0.192 0.000 0.217 594 A C 2.405 180.029 177.584 0.067 0.000 1.181 594 A CA 1.997 53.997 52.037 -0.062 0.000 0.623 594 A CB -1.526 17.629 19.000 0.259 0.000 0.818 594 A HN 0.724 nan 8.150 nan 0.000 0.443 595 G N -0.911 107.987 108.800 0.162 0.000 2.433 595 G HA2 -0.250 3.595 3.960 -0.192 0.000 0.216 595 G HA3 -0.250 3.595 3.960 -0.192 0.000 0.216 595 G C 1.608 176.756 174.900 0.413 0.000 1.186 595 G CA 0.986 46.339 45.100 0.421 0.000 0.779 595 G HN 0.600 nan 8.290 nan 0.000 0.543 596 Q N -0.708 119.264 119.800 0.287 0.000 2.096 596 Q HA -0.128 4.097 4.340 -0.192 0.000 0.204 596 Q C 2.441 178.731 176.000 0.482 0.000 0.982 596 Q CA 1.154 57.223 55.803 0.444 0.000 0.850 596 Q CB -0.289 28.722 28.738 0.456 0.000 0.901 596 Q HN 0.434 nan 8.270 nan 0.000 0.422 597 F N 0.149 120.208 119.950 0.181 0.000 2.063 597 F HA -0.250 4.163 4.527 -0.191 0.000 0.298 597 F C 2.387 178.259 175.800 0.121 0.000 1.109 597 F CA 0.873 58.944 58.000 0.118 0.000 1.212 597 F CB -1.227 37.835 39.000 0.103 0.000 0.973 597 F HN -0.095 nan 8.300 nan 0.000 0.480 598 V N 0.512 120.609 119.914 0.304 0.000 2.261 598 V HA -0.300 3.705 4.120 -0.192 0.000 0.246 598 V C 2.489 178.741 176.094 0.263 0.000 1.047 598 V CA 1.822 64.188 62.300 0.110 0.000 1.015 598 V CB -0.730 30.916 31.823 -0.295 0.000 0.642 598 V HN 0.247 nan 8.190 nan 0.000 0.446 599 I N -0.487 120.336 120.570 0.423 0.000 2.127 599 I HA -0.252 3.803 4.170 -0.192 0.000 0.241 599 I C 2.708 179.108 176.117 0.472 0.000 1.075 599 I CA 1.520 63.125 61.300 0.509 0.000 1.334 599 I CB -0.560 37.721 38.000 0.468 0.000 1.040 599 I HN 0.241 nan 8.210 nan 0.000 0.405 600 K N 0.948 121.575 120.400 0.378 0.000 2.032 600 K HA -0.105 4.100 4.320 -0.192 0.000 0.209 600 K C 1.982 178.684 176.600 0.170 0.000 1.048 600 K CA 1.438 57.839 56.287 0.190 0.000 0.927 600 K CB -0.638 31.873 32.500 0.018 0.000 0.712 600 K HN 0.367 nan 8.250 nan 0.000 0.441 601 L N 1.050 122.400 121.223 0.211 0.000 2.622 601 L HA -0.082 4.143 4.340 -0.192 0.000 0.233 601 L C 1.390 178.438 176.870 0.298 0.000 1.156 601 L CA 0.700 55.691 54.840 0.253 0.000 0.866 601 L CB -0.257 42.027 42.059 0.375 0.000 0.980 601 L HN 0.203 nan 8.230 nan 0.000 0.448 602 T N -4.214 110.512 114.554 0.288 0.000 3.176 602 T HA -0.053 4.181 4.350 -0.192 0.000 0.259 602 T C 1.603 176.468 174.700 0.275 0.000 0.978 602 T CA 0.075 62.344 62.100 0.281 0.000 1.050 602 T CB -0.184 68.873 68.868 0.315 0.000 1.136 602 T HN 0.345 nan 8.240 nan 0.000 0.465 603 H N 2.333 121.582 119.070 0.299 0.000 2.278 603 H HA -0.162 4.281 4.556 -0.189 0.000 0.287 603 H C -0.414 175.004 175.328 0.150 0.000 1.107 603 H CA 1.999 58.216 56.048 0.282 0.000 1.192 603 H CB -0.307 29.632 29.762 0.296 0.000 1.346 603 H HN 0.354 nan 8.280 nan 0.000 0.478 604 D N -0.361 119.815 120.400 -0.373 0.000 2.340 604 D HA 0.133 4.658 4.640 -0.192 0.000 0.251 604 D C 1.080 177.286 176.300 -0.156 0.000 1.080 604 D CA 0.184 53.934 54.000 -0.417 0.000 0.971 604 D CB 2.346 42.844 40.800 -0.503 0.000 1.137 604 D HN 0.117 nan 8.370 nan 0.000 0.475 605 V N 0.118 119.963 119.914 -0.114 0.000 2.719 605 V HA -0.073 3.932 4.120 -0.192 0.000 0.252 605 V C -0.137 175.927 176.094 -0.049 0.000 1.065 605 V CA 1.289 63.560 62.300 -0.048 0.000 1.086 605 V CB -0.400 31.415 31.823 -0.013 0.000 0.700 605 V HN 0.462 nan 8.190 nan 0.000 0.467 606 E N 1.672 121.811 120.200 -0.102 0.000 2.259 606 E HA 0.309 4.544 4.350 -0.192 0.000 0.281 606 E C -0.291 176.202 176.600 -0.178 0.000 1.027 606 E CA -0.345 55.970 56.400 -0.141 0.000 0.838 606 E CB 0.895 30.422 29.700 -0.289 0.000 1.066 606 E HN 0.143 nan 8.360 nan 0.000 0.401 607 L N 3.993 125.133 121.223 -0.140 0.000 2.485 607 L HA 0.126 4.351 4.340 -0.192 0.000 0.279 607 L C -0.671 176.097 176.870 -0.169 0.000 1.124 607 L CA 0.073 54.792 54.840 -0.203 0.000 0.888 607 L CB -0.252 41.684 42.059 -0.204 0.000 1.217 607 L HN 0.505 nan 8.230 nan 0.000 0.464 608 N N 7.198 125.797 118.700 -0.169 0.000 2.807 608 N HA 0.240 4.865 4.740 -0.192 0.000 0.259 608 N C -0.605 174.859 175.510 -0.077 0.000 1.149 608 N CA 0.080 53.044 53.050 -0.143 0.000 1.042 608 N CB 0.465 38.859 38.487 -0.156 0.000 1.367 608 N HN 0.558 nan 8.380 nan 0.000 0.516 609 L N 0.643 121.859 121.223 -0.013 0.000 2.365 609 L HA 0.327 4.551 4.340 -0.192 0.000 0.273 609 L C -0.119 176.757 176.870 0.009 0.000 1.000 609 L CA -0.923 53.945 54.840 0.047 0.000 0.819 609 L CB 1.975 44.123 42.059 0.149 0.000 1.284 609 L HN 0.075 nan 8.230 nan 0.000 0.418 610 D N 1.720 122.104 120.400 -0.027 0.000 2.671 610 D HA 0.014 4.539 4.640 -0.192 0.000 0.228 610 D C 0.833 177.103 176.300 -0.050 0.000 1.102 610 D CA 0.120 54.048 54.000 -0.119 0.000 1.044 610 D CB -0.053 40.718 40.800 -0.050 0.000 1.113 610 D HN 0.371 nan 8.370 nan 0.000 0.480 611 Y N -0.583 119.805 120.300 0.145 0.000 2.639 611 Y HA 0.007 4.446 4.550 -0.184 0.000 0.297 611 Y C 1.297 177.328 175.900 0.219 0.000 1.151 611 Y CA 0.297 58.540 58.100 0.237 0.000 1.335 611 Y CB -0.579 37.997 38.460 0.192 0.000 0.994 611 Y HN 0.156 nan 8.280 nan 0.000 0.548 612 E N 0.891 120.996 120.200 -0.159 0.000 2.051 612 E HA -0.128 4.106 4.350 -0.192 0.000 0.189 612 E C 1.778 178.384 176.600 0.011 0.000 0.979 612 E CA 0.834 57.190 56.400 -0.074 0.000 0.803 612 E CB -0.184 29.401 29.700 -0.192 0.000 0.761 612 E HN 0.473 nan 8.360 nan 0.000 0.451 613 E N 0.467 120.642 120.200 -0.041 0.000 2.352 613 E HA -0.225 4.010 4.350 -0.192 0.000 0.203 613 E C 1.510 178.011 176.600 -0.165 0.000 1.024 613 E CA 1.109 57.445 56.400 -0.106 0.000 0.842 613 E CB -0.235 29.370 29.700 -0.158 0.000 0.753 613 E HN 0.483 nan 8.360 nan 0.000 0.508 614 Y N 0.710 121.015 120.300 0.008 0.000 2.516 614 Y HA -0.036 4.400 4.550 -0.191 0.000 0.291 614 Y C 2.191 178.093 175.900 0.003 0.000 1.131 614 Y CA 0.413 58.456 58.100 -0.095 0.000 1.281 614 Y CB 0.161 38.576 38.460 -0.075 0.000 1.013 614 Y HN 0.029 nan 8.280 nan 0.000 0.554 615 N N -0.545 118.297 118.700 0.237 0.000 2.106 615 N HA -0.153 4.472 4.740 -0.192 0.000 0.188 615 N C 1.918 177.547 175.510 0.200 0.000 1.029 615 N CA 1.609 54.799 53.050 0.233 0.000 0.848 615 N CB -0.325 38.167 38.487 0.008 0.000 1.007 615 N HN 0.200 nan 8.380 nan 0.000 0.423 616 S N 1.319 117.089 115.700 0.116 0.000 2.343 616 S HA -0.106 4.249 4.470 -0.192 0.000 0.219 616 S C 1.824 176.482 174.600 0.096 0.000 1.033 616 S CA 0.903 59.163 58.200 0.100 0.000 1.014 616 S CB -0.309 62.913 63.200 0.037 0.000 0.915 616 S HN 0.312 nan 8.310 nan 0.000 0.435 617 Q N 0.311 120.125 119.800 0.024 0.000 2.217 617 Q HA -0.083 4.142 4.340 -0.192 0.000 0.209 617 Q C 2.106 178.274 176.000 0.281 0.000 0.988 617 Q CA 0.994 56.842 55.803 0.075 0.000 0.878 617 Q CB -0.538 28.065 28.738 -0.225 0.000 0.909 617 Q HN 0.356 nan 8.270 nan 0.000 0.424 618 L N -0.059 121.315 121.223 0.252 0.000 2.162 618 L HA -0.017 4.208 4.340 -0.192 0.000 0.205 618 L C 2.168 179.187 176.870 0.249 0.000 1.086 618 L CA 0.998 56.015 54.840 0.295 0.000 0.778 618 L CB -0.772 41.424 42.059 0.228 0.000 0.928 618 L HN 0.226 nan 8.230 nan 0.000 0.446 619 L N -1.732 119.614 121.223 0.206 0.000 2.046 619 L HA -0.178 4.047 4.340 -0.192 0.000 0.208 619 L C 2.575 179.513 176.870 0.115 0.000 1.077 619 L CA 1.794 56.725 54.840 0.152 0.000 0.747 619 L CB -0.482 41.677 42.059 0.166 0.000 0.896 619 L HN 0.293 nan 8.230 nan 0.000 0.432 620 S N -0.612 115.170 115.700 0.137 0.000 2.374 620 S HA -0.287 4.068 4.470 -0.192 0.000 0.227 620 S C 1.889 176.562 174.600 0.122 0.000 1.037 620 S CA 1.809 60.079 58.200 0.117 0.000 1.024 620 S CB -0.697 62.579 63.200 0.127 0.000 0.861 620 S HN 0.624 nan 8.310 nan 0.000 0.456 621 F N 2.492 122.438 119.950 -0.006 0.000 2.051 621 F HA -0.091 4.321 4.527 -0.191 0.000 0.296 621 F C 2.146 177.909 175.800 -0.062 0.000 1.122 621 F CA 1.846 59.806 58.000 -0.066 0.000 1.201 621 F CB -1.113 37.795 39.000 -0.153 0.000 0.978 621 F HN 0.067 nan 8.300 nan 0.000 0.472 622 V N 1.660 121.389 119.914 -0.308 0.000 2.317 622 V HA -0.365 3.640 4.120 -0.192 0.000 0.251 622 V C 2.717 178.623 176.094 -0.313 0.000 1.065 622 V CA 2.172 64.186 62.300 -0.476 0.000 1.049 622 V CB -0.904 30.726 31.823 -0.321 0.000 0.651 622 V HN 0.302 nan 8.190 nan 0.000 0.450 623 R N 0.069 120.485 120.500 -0.139 0.000 2.082 623 R HA -0.163 4.062 4.340 -0.192 0.000 0.228 623 R C 2.181 178.446 176.300 -0.059 0.000 1.140 623 R CA 1.867 57.930 56.100 -0.061 0.000 0.920 623 R CB -1.391 28.908 30.300 -0.001 0.000 0.828 623 R HN 0.534 nan 8.270 nan 0.000 0.430 624 D N 0.902 121.282 120.400 -0.032 0.000 2.203 624 D HA -0.180 4.345 4.640 -0.192 0.000 0.199 624 D C 1.828 178.183 176.300 0.090 0.000 0.997 624 D CA 0.852 54.877 54.000 0.042 0.000 0.863 624 D CB -0.046 40.801 40.800 0.079 0.000 0.928 624 D HN 0.048 nan 8.370 nan 0.000 0.458 625 L N 0.802 121.945 121.223 -0.132 0.000 2.156 625 L HA -0.027 4.198 4.340 -0.192 0.000 0.208 625 L C 1.579 178.494 176.870 0.075 0.000 1.095 625 L CA 1.387 56.160 54.840 -0.111 0.000 0.770 625 L CB -0.715 41.010 42.059 -0.556 0.000 0.914 625 L HN -0.054 nan 8.230 nan 0.000 0.439 626 N N -0.180 118.513 118.700 -0.012 0.000 2.520 626 N HA -0.136 4.489 4.740 -0.192 0.000 0.185 626 N C 1.425 176.932 175.510 -0.005 0.000 1.068 626 N CA 0.634 53.699 53.050 0.025 0.000 0.911 626 N CB -0.100 38.401 38.487 0.023 0.000 0.961 626 N HN 0.614 nan 8.380 nan 0.000 0.446 627 Q N -0.717 119.049 119.800 -0.056 0.000 2.488 627 Q HA -0.047 4.178 4.340 -0.192 0.000 0.211 627 Q C 0.140 175.803 176.000 -0.561 0.000 0.967 627 Q CA 0.699 56.314 55.803 -0.314 0.000 0.926 627 Q CB 0.092 28.567 28.738 -0.439 0.000 0.992 627 Q HN 0.535 nan 8.270 nan 0.000 0.506 628 Y N -1.508 118.757 120.300 -0.057 0.000 2.682 628 Y HA 0.267 4.702 4.550 -0.192 0.000 0.251 628 Y C 1.539 177.407 175.900 -0.053 0.000 1.172 628 Y CA -0.610 57.445 58.100 -0.075 0.000 1.186 628 Y CB 0.237 38.635 38.460 -0.103 0.000 1.216 628 Y HN -0.069 nan 8.280 nan 0.000 0.540 629 R N 0.852 121.392 120.500 0.066 0.000 2.170 629 R HA -0.218 4.007 4.340 -0.192 0.000 0.242 629 R C 2.116 178.438 176.300 0.037 0.000 1.145 629 R CA 1.277 57.415 56.100 0.064 0.000 0.984 629 R CB -0.028 30.298 30.300 0.044 0.000 0.869 629 R HN 0.457 nan 8.270 nan 0.000 0.455 630 A N 0.983 123.805 122.820 0.004 0.000 1.841 630 A HA -0.178 4.027 4.320 -0.192 0.000 0.214 630 A C 1.703 179.280 177.584 -0.011 0.000 1.195 630 A CA 1.706 53.735 52.037 -0.013 0.000 0.611 630 A CB -0.515 18.461 19.000 -0.040 0.000 0.835 630 A HN 0.303 nan 8.150 nan 0.000 0.443 631 D N 0.140 120.527 120.400 -0.022 0.000 2.104 631 D HA -0.141 4.384 4.640 -0.192 0.000 0.194 631 D C 1.918 178.193 176.300 -0.041 0.000 0.994 631 D CA 1.259 55.214 54.000 -0.076 0.000 0.830 631 D CB -0.295 40.411 40.800 -0.156 0.000 0.959 631 D HN 0.305 nan 8.370 nan 0.000 0.452 632 I N 1.139 121.722 120.570 0.020 0.000 2.423 632 I HA -0.212 3.843 4.170 -0.192 0.000 0.254 632 I C 2.284 178.456 176.117 0.092 0.000 1.151 632 I CA 1.035 62.392 61.300 0.096 0.000 1.421 632 I CB -0.706 37.383 38.000 0.150 0.000 1.079 632 I HN -0.045 nan 8.210 nan 0.000 0.431 633 K N 1.087 121.520 120.400 0.056 0.000 2.098 633 K HA -0.075 4.130 4.320 -0.192 0.000 0.203 633 K C 1.891 178.516 176.600 0.041 0.000 1.051 633 K CA 0.862 57.178 56.287 0.049 0.000 0.957 633 K CB -0.016 32.502 32.500 0.030 0.000 0.738 633 K HN 0.349 nan 8.250 nan 0.000 0.447 634 E N 0.118 120.332 120.200 0.022 0.000 2.130 634 E HA -0.133 4.102 4.350 -0.192 0.000 0.196 634 E C 0.448 177.074 176.600 0.043 0.000 0.998 634 E CA 0.845 57.257 56.400 0.019 0.000 0.806 634 E CB -0.011 29.686 29.700 -0.005 0.000 0.738 634 E HN 0.262 nan 8.360 nan 0.000 0.459 635 M N -0.370 119.267 119.600 0.061 0.000 2.274 635 M HA 0.146 4.510 4.480 -0.192 0.000 0.344 635 M C 1.353 177.717 176.300 0.108 0.000 1.161 635 M CA -0.149 55.212 55.300 0.101 0.000 1.126 635 M CB 1.247 33.937 32.600 0.149 0.000 1.522 635 M HN -0.004 nan 8.290 nan 0.000 0.461 636 G N 2.835 111.700 108.800 0.108 0.000 2.564 636 G HA2 -0.019 3.826 3.960 -0.192 0.000 0.216 636 G HA3 -0.019 3.826 3.960 -0.192 0.000 0.216 636 G C 0.621 175.604 174.900 0.137 0.000 1.124 636 G CA -0.005 45.158 45.100 0.106 0.000 0.764 636 G HN 0.592 nan 8.290 nan 0.000 0.550 637 L N 1.073 122.396 121.223 0.167 0.000 2.615 637 L HA -0.033 4.192 4.340 -0.192 0.000 0.284 637 L C 1.837 178.830 176.870 0.204 0.000 1.237 637 L CA 0.035 54.999 54.840 0.206 0.000 0.905 637 L CB 0.716 42.927 42.059 0.254 0.000 1.149 637 L HN 0.173 nan 8.230 nan 0.000 0.499 638 S N 3.248 119.106 115.700 0.262 0.000 2.486 638 S HA 0.002 4.356 4.470 -0.192 0.000 0.220 638 S C 1.376 176.112 174.600 0.227 0.000 1.011 638 S CA 0.242 58.574 58.200 0.220 0.000 0.921 638 S CB -0.144 63.198 63.200 0.236 0.000 0.785 638 S HN 0.633 nan 8.310 nan 0.000 0.517 639 L N 0.986 122.392 121.223 0.305 0.000 4.312 639 L HA -0.300 3.925 4.340 -0.192 0.000 0.427 639 L C 1.166 178.268 176.870 0.388 0.000 1.149 639 L CA 1.578 56.605 54.840 0.312 0.000 0.978 639 L CB -1.075 41.156 42.059 0.287 0.000 1.963 639 L HN 0.503 nan 8.230 nan 0.000 0.970 640 Q N -0.879 119.082 119.800 0.268 0.000 2.163 640 Q HA -0.102 4.123 4.340 -0.192 0.000 0.198 640 Q C 1.703 177.782 176.000 0.132 0.000 0.954 640 Q CA 1.962 57.831 55.803 0.110 0.000 0.851 640 Q CB -0.222 28.444 28.738 -0.122 0.000 0.928 640 Q HN 0.697 nan 8.270 nan 0.000 0.459 641 W N 0.088 121.488 121.300 0.166 0.000 2.392 641 W HA -0.115 4.429 4.660 -0.193 0.000 0.279 641 W C 1.685 178.127 176.519 -0.129 0.000 1.225 641 W CA 0.696 58.033 57.345 -0.013 0.000 1.233 641 W CB -0.297 29.107 29.460 -0.093 0.000 1.122 641 W HN 0.335 nan 8.180 nan 0.000 0.561 642 L N -0.206 121.124 121.223 0.178 0.000 2.027 642 L HA -0.188 4.036 4.340 -0.192 0.000 0.206 642 L C 2.149 179.032 176.870 0.022 0.000 1.074 642 L CA 1.944 56.809 54.840 0.041 0.000 0.745 642 L CB -1.436 40.621 42.059 -0.003 0.000 0.898 642 L HN -0.136 nan 8.230 nan 0.000 0.433 643 Y N -0.248 120.037 120.300 -0.026 0.000 2.165 643 Y HA -0.206 4.229 4.550 -0.192 0.000 0.286 643 Y C 2.770 178.621 175.900 -0.082 0.000 1.155 643 Y CA 1.600 59.677 58.100 -0.038 0.000 1.164 643 Y CB -1.090 37.335 38.460 -0.058 0.000 0.978 643 Y HN 0.201 nan 8.280 nan 0.000 0.513 644 S N 0.017 115.705 115.700 -0.020 0.000 2.359 644 S HA -0.280 4.075 4.470 -0.192 0.000 0.224 644 S C 2.381 176.941 174.600 -0.067 0.000 1.035 644 S CA 1.155 59.232 58.200 -0.206 0.000 1.018 644 S CB -0.860 61.976 63.200 -0.606 0.000 0.876 644 S HN 0.534 nan 8.310 nan 0.000 0.448 645 A N 2.392 125.189 122.820 -0.038 0.000 1.851 645 A HA -0.192 4.013 4.320 -0.192 0.000 0.216 645 A C 2.054 179.717 177.584 0.131 0.000 1.195 645 A CA 2.202 54.256 52.037 0.029 0.000 0.622 645 A CB -0.820 18.166 19.000 -0.023 0.000 0.831 645 A HN 0.453 nan 8.150 nan 0.000 0.444 646 R N 0.007 120.580 120.500 0.121 0.000 2.133 646 R HA -0.127 4.098 4.340 -0.192 0.000 0.247 646 R C 1.942 178.424 176.300 0.304 0.000 1.151 646 R CA 2.487 58.708 56.100 0.201 0.000 0.971 646 R CB -1.160 29.218 30.300 0.130 0.000 0.866 646 R HN 0.403 nan 8.270 nan 0.000 0.447 647 G N -0.615 108.308 108.800 0.204 0.000 2.408 647 G HA2 -0.176 3.669 3.960 -0.192 0.000 0.213 647 G HA3 -0.176 3.669 3.960 -0.192 0.000 0.213 647 G C 0.957 175.986 174.900 0.215 0.000 1.177 647 G CA 0.567 45.783 45.100 0.193 0.000 0.802 647 G HN 0.371 nan 8.290 nan 0.000 0.533 648 D N -0.524 119.966 120.400 0.150 0.000 2.228 648 D HA -0.106 4.419 4.640 -0.192 0.000 0.203 648 D C 1.756 178.170 176.300 0.189 0.000 0.988 648 D CA 0.570 54.649 54.000 0.132 0.000 0.864 648 D CB -0.125 40.733 40.800 0.095 0.000 0.928 648 D HN 0.304 nan 8.370 nan 0.000 0.469 649 F N -0.924 119.100 119.950 0.122 0.000 2.219 649 F HA 0.042 4.454 4.527 -0.191 0.000 0.294 649 F C 1.854 177.759 175.800 0.175 0.000 1.086 649 F CA 0.459 58.532 58.000 0.122 0.000 1.330 649 F CB -0.295 38.794 39.000 0.149 0.000 1.047 649 F HN -0.101 nan 8.300 nan 0.000 0.495 650 F N 1.388 121.492 119.950 0.257 0.000 2.065 650 F HA -0.253 4.160 4.527 -0.190 0.000 0.298 650 F C 2.606 178.420 175.800 0.024 0.000 1.112 650 F CA 1.969 60.068 58.000 0.166 0.000 1.212 650 F CB -0.349 38.756 39.000 0.175 0.000 0.975 650 F HN -0.199 nan 8.300 nan 0.000 0.476 651 R N 0.076 120.765 120.500 0.315 0.000 2.096 651 R HA -0.234 3.991 4.340 -0.192 0.000 0.240 651 R C 2.437 178.746 176.300 0.015 0.000 1.139 651 R CA 1.345 57.547 56.100 0.169 0.000 0.952 651 R CB -1.084 29.280 30.300 0.107 0.000 0.854 651 R HN 0.422 nan 8.270 nan 0.000 0.436 652 A N 0.880 123.646 122.820 -0.091 0.000 1.915 652 A HA -0.281 3.924 4.320 -0.192 0.000 0.220 652 A C 2.339 179.759 177.584 -0.273 0.000 1.198 652 A CA 2.634 54.536 52.037 -0.224 0.000 0.647 652 A CB -1.264 17.512 19.000 -0.372 0.000 0.825 652 A HN 0.613 nan 8.150 nan 0.000 0.456 653 T N -3.409 110.946 114.554 -0.331 0.000 2.821 653 T HA -0.114 4.121 4.350 -0.192 0.000 0.267 653 T C 2.035 176.728 174.700 -0.011 0.000 1.046 653 T CA 1.907 63.890 62.100 -0.194 0.000 1.139 653 T CB -0.627 68.150 68.868 -0.152 0.000 0.871 653 T HN 0.445 nan 8.240 nan 0.000 0.454 654 S N 0.855 116.554 115.700 -0.003 0.000 2.399 654 S HA -0.072 4.283 4.470 -0.192 0.000 0.231 654 S C 2.310 176.944 174.600 0.056 0.000 1.022 654 S CA 0.674 58.922 58.200 0.080 0.000 0.983 654 S CB -0.378 62.922 63.200 0.166 0.000 0.803 654 S HN 0.578 nan 8.310 nan 0.000 0.480 655 R N -0.010 120.489 120.500 -0.002 0.000 2.057 655 R HA 0.042 4.267 4.340 -0.192 0.000 0.229 655 R C 2.378 178.645 176.300 -0.055 0.000 1.136 655 R CA 1.354 57.438 56.100 -0.027 0.000 0.952 655 R CB -0.838 29.425 30.300 -0.062 0.000 0.848 655 R HN 0.408 nan 8.270 nan 0.000 0.430 656 L N 0.968 122.115 121.223 -0.126 0.000 2.013 656 L HA -0.210 4.015 4.340 -0.192 0.000 0.212 656 L C 2.274 179.167 176.870 0.038 0.000 1.073 656 L CA 2.146 56.861 54.840 -0.209 0.000 0.753 656 L CB -1.013 40.787 42.059 -0.433 0.000 0.890 656 L HN 0.109 nan 8.230 nan 0.000 0.432 657 T N -2.082 112.598 114.554 0.211 0.000 2.929 657 T HA -0.138 4.097 4.350 -0.192 0.000 0.271 657 T C 1.567 176.406 174.700 0.232 0.000 1.085 657 T CA 1.805 64.121 62.100 0.361 0.000 1.125 657 T CB -0.231 68.809 68.868 0.286 0.000 0.874 657 T HN 0.603 nan 8.240 nan 0.000 0.494 658 T N 0.845 115.478 114.554 0.132 0.000 2.818 658 T HA -0.008 4.227 4.350 -0.192 0.000 0.246 658 T C 1.612 176.361 174.700 0.081 0.000 1.036 658 T CA 0.742 62.899 62.100 0.096 0.000 1.160 658 T CB -0.453 68.450 68.868 0.057 0.000 0.869 658 T HN 0.290 nan 8.240 nan 0.000 0.419 659 D N 0.872 121.276 120.400 0.007 0.000 2.218 659 D HA -0.141 4.384 4.640 -0.192 0.000 0.194 659 D C 1.734 178.029 176.300 -0.008 0.000 1.007 659 D CA 1.255 55.225 54.000 -0.050 0.000 0.879 659 D CB -0.430 40.271 40.800 -0.166 0.000 0.918 659 D HN 0.358 nan 8.370 nan 0.000 0.449 660 F N 0.984 120.940 119.950 0.009 0.000 2.046 660 F HA -0.157 4.258 4.527 -0.187 0.000 0.297 660 F C 2.746 178.558 175.800 0.020 0.000 1.123 660 F CA 1.320 59.331 58.000 0.017 0.000 1.199 660 F CB -0.528 38.496 39.000 0.041 0.000 0.972 660 F HN 0.031 nan 8.300 nan 0.000 0.474 661 G N -0.156 108.794 108.800 0.250 0.000 2.469 661 G HA2 -0.298 3.547 3.960 -0.192 0.000 0.220 661 G HA3 -0.298 3.547 3.960 -0.192 0.000 0.220 661 G C 1.344 176.305 174.900 0.102 0.000 1.136 661 G CA 1.265 46.448 45.100 0.138 0.000 0.759 661 G HN 0.289 nan 8.290 nan 0.000 0.562 662 N N 1.051 119.805 118.700 0.089 0.000 2.494 662 N HA 0.128 4.753 4.740 -0.192 0.000 0.182 662 N C 1.015 176.562 175.510 0.060 0.000 1.076 662 N CA 0.662 53.748 53.050 0.060 0.000 0.908 662 N CB 0.078 38.590 38.487 0.042 0.000 0.967 662 N HN 0.378 nan 8.380 nan 0.000 0.449 663 A N 1.149 124.018 122.820 0.080 0.000 2.302 663 A HA 0.407 4.612 4.320 -0.192 0.000 0.285 663 A C -0.297 177.341 177.584 0.090 0.000 1.105 663 A CA -0.490 51.594 52.037 0.079 0.000 0.816 663 A CB 0.476 19.522 19.000 0.078 0.000 1.067 663 A HN 0.076 nan 8.150 nan 0.000 0.489 664 E N 0.969 121.214 120.200 0.076 0.000 2.197 664 E HA 0.364 4.598 4.350 -0.192 0.000 0.281 664 E C -0.539 176.105 176.600 0.073 0.000 0.995 664 E CA -0.561 55.880 56.400 0.068 0.000 0.808 664 E CB 0.888 30.621 29.700 0.055 0.000 1.093 664 E HN 0.512 nan 8.360 nan 0.000 0.394 665 K N 1.273 121.712 120.400 0.065 0.000 2.720 665 K HA -0.014 4.191 4.320 -0.192 0.000 0.206 665 K C 0.190 176.821 176.600 0.051 0.000 1.000 665 K CA 0.589 56.910 56.287 0.057 0.000 1.067 665 K CB -0.219 32.305 32.500 0.039 0.000 0.861 665 K HN 0.448 nan 8.250 nan 0.000 0.492 666 T N -0.597 113.990 114.554 0.055 0.000 2.964 666 T HA -0.044 4.191 4.350 -0.192 0.000 0.249 666 T C 0.270 175.005 174.700 0.059 0.000 1.000 666 T CA -0.143 61.987 62.100 0.051 0.000 0.992 666 T CB 0.295 69.190 68.868 0.045 0.000 1.087 666 T HN 0.148 nan 8.240 nan 0.000 0.489 667 D N 2.407 122.850 120.400 0.071 0.000 2.551 667 D HA 0.115 4.639 4.640 -0.192 0.000 0.223 667 D C 1.364 177.734 176.300 0.118 0.000 1.144 667 D CA -0.157 53.900 54.000 0.095 0.000 1.025 667 D CB 0.099 40.962 40.800 0.105 0.000 1.085 667 D HN 0.101 nan 8.370 nan 0.000 0.506 668 R N 1.874 122.434 120.500 0.100 0.000 2.228 668 R HA -0.248 3.977 4.340 -0.192 0.000 0.259 668 R C 1.554 177.915 176.300 0.103 0.000 1.183 668 R CA 1.303 57.454 56.100 0.084 0.000 1.002 668 R CB -0.190 30.153 30.300 0.071 0.000 0.879 668 R HN 0.440 nan 8.270 nan 0.000 0.467 669 F N 0.402 120.350 119.950 -0.004 0.000 2.094 669 F HA -0.172 4.351 4.527 -0.007 0.000 0.291 669 F C 2.177 177.965 175.800 -0.019 0.000 1.109 669 F CA 1.589 59.581 58.000 -0.013 0.000 1.221 669 F CB -0.606 38.385 39.000 -0.015 0.000 1.014 669 F HN -0.123 nan 8.300 nan 0.000 0.473 670 V N -1.027 119.077 119.914 0.316 0.000 2.490 670 V HA -0.248 3.757 4.120 -0.192 0.000 0.250 670 V C 2.166 178.241 176.094 -0.031 0.000 1.061 670 V CA 1.697 64.079 62.300 0.138 0.000 1.064 670 V CB -0.858 31.061 31.823 0.161 0.000 0.670 670 V HN 0.401 nan 8.190 nan 0.000 0.461 671 M N 0.119 119.726 119.600 0.013 0.000 2.156 671 M HA -0.014 4.351 4.480 -0.192 0.000 0.264 671 M C 2.297 178.581 176.300 -0.026 0.000 1.067 671 M CA 1.799 57.117 55.300 0.031 0.000 1.131 671 M CB -1.184 31.466 32.600 0.082 0.000 1.368 671 M HN 0.415 nan 8.290 nan 0.000 0.416 672 K N 0.988 121.340 120.400 -0.080 0.000 2.063 672 K HA -0.197 4.008 4.320 -0.192 0.000 0.208 672 K C 1.949 178.447 176.600 -0.170 0.000 1.048 672 K CA 1.409 57.630 56.287 -0.109 0.000 0.928 672 K CB -0.260 32.144 32.500 -0.160 0.000 0.713 672 K HN 0.284 nan 8.250 nan 0.000 0.442 673 K N 0.611 120.830 120.400 -0.301 0.000 2.147 673 K HA -0.094 4.111 4.320 -0.192 0.000 0.205 673 K C 2.188 178.643 176.600 -0.242 0.000 1.049 673 K CA 0.858 56.960 56.287 -0.307 0.000 0.936 673 K CB 0.052 32.319 32.500 -0.388 0.000 0.722 673 K HN 0.117 nan 8.250 nan 0.000 0.446 674 L N 0.448 121.513 121.223 -0.263 0.000 2.084 674 L HA -0.110 4.115 4.340 -0.192 0.000 0.202 674 L C 2.098 178.835 176.870 -0.221 0.000 1.074 674 L CA 0.688 55.279 54.840 -0.416 0.000 0.757 674 L CB -0.721 40.840 42.059 -0.830 0.000 0.918 674 L HN 0.172 nan 8.230 nan 0.000 0.444 675 N N 0.442 119.135 118.700 -0.011 0.000 2.132 675 N HA -0.223 4.402 4.740 -0.192 0.000 0.191 675 N C 1.378 176.902 175.510 0.023 0.000 1.015 675 N CA 1.547 54.659 53.050 0.102 0.000 0.864 675 N CB -0.365 38.183 38.487 0.101 0.000 1.006 675 N HN 0.363 nan 8.380 nan 0.000 0.430 676 D N 0.644 121.046 120.400 0.003 0.000 2.144 676 D HA -0.081 4.444 4.640 -0.192 0.000 0.199 676 D C 1.985 178.272 176.300 -0.021 0.000 0.984 676 D CA 0.632 54.640 54.000 0.013 0.000 0.834 676 D CB 0.026 40.831 40.800 0.007 0.000 0.955 676 D HN 0.323 nan 8.370 nan 0.000 0.465 677 R N 0.596 121.043 120.500 -0.088 0.000 2.081 677 R HA -0.068 4.157 4.340 -0.192 0.000 0.235 677 R C 2.476 178.722 176.300 -0.089 0.000 1.131 677 R CA 0.600 56.627 56.100 -0.122 0.000 0.960 677 R CB -0.703 29.459 30.300 -0.231 0.000 0.856 677 R HN 0.125 nan 8.270 nan 0.000 0.436 678 V N 1.610 121.482 119.914 -0.069 0.000 2.332 678 V HA -0.258 3.747 4.120 -0.192 0.000 0.248 678 V C 2.403 178.550 176.094 0.088 0.000 1.055 678 V CA 1.748 64.058 62.300 0.017 0.000 1.038 678 V CB -0.443 31.471 31.823 0.151 0.000 0.651 678 V HN 0.300 nan 8.190 nan 0.000 0.450 679 M N -0.854 118.780 119.600 0.058 0.000 2.539 679 M HA -0.122 4.243 4.480 -0.192 0.000 0.261 679 M C 2.181 178.566 176.300 0.141 0.000 1.069 679 M CA 1.435 56.784 55.300 0.082 0.000 1.081 679 M CB -0.116 32.473 32.600 -0.018 0.000 1.412 679 M HN 0.265 nan 8.290 nan 0.000 0.482 680 R N -1.571 119.011 120.500 0.137 0.000 2.128 680 R HA 0.032 4.256 4.340 -0.192 0.000 0.211 680 R C 1.955 178.398 176.300 0.239 0.000 1.067 680 R CA 0.662 56.891 56.100 0.214 0.000 1.010 680 R CB -0.326 30.138 30.300 0.274 0.000 0.922 680 R HN 0.202 nan 8.270 nan 0.000 0.457 681 V N 1.977 121.999 119.914 0.180 0.000 2.226 681 V HA -0.363 3.642 4.120 -0.192 0.000 0.254 681 V C 2.307 178.526 176.094 0.207 0.000 1.065 681 V CA 2.465 64.884 62.300 0.198 0.000 1.039 681 V CB -0.555 31.433 31.823 0.275 0.000 0.653 681 V HN 0.320 nan 8.190 nan 0.000 0.450 682 E N -0.760 119.592 120.200 0.254 0.000 2.031 682 E HA -0.254 3.981 4.350 -0.192 0.000 0.193 682 E C 2.081 178.834 176.600 0.254 0.000 0.994 682 E CA 1.886 58.469 56.400 0.305 0.000 0.800 682 E CB -0.572 29.328 29.700 0.334 0.000 0.752 682 E HN 0.673 nan 8.360 nan 0.000 0.447 683 Y N 0.659 120.959 120.300 0.001 0.000 2.128 683 Y HA -0.254 4.184 4.550 -0.188 0.000 0.284 683 Y C 2.034 177.766 175.900 -0.281 0.000 1.154 683 Y CA 2.286 60.255 58.100 -0.220 0.000 1.149 683 Y CB -0.418 37.623 38.460 -0.697 0.000 0.976 683 Y HN 0.267 nan 8.280 nan 0.000 0.505 684 H N -1.032 117.834 119.070 -0.339 0.000 2.568 684 H HA -0.083 4.353 4.556 -0.199 0.000 0.281 684 H C 0.704 175.682 175.328 -0.585 0.000 1.028 684 H CA 1.022 56.784 56.048 -0.478 0.000 1.199 684 H CB -0.600 28.958 29.762 -0.340 0.000 1.352 684 H HN 0.424 nan 8.280 nan 0.000 0.605 685 F N 0.254 120.011 119.950 -0.323 0.000 2.639 685 F HA 0.178 4.591 4.527 -0.190 0.000 0.300 685 F C 0.509 175.998 175.800 -0.519 0.000 1.109 685 F CA -0.120 57.614 58.000 -0.443 0.000 1.335 685 F CB 0.487 39.090 39.000 -0.662 0.000 1.014 685 F HN -0.089 nan 8.300 nan 0.000 0.537 686 L N 0.345 121.385 121.223 -0.306 0.000 2.257 686 L HA 0.229 4.454 4.340 -0.192 0.000 0.290 686 L C 0.799 177.563 176.870 -0.177 0.000 1.044 686 L CA -0.696 54.009 54.840 -0.225 0.000 0.810 686 L CB 1.207 43.063 42.059 -0.337 0.000 1.193 686 L HN -0.092 nan 8.230 nan 0.000 0.425 687 S N 5.871 121.559 115.700 -0.020 0.000 2.811 687 S HA 0.039 4.394 4.470 -0.192 0.000 0.325 687 S C -1.315 173.252 174.600 -0.055 0.000 1.224 687 S CA -0.840 57.389 58.200 0.049 0.000 1.125 687 S CB 0.296 63.600 63.200 0.174 0.000 0.867 687 S HN 0.469 nan 8.310 nan 0.000 0.512 688 P HA 0.131 nan 4.420 nan 0.000 0.255 688 P C -0.544 176.424 177.300 -0.554 0.000 1.427 688 P CA 0.175 63.056 63.100 -0.366 0.000 0.863 688 P CB -0.331 31.106 31.700 -0.438 0.000 1.444 689 Y N -0.397 119.869 120.300 -0.056 0.000 2.588 689 Y HA 0.181 4.617 4.550 -0.190 0.000 0.247 689 Y C 1.023 176.880 175.900 -0.070 0.000 1.157 689 Y CA -0.560 57.510 58.100 -0.049 0.000 1.215 689 Y CB 0.815 39.259 38.460 -0.027 0.000 1.245 689 Y HN -0.191 nan 8.280 nan 0.000 0.534 690 V N -2.553 117.350 119.914 -0.019 0.000 2.656 690 V HA 0.614 4.619 4.120 -0.192 0.000 0.307 690 V C -0.062 175.972 176.094 -0.100 0.000 1.051 690 V CA -1.203 61.041 62.300 -0.094 0.000 0.893 690 V CB 1.792 33.449 31.823 -0.276 0.000 0.999 690 V HN -0.009 nan 8.190 nan 0.000 0.426 691 S N 4.036 119.696 115.700 -0.067 0.000 2.523 691 S HA 0.452 4.807 4.470 -0.192 0.000 0.275 691 S C -1.360 173.225 174.600 -0.025 0.000 1.281 691 S CA -0.931 57.247 58.200 -0.037 0.000 1.050 691 S CB 1.290 64.484 63.200 -0.009 0.000 0.937 691 S HN 0.761 nan 8.310 nan 0.000 0.492 692 P HA -0.123 nan 4.420 nan 0.000 0.216 692 P C 1.332 178.678 177.300 0.076 0.000 1.150 692 P CA 0.952 64.095 63.100 0.072 0.000 0.843 692 P CB 0.141 31.920 31.700 0.131 0.000 0.787 693 K N -0.282 120.178 120.400 0.101 0.000 2.147 693 K HA -0.177 4.028 4.320 -0.192 0.000 0.205 693 K C 1.544 178.194 176.600 0.083 0.000 1.049 693 K CA 1.316 57.692 56.287 0.149 0.000 0.936 693 K CB 0.018 32.626 32.500 0.180 0.000 0.722 693 K HN 0.082 nan 8.250 nan 0.000 0.446 694 E N -0.162 120.060 120.200 0.036 0.000 2.079 694 E HA 0.043 4.278 4.350 -0.192 0.000 0.191 694 E C 0.223 176.815 176.600 -0.014 0.000 0.961 694 E CA 0.523 56.933 56.400 0.017 0.000 0.823 694 E CB 0.397 30.101 29.700 0.007 0.000 0.789 694 E HN -0.045 nan 8.360 nan 0.000 0.459 695 S N 2.735 118.404 115.700 -0.051 0.000 2.395 695 S HA 0.196 4.551 4.470 -0.192 0.000 0.207 695 S C -1.954 172.589 174.600 -0.095 0.000 1.454 695 S CA -1.038 57.121 58.200 -0.068 0.000 1.211 695 S CB 1.873 64.998 63.200 -0.125 0.000 1.093 695 S HN 0.010 nan 8.310 nan 0.000 0.472 696 P HA -0.115 nan 4.420 nan 0.000 0.216 696 P C 0.103 177.355 177.300 -0.080 0.000 1.150 696 P CA 1.038 64.021 63.100 -0.195 0.000 0.837 696 P CB -0.101 31.224 31.700 -0.626 0.000 0.786 697 F N 0.503 120.587 119.950 0.222 0.000 2.541 697 F HA 0.307 4.718 4.527 -0.193 0.000 0.351 697 F C 1.865 177.893 175.800 0.380 0.000 1.209 697 F CA -0.729 57.414 58.000 0.238 0.000 1.277 697 F CB 0.035 39.180 39.000 0.243 0.000 1.632 697 F HN -0.276 nan 8.300 nan 0.000 0.619 698 R N -0.790 119.941 120.500 0.385 0.000 2.235 698 R HA -0.098 4.127 4.340 -0.192 0.000 0.213 698 R C 0.357 176.874 176.300 0.362 0.000 1.059 698 R CA 0.185 56.488 56.100 0.338 0.000 0.997 698 R CB -0.329 29.995 30.300 0.041 0.000 0.884 698 R HN 0.434 nan 8.270 nan 0.000 0.462 699 H N 1.365 120.557 119.070 0.204 0.000 3.248 699 H HA -0.050 4.390 4.556 -0.194 0.000 0.258 699 H C 1.555 176.898 175.328 0.026 0.000 0.923 699 H CA -0.124 55.993 56.048 0.116 0.000 1.416 699 H CB 0.630 30.482 29.762 0.150 0.000 1.523 699 H HN -0.028 nan 8.280 nan 0.000 0.528 700 V N 2.629 122.426 119.914 -0.194 0.000 2.527 700 V HA -0.303 3.702 4.120 -0.192 0.000 0.255 700 V C 1.621 177.441 176.094 -0.456 0.000 1.081 700 V CA 1.739 63.857 62.300 -0.304 0.000 1.092 700 V CB -0.939 30.687 31.823 -0.329 0.000 0.673 700 V HN 0.534 nan 8.190 nan 0.000 0.470 701 F N -0.519 119.097 119.950 -0.558 0.000 2.274 701 F HA 0.256 4.668 4.527 -0.191 0.000 0.288 701 F C 1.896 177.322 175.800 -0.622 0.000 1.069 701 F CA 1.100 58.580 58.000 -0.867 0.000 1.343 701 F CB -0.269 37.770 39.000 -1.601 0.000 1.089 701 F HN 0.201 nan 8.300 nan 0.000 0.517 702 W N -0.506 121.100 121.300 0.510 0.000 3.008 702 W HA 0.424 4.967 4.660 -0.195 0.000 0.355 702 W C 1.514 178.174 176.519 0.234 0.000 1.095 702 W CA -0.117 57.379 57.345 0.250 0.000 1.738 702 W CB -0.672 28.851 29.460 0.104 0.000 1.091 702 W HN -0.101 nan 8.180 nan 0.000 0.574 703 G N 1.133 110.149 108.800 0.360 0.000 2.441 703 G HA2 0.368 4.213 3.960 -0.192 0.000 0.258 703 G HA3 0.368 4.213 3.960 -0.192 0.000 0.258 703 G C -0.322 174.743 174.900 0.275 0.000 1.487 703 G CA -0.010 45.298 45.100 0.346 0.000 1.058 703 G HN -0.035 nan 8.290 nan 0.000 0.552 704 S N -1.502 114.382 115.700 0.306 0.000 2.603 704 S HA 0.709 5.064 4.470 -0.192 0.000 0.274 704 S C -0.034 174.732 174.600 0.276 0.000 1.168 704 S CA 0.117 58.456 58.200 0.232 0.000 0.963 704 S CB 1.550 64.942 63.200 0.319 0.000 1.078 704 S HN 1.891 nan 8.310 nan 0.000 0.477 705 G N 1.303 110.170 108.800 0.112 0.000 2.369 705 G HA2 0.233 4.078 3.960 -0.192 0.000 0.293 705 G HA3 0.233 4.078 3.960 -0.192 0.000 0.293 705 G C 0.379 175.335 174.900 0.093 0.000 1.301 705 G CA -0.002 45.236 45.100 0.231 0.000 0.913 705 G HN 1.026 nan 8.290 nan 0.000 0.540 706 S N -0.554 115.265 115.700 0.198 0.000 2.522 706 S HA -0.043 4.312 4.470 -0.192 0.000 0.227 706 S C 1.765 176.406 174.600 0.068 0.000 0.986 706 S CA 1.686 59.941 58.200 0.091 0.000 0.929 706 S CB -0.488 62.762 63.200 0.083 0.000 0.769 706 S HN 1.149 nan 8.310 nan 0.000 0.529 707 H N 0.510 119.574 119.070 -0.009 0.000 2.502 707 H HA 0.152 4.592 4.556 -0.193 0.000 0.283 707 H C 0.228 175.507 175.328 -0.082 0.000 1.015 707 H CA 0.697 56.724 56.048 -0.035 0.000 1.298 707 H CB -1.561 28.201 29.762 -0.001 0.000 1.411 707 H HN 0.185 nan 8.280 nan 0.000 0.556 708 T N 2.661 116.856 114.554 -0.600 0.000 2.933 708 T HA -0.027 4.208 4.350 -0.192 0.000 0.306 708 T C 1.490 175.976 174.700 -0.355 0.000 1.045 708 T CA -0.163 61.654 62.100 -0.471 0.000 1.143 708 T CB 0.637 69.306 68.868 -0.333 0.000 1.003 708 T HN 0.083 nan 8.240 nan 0.000 0.540 709 L N 6.659 127.591 121.223 -0.485 0.000 1.994 709 L HA 0.066 4.290 4.340 -0.192 0.000 0.208 709 L C -0.629 176.030 176.870 -0.352 0.000 1.071 709 L CA 1.756 56.221 54.840 -0.625 0.000 0.745 709 L CB -1.451 39.925 42.059 -1.138 0.000 0.892 709 L HN 0.515 nan 8.230 nan 0.000 0.431 710 P HA -0.180 nan 4.420 nan 0.000 0.216 710 P C 1.490 178.758 177.300 -0.054 0.000 1.150 710 P CA 1.909 64.947 63.100 -0.102 0.000 0.843 710 P CB -0.119 31.539 31.700 -0.070 0.000 0.787 711 A N -0.853 121.916 122.820 -0.085 0.000 2.024 711 A HA -0.184 4.021 4.320 -0.192 0.000 0.220 711 A C 2.153 179.740 177.584 0.006 0.000 1.164 711 A CA 1.252 53.265 52.037 -0.039 0.000 0.643 711 A CB -1.616 17.347 19.000 -0.062 0.000 0.806 711 A HN 0.202 nan 8.150 nan 0.000 0.451 712 L N -0.465 120.759 121.223 0.002 0.000 1.976 712 L HA -0.154 4.071 4.340 -0.192 0.000 0.209 712 L C 2.441 179.399 176.870 0.148 0.000 1.071 712 L CA 1.676 56.574 54.840 0.095 0.000 0.746 712 L CB -0.336 41.770 42.059 0.078 0.000 0.890 712 L HN 0.422 nan 8.230 nan 0.000 0.432 713 L N -0.154 121.121 121.223 0.086 0.000 2.012 713 L HA -0.259 3.966 4.340 -0.192 0.000 0.210 713 L C 2.589 179.410 176.870 -0.082 0.000 1.073 713 L CA 1.480 56.282 54.840 -0.064 0.000 0.748 713 L CB -0.781 41.259 42.059 -0.032 0.000 0.891 713 L HN 0.332 nan 8.230 nan 0.000 0.431 714 E N 0.456 120.652 120.200 -0.006 0.000 2.273 714 E HA -0.254 3.981 4.350 -0.192 0.000 0.198 714 E C 1.763 178.384 176.600 0.036 0.000 1.002 714 E CA 1.385 57.791 56.400 0.010 0.000 0.828 714 E CB -0.140 29.570 29.700 0.018 0.000 0.747 714 E HN 0.404 nan 8.360 nan 0.000 0.491 715 N N -1.059 117.689 118.700 0.080 0.000 2.368 715 N HA -0.050 4.575 4.740 -0.192 0.000 0.178 715 N C 1.494 177.124 175.510 0.200 0.000 1.021 715 N CA 0.558 53.709 53.050 0.168 0.000 0.875 715 N CB -0.258 38.360 38.487 0.219 0.000 1.020 715 N HN 0.185 nan 8.380 nan 0.000 0.433 716 L N 1.439 122.686 121.223 0.040 0.000 2.131 716 L HA -0.022 4.203 4.340 -0.192 0.000 0.210 716 L C 1.808 178.448 176.870 -0.382 0.000 1.092 716 L CA 1.592 56.233 54.840 -0.331 0.000 0.759 716 L CB -0.408 41.333 42.059 -0.530 0.000 0.903 716 L HN 0.117 nan 8.230 nan 0.000 0.435 717 K N -0.723 119.529 120.400 -0.246 0.000 2.103 717 K HA -0.171 4.034 4.320 -0.192 0.000 0.207 717 K C 1.928 178.508 176.600 -0.034 0.000 1.048 717 K CA 1.523 57.779 56.287 -0.052 0.000 0.930 717 K CB -0.367 32.148 32.500 0.026 0.000 0.716 717 K HN 0.382 nan 8.250 nan 0.000 0.444 718 L N 0.500 121.706 121.223 -0.029 0.000 2.362 718 L HA -0.119 4.106 4.340 -0.192 0.000 0.219 718 L C 2.436 179.258 176.870 -0.079 0.000 1.134 718 L CA 0.457 55.304 54.840 0.012 0.000 0.807 718 L CB -0.429 41.703 42.059 0.123 0.000 0.927 718 L HN 0.099 nan 8.230 nan 0.000 0.447 719 R N 1.520 121.804 120.500 -0.360 0.000 2.094 719 R HA -0.194 4.031 4.340 -0.192 0.000 0.239 719 R C 2.119 178.266 176.300 -0.256 0.000 1.137 719 R CA 1.763 57.496 56.100 -0.611 0.000 0.943 719 R CB -0.314 29.401 30.300 -0.975 0.000 0.850 719 R HN 0.255 nan 8.270 nan 0.000 0.433 720 K N 0.053 120.357 120.400 -0.160 0.000 2.152 720 K HA -0.168 4.037 4.320 -0.192 0.000 0.206 720 K C 2.039 178.613 176.600 -0.044 0.000 1.048 720 K CA 1.608 57.847 56.287 -0.079 0.000 0.933 720 K CB -0.132 32.345 32.500 -0.038 0.000 0.721 720 K HN 0.386 nan 8.250 nan 0.000 0.447 721 Q N 0.927 120.710 119.800 -0.027 0.000 2.576 721 Q HA -0.165 4.060 4.340 -0.192 0.000 0.218 721 Q C 0.229 176.232 176.000 0.005 0.000 0.983 721 Q CA 0.911 56.714 55.803 -0.000 0.000 0.920 721 Q CB -0.530 28.219 28.738 0.018 0.000 0.973 721 Q HN 0.494 nan 8.270 nan 0.000 0.528 722 N N -0.550 118.146 118.700 -0.007 0.000 2.707 722 N HA -0.352 4.273 4.740 -0.192 0.000 0.245 722 N C -0.352 175.175 175.510 0.028 0.000 1.103 722 N CA 1.890 54.943 53.050 0.004 0.000 0.882 722 N CB -2.076 36.412 38.487 0.002 0.000 1.160 722 N HN 0.662 nan 8.380 nan 0.000 0.587 723 N N -2.124 116.598 118.700 0.038 0.000 2.431 723 N HA 0.422 5.046 4.740 -0.192 0.000 0.289 723 N C 1.354 176.908 175.510 0.073 0.000 1.277 723 N CA -0.547 52.531 53.050 0.048 0.000 0.972 723 N CB 0.330 38.843 38.487 0.043 0.000 1.143 723 N HN 0.134 nan 8.380 nan 0.000 0.578 724 G N -1.735 107.103 108.800 0.064 0.000 2.813 724 G HA2 0.058 3.903 3.960 -0.192 0.000 0.209 724 G HA3 0.058 3.903 3.960 -0.192 0.000 0.209 724 G C 1.363 176.311 174.900 0.080 0.000 1.150 724 G CA 0.317 45.459 45.100 0.071 0.000 0.785 724 G HN 0.712 nan 8.290 nan 0.000 0.535 725 A N 0.537 123.409 122.820 0.086 0.000 2.042 725 A HA -0.046 4.159 4.320 -0.192 0.000 0.222 725 A C 0.996 178.658 177.584 0.131 0.000 1.167 725 A CA 0.461 52.551 52.037 0.089 0.000 0.649 725 A CB -0.452 18.598 19.000 0.083 0.000 0.809 725 A HN 0.430 nan 8.150 nan 0.000 0.457 726 F N 1.281 121.227 119.950 -0.006 0.000 2.421 726 F HA 0.416 4.828 4.527 -0.192 0.000 0.358 726 F C 0.051 175.852 175.800 0.003 0.000 1.115 726 F CA -1.758 56.233 58.000 -0.015 0.000 1.160 726 F CB 0.327 39.299 39.000 -0.046 0.000 1.123 726 F HN 0.112 nan 8.300 nan 0.000 0.508 727 N N 5.670 124.050 118.700 -0.533 0.000 2.437 727 N HA 0.021 4.646 4.740 -0.192 0.000 0.243 727 N C 0.844 175.820 175.510 -0.891 0.000 1.041 727 N CA 0.159 52.917 53.050 -0.487 0.000 0.940 727 N CB 0.691 39.039 38.487 -0.233 0.000 1.133 727 N HN 0.957 nan 8.380 nan 0.000 0.506 728 E N 2.187 121.911 120.200 -0.792 0.000 2.047 728 E HA -0.136 4.099 4.350 -0.192 0.000 0.191 728 E C 0.703 177.199 176.600 -0.174 0.000 0.987 728 E CA 1.416 57.478 56.400 -0.563 0.000 0.799 728 E CB 0.249 29.887 29.700 -0.104 0.000 0.752 728 E HN 0.617 nan 8.360 nan 0.000 0.449 729 T N 1.833 116.312 114.554 -0.125 0.000 2.759 729 T HA -0.189 4.046 4.350 -0.192 0.000 0.269 729 T C 1.752 176.419 174.700 -0.055 0.000 1.042 729 T CA 1.192 63.260 62.100 -0.055 0.000 1.140 729 T CB -0.289 68.550 68.868 -0.048 0.000 0.864 729 T HN 0.138 nan 8.240 nan 0.000 0.455 730 L N 0.784 121.952 121.223 -0.092 0.000 1.994 730 L HA 0.050 4.274 4.340 -0.192 0.000 0.208 730 L C 2.009 178.868 176.870 -0.019 0.000 1.071 730 L CA 1.618 56.422 54.840 -0.061 0.000 0.745 730 L CB -1.167 40.848 42.059 -0.073 0.000 0.892 730 L HN 0.220 nan 8.230 nan 0.000 0.431 731 F N 0.685 120.540 119.950 -0.158 0.000 2.011 731 F HA -0.277 4.136 4.527 -0.191 0.000 0.296 731 F C 2.666 178.464 175.800 -0.005 0.000 1.144 731 F CA 2.037 60.016 58.000 -0.036 0.000 1.185 731 F CB -0.561 38.486 39.000 0.077 0.000 0.961 731 F HN 0.063 nan 8.300 nan 0.000 0.485 732 R N 0.530 121.066 120.500 0.059 0.000 2.189 732 R HA -0.287 3.938 4.340 -0.192 0.000 0.252 732 R C 1.913 178.113 176.300 -0.167 0.000 1.134 732 R CA 2.098 58.170 56.100 -0.045 0.000 0.954 732 R CB -1.415 28.910 30.300 0.040 0.000 0.890 732 R HN 0.463 nan 8.270 nan 0.000 0.443 733 N N 0.671 119.293 118.700 -0.130 0.000 2.092 733 N HA -0.124 4.501 4.740 -0.192 0.000 0.189 733 N C 1.918 177.317 175.510 -0.186 0.000 1.040 733 N CA 1.040 54.009 53.050 -0.135 0.000 0.845 733 N CB -0.435 37.996 38.487 -0.092 0.000 1.017 733 N HN 0.350 nan 8.380 nan 0.000 0.426 734 Q N 1.012 120.698 119.800 -0.190 0.000 2.065 734 Q HA -0.213 4.012 4.340 -0.192 0.000 0.213 734 Q C 2.233 178.070 176.000 -0.272 0.000 1.012 734 Q CA 1.628 57.312 55.803 -0.198 0.000 0.876 734 Q CB -0.422 28.215 28.738 -0.169 0.000 0.954 734 Q HN 0.360 nan 8.270 nan 0.000 0.413 735 L N -0.029 120.920 121.223 -0.456 0.000 1.976 735 L HA -0.229 3.995 4.340 -0.192 0.000 0.209 735 L C 2.359 179.079 176.870 -0.249 0.000 1.071 735 L CA 1.566 56.171 54.840 -0.392 0.000 0.746 735 L CB -0.587 41.110 42.059 -0.603 0.000 0.890 735 L HN 0.292 nan 8.230 nan 0.000 0.432 736 A N 0.206 122.887 122.820 -0.232 0.000 1.881 736 A HA -0.296 3.909 4.320 -0.192 0.000 0.219 736 A C 2.164 179.670 177.584 -0.131 0.000 1.215 736 A CA 2.550 54.488 52.037 -0.166 0.000 0.648 736 A CB -1.186 17.746 19.000 -0.114 0.000 0.832 736 A HN 0.560 nan 8.150 nan 0.000 0.455 737 L N -1.291 119.833 121.223 -0.166 0.000 2.023 737 L HA -0.125 4.100 4.340 -0.192 0.000 0.205 737 L C 3.095 179.876 176.870 -0.148 0.000 1.073 737 L CA 0.993 55.691 54.840 -0.236 0.000 0.745 737 L CB -0.709 41.142 42.059 -0.347 0.000 0.900 737 L HN 0.441 nan 8.230 nan 0.000 0.435 738 A N -0.378 122.351 122.820 -0.151 0.000 2.093 738 A HA -0.245 3.960 4.320 -0.192 0.000 0.222 738 A C 2.292 179.792 177.584 -0.140 0.000 1.162 738 A CA 2.462 54.405 52.037 -0.157 0.000 0.655 738 A CB -0.908 17.963 19.000 -0.214 0.000 0.805 738 A HN 0.469 nan 8.150 nan 0.000 0.461 739 T N -1.762 112.688 114.554 -0.173 0.000 2.706 739 T HA -0.145 4.090 4.350 -0.192 0.000 0.255 739 T C 1.465 176.023 174.700 -0.236 0.000 1.048 739 T CA 1.296 63.249 62.100 -0.245 0.000 1.153 739 T CB -0.391 68.225 68.868 -0.420 0.000 0.865 739 T HN 0.749 nan 8.240 nan 0.000 0.414 740 W N 1.726 122.999 121.300 -0.045 0.000 2.387 740 W HA -0.105 4.439 4.660 -0.194 0.000 0.272 740 W C 2.597 179.162 176.519 0.078 0.000 1.224 740 W CA 0.635 57.986 57.345 0.010 0.000 1.210 740 W CB -0.870 28.566 29.460 -0.040 0.000 1.125 740 W HN 0.243 nan 8.180 nan 0.000 0.572 741 T N 0.911 115.598 114.554 0.222 0.000 2.701 741 T HA -0.202 4.033 4.350 -0.192 0.000 0.263 741 T C 1.697 176.416 174.700 0.032 0.000 1.040 741 T CA 1.587 63.788 62.100 0.168 0.000 1.147 741 T CB -0.480 68.437 68.868 0.082 0.000 0.865 741 T HN 0.068 nan 8.240 nan 0.000 0.426 742 I N 0.910 121.480 120.570 -0.001 0.000 2.179 742 I HA -0.198 3.857 4.170 -0.192 0.000 0.242 742 I C 2.991 179.109 176.117 0.003 0.000 1.088 742 I CA 1.096 62.378 61.300 -0.031 0.000 1.357 742 I CB -0.456 37.545 38.000 0.002 0.000 1.051 742 I HN 0.158 nan 8.210 nan 0.000 0.409 743 Q N 1.201 121.034 119.800 0.055 0.000 2.014 743 Q HA -0.203 4.022 4.340 -0.192 0.000 0.207 743 Q C 2.278 178.368 176.000 0.150 0.000 0.993 743 Q CA 2.381 58.259 55.803 0.125 0.000 0.850 743 Q CB -1.019 27.834 28.738 0.192 0.000 0.916 743 Q HN 0.564 nan 8.270 nan 0.000 0.417 744 G N 0.280 109.178 108.800 0.164 0.000 2.469 744 G HA2 -0.244 3.601 3.960 -0.192 0.000 0.219 744 G HA3 -0.244 3.601 3.960 -0.192 0.000 0.219 744 G C 1.552 176.413 174.900 -0.066 0.000 1.150 744 G CA 1.785 46.932 45.100 0.079 0.000 0.763 744 G HN 0.541 nan 8.290 nan 0.000 0.561 745 A N 1.029 123.765 122.820 -0.140 0.000 1.997 745 A HA 0.114 4.319 4.320 -0.192 0.000 0.221 745 A C 2.777 180.346 177.584 -0.024 0.000 1.172 745 A CA 2.553 54.419 52.037 -0.283 0.000 0.645 745 A CB -0.710 17.843 19.000 -0.744 0.000 0.813 745 A HN 0.847 nan 8.150 nan 0.000 0.454 746 A N 0.270 123.182 122.820 0.154 0.000 1.840 746 A HA -0.143 4.062 4.320 -0.192 0.000 0.214 746 A C 1.809 179.376 177.584 -0.028 0.000 1.198 746 A CA 1.481 53.613 52.037 0.157 0.000 0.608 746 A CB -0.640 18.498 19.000 0.229 0.000 0.839 746 A HN 0.529 nan 8.150 nan 0.000 0.443 747 N N 0.669 119.369 118.700 0.000 0.000 2.430 747 N HA -0.108 4.517 4.740 -0.192 0.000 0.186 747 N C 1.535 176.968 175.510 -0.128 0.000 1.032 747 N CA 1.387 54.424 53.050 -0.022 0.000 0.893 747 N CB -0.412 38.106 38.487 0.052 0.000 0.957 747 N HN 0.533 nan 8.380 nan 0.000 0.442 748 A N 0.100 122.777 122.820 -0.239 0.000 1.984 748 A HA 0.095 4.300 4.320 -0.192 0.000 0.214 748 A C 1.754 179.138 177.584 -0.334 0.000 1.173 748 A CA 0.143 51.940 52.037 -0.401 0.000 0.673 748 A CB -0.183 18.244 19.000 -0.956 0.000 0.830 748 A HN 0.179 nan 8.150 nan 0.000 0.453 749 L N -0.516 120.534 121.223 -0.287 0.000 2.693 749 L HA 0.247 4.472 4.340 -0.192 0.000 0.242 749 L C 0.706 177.419 176.870 -0.262 0.000 1.157 749 L CA 0.965 55.644 54.840 -0.268 0.000 0.929 749 L CB -0.968 40.900 42.059 -0.319 0.000 1.103 749 L HN 0.566 nan 8.230 nan 0.000 0.430 750 S N -1.525 114.043 115.700 -0.219 0.000 4.146 750 S HA 0.015 4.370 4.470 -0.192 0.000 0.628 750 S C 0.822 175.338 174.600 -0.140 0.000 1.860 750 S CA 0.333 58.418 58.200 -0.191 0.000 4.099 750 S CB -1.723 61.354 63.200 -0.204 0.000 0.215 750 S HN 1.671 nan 8.310 nan 0.000 0.512 751 G N 1.558 110.289 108.800 -0.116 0.000 2.132 751 G HA2 -0.060 3.785 3.960 -0.192 0.000 0.234 751 G HA3 -0.060 3.785 3.960 -0.192 0.000 0.234 751 G C 0.168 175.042 174.900 -0.044 0.000 0.989 751 G CA 1.026 46.092 45.100 -0.056 0.000 0.676 751 G HN 1.680 nan 8.290 nan 0.000 0.522 752 D N -2.002 118.347 120.400 -0.085 0.000 3.041 752 D HA -0.183 4.342 4.640 -0.192 0.000 0.220 752 D C 0.901 177.130 176.300 -0.119 0.000 1.157 752 D CA 1.467 55.416 54.000 -0.085 0.000 0.876 752 D CB -1.694 39.084 40.800 -0.035 0.000 1.107 752 D HN 1.715 nan 8.370 nan 0.000 0.422 753 V N -2.136 117.681 119.914 -0.162 0.000 3.570 753 V HA -0.309 3.696 4.120 -0.192 0.000 0.510 753 V C 0.853 176.913 176.094 -0.055 0.000 0.682 753 V CA 0.715 62.835 62.300 -0.300 0.000 2.063 753 V CB -0.639 30.826 31.823 -0.597 0.000 2.487 753 V HN 0.577 nan 8.190 nan 0.000 0.510 754 W N 0.109 121.405 121.300 -0.006 0.000 5.770 754 W HA -0.185 4.372 4.660 -0.172 0.000 0.389 754 W C 0.516 177.044 176.519 0.016 0.000 1.469 754 W CA 0.278 57.628 57.345 0.008 0.000 0.975 754 W CB -1.120 28.345 29.460 0.008 0.000 2.622 754 W HN 0.917 nan 8.180 nan 0.000 1.500 755 D N 1.027 121.569 120.400 0.237 0.000 2.982 755 D HA 0.002 4.527 4.640 -0.192 0.000 0.222 755 D C 0.579 176.971 176.300 0.153 0.000 1.124 755 D CA 0.892 54.983 54.000 0.151 0.000 0.810 755 D CB 0.339 41.211 40.800 0.120 0.000 1.152 755 D HN 0.040 nan 8.370 nan 0.000 0.538 756 I N 2.225 122.869 120.570 0.123 0.000 3.585 756 I HA 0.088 4.143 4.170 -0.192 0.000 0.325 756 I C 0.105 176.275 176.117 0.088 0.000 1.370 756 I CA -0.230 61.131 61.300 0.102 0.000 1.298 756 I CB -0.519 37.534 38.000 0.088 0.000 1.387 756 I HN 0.191 nan 8.210 nan 0.000 0.466 757 D N -0.747 119.712 120.400 0.099 0.000 3.110 757 D HA 0.026 4.551 4.640 -0.192 0.000 0.254 757 D C 1.046 177.424 176.300 0.130 0.000 1.283 757 D CA -0.391 53.667 54.000 0.096 0.000 0.944 757 D CB -0.664 40.180 40.800 0.074 0.000 1.066 757 D HN 0.498 nan 8.370 nan 0.000 0.496 758 N N -0.166 118.602 118.700 0.112 0.000 2.453 758 N HA -0.257 4.368 4.740 -0.192 0.000 0.183 758 N C 1.346 176.930 175.510 0.122 0.000 1.041 758 N CA 0.311 53.428 53.050 0.112 0.000 0.900 758 N CB 0.151 38.681 38.487 0.072 0.000 0.961 758 N HN 0.178 nan 8.380 nan 0.000 0.443 759 E N 1.195 121.468 120.200 0.122 0.000 2.223 759 E HA -0.089 4.146 4.350 -0.192 0.000 0.267 759 E C 0.311 177.014 176.600 0.172 0.000 0.857 759 E CA 0.060 56.528 56.400 0.115 0.000 1.467 759 E CB -0.671 29.088 29.700 0.099 0.000 0.965 759 E HN 0.205 nan 8.360 nan 0.000 0.591 760 F N 0.000 119.954 119.950 0.006 0.000 2.286 760 F HA 0.000 4.412 4.527 -0.191 0.000 0.279 760 F CA 0.000 57.988 58.000 -0.019 0.000 1.383 760 F CB 0.000 38.991 39.000 -0.016 0.000 1.145 760 F HN 0.000 nan 8.300 nan 0.000 0.574