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_A 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 0.000 176.709 176.870 -0.269 0.000 1.165 122 L CA 0.000 54.747 54.840 -0.155 0.000 0.813 122 L CB 0.000 42.019 42.059 -0.066 0.000 0.961 123 Y N -0.452 119.830 120.300 -0.030 0.000 2.488 123 Y HA 0.189 4.627 4.550 -0.186 0.000 0.325 123 Y C 1.047 176.863 175.900 -0.140 0.000 1.204 123 Y CA 0.043 58.123 58.100 -0.033 0.000 1.229 123 Y CB 1.155 39.636 38.460 0.035 0.000 1.274 123 Y HN 0.738 nan 8.280 nan 0.000 0.493 124 W N 2.001 123.189 121.300 -0.187 0.000 2.290 124 W HA -0.345 4.203 4.660 -0.186 0.000 0.323 124 W C 1.126 177.579 176.519 -0.109 0.000 1.260 124 W CA 2.569 59.767 57.345 -0.246 0.000 1.266 124 W CB -0.273 29.136 29.460 -0.085 0.000 1.149 124 W HN 0.916 nan 8.180 nan 0.000 0.482 125 D N 0.561 120.832 120.400 -0.215 0.000 2.133 125 D HA -0.302 4.226 4.640 -0.187 0.000 0.192 125 D C 1.587 177.673 176.300 -0.358 0.000 1.001 125 D CA 2.271 56.068 54.000 -0.338 0.000 0.844 125 D CB -1.240 39.500 40.800 -0.100 0.000 0.944 125 D HN 0.144 nan 8.370 nan 0.000 0.447 126 D N 0.250 120.526 120.400 -0.208 0.000 2.103 126 D HA -0.131 4.397 4.640 -0.187 0.000 0.190 126 D C 2.269 178.383 176.300 -0.309 0.000 0.997 126 D CA 0.795 54.681 54.000 -0.190 0.000 0.833 126 D CB -0.252 40.494 40.800 -0.090 0.000 0.961 126 D HN 0.153 nan 8.370 nan 0.000 0.447 127 L N 1.099 122.088 121.223 -0.389 0.000 2.079 127 L HA -0.148 4.080 4.340 -0.187 0.000 0.210 127 L C 2.371 178.875 176.870 -0.610 0.000 1.081 127 L CA 1.319 55.862 54.840 -0.495 0.000 0.752 127 L CB -1.055 40.708 42.059 -0.493 0.000 0.896 127 L HN 0.101 nan 8.230 nan 0.000 0.433 128 K N 0.070 119.924 120.400 -0.911 0.000 2.002 128 K HA -0.193 4.015 4.320 -0.187 0.000 0.209 128 K C 2.303 178.605 176.600 -0.497 0.000 1.048 128 K CA 1.266 56.991 56.287 -0.936 0.000 0.930 128 K CB 0.052 31.775 32.500 -1.295 0.000 0.714 128 K HN 0.113 nan 8.250 nan 0.000 0.438 129 R N 0.601 120.856 120.500 -0.408 0.000 2.083 129 R HA -0.174 4.054 4.340 -0.187 0.000 0.237 129 R C 2.358 178.520 176.300 -0.230 0.000 1.137 129 R CA 1.825 57.769 56.100 -0.260 0.000 0.951 129 R CB -0.164 30.014 30.300 -0.204 0.000 0.851 129 R HN -0.013 nan 8.270 nan 0.000 0.434 130 K N 0.928 121.179 120.400 -0.249 0.000 1.978 130 K HA -0.178 4.030 4.320 -0.187 0.000 0.214 130 K C 1.876 178.337 176.600 -0.232 0.000 1.049 130 K CA 1.499 57.656 56.287 -0.217 0.000 0.939 130 K CB -0.838 31.527 32.500 -0.225 0.000 0.721 130 K HN 0.081 nan 8.250 nan 0.000 0.441 131 L N 0.710 121.755 121.223 -0.295 0.000 2.211 131 L HA -0.231 3.997 4.340 -0.187 0.000 0.216 131 L C 2.199 178.948 176.870 -0.203 0.000 1.092 131 L CA 2.260 56.929 54.840 -0.285 0.000 0.767 131 L CB -1.048 40.827 42.059 -0.306 0.000 0.894 131 L HN 0.371 nan 8.230 nan 0.000 0.437 132 S N -0.558 115.025 115.700 -0.194 0.000 2.335 132 S HA -0.205 4.153 4.470 -0.187 0.000 0.217 132 S C 1.905 176.423 174.600 -0.136 0.000 1.032 132 S CA 1.039 59.148 58.200 -0.151 0.000 0.985 132 S CB -0.387 62.723 63.200 -0.151 0.000 0.896 132 S HN 0.794 nan 8.310 nan 0.000 0.445 133 E N 0.723 120.842 120.200 -0.136 0.000 2.118 133 E HA -0.200 4.038 4.350 -0.187 0.000 0.195 133 E C 1.842 178.371 176.600 -0.118 0.000 0.992 133 E CA 1.090 57.420 56.400 -0.118 0.000 0.804 133 E CB -0.262 29.374 29.700 -0.107 0.000 0.741 133 E HN 0.332 nan 8.360 nan 0.000 0.458 134 K N 0.489 120.812 120.400 -0.128 0.000 2.097 134 K HA -0.067 4.141 4.320 -0.187 0.000 0.206 134 K C 2.126 178.656 176.600 -0.117 0.000 1.049 134 K CA 0.644 56.859 56.287 -0.120 0.000 0.933 134 K CB -0.261 32.151 32.500 -0.146 0.000 0.717 134 K HN 0.239 nan 8.250 nan 0.000 0.442 135 L N 1.761 122.913 121.223 -0.117 0.000 2.217 135 L HA -0.106 4.122 4.340 -0.187 0.000 0.211 135 L C 1.374 178.132 176.870 -0.188 0.000 1.107 135 L CA 1.555 56.326 54.840 -0.116 0.000 0.783 135 L CB -0.942 41.081 42.059 -0.060 0.000 0.919 135 L HN 0.108 nan 8.230 nan 0.000 0.442 136 D N -0.719 119.589 120.400 -0.153 0.000 2.269 136 D HA -0.051 4.477 4.640 -0.187 0.000 0.208 136 D C 0.835 177.041 176.300 -0.157 0.000 0.963 136 D CA 0.629 54.539 54.000 -0.150 0.000 0.864 136 D CB 0.347 41.076 40.800 -0.118 0.000 0.936 136 D HN 0.091 nan 8.370 nan 0.000 0.505 137 S N -0.160 115.449 115.700 -0.153 0.000 2.256 137 S HA 0.239 4.597 4.470 -0.187 0.000 0.210 137 S C -0.274 174.238 174.600 -0.146 0.000 1.329 137 S CA -0.612 57.509 58.200 -0.132 0.000 1.267 137 S CB 0.707 63.853 63.200 -0.090 0.000 1.086 137 S HN 0.157 nan 8.310 nan 0.000 0.468 138 T N -1.411 112.995 114.554 -0.247 0.000 3.011 138 T HA 0.344 4.582 4.350 -0.187 0.000 0.303 138 T C -1.410 173.050 174.700 -0.400 0.000 0.997 138 T CA -0.755 61.188 62.100 -0.262 0.000 1.007 138 T CB 1.589 70.311 68.868 -0.243 0.000 1.017 138 T HN 0.028 nan 8.240 nan 0.000 0.443 139 D N 2.784 123.093 120.400 -0.153 0.000 2.402 139 D HA 0.237 4.765 4.640 -0.187 0.000 0.235 139 D C 0.289 176.647 176.300 0.096 0.000 1.226 139 D CA -0.572 53.380 54.000 -0.081 0.000 0.918 139 D CB 0.021 40.817 40.800 -0.007 0.000 1.043 139 D HN 0.626 nan 8.370 nan 0.000 0.506 140 F N 0.962 120.929 119.950 0.029 0.000 2.234 140 F HA -0.134 4.281 4.527 -0.186 0.000 0.296 140 F C 2.644 178.483 175.800 0.065 0.000 1.089 140 F CA 0.239 58.264 58.000 0.042 0.000 1.343 140 F CB 0.193 39.216 39.000 0.039 0.000 1.040 140 F HN 0.299 nan 8.300 nan 0.000 0.498 141 T N -0.682 114.028 114.554 0.261 0.000 2.759 141 T HA -0.175 4.063 4.350 -0.187 0.000 0.269 141 T C 2.140 176.921 174.700 0.135 0.000 1.042 141 T CA 1.881 64.132 62.100 0.251 0.000 1.140 141 T CB -0.273 68.734 68.868 0.230 0.000 0.864 141 T HN 0.149 nan 8.240 nan 0.000 0.455 142 S N 0.565 116.314 115.700 0.083 0.000 2.348 142 S HA -0.100 4.258 4.470 -0.187 0.000 0.221 142 S C 2.261 176.856 174.600 -0.009 0.000 1.033 142 S CA 1.872 60.075 58.200 0.007 0.000 1.010 142 S CB -0.758 62.462 63.200 0.033 0.000 0.891 142 S HN 0.632 nan 8.310 nan 0.000 0.442 143 T N 2.454 117.051 114.554 0.071 0.000 2.915 143 T HA 0.093 4.331 4.350 -0.187 0.000 0.269 143 T C 1.661 176.385 174.700 0.040 0.000 1.071 143 T CA 0.832 62.978 62.100 0.077 0.000 1.132 143 T CB -0.351 68.593 68.868 0.127 0.000 0.878 143 T HN 0.335 nan 8.240 nan 0.000 0.479 144 I N 0.711 121.316 120.570 0.058 0.000 2.546 144 I HA -0.080 3.978 4.170 -0.187 0.000 0.255 144 I C 2.565 178.659 176.117 -0.038 0.000 1.163 144 I CA 1.021 62.373 61.300 0.087 0.000 1.457 144 I CB -0.265 37.879 38.000 0.240 0.000 1.092 144 I HN 0.172 nan 8.210 nan 0.000 0.434 145 K N 1.719 121.927 120.400 -0.319 0.000 2.044 145 K HA -0.114 4.094 4.320 -0.187 0.000 0.204 145 K C 2.306 178.773 176.600 -0.221 0.000 1.045 145 K CA 0.860 56.772 56.287 -0.624 0.000 0.951 145 K CB -0.113 31.860 32.500 -0.879 0.000 0.738 145 K HN 0.212 nan 8.250 nan 0.000 0.443 146 L N 1.712 122.861 121.223 -0.124 0.000 2.051 146 L HA -0.166 4.062 4.340 -0.187 0.000 0.214 146 L C 1.422 178.326 176.870 0.057 0.000 1.076 146 L CA 1.353 56.177 54.840 -0.026 0.000 0.758 146 L CB -0.157 41.901 42.059 -0.002 0.000 0.890 146 L HN 0.234 nan 8.230 nan 0.000 0.433 147 L N 0.674 121.902 121.223 0.009 0.000 2.873 147 L HA 0.008 4.236 4.340 -0.187 0.000 0.252 147 L C 1.001 177.920 176.870 0.081 0.000 1.266 147 L CA 0.078 54.916 54.840 -0.004 0.000 1.111 147 L CB -0.748 41.283 42.059 -0.047 0.000 1.440 147 L HN 0.394 nan 8.230 nan 0.000 0.427 148 N N -0.755 118.007 118.700 0.102 0.000 2.008 148 N HA 0.048 4.676 4.740 -0.187 0.000 0.228 148 N C 0.159 175.706 175.510 0.062 0.000 1.375 148 N CA -0.026 53.077 53.050 0.087 0.000 0.856 148 N CB 1.114 39.638 38.487 0.063 0.000 1.096 148 N HN 0.385 nan 8.380 nan 0.000 0.489 149 E N 0.964 121.191 120.200 0.045 0.000 2.436 149 E HA -0.025 4.213 4.350 -0.187 0.000 0.262 149 E C 0.387 176.931 176.600 -0.092 0.000 1.063 149 E CA 0.116 56.487 56.400 -0.049 0.000 0.944 149 E CB 0.526 30.159 29.700 -0.112 0.000 0.950 149 E HN 0.088 nan 8.360 nan 0.000 0.444 150 N N 0.607 119.238 118.700 -0.114 0.000 2.588 150 N HA -0.126 4.502 4.740 -0.187 0.000 0.190 150 N C 1.053 176.437 175.510 -0.211 0.000 1.094 150 N CA 0.668 53.645 53.050 -0.121 0.000 0.921 150 N CB 0.095 38.521 38.487 -0.101 0.000 0.959 150 N HN 0.236 nan 8.380 nan 0.000 0.448 151 S N -0.472 114.988 115.700 -0.400 0.000 2.399 151 S HA -0.123 4.235 4.470 -0.187 0.000 0.231 151 S C -0.231 173.969 174.600 -0.666 0.000 1.022 151 S CA 1.082 58.864 58.200 -0.697 0.000 0.983 151 S CB -0.190 62.281 63.200 -1.216 0.000 0.803 151 S HN 0.544 nan 8.310 nan 0.000 0.480 152 Y N -1.295 118.961 120.300 -0.073 0.000 2.580 152 Y HA 0.598 5.037 4.550 -0.186 0.000 0.305 152 Y C 0.216 176.092 175.900 -0.041 0.000 1.069 152 Y CA -1.030 57.038 58.100 -0.054 0.000 1.193 152 Y CB -0.574 37.856 38.460 -0.051 0.000 1.126 152 Y HN -0.075 nan 8.280 nan 0.000 0.610 153 V N 1.097 121.058 119.914 0.077 0.000 2.635 153 V HA 0.384 4.392 4.120 -0.187 0.000 0.233 153 V C -1.937 174.164 176.094 0.011 0.000 1.097 153 V CA -0.357 61.972 62.300 0.048 0.000 1.134 153 V CB 0.347 32.175 31.823 0.008 0.000 0.841 153 V HN 0.259 nan 8.190 nan 0.000 0.496 154 P HA 0.211 nan 4.420 nan 0.000 0.220 154 P C -0.634 176.640 177.300 -0.043 0.000 1.806 154 P CA -0.183 62.867 63.100 -0.082 0.000 0.976 154 P CB -0.827 30.791 31.700 -0.136 0.000 1.952 155 R N 0.071 120.577 120.500 0.009 0.000 4.886 155 R HA 0.117 4.345 4.340 -0.187 0.000 0.181 155 R C 0.286 176.612 176.300 0.043 0.000 1.989 155 R CA -0.218 55.906 56.100 0.039 0.000 1.623 155 R CB -0.471 29.868 30.300 0.065 0.000 1.383 155 R HN 0.308 nan 8.270 nan 0.000 0.847 156 E N 1.329 121.540 120.200 0.019 0.000 2.428 156 E HA 0.080 4.318 4.350 -0.187 0.000 0.257 156 E C -0.335 176.330 176.600 0.108 0.000 1.197 156 E CA 0.057 56.495 56.400 0.063 0.000 0.974 156 E CB 0.571 30.296 29.700 0.041 0.000 0.976 156 E HN 0.603 nan 8.360 nan 0.000 0.463 157 A N 1.037 123.973 122.820 0.193 0.000 2.492 157 A HA 0.377 4.585 4.320 -0.187 0.000 0.254 157 A C 0.962 178.577 177.584 0.053 0.000 1.091 157 A CA 0.599 52.732 52.037 0.160 0.000 0.768 157 A CB -0.421 18.730 19.000 0.251 0.000 1.028 157 A HN 0.887 nan 8.150 nan 0.000 0.498 158 G N 2.072 110.890 108.800 0.029 0.000 2.225 158 G HA2 -0.175 3.673 3.960 -0.187 0.000 0.267 158 G HA3 -0.175 3.673 3.960 -0.187 0.000 0.267 158 G C 0.534 175.438 174.900 0.006 0.000 1.024 158 G CA 1.010 46.108 45.100 -0.002 0.000 0.784 158 G HN 2.061 nan 8.290 nan 0.000 0.507 159 S N -1.903 113.809 115.700 0.020 0.000 2.694 159 S HA 0.644 5.002 4.470 -0.187 0.000 0.278 159 S C 1.231 175.839 174.600 0.014 0.000 1.152 159 S CA 0.524 58.732 58.200 0.014 0.000 1.010 159 S CB 1.656 64.864 63.200 0.013 0.000 1.104 159 S HN 0.394 nan 8.310 nan 0.000 0.547 160 Q N 0.784 120.589 119.800 0.009 0.000 2.049 160 Q HA 0.007 4.235 4.340 -0.187 0.000 0.198 160 Q C 1.727 177.743 176.000 0.027 0.000 0.971 160 Q CA 1.648 57.458 55.803 0.011 0.000 0.833 160 Q CB -0.363 28.373 28.738 -0.002 0.000 0.896 160 Q HN 0.646 nan 8.270 nan 0.000 0.434 161 K N 1.244 121.662 120.400 0.029 0.000 2.032 161 K HA -0.187 4.021 4.320 -0.187 0.000 0.209 161 K C 1.814 178.475 176.600 0.100 0.000 1.048 161 K CA 1.536 57.865 56.287 0.070 0.000 0.927 161 K CB -0.970 31.564 32.500 0.057 0.000 0.712 161 K HN 0.437 nan 8.250 nan 0.000 0.441 162 D N 1.401 121.838 120.400 0.061 0.000 2.205 162 D HA -0.245 4.283 4.640 -0.187 0.000 0.190 162 D C 1.799 178.123 176.300 0.040 0.000 1.002 162 D CA 1.589 55.618 54.000 0.049 0.000 0.848 162 D CB -0.088 40.736 40.800 0.041 0.000 0.975 162 D HN 0.339 nan 8.370 nan 0.000 0.449 163 E N -0.381 119.839 120.200 0.033 0.000 2.219 163 E HA -0.202 4.036 4.350 -0.187 0.000 0.198 163 E C 1.955 178.584 176.600 0.047 0.000 0.998 163 E CA 0.816 57.231 56.400 0.025 0.000 0.818 163 E CB 0.082 29.793 29.700 0.018 0.000 0.741 163 E HN 0.307 nan 8.360 nan 0.000 0.477 164 N N 0.512 119.265 118.700 0.090 0.000 2.062 164 N HA -0.166 4.462 4.740 -0.187 0.000 0.191 164 N C 1.893 177.520 175.510 0.196 0.000 1.042 164 N CA 0.794 53.941 53.050 0.161 0.000 0.845 164 N CB -0.535 38.084 38.487 0.221 0.000 1.024 164 N HN 0.166 nan 8.380 nan 0.000 0.424 165 L N 1.656 122.969 121.223 0.150 0.000 2.079 165 L HA -0.066 4.162 4.340 -0.187 0.000 0.210 165 L C 2.150 178.977 176.870 -0.071 0.000 1.081 165 L CA 1.460 56.230 54.840 -0.116 0.000 0.752 165 L CB -1.091 40.809 42.059 -0.264 0.000 0.896 165 L HN 0.144 nan 8.230 nan 0.000 0.433 166 A N -0.222 122.566 122.820 -0.053 0.000 1.873 166 A HA -0.229 3.979 4.320 -0.187 0.000 0.218 166 A C 2.239 179.760 177.584 -0.106 0.000 1.193 166 A CA 2.277 54.256 52.037 -0.096 0.000 0.629 166 A CB -1.040 17.927 19.000 -0.054 0.000 0.826 166 A HN 0.513 nan 8.150 nan 0.000 0.447 167 L N -2.004 119.201 121.223 -0.030 0.000 2.201 167 L HA -0.168 4.060 4.340 -0.187 0.000 0.212 167 L C 2.594 179.451 176.870 -0.020 0.000 1.105 167 L CA 1.464 56.292 54.840 -0.021 0.000 0.775 167 L CB -0.712 41.362 42.059 0.025 0.000 0.913 167 L HN 0.608 nan 8.230 nan 0.000 0.440 168 Y N 0.948 121.164 120.300 -0.141 0.000 2.133 168 Y HA -0.181 4.258 4.550 -0.186 0.000 0.287 168 Y C 2.398 178.117 175.900 -0.301 0.000 1.134 168 Y CA 1.355 59.349 58.100 -0.176 0.000 1.133 168 Y CB -0.556 37.788 38.460 -0.194 0.000 0.987 168 Y HN -0.161 nan 8.280 nan 0.000 0.502 169 V N 0.990 120.568 119.914 -0.560 0.000 2.287 169 V HA -0.321 3.687 4.120 -0.187 0.000 0.248 169 V C 2.422 177.960 176.094 -0.927 0.000 1.053 169 V CA 2.299 64.064 62.300 -0.892 0.000 1.027 169 V CB -0.863 30.499 31.823 -0.769 0.000 0.646 169 V HN 0.478 nan 8.190 nan 0.000 0.447 170 E N 0.272 120.155 120.200 -0.528 0.000 2.070 170 E HA -0.311 3.927 4.350 -0.187 0.000 0.197 170 E C 2.231 178.705 176.600 -0.211 0.000 1.004 170 E CA 1.778 58.006 56.400 -0.287 0.000 0.805 170 E CB -0.206 29.417 29.700 -0.129 0.000 0.744 170 E HN 0.610 nan 8.360 nan 0.000 0.451 171 N N 0.006 118.565 118.700 -0.234 0.000 2.135 171 N HA -0.148 4.480 4.740 -0.187 0.000 0.186 171 N C 1.718 177.036 175.510 -0.320 0.000 1.027 171 N CA 0.882 53.822 53.050 -0.184 0.000 0.849 171 N CB 0.013 38.435 38.487 -0.109 0.000 1.002 171 N HN 0.175 nan 8.380 nan 0.000 0.425 172 E N 0.576 120.434 120.200 -0.570 0.000 2.070 172 E HA -0.179 4.059 4.350 -0.187 0.000 0.197 172 E C 2.002 178.061 176.600 -0.902 0.000 1.004 172 E CA 0.834 56.691 56.400 -0.905 0.000 0.805 172 E CB -0.615 28.436 29.700 -1.080 0.000 0.744 172 E HN 0.501 nan 8.360 nan 0.000 0.451 173 F N 0.831 120.532 119.950 -0.415 0.000 2.095 173 F HA -0.223 4.194 4.527 -0.184 0.000 0.298 173 F C 2.771 178.533 175.800 -0.064 0.000 1.104 173 F CA 0.787 58.759 58.000 -0.046 0.000 1.232 173 F CB -0.131 38.847 39.000 -0.037 0.000 0.987 173 F HN 0.002 nan 8.300 nan 0.000 0.475 174 R N 0.223 120.774 120.500 0.085 0.000 2.083 174 R HA -0.215 4.013 4.340 -0.187 0.000 0.237 174 R C 2.033 178.329 176.300 -0.007 0.000 1.137 174 R CA 1.726 57.857 56.100 0.051 0.000 0.951 174 R CB -0.586 29.726 30.300 0.019 0.000 0.851 174 R HN 0.359 nan 8.270 nan 0.000 0.434 175 E N 0.181 120.291 120.200 -0.151 0.000 2.110 175 E HA -0.177 4.061 4.350 -0.187 0.000 0.193 175 E C 1.234 177.790 176.600 -0.073 0.000 0.988 175 E CA 0.961 57.259 56.400 -0.171 0.000 0.804 175 E CB 0.017 29.527 29.700 -0.316 0.000 0.745 175 E HN 0.190 nan 8.360 nan 0.000 0.458 176 F N 0.829 120.802 119.950 0.038 0.000 2.583 176 F HA 0.004 4.419 4.527 -0.187 0.000 0.297 176 F C 1.433 177.257 175.800 0.039 0.000 1.131 176 F CA 1.057 59.077 58.000 0.033 0.000 1.467 176 F CB -0.395 38.622 39.000 0.027 0.000 1.097 176 F HN -0.004 nan 8.300 nan 0.000 0.586 177 K N -0.112 120.400 120.400 0.188 0.000 3.209 177 K HA -0.234 3.974 4.320 -0.187 0.000 0.289 177 K C -0.236 176.449 176.600 0.141 0.000 1.191 177 K CA 0.430 56.798 56.287 0.136 0.000 0.851 177 K CB -1.619 30.951 32.500 0.118 0.000 1.242 177 K HN 0.297 nan 8.250 nan 0.000 0.480 178 L N -1.962 119.361 121.223 0.165 0.000 2.476 178 L HA 0.412 4.640 4.340 -0.187 0.000 0.255 178 L C 1.190 178.138 176.870 0.131 0.000 1.218 178 L CA -0.012 54.910 54.840 0.137 0.000 0.819 178 L CB 0.482 42.601 42.059 0.100 0.000 1.119 178 L HN 0.050 nan 8.230 nan 0.000 0.485 179 S N -0.462 115.317 115.700 0.132 0.000 2.629 179 S HA 0.150 4.508 4.470 -0.187 0.000 0.250 179 S C 0.317 175.025 174.600 0.180 0.000 1.318 179 S CA -0.211 58.069 58.200 0.133 0.000 0.970 179 S CB 0.056 63.328 63.200 0.120 0.000 0.996 179 S HN 0.654 nan 8.310 nan 0.000 0.563 180 K N 0.062 120.581 120.400 0.198 0.000 2.604 180 K HA 0.098 4.306 4.320 -0.187 0.000 0.278 180 K C -0.524 176.341 176.600 0.443 0.000 0.975 180 K CA 0.702 57.158 56.287 0.281 0.000 1.066 180 K CB -0.271 32.367 32.500 0.229 0.000 0.840 180 K HN 0.425 nan 8.250 nan 0.000 0.491 181 V N 4.218 124.423 119.914 0.486 0.000 2.752 181 V HA 0.787 4.795 4.120 -0.187 0.000 0.302 181 V C -1.910 174.486 176.094 0.502 0.000 1.133 181 V CA -0.504 62.044 62.300 0.413 0.000 0.919 181 V CB 0.628 32.597 31.823 0.244 0.000 1.026 181 V HN 0.879 nan 8.190 nan 0.000 0.429 182 W N 4.953 126.365 121.300 0.186 0.000 3.335 182 W HA 0.886 5.434 4.660 -0.186 0.000 0.335 182 W C -0.828 175.812 176.519 0.202 0.000 1.164 182 W CA -1.271 56.169 57.345 0.158 0.000 1.010 182 W CB 1.003 30.531 29.460 0.113 0.000 1.524 182 W HN 0.565 nan 8.180 nan 0.000 0.605 183 R N 0.423 121.110 120.500 0.311 0.000 2.832 183 R HA 0.433 4.661 4.340 -0.187 0.000 0.271 183 R C -1.788 174.699 176.300 0.313 0.000 0.996 183 R CA -0.879 55.334 56.100 0.187 0.000 0.977 183 R CB 1.830 32.217 30.300 0.144 0.000 1.168 183 R HN 0.475 nan 8.270 nan 0.000 0.482 184 D N 0.904 121.460 120.400 0.259 0.000 2.473 184 D HA 0.085 4.613 4.640 -0.187 0.000 0.253 184 D C -1.232 175.139 176.300 0.119 0.000 1.233 184 D CA -0.407 53.774 54.000 0.302 0.000 0.908 184 D CB 1.275 42.421 40.800 0.578 0.000 1.170 184 D HN 0.301 nan 8.370 nan 0.000 0.558 185 Q N 2.556 122.338 119.800 -0.030 0.000 2.260 185 Q HA 0.398 4.626 4.340 -0.187 0.000 0.242 185 Q C -0.944 174.844 176.000 -0.353 0.000 0.932 185 Q CA -0.390 55.349 55.803 -0.107 0.000 0.891 185 Q CB 0.745 29.473 28.738 -0.016 0.000 1.222 185 Q HN 0.549 nan 8.270 nan 0.000 0.453 186 H N 2.024 121.077 119.070 -0.029 0.000 3.094 186 H HA 0.264 4.707 4.556 -0.188 0.000 0.346 186 H C -1.621 173.610 175.328 -0.161 0.000 1.238 186 H CA -0.482 55.585 56.048 0.033 0.000 1.209 186 H CB 0.833 30.649 29.762 0.090 0.000 1.911 186 H HN 0.602 nan 8.280 nan 0.000 0.540 187 F N 2.244 122.339 119.950 0.241 0.000 2.443 187 F HA 0.296 4.711 4.527 -0.187 0.000 0.369 187 F C 0.406 176.312 175.800 0.175 0.000 1.090 187 F CA -0.755 57.353 58.000 0.180 0.000 1.129 187 F CB 1.205 40.307 39.000 0.170 0.000 1.367 187 F HN 0.203 nan 8.300 nan 0.000 0.465 188 V N -0.311 119.745 119.914 0.237 0.000 2.881 188 V HA 0.596 4.604 4.120 -0.187 0.000 0.316 188 V C -0.323 175.887 176.094 0.193 0.000 1.070 188 V CA -1.177 61.246 62.300 0.205 0.000 0.976 188 V CB 1.902 33.797 31.823 0.119 0.000 1.038 188 V HN 0.479 nan 8.190 nan 0.000 0.446 189 K N 3.029 123.586 120.400 0.262 0.000 2.285 189 K HA 0.520 4.728 4.320 -0.187 0.000 0.286 189 K C -1.082 175.643 176.600 0.208 0.000 1.072 189 K CA -0.347 56.092 56.287 0.254 0.000 0.913 189 K CB 1.242 33.930 32.500 0.313 0.000 1.067 189 K HN 0.550 nan 8.250 nan 0.000 0.479 190 I N 1.969 122.528 120.570 -0.020 0.000 2.793 190 I HA 0.140 4.198 4.170 -0.187 0.000 0.313 190 I C 0.027 176.041 176.117 -0.172 0.000 0.998 190 I CA -0.493 60.623 61.300 -0.306 0.000 1.140 190 I CB 1.775 39.394 38.000 -0.634 0.000 1.327 190 I HN 0.494 nan 8.210 nan 0.000 0.491 191 Q N 4.042 123.722 119.800 -0.201 0.000 2.312 191 Q HA 0.761 4.989 4.340 -0.187 0.000 0.263 191 Q C -1.648 174.508 176.000 0.260 0.000 0.995 191 Q CA -0.679 55.129 55.803 0.009 0.000 0.853 191 Q CB 1.843 30.542 28.738 -0.065 0.000 1.300 191 Q HN 0.559 nan 8.270 nan 0.000 0.448 192 V N -0.002 119.982 119.914 0.116 0.000 3.102 192 V HA 0.562 4.570 4.120 -0.187 0.000 0.312 192 V C -0.740 175.193 176.094 -0.268 0.000 1.135 192 V CA -1.318 60.949 62.300 -0.054 0.000 1.022 192 V CB 1.711 33.518 31.823 -0.028 0.000 1.056 192 V HN 0.829 nan 8.190 nan 0.000 0.436 193 K N 1.609 121.665 120.400 -0.573 0.000 2.412 193 K HA 0.134 4.342 4.320 -0.187 0.000 0.284 193 K C -0.229 176.265 176.600 -0.177 0.000 1.046 193 K CA 0.049 56.090 56.287 -0.411 0.000 0.999 193 K CB 0.245 32.486 32.500 -0.432 0.000 0.941 193 K HN 0.980 nan 8.250 nan 0.000 0.474 194 D N 1.961 122.298 120.400 -0.105 0.000 2.357 194 D HA -0.043 4.485 4.640 -0.187 0.000 0.242 194 D C 1.079 177.349 176.300 -0.050 0.000 1.153 194 D CA 0.219 54.185 54.000 -0.057 0.000 0.918 194 D CB 1.070 41.852 40.800 -0.031 0.000 1.181 194 D HN 0.476 nan 8.370 nan 0.000 0.435 195 S N 1.787 117.465 115.700 -0.036 0.000 2.407 195 S HA -0.185 4.173 4.470 -0.187 0.000 0.235 195 S C 1.101 175.686 174.600 -0.024 0.000 1.036 195 S CA 0.601 58.783 58.200 -0.029 0.000 1.013 195 S CB -0.671 62.515 63.200 -0.023 0.000 0.820 195 S HN 0.643 nan 8.310 nan 0.000 0.476 196 A N 2.313 125.120 122.820 -0.021 0.000 2.440 196 A HA 0.374 4.582 4.320 -0.187 0.000 0.251 196 A C 0.423 177.997 177.584 -0.017 0.000 1.089 196 A CA -0.380 51.647 52.037 -0.016 0.000 0.779 196 A CB 0.164 19.158 19.000 -0.011 0.000 1.022 196 A HN 0.322 nan 8.150 nan 0.000 0.492 197 Q N 1.897 121.689 119.800 -0.014 0.000 2.304 197 Q HA 0.106 4.334 4.340 -0.187 0.000 0.260 197 Q C -0.313 175.682 176.000 -0.008 0.000 0.965 197 Q CA 0.170 55.966 55.803 -0.012 0.000 0.898 197 Q CB 0.597 29.328 28.738 -0.012 0.000 1.196 197 Q HN 0.760 nan 8.270 nan 0.000 0.402 198 N N 1.094 119.793 118.700 -0.001 0.000 2.529 198 N HA 0.271 4.899 4.740 -0.187 0.000 0.278 198 N C -0.462 175.050 175.510 0.003 0.000 1.146 198 N CA 0.066 53.121 53.050 0.008 0.000 0.980 198 N CB 1.167 39.669 38.487 0.024 0.000 1.124 198 N HN 0.564 nan 8.380 nan 0.000 0.458 199 S N -1.141 114.558 115.700 -0.001 0.000 2.565 199 S HA 0.508 4.866 4.470 -0.187 0.000 0.269 199 S C -0.860 173.733 174.600 -0.012 0.000 1.153 199 S CA -0.970 57.222 58.200 -0.013 0.000 0.835 199 S CB 1.060 64.240 63.200 -0.033 0.000 1.122 199 S HN 0.275 nan 8.310 nan 0.000 0.462 200 V N -0.146 119.756 119.914 -0.020 0.000 2.448 200 V HA 0.933 4.941 4.120 -0.187 0.000 0.295 200 V C -0.761 175.314 176.094 -0.032 0.000 1.025 200 V CA -0.664 61.626 62.300 -0.016 0.000 0.859 200 V CB 0.830 32.647 31.823 -0.011 0.000 0.988 200 V HN 1.073 nan 8.190 nan 0.000 0.431 201 I N 4.988 125.543 120.570 -0.025 0.000 2.571 201 I HA 0.589 4.647 4.170 -0.187 0.000 0.289 201 I C -0.527 175.583 176.117 -0.011 0.000 1.115 201 I CA -0.851 60.430 61.300 -0.032 0.000 1.045 201 I CB 1.774 39.747 38.000 -0.044 0.000 1.238 201 I HN 0.715 nan 8.210 nan 0.000 0.424 202 I N 7.759 128.327 120.570 -0.003 0.000 2.556 202 I HA 0.482 4.540 4.170 -0.187 0.000 0.284 202 I C -0.119 176.004 176.117 0.011 0.000 1.114 202 I CA -0.283 61.023 61.300 0.010 0.000 1.418 202 I CB 0.942 38.953 38.000 0.019 0.000 1.394 202 I HN 0.538 nan 8.210 nan 0.000 0.552 203 V N 5.465 125.388 119.914 0.014 0.000 3.167 203 V HA 0.389 4.397 4.120 -0.187 0.000 0.293 203 V C -1.147 174.958 176.094 0.018 0.000 1.379 203 V CA -0.665 61.644 62.300 0.014 0.000 1.019 203 V CB 2.223 34.051 31.823 0.008 0.000 1.115 203 V HN 0.733 nan 8.190 nan 0.000 0.442 204 D N 1.778 122.189 120.400 0.017 0.000 2.430 204 D HA 0.363 4.891 4.640 -0.187 0.000 0.285 204 D C 0.728 177.038 176.300 0.017 0.000 1.210 204 D CA -0.262 53.749 54.000 0.019 0.000 1.080 204 D CB 0.909 41.720 40.800 0.018 0.000 1.134 204 D HN 0.709 nan 8.370 nan 0.000 0.562 205 K N 0.600 121.010 120.400 0.017 0.000 2.668 205 K HA 0.010 4.218 4.320 -0.187 0.000 0.204 205 K C 0.114 176.722 176.600 0.014 0.000 1.016 205 K CA 0.226 56.523 56.287 0.016 0.000 1.131 205 K CB -0.528 31.982 32.500 0.016 0.000 0.891 205 K HN 0.312 nan 8.250 nan 0.000 0.499 206 N N -2.426 116.282 118.700 0.013 0.000 3.197 206 N HA -0.116 4.513 4.740 -0.187 0.000 0.319 206 N C -0.514 175.002 175.510 0.010 0.000 1.276 206 N CA -0.293 52.764 53.050 0.011 0.000 0.799 206 N CB -0.542 37.952 38.487 0.010 0.000 1.793 206 N HN -0.031 nan 8.380 nan 0.000 0.349 207 G N 1.306 110.111 108.800 0.009 0.000 2.318 207 G HA2 -0.202 3.646 3.960 -0.187 0.000 0.218 207 G HA3 -0.202 3.646 3.960 -0.187 0.000 0.218 207 G C 0.306 175.211 174.900 0.009 0.000 0.329 207 G CA 0.933 46.038 45.100 0.009 0.000 1.034 207 G HN 0.932 nan 8.290 nan 0.000 0.438 208 R N 2.115 122.618 120.500 0.005 0.000 3.097 208 R HA 0.377 4.605 4.340 -0.187 0.000 0.212 208 R C 0.901 177.204 176.300 0.006 0.000 1.651 208 R CA -0.487 55.614 56.100 0.003 0.000 1.134 208 R CB 0.072 30.368 30.300 -0.006 0.000 1.241 208 R HN 0.412 nan 8.270 nan 0.000 0.640 209 L N 2.500 123.731 121.223 0.013 0.000 2.341 209 L HA 0.125 4.353 4.340 -0.187 0.000 0.185 209 L C 0.776 177.663 176.870 0.027 0.000 1.091 209 L CA 0.528 55.380 54.840 0.021 0.000 0.899 209 L CB 0.240 42.313 42.059 0.024 0.000 1.357 209 L HN 0.495 nan 8.230 nan 0.000 0.535 210 V N -1.166 118.775 119.914 0.045 0.000 3.868 210 V HA -0.340 3.668 4.120 -0.187 0.000 0.549 210 V C -0.428 175.725 176.094 0.099 0.000 0.697 210 V CA 1.065 63.411 62.300 0.076 0.000 2.118 210 V CB -0.598 31.268 31.823 0.071 0.000 2.500 210 V HN 1.112 nan 8.190 nan 0.000 0.523 211 Y N 3.478 123.778 120.300 -0.000 0.000 2.299 211 Y HA 0.531 4.969 4.550 -0.187 0.000 0.335 211 Y C 0.145 176.044 175.900 -0.002 0.000 1.287 211 Y CA -0.368 57.732 58.100 -0.000 0.000 1.424 211 Y CB 0.688 39.148 38.460 -0.001 0.000 1.326 211 Y HN 0.807 nan 8.280 nan 0.000 0.567 212 L N 6.174 126.845 121.223 -0.921 0.000 2.574 212 L HA 0.051 4.279 4.340 -0.187 0.000 0.281 212 L C 0.709 177.105 176.870 -0.790 0.000 1.212 212 L CA 0.410 54.815 54.840 -0.725 0.000 1.082 212 L CB -1.011 40.673 42.059 -0.626 0.000 1.362 212 L HN 0.878 nan 8.230 nan 0.000 0.451 213 V N 2.369 122.149 119.914 -0.225 0.000 2.251 213 V HA -0.300 3.708 4.120 -0.187 0.000 0.259 213 V C 1.027 177.154 176.094 0.055 0.000 1.078 213 V CA 2.234 64.563 62.300 0.049 0.000 1.072 213 V CB -0.807 31.025 31.823 0.016 0.000 0.681 213 V HN 0.921 nan 8.190 nan 0.000 0.454 214 E N -1.628 118.543 120.200 -0.048 0.000 2.472 214 E HA 0.177 4.415 4.350 -0.187 0.000 0.290 214 E C -1.442 175.143 176.600 -0.026 0.000 1.059 214 E CA -0.536 55.859 56.400 -0.008 0.000 0.861 214 E CB 0.798 30.524 29.700 0.044 0.000 1.213 214 E HN 0.270 nan 8.360 nan 0.000 0.425 215 N N 4.621 123.313 118.700 -0.013 0.000 2.949 215 N HA 0.273 4.901 4.740 -0.187 0.000 0.243 215 N C -2.618 172.909 175.510 0.028 0.000 1.113 215 N CA -1.307 51.740 53.050 -0.004 0.000 0.980 215 N CB 1.004 39.485 38.487 -0.010 0.000 1.256 215 N HN 0.268 nan 8.380 nan 0.000 0.508 216 P HA -0.106 nan 4.420 nan 0.000 0.262 216 P C 1.131 178.483 177.300 0.086 0.000 1.151 216 P CA 0.426 63.555 63.100 0.050 0.000 0.757 216 P CB 0.694 32.410 31.700 0.026 0.000 0.754 217 G N 2.596 111.471 108.800 0.126 0.000 2.494 217 G HA2 0.147 3.995 3.960 -0.187 0.000 0.216 217 G HA3 0.147 3.995 3.960 -0.187 0.000 0.216 217 G C 0.739 175.835 174.900 0.326 0.000 1.140 217 G CA 0.690 45.906 45.100 0.193 0.000 0.801 217 G HN 0.692 nan 8.290 nan 0.000 0.536 218 G N -1.236 107.723 108.800 0.265 0.000 2.938 218 G HA2 0.651 4.499 3.960 -0.187 0.000 0.258 218 G HA3 0.651 4.499 3.960 -0.187 0.000 0.258 218 G C -1.066 173.959 174.900 0.209 0.000 1.356 218 G CA -0.783 44.469 45.100 0.254 0.000 1.052 218 G HN 0.578 nan 8.290 nan 0.000 0.550 219 Y N -3.531 116.648 120.300 -0.202 0.000 2.713 219 Y HA 0.622 5.060 4.550 -0.187 0.000 0.335 219 Y C -1.372 174.357 175.900 -0.285 0.000 1.222 219 Y CA -1.552 56.452 58.100 -0.161 0.000 1.061 219 Y CB 1.367 39.813 38.460 -0.023 0.000 1.314 219 Y HN 0.404 nan 8.280 nan 0.000 0.453 220 V N 2.978 122.672 119.914 -0.367 0.000 2.318 220 V HA 0.660 4.668 4.120 -0.187 0.000 0.271 220 V C 0.703 176.570 176.094 -0.377 0.000 1.030 220 V CA -0.276 61.699 62.300 -0.542 0.000 0.844 220 V CB 0.235 31.899 31.823 -0.265 0.000 1.015 220 V HN 1.007 nan 8.190 nan 0.000 0.460 221 A N 3.766 126.220 122.820 -0.609 0.000 2.504 221 A HA 0.322 4.530 4.320 -0.187 0.000 0.242 221 A C 0.607 178.191 177.584 -0.000 0.000 1.100 221 A CA 0.298 52.184 52.037 -0.253 0.000 0.786 221 A CB -0.548 18.254 19.000 -0.330 0.000 1.050 221 A HN 1.083 nan 8.150 nan 0.000 0.512 222 Y N -0.882 119.503 120.300 0.142 0.000 4.317 222 Y HA -0.238 4.201 4.550 -0.186 0.000 0.212 222 Y C 1.290 177.249 175.900 0.098 0.000 1.080 222 Y CA 0.964 59.135 58.100 0.118 0.000 1.735 222 Y CB -1.898 36.609 38.460 0.079 0.000 1.567 222 Y HN 0.687 nan 8.280 nan 0.000 0.619 223 S N 0.772 116.578 115.700 0.177 0.000 2.576 223 S HA 0.288 4.646 4.470 -0.187 0.000 0.276 223 S C 0.276 174.957 174.600 0.135 0.000 1.339 223 S CA -0.784 57.498 58.200 0.136 0.000 1.039 223 S CB 0.782 64.040 63.200 0.096 0.000 0.902 223 S HN 0.272 nan 8.310 nan 0.000 0.516 224 K N 3.183 123.652 120.400 0.114 0.000 2.472 224 K HA 0.252 4.461 4.320 -0.187 0.000 0.280 224 K C -0.221 176.431 176.600 0.086 0.000 1.028 224 K CA 0.489 56.835 56.287 0.100 0.000 1.045 224 K CB 0.006 32.555 32.500 0.083 0.000 0.902 224 K HN 0.588 nan 8.250 nan 0.000 0.478 225 A N 3.884 126.753 122.820 0.082 0.000 2.539 225 A HA 0.574 4.782 4.320 -0.187 0.000 0.306 225 A C -0.257 177.358 177.584 0.052 0.000 1.392 225 A CA 0.353 52.430 52.037 0.066 0.000 1.060 225 A CB -0.721 18.316 19.000 0.062 0.000 1.134 225 A HN 0.952 nan 8.150 nan 0.000 0.542 226 A N 1.545 124.393 122.820 0.047 0.000 2.483 226 A HA 0.882 5.090 4.320 -0.187 0.000 0.306 226 A C -0.415 177.190 177.584 0.034 0.000 1.137 226 A CA 0.124 52.185 52.037 0.039 0.000 0.626 226 A CB 0.707 19.731 19.000 0.041 0.000 1.352 226 A HN 1.486 nan 8.150 nan 0.000 0.508 227 T N -0.202 114.370 114.554 0.029 0.000 3.237 227 T HA 0.625 4.863 4.350 -0.187 0.000 0.319 227 T C -1.326 173.389 174.700 0.025 0.000 1.037 227 T CA 0.262 62.377 62.100 0.025 0.000 1.048 227 T CB 0.498 69.377 68.868 0.019 0.000 1.081 227 T HN 2.202 nan 8.240 nan 0.000 0.455 228 V N 1.456 121.386 119.914 0.026 0.000 3.188 228 V HA 0.997 5.005 4.120 -0.187 0.000 0.305 228 V C -0.523 175.587 176.094 0.026 0.000 1.232 228 V CA -0.741 61.575 62.300 0.026 0.000 1.043 228 V CB 1.572 33.414 31.823 0.031 0.000 1.068 228 V HN 0.935 nan 8.190 nan 0.000 0.439 229 T N 0.008 114.578 114.554 0.025 0.000 2.903 229 T HA 0.954 5.192 4.350 -0.187 0.000 0.299 229 T C -0.204 174.514 174.700 0.029 0.000 1.093 229 T CA 0.495 62.610 62.100 0.026 0.000 1.002 229 T CB 1.389 70.269 68.868 0.021 0.000 1.127 229 T HN 2.421 nan 8.240 nan 0.000 0.488 230 G N 2.124 110.944 108.800 0.033 0.000 2.336 230 G HA2 0.314 4.162 3.960 -0.187 0.000 0.286 230 G HA3 0.314 4.162 3.960 -0.187 0.000 0.286 230 G C -1.499 173.427 174.900 0.043 0.000 1.269 230 G CA -0.918 44.203 45.100 0.036 0.000 0.873 230 G HN 0.829 nan 8.290 nan 0.000 0.494 231 K N -0.741 119.687 120.400 0.047 0.000 2.344 231 K HA 0.352 4.560 4.320 -0.187 0.000 0.260 231 K C -0.841 175.801 176.600 0.070 0.000 0.988 231 K CA -0.049 56.272 56.287 0.057 0.000 0.909 231 K CB 0.965 33.499 32.500 0.056 0.000 0.968 231 K HN 0.362 nan 8.250 nan 0.000 0.505 232 L N 2.262 123.538 121.223 0.087 0.000 2.454 232 L HA 0.212 4.440 4.340 -0.187 0.000 0.258 232 L C -1.020 175.944 176.870 0.157 0.000 1.025 232 L CA -0.553 54.353 54.840 0.111 0.000 0.901 232 L CB 1.315 43.431 42.059 0.097 0.000 1.210 232 L HN 0.321 nan 8.230 nan 0.000 0.457 233 V N 2.715 122.727 119.914 0.164 0.000 2.953 233 V HA 0.263 4.271 4.120 -0.187 0.000 0.304 233 V C -0.378 175.898 176.094 0.303 0.000 1.073 233 V CA -0.535 61.888 62.300 0.205 0.000 1.064 233 V CB 1.265 33.182 31.823 0.156 0.000 1.047 233 V HN 0.782 nan 8.190 nan 0.000 0.478 234 H N 2.264 121.466 119.070 0.221 0.000 2.645 234 H HA 0.622 5.066 4.556 -0.187 0.000 0.257 234 H C -0.073 175.405 175.328 0.250 0.000 1.269 234 H CA -0.422 55.790 56.048 0.273 0.000 1.409 234 H CB 0.433 30.411 29.762 0.360 0.000 1.434 234 H HN 0.773 nan 8.280 nan 0.000 0.505 235 A N 4.640 127.465 122.820 0.008 0.000 2.666 235 A HA 0.176 4.385 4.320 -0.187 0.000 0.312 235 A C 0.454 177.862 177.584 -0.294 0.000 1.471 235 A CA -0.511 51.484 52.037 -0.069 0.000 1.134 235 A CB -0.975 18.055 19.000 0.050 0.000 1.129 235 A HN 0.921 nan 8.150 nan 0.000 0.539 236 N N 2.112 120.392 118.700 -0.700 0.000 2.098 236 N HA -0.162 4.466 4.740 -0.187 0.000 0.268 236 N C -0.165 175.175 175.510 -0.283 0.000 1.238 236 N CA 0.864 53.336 53.050 -0.962 0.000 0.822 236 N CB -0.621 36.467 38.487 -2.333 0.000 1.063 236 N HN 0.603 nan 8.380 nan 0.000 0.471 237 F N 0.941 120.758 119.950 -0.221 0.000 2.284 237 F HA -0.242 4.173 4.527 -0.186 0.000 0.197 237 F C 1.685 177.427 175.800 -0.096 0.000 1.023 237 F CA 0.029 57.983 58.000 -0.077 0.000 0.858 237 F CB -1.333 37.727 39.000 0.099 0.000 0.933 237 F HN 0.876 nan 8.300 nan 0.000 0.803 238 G N 3.171 112.001 108.800 0.050 0.000 2.379 238 G HA2 -0.219 3.629 3.960 -0.187 0.000 0.281 238 G HA3 -0.219 3.629 3.960 -0.187 0.000 0.281 238 G C 0.931 175.804 174.900 -0.045 0.000 0.855 238 G CA 1.352 46.426 45.100 -0.043 0.000 1.105 238 G HN 1.972 nan 8.290 nan 0.000 0.482 239 T N -3.074 111.492 114.554 0.020 0.000 10.479 239 T HA -0.497 3.741 4.350 -0.187 0.000 0.411 239 T C 1.539 176.157 174.700 -0.137 0.000 1.504 239 T CA 2.594 64.711 62.100 0.027 0.000 2.475 239 T CB -1.668 67.205 68.868 0.009 0.000 2.895 239 T HN 2.090 nan 8.240 nan 0.000 1.096 240 K N 1.552 121.784 120.400 -0.280 0.000 3.445 240 K HA -0.438 3.770 4.320 -0.187 0.000 0.316 240 K C 0.985 177.384 176.600 -0.334 0.000 1.278 240 K CA 2.840 58.830 56.287 -0.495 0.000 0.976 240 K CB -1.268 30.491 32.500 -1.235 0.000 1.238 240 K HN 0.997 nan 8.250 nan 0.000 0.430 241 K N -1.516 118.773 120.400 -0.184 0.000 3.443 241 K HA -0.342 3.866 4.320 -0.187 0.000 0.323 241 K C 0.793 177.348 176.600 -0.075 0.000 0.757 241 K CA 2.282 58.508 56.287 -0.101 0.000 1.417 241 K CB -1.538 30.899 32.500 -0.104 0.000 1.338 241 K HN 0.423 nan 8.250 nan 0.000 0.459 242 D N -0.305 120.002 120.400 -0.155 0.000 2.106 242 D HA 0.017 4.545 4.640 -0.187 0.000 0.203 242 D C 1.685 178.062 176.300 0.129 0.000 0.977 242 D CA 1.702 55.667 54.000 -0.059 0.000 0.844 242 D CB -0.413 40.287 40.800 -0.166 0.000 1.002 242 D HN 0.463 nan 8.370 nan 0.000 0.461 243 F N 0.710 120.642 119.950 -0.030 0.000 2.346 243 F HA -0.129 4.287 4.527 -0.186 0.000 0.301 243 F C 2.181 177.994 175.800 0.022 0.000 1.070 243 F CA 0.297 58.273 58.000 -0.040 0.000 1.407 243 F CB -0.016 38.859 39.000 -0.208 0.000 1.072 243 F HN 0.036 nan 8.300 nan 0.000 0.543 244 E N 0.118 120.430 120.200 0.185 0.000 2.333 244 E HA -0.154 4.084 4.350 -0.187 0.000 0.198 244 E C 0.363 177.042 176.600 0.133 0.000 1.007 244 E CA 0.789 57.267 56.400 0.129 0.000 0.845 244 E CB -0.460 29.284 29.700 0.073 0.000 0.766 244 E HN 0.398 nan 8.360 nan 0.000 0.507 245 D N 1.251 121.742 120.400 0.152 0.000 2.801 245 D HA 0.095 4.623 4.640 -0.187 0.000 0.232 245 D C 0.342 176.744 176.300 0.170 0.000 1.128 245 D CA 0.068 54.150 54.000 0.137 0.000 1.003 245 D CB -0.378 40.498 40.800 0.126 0.000 1.110 245 D HN 0.083 nan 8.370 nan 0.000 0.477 246 L N -2.309 119.018 121.223 0.172 0.000 2.256 246 L HA 0.443 4.671 4.340 -0.187 0.000 0.261 246 L C 1.151 178.123 176.870 0.171 0.000 1.022 246 L CA -0.864 54.097 54.840 0.201 0.000 0.828 246 L CB 0.818 43.035 42.059 0.262 0.000 1.374 246 L HN -0.174 nan 8.230 nan 0.000 0.436 247 Y N 0.834 121.167 120.300 0.055 0.000 2.034 247 Y HA -0.066 4.372 4.550 -0.187 0.000 0.269 247 Y C 1.048 176.975 175.900 0.046 0.000 1.125 247 Y CA 1.972 60.093 58.100 0.035 0.000 1.097 247 Y CB -0.403 38.061 38.460 0.007 0.000 0.978 247 Y HN 0.700 nan 8.280 nan 0.000 0.480 248 T N 4.899 119.446 114.554 -0.013 0.000 2.871 248 T HA 0.097 4.335 4.350 -0.187 0.000 0.296 248 T C -2.323 172.344 174.700 -0.056 0.000 0.998 248 T CA -0.829 61.215 62.100 -0.092 0.000 1.162 248 T CB 0.433 69.354 68.868 0.088 0.000 0.947 248 T HN 0.258 nan 8.240 nan 0.000 0.536 249 P HA 0.226 nan 4.420 nan 0.000 0.282 249 P C 0.572 177.876 177.300 0.007 0.000 1.249 249 P CA -0.543 62.533 63.100 -0.040 0.000 0.806 249 P CB 1.132 32.792 31.700 -0.066 0.000 0.984 250 V N -1.754 118.176 119.914 0.026 0.000 3.483 250 V HA 0.203 4.211 4.120 -0.187 0.000 0.301 250 V C 0.838 176.953 176.094 0.034 0.000 1.389 250 V CA -0.282 62.044 62.300 0.043 0.000 1.101 250 V CB -1.389 30.468 31.823 0.057 0.000 0.971 250 V HN 0.395 nan 8.190 nan 0.000 0.434 251 N N 3.537 122.250 118.700 0.021 0.000 2.349 251 N HA 0.220 4.848 4.740 -0.187 0.000 0.296 251 N C 1.037 176.560 175.510 0.023 0.000 1.304 251 N CA 1.377 54.439 53.050 0.019 0.000 1.051 251 N CB -0.807 37.685 38.487 0.009 0.000 1.466 251 N HN 0.976 nan 8.380 nan 0.000 0.487 252 G N 2.019 110.837 108.800 0.029 0.000 2.545 252 G HA2 -0.093 3.755 3.960 -0.187 0.000 0.279 252 G HA3 -0.093 3.755 3.960 -0.187 0.000 0.279 252 G C -0.677 174.244 174.900 0.036 0.000 1.131 252 G CA 0.091 45.209 45.100 0.031 0.000 1.100 252 G HN 1.220 nan 8.290 nan 0.000 0.525 253 S N -0.915 114.811 115.700 0.043 0.000 2.558 253 S HA 0.661 5.019 4.470 -0.187 0.000 0.277 253 S C -0.167 174.469 174.600 0.061 0.000 1.143 253 S CA -0.968 57.262 58.200 0.051 0.000 0.865 253 S CB 1.373 64.605 63.200 0.054 0.000 1.102 253 S HN 0.923 nan 8.310 nan 0.000 0.454 254 I N 1.641 122.249 120.570 0.064 0.000 2.892 254 I HA 0.312 4.370 4.170 -0.187 0.000 0.287 254 I C -0.308 175.867 176.117 0.095 0.000 1.205 254 I CA -0.283 61.060 61.300 0.073 0.000 1.409 254 I CB 0.574 38.614 38.000 0.066 0.000 1.367 254 I HN 0.492 nan 8.210 nan 0.000 0.597 255 V N 6.178 126.156 119.914 0.106 0.000 2.876 255 V HA 0.488 4.496 4.120 -0.187 0.000 0.312 255 V C -0.164 176.034 176.094 0.173 0.000 1.085 255 V CA -0.616 61.767 62.300 0.140 0.000 0.945 255 V CB 2.215 34.108 31.823 0.117 0.000 1.017 255 V HN 0.431 nan 8.190 nan 0.000 0.428 256 I N 3.818 124.547 120.570 0.264 0.000 2.562 256 I HA 0.806 4.864 4.170 -0.187 0.000 0.301 256 I C -0.575 175.772 176.117 0.383 0.000 1.003 256 I CA -0.914 60.602 61.300 0.362 0.000 1.127 256 I CB 1.994 40.298 38.000 0.507 0.000 1.304 256 I HN 0.547 nan 8.210 nan 0.000 0.446 257 V N 2.147 122.214 119.914 0.256 0.000 3.178 257 V HA 0.608 4.616 4.120 -0.187 0.000 0.302 257 V C -0.852 175.169 176.094 -0.121 0.000 1.262 257 V CA -1.148 61.200 62.300 0.080 0.000 1.030 257 V CB 2.038 33.868 31.823 0.012 0.000 1.074 257 V HN 0.728 nan 8.190 nan 0.000 0.438 258 R N 1.768 122.183 120.500 -0.141 0.000 2.500 258 R HA 0.806 5.034 4.340 -0.187 0.000 0.277 258 R C 0.117 176.416 176.300 -0.001 0.000 1.026 258 R CA 0.027 55.998 56.100 -0.215 0.000 1.058 258 R CB 1.563 31.827 30.300 -0.060 0.000 1.078 258 R HN 1.147 nan 8.270 nan 0.000 0.509 259 A N 1.512 124.290 122.820 -0.071 0.000 2.350 259 A HA 0.541 4.749 4.320 -0.187 0.000 0.293 259 A C 0.366 177.991 177.584 0.068 0.000 1.231 259 A CA 0.448 52.381 52.037 -0.174 0.000 0.883 259 A CB 0.122 18.915 19.000 -0.344 0.000 1.133 259 A HN 0.891 nan 8.150 nan 0.000 0.533 260 G N 1.426 110.071 108.800 -0.259 0.000 3.218 260 G HA2 0.169 4.017 3.960 -0.187 0.000 0.143 260 G HA3 0.169 4.017 3.960 -0.187 0.000 0.143 260 G C 0.719 175.216 174.900 -0.671 0.000 1.220 260 G CA 0.029 44.760 45.100 -0.616 0.000 1.382 260 G HN 0.464 nan 8.290 nan 0.000 0.682 261 K N 0.109 119.891 120.400 -1.030 0.000 2.163 261 K HA -0.157 4.051 4.320 -0.187 0.000 0.210 261 K C 1.399 177.763 176.600 -0.393 0.000 1.048 261 K CA 2.010 57.935 56.287 -0.603 0.000 0.928 261 K CB -0.571 31.599 32.500 -0.550 0.000 0.716 261 K HN 0.561 nan 8.250 nan 0.000 0.459 262 I N -3.027 117.319 120.570 -0.372 0.000 3.522 262 I HA 0.275 4.333 4.170 -0.187 0.000 0.292 262 I C 0.008 175.987 176.117 -0.231 0.000 1.147 262 I CA -1.226 59.910 61.300 -0.274 0.000 1.032 262 I CB 1.706 39.553 38.000 -0.254 0.000 1.337 262 I HN -0.186 nan 8.210 nan 0.000 0.496 263 T N -1.919 112.530 114.554 -0.174 0.000 2.902 263 T HA 0.436 4.674 4.350 -0.187 0.000 0.283 263 T C 0.587 175.266 174.700 -0.035 0.000 1.009 263 T CA -0.453 61.600 62.100 -0.078 0.000 1.051 263 T CB 1.095 69.903 68.868 -0.099 0.000 0.999 263 T HN 0.461 nan 8.240 nan 0.000 0.474 264 F N 1.604 121.481 119.950 -0.121 0.000 2.063 264 F HA -0.117 4.298 4.527 -0.187 0.000 0.298 264 F C 2.980 178.727 175.800 -0.088 0.000 1.105 264 F CA 2.019 59.965 58.000 -0.090 0.000 1.215 264 F CB -1.428 37.513 39.000 -0.098 0.000 0.972 264 F HN 0.816 nan 8.300 nan 0.000 0.483 265 A N -0.049 122.832 122.820 0.102 0.000 1.881 265 A HA -0.315 3.893 4.320 -0.187 0.000 0.219 265 A C 2.165 179.739 177.584 -0.017 0.000 1.215 265 A CA 2.412 54.452 52.037 0.004 0.000 0.648 265 A CB -1.075 17.851 19.000 -0.124 0.000 0.832 265 A HN 0.528 nan 8.150 nan 0.000 0.455 266 E N -0.439 119.724 120.200 -0.061 0.000 2.047 266 E HA -0.186 4.052 4.350 -0.187 0.000 0.191 266 E C 2.150 178.713 176.600 -0.063 0.000 0.987 266 E CA 1.300 57.654 56.400 -0.077 0.000 0.799 266 E CB -0.202 29.424 29.700 -0.123 0.000 0.752 266 E HN 0.614 nan 8.360 nan 0.000 0.449 267 K N 0.617 120.973 120.400 -0.073 0.000 2.034 267 K HA -0.190 4.018 4.320 -0.187 0.000 0.214 267 K C 2.288 178.878 176.600 -0.016 0.000 1.051 267 K CA 1.762 58.008 56.287 -0.068 0.000 0.931 267 K CB -0.417 32.018 32.500 -0.109 0.000 0.715 267 K HN 0.007 nan 8.250 nan 0.000 0.446 268 V N 1.496 121.420 119.914 0.017 0.000 2.261 268 V HA -0.287 3.721 4.120 -0.187 0.000 0.246 268 V C 2.483 178.596 176.094 0.031 0.000 1.047 268 V CA 2.025 64.350 62.300 0.041 0.000 1.015 268 V CB -1.004 30.861 31.823 0.070 0.000 0.642 268 V HN 0.408 nan 8.190 nan 0.000 0.446 269 A N 1.026 123.859 122.820 0.021 0.000 1.896 269 A HA -0.329 3.879 4.320 -0.187 0.000 0.220 269 A C 2.090 179.681 177.584 0.012 0.000 1.206 269 A CA 2.553 54.600 52.037 0.016 0.000 0.647 269 A CB -0.879 18.122 19.000 0.001 0.000 0.828 269 A HN 0.653 nan 8.150 nan 0.000 0.455 270 N N 0.292 118.990 118.700 -0.003 0.000 2.084 270 N HA -0.131 4.497 4.740 -0.187 0.000 0.190 270 N C 2.003 177.522 175.510 0.015 0.000 1.030 270 N CA 1.639 54.688 53.050 -0.002 0.000 0.849 270 N CB -0.809 37.665 38.487 -0.022 0.000 1.012 270 N HN 0.503 nan 8.380 nan 0.000 0.423 271 A N 1.421 124.254 122.820 0.021 0.000 1.884 271 A HA -0.253 3.955 4.320 -0.187 0.000 0.219 271 A C 2.159 179.766 177.584 0.037 0.000 1.197 271 A CA 2.044 54.102 52.037 0.035 0.000 0.637 271 A CB -0.801 18.224 19.000 0.043 0.000 0.827 271 A HN 0.499 nan 8.150 nan 0.000 0.450 272 E N 0.048 120.270 120.200 0.037 0.000 2.208 272 E HA -0.132 4.106 4.350 -0.187 0.000 0.193 272 E C 2.033 178.653 176.600 0.033 0.000 0.988 272 E CA 1.163 57.586 56.400 0.038 0.000 0.828 272 E CB -0.110 29.615 29.700 0.042 0.000 0.763 272 E HN 0.765 nan 8.360 nan 0.000 0.478 273 S N 0.109 115.826 115.700 0.028 0.000 2.447 273 S HA -0.060 4.298 4.470 -0.187 0.000 0.233 273 S C 1.537 176.153 174.600 0.026 0.000 1.006 273 S CA 0.401 58.617 58.200 0.025 0.000 0.957 273 S CB 0.075 63.286 63.200 0.020 0.000 0.773 273 S HN 0.226 nan 8.310 nan 0.000 0.507 274 L N 1.753 122.993 121.223 0.028 0.000 2.653 274 L HA 0.373 4.601 4.340 -0.187 0.000 0.231 274 L C 0.349 177.237 176.870 0.030 0.000 1.153 274 L CA 0.322 55.179 54.840 0.029 0.000 0.933 274 L CB -2.088 39.991 42.059 0.033 0.000 1.175 274 L HN 0.437 nan 8.230 nan 0.000 0.473 275 N N -0.683 118.036 118.700 0.031 0.000 2.776 275 N HA -0.175 4.453 4.740 -0.187 0.000 0.250 275 N C 0.603 176.133 175.510 0.034 0.000 1.112 275 N CA 0.416 53.485 53.050 0.031 0.000 0.733 275 N CB -0.454 38.049 38.487 0.027 0.000 1.097 275 N HN 0.455 nan 8.380 nan 0.000 0.558 276 A N 0.259 123.102 122.820 0.039 0.000 2.250 276 A HA 0.776 4.984 4.320 -0.187 0.000 0.283 276 A C 0.196 177.807 177.584 0.045 0.000 1.206 276 A CA 0.105 52.169 52.037 0.045 0.000 0.840 276 A CB 0.389 19.421 19.000 0.052 0.000 1.220 276 A HN 0.297 nan 8.150 nan 0.000 0.505 277 I N -3.336 117.264 120.570 0.049 0.000 2.692 277 I HA 0.667 4.725 4.170 -0.187 0.000 0.293 277 I C 0.189 176.339 176.117 0.054 0.000 1.200 277 I CA 0.047 61.376 61.300 0.049 0.000 1.036 277 I CB 0.999 39.025 38.000 0.043 0.000 1.258 277 I HN 1.683 nan 8.210 nan 0.000 0.421 278 G N 2.757 111.590 108.800 0.055 0.000 2.892 278 G HA2 0.236 4.084 3.960 -0.187 0.000 0.686 278 G HA3 0.236 4.084 3.960 -0.187 0.000 0.686 278 G C -1.036 173.905 174.900 0.067 0.000 1.244 278 G CA -0.372 44.763 45.100 0.059 0.000 0.947 278 G HN 1.073 nan 8.290 nan 0.000 0.584 279 V N 3.737 123.694 119.914 0.071 0.000 2.733 279 V HA 0.630 4.638 4.120 -0.187 0.000 0.306 279 V C -0.166 175.980 176.094 0.086 0.000 1.084 279 V CA -1.165 61.184 62.300 0.082 0.000 0.905 279 V CB 1.886 33.755 31.823 0.077 0.000 1.010 279 V HN 0.822 nan 8.190 nan 0.000 0.424 280 L N 5.177 126.464 121.223 0.106 0.000 2.329 280 L HA 0.664 4.892 4.340 -0.187 0.000 0.279 280 L C -0.701 176.256 176.870 0.145 0.000 1.014 280 L CA -0.464 54.444 54.840 0.114 0.000 0.814 280 L CB 1.644 43.773 42.059 0.116 0.000 1.257 280 L HN 0.494 nan 8.230 nan 0.000 0.424 281 I N 4.215 124.870 120.570 0.141 0.000 2.418 281 I HA 0.409 4.467 4.170 -0.187 0.000 0.287 281 I C -0.435 175.898 176.117 0.360 0.000 1.008 281 I CA -0.479 60.913 61.300 0.153 0.000 1.104 281 I CB 1.519 39.593 38.000 0.124 0.000 1.264 281 I HN 0.455 nan 8.210 nan 0.000 0.438 282 Y N 4.439 124.919 120.300 0.299 0.000 2.570 282 Y HA 0.805 5.243 4.550 -0.186 0.000 0.345 282 Y C -1.017 174.948 175.900 0.108 0.000 1.014 282 Y CA -1.802 56.494 58.100 0.326 0.000 1.063 282 Y CB 1.456 40.021 38.460 0.176 0.000 1.272 282 Y HN 0.342 nan 8.280 nan 0.000 0.477 283 M N 4.261 123.929 119.600 0.113 0.000 2.289 283 M HA 0.205 4.573 4.480 -0.187 0.000 0.354 283 M C -0.934 175.557 176.300 0.319 0.000 1.210 283 M CA -0.567 54.551 55.300 -0.304 0.000 1.174 283 M CB -0.036 31.975 32.600 -0.983 0.000 1.297 283 M HN 0.848 nan 8.290 nan 0.000 0.423 284 D N 0.771 121.497 120.400 0.542 0.000 2.346 284 D HA -0.113 4.415 4.640 -0.187 0.000 0.236 284 D C 0.819 177.365 176.300 0.410 0.000 1.259 284 D CA 0.024 54.378 54.000 0.590 0.000 0.898 284 D CB 0.911 42.040 40.800 0.549 0.000 1.178 284 D HN 0.610 nan 8.370 nan 0.000 0.457 285 Q N -0.737 119.236 119.800 0.288 0.000 2.083 285 Q HA -0.158 4.070 4.340 -0.187 0.000 0.198 285 Q C 1.967 178.060 176.000 0.156 0.000 0.969 285 Q CA 1.874 57.799 55.803 0.203 0.000 0.838 285 Q CB -0.230 28.595 28.738 0.144 0.000 0.900 285 Q HN 0.798 nan 8.270 nan 0.000 0.436 286 T N -0.628 114.005 114.554 0.132 0.000 2.674 286 T HA -0.129 4.109 4.350 -0.187 0.000 0.265 286 T C 1.889 176.607 174.700 0.030 0.000 1.039 286 T CA 1.017 63.160 62.100 0.071 0.000 1.150 286 T CB -0.216 68.686 68.868 0.057 0.000 0.864 286 T HN 0.018 nan 8.240 nan 0.000 0.427 287 K N 0.690 121.119 120.400 0.048 0.000 2.103 287 K HA 0.135 4.343 4.320 -0.187 0.000 0.204 287 K C -0.070 176.246 176.600 -0.473 0.000 1.052 287 K CA 0.659 56.855 56.287 -0.152 0.000 0.945 287 K CB -0.241 32.258 32.500 -0.002 0.000 0.722 287 K HN 0.516 nan 8.250 nan 0.000 0.443 288 F N 1.193 121.173 119.950 0.051 0.000 2.451 288 F HA 0.292 4.707 4.527 -0.187 0.000 0.367 288 F C -2.129 173.694 175.800 0.039 0.000 1.100 288 F CA -2.421 55.592 58.000 0.021 0.000 1.171 288 F CB 1.484 40.489 39.000 0.008 0.000 1.405 288 F HN -0.179 nan 8.300 nan 0.000 0.482 289 P HA 0.063 nan 4.420 nan 0.000 0.246 289 P C -0.268 177.102 177.300 0.117 0.000 1.675 289 P CA 0.591 63.740 63.100 0.082 0.000 0.908 289 P CB -0.344 31.364 31.700 0.013 0.000 1.890 290 I N -0.446 120.234 120.570 0.184 0.000 2.342 290 I HA 0.061 4.119 4.170 -0.187 0.000 0.291 290 I C 1.860 178.069 176.117 0.153 0.000 1.010 290 I CA -0.434 61.001 61.300 0.224 0.000 1.308 290 I CB 1.727 39.889 38.000 0.269 0.000 1.400 290 I HN -0.072 nan 8.210 nan 0.000 0.488 291 V N 5.983 125.975 119.914 0.129 0.000 2.287 291 V HA -0.242 3.766 4.120 -0.187 0.000 0.248 291 V C 1.198 177.338 176.094 0.076 0.000 1.053 291 V CA 1.972 64.324 62.300 0.087 0.000 1.027 291 V CB -0.301 31.562 31.823 0.068 0.000 0.646 291 V HN 0.948 nan 8.190 nan 0.000 0.447 292 N N 0.105 118.848 118.700 0.071 0.000 2.470 292 N HA 0.332 4.960 4.740 -0.187 0.000 0.268 292 N C 0.170 175.731 175.510 0.084 0.000 1.136 292 N CA 0.761 53.848 53.050 0.062 0.000 0.961 292 N CB 1.332 39.843 38.487 0.040 0.000 1.067 292 N HN 0.376 nan 8.380 nan 0.000 0.468 293 A N 3.491 126.357 122.820 0.077 0.000 2.390 293 A HA 0.168 4.376 4.320 -0.187 0.000 0.232 293 A C 0.810 178.447 177.584 0.087 0.000 1.233 293 A CA -0.062 52.028 52.037 0.087 0.000 0.907 293 A CB 0.078 19.120 19.000 0.071 0.000 0.967 293 A HN 0.685 nan 8.150 nan 0.000 0.512 294 E N -0.312 119.938 120.200 0.082 0.000 2.451 294 E HA 0.127 4.365 4.350 -0.187 0.000 0.194 294 E C -0.663 176.004 176.600 0.112 0.000 1.027 294 E CA -0.141 56.311 56.400 0.086 0.000 0.914 294 E CB 0.296 30.036 29.700 0.067 0.000 1.054 294 E HN 0.442 nan 8.360 nan 0.000 0.461 295 L N 1.747 123.050 121.223 0.134 0.000 2.312 295 L HA 0.193 4.421 4.340 -0.187 0.000 0.281 295 L C -0.077 176.950 176.870 0.261 0.000 1.070 295 L CA -0.304 54.641 54.840 0.174 0.000 0.805 295 L CB 1.237 43.388 42.059 0.154 0.000 1.174 295 L HN -0.138 nan 8.230 nan 0.000 0.434 296 S N 3.872 119.756 115.700 0.306 0.000 2.532 296 S HA 0.830 5.188 4.470 -0.187 0.000 0.301 296 S C -0.581 174.303 174.600 0.474 0.000 1.083 296 S CA -0.720 57.695 58.200 0.358 0.000 1.025 296 S CB 1.407 64.749 63.200 0.237 0.000 1.056 296 S HN 0.482 nan 8.310 nan 0.000 0.494 297 F N -0.356 119.648 119.950 0.090 0.000 2.598 297 F HA 0.846 5.261 4.527 -0.187 0.000 0.327 297 F C -0.871 174.717 175.800 -0.353 0.000 1.057 297 F CA -2.405 55.589 58.000 -0.011 0.000 0.957 297 F CB 0.420 39.433 39.000 0.022 0.000 1.278 297 F HN 0.564 nan 8.300 nan 0.000 0.484 298 F N 1.211 120.725 119.950 -0.726 0.000 2.394 298 F HA 0.804 5.219 4.527 -0.187 0.000 0.340 298 F C 0.069 175.330 175.800 -0.898 0.000 1.105 298 F CA -0.933 56.329 58.000 -1.231 0.000 1.124 298 F CB 1.136 39.108 39.000 -1.714 0.000 1.145 298 F HN 0.811 nan 8.300 nan 0.000 0.505 299 G N 3.447 111.106 108.800 -1.903 0.000 2.644 299 G HA2 0.279 4.127 3.960 -0.187 0.000 0.307 299 G HA3 0.279 4.127 3.960 -0.187 0.000 0.307 299 G C -0.763 173.019 174.900 -1.863 0.000 1.250 299 G CA -0.249 43.710 45.100 -1.901 0.000 0.996 299 G HN 0.759 nan 8.290 nan 0.000 0.489 300 H N -0.470 117.844 119.070 -1.259 0.000 2.570 300 H HA 0.389 4.833 4.556 -0.187 0.000 0.268 300 H C 1.883 177.063 175.328 -0.248 0.000 1.175 300 H CA 1.774 57.425 56.048 -0.662 0.000 1.686 300 H CB 0.636 30.141 29.762 -0.428 0.000 1.456 300 H HN 1.150 nan 8.280 nan 0.000 0.592 301 A N 0.214 123.145 122.820 0.185 0.000 3.526 301 A HA -0.224 3.984 4.320 -0.187 0.000 0.254 301 A C 0.566 178.308 177.584 0.262 0.000 1.109 301 A CA 1.162 53.316 52.037 0.195 0.000 1.395 301 A CB -2.983 16.103 19.000 0.144 0.000 1.057 301 A HN 0.773 nan 8.150 nan 0.000 0.901 302 H N -0.241 118.975 119.070 0.244 0.000 2.652 302 H HA 0.470 4.914 4.556 -0.187 0.000 0.298 302 H C 0.188 175.439 175.328 -0.128 0.000 1.076 302 H CA -0.497 55.555 56.048 0.008 0.000 1.360 302 H CB 0.562 30.311 29.762 -0.022 0.000 1.421 302 H HN 0.449 nan 8.280 nan 0.000 0.464 303 L N 6.677 127.851 121.223 -0.081 0.000 2.650 303 L HA 0.240 4.468 4.340 -0.187 0.000 0.239 303 L C 0.219 176.870 176.870 -0.365 0.000 1.412 303 L CA 0.734 55.462 54.840 -0.187 0.000 1.219 303 L CB -0.842 41.192 42.059 -0.041 0.000 1.534 303 L HN 0.872 nan 8.230 nan 0.000 0.430 304 G N -1.013 107.324 108.800 -0.773 0.000 2.500 304 G HA2 0.387 4.235 3.960 -0.187 0.000 0.299 304 G HA3 0.387 4.235 3.960 -0.187 0.000 0.299 304 G C -1.196 173.453 174.900 -0.418 0.000 1.242 304 G CA -0.028 44.712 45.100 -0.599 0.000 0.859 304 G HN 0.056 nan 8.290 nan 0.000 0.481 305 T N -0.793 113.695 114.554 -0.111 0.000 2.937 305 T HA 0.697 4.935 4.350 -0.187 0.000 0.297 305 T C 0.248 174.987 174.700 0.064 0.000 0.991 305 T CA 1.450 63.598 62.100 0.081 0.000 0.990 305 T CB 0.464 69.493 68.868 0.268 0.000 0.991 305 T HN 2.601 nan 8.240 nan 0.000 0.440 306 G N 3.927 112.813 108.800 0.144 0.000 2.728 306 G HA2 -0.094 3.754 3.960 -0.187 0.000 0.294 306 G HA3 -0.094 3.754 3.960 -0.187 0.000 0.294 306 G C -0.512 174.406 174.900 0.031 0.000 1.342 306 G CA -0.308 44.835 45.100 0.071 0.000 0.866 306 G HN 0.945 nan 8.290 nan 0.000 0.534 307 D N 1.100 121.477 120.400 -0.038 0.000 2.581 307 D HA 0.086 4.614 4.640 -0.187 0.000 0.238 307 D C -0.574 175.517 176.300 -0.349 0.000 1.145 307 D CA -0.090 53.842 54.000 -0.113 0.000 0.866 307 D CB 0.950 41.751 40.800 0.003 0.000 1.151 307 D HN 0.203 nan 8.370 nan 0.000 0.500 308 P HA -0.027 nan 4.420 nan 0.000 0.258 308 P C -0.319 176.384 177.300 -0.995 0.000 1.403 308 P CA 0.427 62.856 63.100 -1.118 0.000 0.826 308 P CB -0.451 30.186 31.700 -1.772 0.000 1.414 309 Y N -1.704 118.538 120.300 -0.096 0.000 2.610 309 Y HA 0.175 4.613 4.550 -0.187 0.000 0.254 309 Y C 1.324 177.253 175.900 0.048 0.000 1.110 309 Y CA -0.207 57.893 58.100 0.000 0.000 1.238 309 Y CB 0.502 38.973 38.460 0.018 0.000 1.322 309 Y HN -0.037 nan 8.280 nan 0.000 0.547 310 T N 0.610 115.092 114.554 -0.120 0.000 3.532 310 T HA 0.285 4.523 4.350 -0.187 0.000 0.241 310 T C -3.074 171.157 174.700 -0.782 0.000 1.238 310 T CA -2.282 59.436 62.100 -0.637 0.000 1.405 310 T CB 0.210 68.844 68.868 -0.390 0.000 0.971 310 T HN -0.151 nan 8.240 nan 0.000 0.640 311 P HA 0.327 nan 4.420 nan 0.000 0.267 311 P C 1.129 178.308 177.300 -0.201 0.000 1.328 311 P CA 0.848 63.763 63.100 -0.309 0.000 0.990 311 P CB 0.187 31.822 31.700 -0.108 0.000 1.168 312 G N 3.754 112.410 108.800 -0.239 0.000 2.308 312 G HA2 -0.244 3.604 3.960 -0.187 0.000 0.221 312 G HA3 -0.244 3.604 3.960 -0.187 0.000 0.221 312 G C -0.186 174.789 174.900 0.124 0.000 1.032 312 G CA 0.054 45.186 45.100 0.052 0.000 0.623 312 G HN 0.565 nan 8.290 nan 0.000 0.506 313 F N 0.496 120.436 119.950 -0.017 0.000 2.508 313 F HA 0.867 5.282 4.527 -0.188 0.000 0.325 313 F C -2.654 173.085 175.800 -0.102 0.000 1.090 313 F CA -3.395 54.574 58.000 -0.053 0.000 0.945 313 F CB 1.140 40.107 39.000 -0.054 0.000 1.156 313 F HN -0.052 nan 8.300 nan 0.000 0.463 314 P HA 0.123 nan 4.420 nan 0.000 0.270 314 P C -0.535 176.566 177.300 -0.330 0.000 1.227 314 P CA -0.127 62.855 63.100 -0.196 0.000 0.788 314 P CB 0.791 32.410 31.700 -0.135 0.000 0.926 315 S N 0.383 115.944 115.700 -0.231 0.000 2.707 315 S HA 0.611 4.969 4.470 -0.187 0.000 0.276 315 S C -0.236 174.197 174.600 -0.278 0.000 1.179 315 S CA -0.103 58.044 58.200 -0.089 0.000 0.992 315 S CB 0.259 63.548 63.200 0.149 0.000 1.030 315 S HN 0.269 nan 8.310 nan 0.000 0.554 316 F N -0.062 120.032 119.950 0.239 0.000 3.162 316 F HA 0.484 4.900 4.527 -0.186 0.000 0.171 316 F C 1.015 176.908 175.800 0.157 0.000 1.616 316 F CA -1.124 56.985 58.000 0.183 0.000 0.939 316 F CB -0.272 38.807 39.000 0.131 0.000 1.924 316 F HN 0.504 nan 8.300 nan 0.000 0.267 317 N N -1.054 117.844 118.700 0.330 0.000 2.538 317 N HA 0.082 4.710 4.740 -0.187 0.000 0.292 317 N C 0.484 176.118 175.510 0.206 0.000 1.262 317 N CA -0.420 52.692 53.050 0.103 0.000 0.976 317 N CB 0.811 39.302 38.487 0.006 0.000 1.161 317 N HN 0.438 nan 8.380 nan 0.000 0.598 318 H N 0.037 119.139 119.070 0.054 0.000 2.451 318 H HA -0.021 4.423 4.556 -0.187 0.000 0.294 318 H C 1.679 177.019 175.328 0.020 0.000 1.028 318 H CA 1.791 57.871 56.048 0.054 0.000 1.349 318 H CB -0.223 29.558 29.762 0.031 0.000 1.444 318 H HN 0.718 nan 8.280 nan 0.000 0.538 319 T N -1.288 113.418 114.554 0.254 0.000 2.778 319 T HA -0.186 4.052 4.350 -0.187 0.000 0.269 319 T C 1.145 175.895 174.700 0.083 0.000 1.050 319 T CA 1.096 63.286 62.100 0.151 0.000 1.137 319 T CB -0.068 68.831 68.868 0.051 0.000 0.860 319 T HN 0.382 nan 8.240 nan 0.000 0.468 320 Q N -0.545 119.295 119.800 0.067 0.000 2.312 320 Q HA 0.442 4.670 4.340 -0.187 0.000 0.263 320 Q C -1.197 174.855 176.000 0.087 0.000 0.995 320 Q CA -1.154 54.660 55.803 0.018 0.000 0.853 320 Q CB 0.634 29.344 28.738 -0.047 0.000 1.300 320 Q HN 0.306 nan 8.270 nan 0.000 0.448 321 F N 4.803 124.660 119.950 -0.156 0.000 2.457 321 F HA -0.138 4.277 4.527 -0.185 0.000 0.290 321 F C -2.258 173.490 175.800 -0.086 0.000 1.058 321 F CA 0.472 58.409 58.000 -0.105 0.000 1.051 321 F CB 0.183 39.124 39.000 -0.097 0.000 1.331 321 F HN 0.535 nan 8.300 nan 0.000 0.814 322 P HA 0.311 nan 4.420 nan 0.000 0.279 322 P C -2.250 174.736 177.300 -0.523 0.000 1.819 322 P CA -0.903 61.884 63.100 -0.522 0.000 1.258 322 P CB 0.385 31.717 31.700 -0.612 0.000 1.656 323 P HA -0.010 nan 4.420 nan 0.000 0.267 323 P C 1.442 178.470 177.300 -0.454 0.000 1.195 323 P CA 0.505 63.355 63.100 -0.418 0.000 0.773 323 P CB 0.577 32.047 31.700 -0.383 0.000 0.837 324 S N 1.169 116.699 115.700 -0.283 0.000 2.325 324 S HA -0.028 4.330 4.470 -0.187 0.000 0.213 324 S C 0.943 175.424 174.600 -0.198 0.000 1.031 324 S CA 1.025 59.080 58.200 -0.241 0.000 0.984 324 S CB -0.112 63.035 63.200 -0.090 0.000 0.939 324 S HN 0.664 nan 8.310 nan 0.000 0.438 325 R N -1.711 118.835 120.500 0.076 0.000 4.463 325 R HA 0.242 4.470 4.340 -0.187 0.000 0.244 325 R C 0.215 176.645 176.300 0.216 0.000 0.918 325 R CA 0.515 56.854 56.100 0.399 0.000 0.668 325 R CB -0.813 29.727 30.300 0.401 0.000 1.969 325 R HN 0.374 nan 8.270 nan 0.000 0.368 326 S N -0.771 115.028 115.700 0.166 0.000 3.011 326 S HA -0.146 4.212 4.470 -0.187 0.000 0.278 326 S C 0.018 174.666 174.600 0.080 0.000 1.300 326 S CA 1.435 59.696 58.200 0.101 0.000 1.248 326 S CB -1.274 61.976 63.200 0.083 0.000 1.517 326 S HN 0.588 nan 8.310 nan 0.000 0.685 327 S N 1.141 116.890 115.700 0.081 0.000 3.811 327 S HA 0.462 4.820 4.470 -0.187 0.000 0.205 327 S C 1.210 175.823 174.600 0.021 0.000 1.445 327 S CA 0.410 58.645 58.200 0.058 0.000 1.097 327 S CB 0.020 63.270 63.200 0.084 0.000 1.350 327 S HN 1.422 nan 8.310 nan 0.000 0.471 328 G N 0.679 109.508 108.800 0.049 0.000 2.135 328 G HA2 -0.182 3.666 3.960 -0.187 0.000 0.183 328 G HA3 -0.182 3.666 3.960 -0.187 0.000 0.183 328 G C -0.402 174.563 174.900 0.108 0.000 1.004 328 G CA -0.687 44.462 45.100 0.082 0.000 0.677 328 G HN 0.471 nan 8.290 nan 0.000 0.512 329 L N -0.520 120.739 121.223 0.061 0.000 2.334 329 L HA 0.624 4.852 4.340 -0.187 0.000 0.276 329 L C -0.359 176.567 176.870 0.094 0.000 1.014 329 L CA -1.977 52.906 54.840 0.072 0.000 0.815 329 L CB 1.297 43.379 42.059 0.038 0.000 1.268 329 L HN -0.111 nan 8.230 nan 0.000 0.428 330 P HA -0.339 nan 4.420 nan 0.000 0.217 330 P C 0.528 177.878 177.300 0.082 0.000 0.937 330 P CA 2.210 65.367 63.100 0.096 0.000 1.028 330 P CB -0.010 31.757 31.700 0.111 0.000 0.735 331 N N -4.941 113.811 118.700 0.087 0.000 2.967 331 N HA -0.126 4.502 4.740 -0.187 0.000 0.241 331 N C -1.179 174.371 175.510 0.066 0.000 0.983 331 N CA 0.617 53.712 53.050 0.074 0.000 0.918 331 N CB -1.283 37.243 38.487 0.064 0.000 1.109 331 N HN 0.040 nan 8.380 nan 0.000 0.567 332 I N 0.801 121.413 120.570 0.071 0.000 2.610 332 I HA 0.374 4.432 4.170 -0.187 0.000 0.289 332 I C -2.328 173.831 176.117 0.069 0.000 1.163 332 I CA -1.885 59.453 61.300 0.064 0.000 1.044 332 I CB 1.823 39.859 38.000 0.060 0.000 1.251 332 I HN -0.098 nan 8.210 nan 0.000 0.424 333 P HA 0.086 nan 4.420 nan 0.000 0.264 333 P C -0.677 176.662 177.300 0.065 0.000 1.193 333 P CA 0.160 63.298 63.100 0.064 0.000 0.763 333 P CB 1.087 32.820 31.700 0.055 0.000 0.810 334 V N 4.201 124.154 119.914 0.065 0.000 2.483 334 V HA 0.372 4.380 4.120 -0.187 0.000 0.297 334 V C -0.067 176.050 176.094 0.039 0.000 1.027 334 V CA -0.386 61.951 62.300 0.062 0.000 0.855 334 V CB 1.567 33.435 31.823 0.074 0.000 0.995 334 V HN 0.487 nan 8.190 nan 0.000 0.424 335 Q N 2.370 122.190 119.800 0.033 0.000 2.323 335 Q HA 0.499 4.727 4.340 -0.187 0.000 0.271 335 Q C -0.487 175.489 176.000 -0.039 0.000 1.048 335 Q CA -0.168 55.634 55.803 -0.002 0.000 0.792 335 Q CB 2.161 30.908 28.738 0.015 0.000 1.280 335 Q HN 0.789 nan 8.270 nan 0.000 0.441 336 T N 3.517 117.975 114.554 -0.160 0.000 2.884 336 T HA 0.595 4.833 4.350 -0.187 0.000 0.298 336 T C -0.606 173.968 174.700 -0.209 0.000 0.998 336 T CA -0.081 61.808 62.100 -0.352 0.000 1.124 336 T CB 0.048 68.400 68.868 -0.861 0.000 0.931 336 T HN 0.489 nan 8.240 nan 0.000 0.531 337 I N 3.202 123.725 120.570 -0.077 0.000 2.608 337 I HA 0.380 4.438 4.170 -0.187 0.000 0.295 337 I C 0.138 176.369 176.117 0.190 0.000 1.049 337 I CA -0.322 61.010 61.300 0.053 0.000 1.063 337 I CB 2.171 40.214 38.000 0.072 0.000 1.248 337 I HN 0.605 nan 8.210 nan 0.000 0.424 338 S N 4.533 120.322 115.700 0.148 0.000 2.576 338 S HA 0.223 4.581 4.470 -0.187 0.000 0.276 338 S C 1.520 176.196 174.600 0.126 0.000 1.339 338 S CA -0.096 58.219 58.200 0.191 0.000 1.039 338 S CB 0.524 63.808 63.200 0.140 0.000 0.902 338 S HN 0.676 nan 8.310 nan 0.000 0.516 339 R N 3.358 123.946 120.500 0.147 0.000 2.113 339 R HA -0.201 4.027 4.340 -0.187 0.000 0.244 339 R C 2.244 178.527 176.300 -0.029 0.000 1.142 339 R CA 2.111 58.247 56.100 0.060 0.000 0.953 339 R CB -0.958 29.412 30.300 0.116 0.000 0.860 339 R HN 0.810 nan 8.270 nan 0.000 0.438 340 A N 0.576 123.407 122.820 0.019 0.000 1.873 340 A HA -0.225 3.983 4.320 -0.187 0.000 0.218 340 A C 2.425 179.984 177.584 -0.041 0.000 1.193 340 A CA 2.177 54.215 52.037 0.001 0.000 0.629 340 A CB -1.136 17.883 19.000 0.032 0.000 0.826 340 A HN 0.605 nan 8.150 nan 0.000 0.447 341 A N -0.423 122.378 122.820 -0.032 0.000 1.902 341 A HA 0.136 4.344 4.320 -0.187 0.000 0.217 341 A C 2.532 179.991 177.584 -0.209 0.000 1.181 341 A CA 2.297 54.297 52.037 -0.061 0.000 0.623 341 A CB -1.091 17.898 19.000 -0.018 0.000 0.818 341 A HN 1.182 nan 8.150 nan 0.000 0.443 342 A N -0.157 122.465 122.820 -0.329 0.000 1.883 342 A HA -0.197 4.011 4.320 -0.187 0.000 0.217 342 A C 1.913 179.009 177.584 -0.814 0.000 1.186 342 A CA 1.785 53.359 52.037 -0.771 0.000 0.624 342 A CB -0.547 17.809 19.000 -1.073 0.000 0.822 342 A HN 0.511 nan 8.150 nan 0.000 0.444 343 E N 0.273 120.260 120.200 -0.355 0.000 2.068 343 E HA -0.275 3.963 4.350 -0.187 0.000 0.207 343 E C 1.944 178.479 176.600 -0.108 0.000 1.032 343 E CA 1.961 58.298 56.400 -0.105 0.000 0.839 343 E CB -0.501 29.180 29.700 -0.032 0.000 0.758 343 E HN 0.670 nan 8.360 nan 0.000 0.457 344 K N 0.382 120.713 120.400 -0.116 0.000 2.074 344 K HA -0.128 4.080 4.320 -0.187 0.000 0.209 344 K C 2.245 178.791 176.600 -0.091 0.000 1.048 344 K CA 0.871 57.119 56.287 -0.065 0.000 0.926 344 K CB -0.193 32.294 32.500 -0.021 0.000 0.713 344 K HN 0.021 nan 8.250 nan 0.000 0.444 345 L N 0.065 121.153 121.223 -0.224 0.000 1.989 345 L HA -0.186 4.042 4.340 -0.187 0.000 0.211 345 L C 2.232 179.040 176.870 -0.103 0.000 1.071 345 L CA 1.906 56.614 54.840 -0.221 0.000 0.749 345 L CB -1.116 40.704 42.059 -0.400 0.000 0.890 345 L HN 0.235 nan 8.230 nan 0.000 0.431 346 F N -0.081 119.824 119.950 -0.076 0.000 2.202 346 F HA -0.188 4.227 4.527 -0.187 0.000 0.301 346 F C 2.481 178.261 175.800 -0.033 0.000 1.082 346 F CA 0.529 58.488 58.000 -0.067 0.000 1.313 346 F CB -0.740 38.196 39.000 -0.107 0.000 1.024 346 F HN 0.216 nan 8.300 nan 0.000 0.495 347 G N -0.073 108.807 108.800 0.133 0.000 2.462 347 G HA2 -0.259 3.589 3.960 -0.187 0.000 0.220 347 G HA3 -0.259 3.589 3.960 -0.187 0.000 0.220 347 G C 0.821 175.760 174.900 0.064 0.000 1.121 347 G CA 0.671 45.818 45.100 0.078 0.000 0.758 347 G HN 0.415 nan 8.290 nan 0.000 0.559 348 N N 0.232 118.969 118.700 0.061 0.000 2.546 348 N HA 0.364 4.992 4.740 -0.187 0.000 0.286 348 N C -0.716 174.837 175.510 0.072 0.000 1.259 348 N CA -0.122 52.961 53.050 0.054 0.000 0.939 348 N CB 0.369 38.880 38.487 0.039 0.000 1.243 348 N HN 0.238 nan 8.380 nan 0.000 0.511 349 M N -0.152 119.503 119.600 0.092 0.000 2.326 349 M HA 0.188 4.556 4.480 -0.187 0.000 0.292 349 M C 0.781 177.128 176.300 0.078 0.000 1.081 349 M CA -0.466 54.897 55.300 0.104 0.000 0.919 349 M CB 3.048 35.747 32.600 0.165 0.000 1.634 349 M HN 0.010 nan 8.290 nan 0.000 0.451 350 E N 2.260 122.500 120.200 0.066 0.000 2.033 350 E HA 0.066 4.304 4.350 -0.187 0.000 0.189 350 E C 1.013 177.636 176.600 0.039 0.000 0.979 350 E CA 0.648 57.076 56.400 0.047 0.000 0.802 350 E CB 0.191 29.917 29.700 0.044 0.000 0.763 350 E HN 0.920 nan 8.360 nan 0.000 0.449 351 G N 0.599 109.430 108.800 0.053 0.000 2.825 351 G HA2 -0.081 3.767 3.960 -0.187 0.000 0.241 351 G HA3 -0.081 3.767 3.960 -0.187 0.000 0.241 351 G C -0.662 174.241 174.900 0.006 0.000 1.239 351 G CA 0.119 45.243 45.100 0.039 0.000 0.859 351 G HN 0.284 nan 8.290 nan 0.000 0.598 352 D N -1.450 118.932 120.400 -0.029 0.000 2.629 352 D HA 0.286 4.814 4.640 -0.187 0.000 0.250 352 D C -0.234 175.999 176.300 -0.111 0.000 1.126 352 D CA -0.566 53.393 54.000 -0.068 0.000 0.852 352 D CB 1.260 42.015 40.800 -0.075 0.000 1.335 352 D HN 0.396 nan 8.370 nan 0.000 0.518 353 c N 5.087 123.614 118.600 -0.121 0.000 2.590 353 c HA 0.241 4.699 4.570 -0.187 0.000 0.411 353 c C -1.763 172.167 174.090 -0.266 0.000 1.420 353 c CA -0.734 55.501 56.329 -0.156 0.000 1.643 353 c CB -0.584 41.870 42.510 -0.093 0.000 2.528 353 c HN 0.554 nan 8.230 nan 0.000 0.606 354 P HA 0.129 nan 4.420 nan 0.000 0.272 354 P C 0.343 177.407 177.300 -0.393 0.000 1.240 354 P CA 0.034 62.791 63.100 -0.572 0.000 0.791 354 P CB 0.594 31.680 31.700 -1.024 0.000 0.978 355 S N -0.401 115.133 115.700 -0.277 0.000 2.501 355 S HA -0.090 4.268 4.470 -0.187 0.000 0.220 355 S C 1.518 176.058 174.600 -0.100 0.000 0.997 355 S CA 0.454 58.569 58.200 -0.142 0.000 0.919 355 S CB -0.729 62.407 63.200 -0.108 0.000 0.778 355 S HN 0.444 nan 8.310 nan 0.000 0.523 356 D N 0.802 121.089 120.400 -0.187 0.000 2.116 356 D HA -0.137 4.391 4.640 -0.187 0.000 0.193 356 D C -0.045 176.371 176.300 0.193 0.000 0.998 356 D CA 0.696 54.664 54.000 -0.054 0.000 0.836 356 D CB -0.145 40.536 40.800 -0.198 0.000 0.951 356 D HN 0.567 nan 8.370 nan 0.000 0.449 357 W N 1.769 122.938 121.300 -0.218 0.000 2.591 357 W HA 0.056 4.604 4.660 -0.186 0.000 0.330 357 W C 0.634 177.039 176.519 -0.190 0.000 1.435 357 W CA -1.048 56.132 57.345 -0.275 0.000 1.350 357 W CB 0.156 29.446 29.460 -0.285 0.000 1.434 357 W HN -0.171 nan 8.180 nan 0.000 0.553 358 K N 3.349 123.787 120.400 0.063 0.000 2.360 358 K HA 0.054 4.262 4.320 -0.187 0.000 0.225 358 K C 0.360 176.959 176.600 -0.001 0.000 1.246 358 K CA 0.270 56.576 56.287 0.031 0.000 1.198 358 K CB -0.224 32.303 32.500 0.044 0.000 1.348 358 K HN 0.327 nan 8.250 nan 0.000 0.232 359 T N -0.827 113.740 114.554 0.022 0.000 2.572 359 T HA 0.331 4.569 4.350 -0.187 0.000 0.244 359 T C -0.916 173.801 174.700 0.029 0.000 0.860 359 T CA -0.736 61.376 62.100 0.021 0.000 1.125 359 T CB 1.105 70.002 68.868 0.049 0.000 1.491 359 T HN 0.165 nan 8.240 nan 0.000 0.532 360 D N -0.007 120.414 120.400 0.036 0.000 2.661 360 D HA 0.470 4.998 4.640 -0.187 0.000 0.228 360 D C -0.262 176.042 176.300 0.006 0.000 1.210 360 D CA -0.263 53.748 54.000 0.020 0.000 0.826 360 D CB 1.832 42.649 40.800 0.028 0.000 1.542 360 D HN 0.621 nan 8.370 nan 0.000 0.447 361 S N 0.645 116.336 115.700 -0.014 0.000 2.545 361 S HA 0.049 4.407 4.470 -0.187 0.000 0.268 361 S C 0.649 175.223 174.600 -0.043 0.000 1.369 361 S CA 1.222 59.401 58.200 -0.035 0.000 1.001 361 S CB 0.207 63.392 63.200 -0.026 0.000 0.838 361 S HN 0.773 nan 8.310 nan 0.000 0.520 362 T N -1.865 112.646 114.554 -0.072 0.000 8.460 362 T HA -0.210 4.028 4.350 -0.187 0.000 0.312 362 T C 0.619 175.182 174.700 -0.229 0.000 2.053 362 T CA 0.679 62.735 62.100 -0.073 0.000 3.457 362 T CB -2.474 66.395 68.868 0.001 0.000 1.500 362 T HN 1.718 nan 8.240 nan 0.000 0.559 363 c N 4.565 122.868 118.600 -0.495 0.000 2.520 363 c HA 0.898 5.356 4.570 -0.187 0.000 0.376 363 c C 1.072 174.811 174.090 -0.584 0.000 1.268 363 c CA -1.055 54.550 56.329 -1.206 0.000 2.414 363 c CB 0.573 42.135 42.510 -1.580 0.000 2.521 363 c HN 0.505 nan 8.230 nan 0.000 0.618 364 R N 1.470 121.663 120.500 -0.512 0.000 2.917 364 R HA 0.557 4.785 4.340 -0.187 0.000 0.220 364 R C 0.236 176.567 176.300 0.051 0.000 1.485 364 R CA -0.804 55.238 56.100 -0.096 0.000 1.037 364 R CB 0.154 30.487 30.300 0.055 0.000 1.929 364 R HN 0.707 nan 8.270 nan 0.000 0.526 365 M N -0.740 118.938 119.600 0.130 0.000 2.532 365 M HA 0.250 4.618 4.480 -0.187 0.000 0.244 365 M C -0.521 175.915 176.300 0.228 0.000 1.390 365 M CA 0.579 56.007 55.300 0.214 0.000 1.132 365 M CB 1.033 33.712 32.600 0.132 0.000 1.466 365 M HN 0.182 nan 8.290 nan 0.000 0.550 366 V N 0.026 120.042 119.914 0.171 0.000 2.971 366 V HA 0.473 4.481 4.120 -0.187 0.000 0.309 366 V C -0.190 175.984 176.094 0.133 0.000 1.130 366 V CA -1.212 61.181 62.300 0.154 0.000 0.964 366 V CB 1.786 33.684 31.823 0.124 0.000 1.029 366 V HN 0.422 nan 8.190 nan 0.000 0.427 367 T N 0.397 115.024 114.554 0.121 0.000 2.900 367 T HA 0.248 4.486 4.350 -0.187 0.000 0.307 367 T C 0.436 175.183 174.700 0.077 0.000 1.065 367 T CA -0.078 62.081 62.100 0.098 0.000 1.105 367 T CB 0.643 69.558 68.868 0.079 0.000 0.979 367 T HN 1.066 nan 8.240 nan 0.000 0.544 368 S N 1.655 117.394 115.700 0.066 0.000 2.498 368 S HA 0.067 4.425 4.470 -0.187 0.000 0.281 368 S C 1.222 175.850 174.600 0.047 0.000 1.265 368 S CA -0.687 57.544 58.200 0.053 0.000 1.071 368 S CB 0.816 64.043 63.200 0.045 0.000 0.894 368 S HN 0.834 nan 8.310 nan 0.000 0.491 369 E N 3.726 123.953 120.200 0.045 0.000 2.172 369 E HA -0.341 3.897 4.350 -0.187 0.000 0.213 369 E C 2.034 178.655 176.600 0.035 0.000 1.051 369 E CA 2.336 58.760 56.400 0.040 0.000 0.860 369 E CB -0.830 28.893 29.700 0.037 0.000 0.755 369 E HN 0.971 nan 8.360 nan 0.000 0.462 370 S N 0.246 115.965 115.700 0.032 0.000 2.421 370 S HA -0.265 4.093 4.470 -0.187 0.000 0.239 370 S C 0.700 175.317 174.600 0.028 0.000 1.054 370 S CA 1.845 60.061 58.200 0.028 0.000 1.035 370 S CB -0.396 62.820 63.200 0.027 0.000 0.840 370 S HN 0.327 nan 8.310 nan 0.000 0.475 371 K N 0.144 120.563 120.400 0.031 0.000 2.607 371 K HA 0.626 4.834 4.320 -0.187 0.000 0.287 371 K C -1.180 175.440 176.600 0.034 0.000 0.996 371 K CA -0.674 55.632 56.287 0.030 0.000 0.876 371 K CB 0.306 32.822 32.500 0.028 0.000 1.496 371 K HN 0.358 nan 8.250 nan 0.000 0.415 372 N N -1.099 117.620 118.700 0.031 0.000 3.002 372 N HA 0.730 5.358 4.740 -0.187 0.000 0.331 372 N C -1.326 174.201 175.510 0.029 0.000 1.384 372 N CA -0.969 52.101 53.050 0.034 0.000 0.780 372 N CB 1.323 39.831 38.487 0.034 0.000 1.492 372 N HN 0.458 nan 8.380 nan 0.000 0.608 373 V N -1.520 118.412 119.914 0.030 0.000 2.823 373 V HA 0.580 4.588 4.120 -0.187 0.000 0.312 373 V C -1.272 174.836 176.094 0.022 0.000 1.072 373 V CA -0.854 61.459 62.300 0.022 0.000 0.937 373 V CB 1.707 33.543 31.823 0.021 0.000 1.013 373 V HN 0.815 nan 8.190 nan 0.000 0.430 374 K N 4.626 125.035 120.400 0.014 0.000 2.376 374 K HA 0.620 4.829 4.320 -0.187 0.000 0.257 374 K C -1.702 174.905 176.600 0.012 0.000 0.939 374 K CA -0.733 55.563 56.287 0.014 0.000 0.809 374 K CB 1.706 34.211 32.500 0.009 0.000 1.121 374 K HN 0.617 nan 8.250 nan 0.000 0.425 375 L N 3.566 124.801 121.223 0.019 0.000 2.282 375 L HA 0.454 4.682 4.340 -0.187 0.000 0.288 375 L C -0.907 175.976 176.870 0.020 0.000 1.033 375 L CA 0.319 55.172 54.840 0.021 0.000 0.807 375 L CB 1.739 43.816 42.059 0.031 0.000 1.209 375 L HN 0.657 nan 8.230 nan 0.000 0.423 376 T N 5.676 120.239 114.554 0.016 0.000 2.930 376 T HA 0.587 4.825 4.350 -0.187 0.000 0.313 376 T C -1.227 173.485 174.700 0.020 0.000 1.019 376 T CA -0.415 61.694 62.100 0.016 0.000 1.004 376 T CB 0.257 69.129 68.868 0.007 0.000 0.987 376 T HN 0.600 nan 8.240 nan 0.000 0.456 377 V N 3.343 123.275 119.914 0.029 0.000 2.378 377 V HA 0.859 4.867 4.120 -0.187 0.000 0.288 377 V C -0.019 176.097 176.094 0.036 0.000 1.016 377 V CA -0.844 61.478 62.300 0.038 0.000 0.840 377 V CB 1.271 33.126 31.823 0.054 0.000 0.994 377 V HN 0.877 nan 8.190 nan 0.000 0.431 378 S N 3.900 119.614 115.700 0.025 0.000 2.516 378 S HA 0.592 4.950 4.470 -0.187 0.000 0.268 378 S C -0.520 174.086 174.600 0.009 0.000 1.251 378 S CA -0.703 57.507 58.200 0.018 0.000 1.153 378 S CB 0.109 63.312 63.200 0.006 0.000 1.009 378 S HN 0.788 nan 8.310 nan 0.000 0.479 379 N N 1.448 120.164 118.700 0.028 0.000 2.362 379 N HA 0.705 5.333 4.740 -0.187 0.000 0.299 379 N C -0.732 174.795 175.510 0.029 0.000 1.170 379 N CA -0.555 52.507 53.050 0.020 0.000 0.825 379 N CB 2.194 40.731 38.487 0.085 0.000 1.299 379 N HN 0.633 nan 8.380 nan 0.000 0.502 380 V N -1.452 118.471 119.914 0.015 0.000 2.962 380 V HA 0.596 4.604 4.120 -0.187 0.000 0.313 380 V C -0.106 176.010 176.094 0.036 0.000 1.099 380 V CA -1.039 61.276 62.300 0.025 0.000 0.971 380 V CB 1.569 33.396 31.823 0.006 0.000 1.028 380 V HN 0.421 nan 8.190 nan 0.000 0.430 381 L N 2.485 123.738 121.223 0.050 0.000 2.417 381 L HA 0.562 4.790 4.340 -0.187 0.000 0.268 381 L C 0.246 177.146 176.870 0.050 0.000 1.158 381 L CA -0.138 54.739 54.840 0.062 0.000 0.819 381 L CB 0.983 43.091 42.059 0.082 0.000 1.112 381 L HN 0.862 nan 8.230 nan 0.000 0.458 382 K N 3.046 123.474 120.400 0.047 0.000 2.716 382 K HA 0.154 4.362 4.320 -0.187 0.000 0.249 382 K C -0.804 175.832 176.600 0.061 0.000 1.004 382 K CA -0.542 55.770 56.287 0.041 0.000 0.968 382 K CB 1.302 33.811 32.500 0.016 0.000 1.214 382 K HN 0.601 nan 8.250 nan 0.000 0.476 383 E N 6.109 126.377 120.200 0.113 0.000 2.415 383 E HA 0.041 4.279 4.350 -0.187 0.000 0.260 383 E C -0.138 176.551 176.600 0.148 0.000 1.016 383 E CA -0.071 56.433 56.400 0.172 0.000 0.924 383 E CB 0.348 30.196 29.700 0.246 0.000 0.961 383 E HN 0.545 nan 8.360 nan 0.000 0.459 384 I N 0.766 121.400 120.570 0.106 0.000 3.067 384 I HA 0.517 4.575 4.170 -0.187 0.000 0.312 384 I C -0.630 175.452 176.117 -0.059 0.000 1.073 384 I CA -1.264 60.056 61.300 0.033 0.000 1.016 384 I CB 1.835 39.814 38.000 -0.034 0.000 1.227 384 I HN 0.255 nan 8.210 nan 0.000 0.456 385 K N 3.439 123.729 120.400 -0.183 0.000 2.404 385 K HA 0.542 4.750 4.320 -0.187 0.000 0.257 385 K C -0.880 175.581 176.600 -0.232 0.000 1.026 385 K CA -0.569 55.433 56.287 -0.475 0.000 0.951 385 K CB 0.792 32.940 32.500 -0.587 0.000 1.203 385 K HN 0.570 nan 8.250 nan 0.000 0.446 386 I N 3.651 124.139 120.570 -0.137 0.000 2.696 386 I HA 0.070 4.128 4.170 -0.187 0.000 0.284 386 I C -0.143 175.989 176.117 0.025 0.000 1.129 386 I CA -0.479 60.822 61.300 0.002 0.000 1.410 386 I CB 0.538 38.598 38.000 0.101 0.000 1.399 386 I HN 0.386 nan 8.210 nan 0.000 0.579 387 L N 6.579 127.831 121.223 0.048 0.000 2.442 387 L HA 0.403 4.631 4.340 -0.187 0.000 0.261 387 L C -0.722 176.172 176.870 0.040 0.000 1.000 387 L CA -0.220 54.645 54.840 0.042 0.000 0.882 387 L CB 0.484 42.541 42.059 -0.002 0.000 1.207 387 L HN 0.460 nan 8.230 nan 0.000 0.443 388 N N 5.478 124.239 118.700 0.103 0.000 2.488 388 N HA 0.394 5.022 4.740 -0.187 0.000 0.274 388 N C -0.718 174.681 175.510 -0.185 0.000 1.111 388 N CA -0.240 52.783 53.050 -0.045 0.000 0.974 388 N CB 1.869 40.432 38.487 0.127 0.000 1.089 388 N HN 0.351 nan 8.380 nan 0.000 0.465 389 I N 3.246 123.555 120.570 -0.435 0.000 2.362 389 I HA 0.357 4.415 4.170 -0.187 0.000 0.289 389 I C 0.163 175.902 176.117 -0.629 0.000 0.994 389 I CA -0.437 60.639 61.300 -0.373 0.000 1.158 389 I CB 0.197 38.034 38.000 -0.272 0.000 1.315 389 I HN 0.286 nan 8.210 nan 0.000 0.451 390 F N 2.794 122.340 119.950 -0.673 0.000 2.476 390 F HA 0.846 5.262 4.527 -0.185 0.000 0.358 390 F C 0.904 176.316 175.800 -0.647 0.000 1.091 390 F CA -0.545 56.901 58.000 -0.924 0.000 1.131 390 F CB 1.194 39.031 39.000 -1.939 0.000 1.653 390 F HN 0.479 nan 8.300 nan 0.000 0.518 391 G N 0.285 108.802 108.800 -0.472 0.000 2.026 391 G HA2 0.458 4.306 3.960 -0.187 0.000 0.208 391 G HA3 0.458 4.306 3.960 -0.187 0.000 0.208 391 G C -1.826 173.087 174.900 0.022 0.000 1.640 391 G CA -0.414 44.559 45.100 -0.212 0.000 0.946 391 G HN 0.856 nan 8.290 nan 0.000 0.709 392 V N 0.346 120.423 119.914 0.272 0.000 3.177 392 V HA 0.913 4.921 4.120 -0.187 0.000 0.319 392 V C 0.166 176.416 176.094 0.260 0.000 1.125 392 V CA -1.466 61.028 62.300 0.323 0.000 1.029 392 V CB 2.098 34.215 31.823 0.491 0.000 1.119 392 V HN 0.759 nan 8.190 nan 0.000 0.452 393 I N 1.151 121.855 120.570 0.224 0.000 2.623 393 I HA 0.361 4.419 4.170 -0.187 0.000 0.275 393 I C -0.249 175.927 176.117 0.098 0.000 1.108 393 I CA -0.769 60.634 61.300 0.171 0.000 1.120 393 I CB 1.199 39.323 38.000 0.206 0.000 1.249 393 I HN 0.664 nan 8.210 nan 0.000 0.500 394 K N 3.112 123.554 120.400 0.071 0.000 2.578 394 K HA 0.032 4.240 4.320 -0.187 0.000 0.279 394 K C 0.658 177.233 176.600 -0.041 0.000 0.983 394 K CA 0.559 56.835 56.287 -0.019 0.000 1.078 394 K CB 0.373 32.838 32.500 -0.057 0.000 0.852 394 K HN 0.647 nan 8.250 nan 0.000 0.490 395 G N 1.602 110.367 108.800 -0.059 0.000 2.563 395 G HA2 0.291 4.139 3.960 -0.187 0.000 0.283 395 G HA3 0.291 4.139 3.960 -0.187 0.000 0.283 395 G C -0.104 174.856 174.900 0.100 0.000 1.309 395 G CA -0.494 44.657 45.100 0.084 0.000 1.022 395 G HN 0.545 nan 8.290 nan 0.000 0.501 396 F N -1.757 118.150 119.950 -0.071 0.000 2.727 396 F HA 0.246 4.658 4.527 -0.191 0.000 0.302 396 F C 1.887 177.664 175.800 -0.038 0.000 1.107 396 F CA -0.009 57.962 58.000 -0.048 0.000 1.277 396 F CB 0.691 39.667 39.000 -0.040 0.000 1.079 396 F HN 0.168 nan 8.300 nan 0.000 0.594 397 V N -1.699 118.295 119.914 0.133 0.000 3.251 397 V HA 0.136 4.144 4.120 -0.187 0.000 0.239 397 V C 0.447 176.536 176.094 -0.009 0.000 1.332 397 V CA 0.247 62.581 62.300 0.057 0.000 1.224 397 V CB 0.552 32.410 31.823 0.058 0.000 1.004 397 V HN 0.006 nan 8.190 nan 0.000 0.464 398 E N 0.381 120.567 120.200 -0.024 0.000 3.582 398 E HA 0.209 4.447 4.350 -0.187 0.000 0.217 398 E C -2.071 174.452 176.600 -0.128 0.000 1.092 398 E CA -1.428 54.905 56.400 -0.112 0.000 1.365 398 E CB 1.078 30.730 29.700 -0.080 0.000 1.278 398 E HN 0.397 nan 8.360 nan 0.000 0.439 399 P HA -0.203 nan 4.420 nan 0.000 0.219 399 P C 0.341 177.475 177.300 -0.277 0.000 1.145 399 P CA 1.265 64.265 63.100 -0.167 0.000 0.813 399 P CB 0.181 31.812 31.700 -0.116 0.000 0.771 400 D N -2.769 117.516 120.400 -0.192 0.000 2.388 400 D HA 0.052 4.580 4.640 -0.187 0.000 0.221 400 D C 0.041 176.419 176.300 0.130 0.000 1.133 400 D CA 0.214 54.193 54.000 -0.036 0.000 0.831 400 D CB -0.256 40.564 40.800 0.033 0.000 0.962 400 D HN 0.377 nan 8.370 nan 0.000 0.502 401 H N -0.020 118.995 119.070 -0.090 0.000 2.638 401 H HA 0.219 4.653 4.556 -0.205 0.000 0.317 401 H C -0.572 174.802 175.328 0.078 0.000 1.006 401 H CA -0.628 55.530 56.048 0.183 0.000 1.222 401 H CB 0.816 30.721 29.762 0.239 0.000 1.419 401 H HN -0.109 nan 8.280 nan 0.000 0.489 402 Y N 1.385 121.826 120.300 0.235 0.000 2.519 402 Y HA 0.366 4.801 4.550 -0.191 0.000 0.324 402 Y C 0.194 175.820 175.900 -0.457 0.000 1.214 402 Y CA -1.049 57.050 58.100 -0.001 0.000 1.260 402 Y CB 1.190 39.686 38.460 0.060 0.000 1.311 402 Y HN 0.244 nan 8.280 nan 0.000 0.505 403 V N 2.097 121.858 119.914 -0.255 0.000 2.320 403 V HA 0.202 4.210 4.120 -0.187 0.000 0.268 403 V C -0.725 175.248 176.094 -0.202 0.000 1.021 403 V CA -0.946 61.078 62.300 -0.460 0.000 0.813 403 V CB 0.573 32.151 31.823 -0.409 0.000 1.054 403 V HN 0.528 nan 8.190 nan 0.000 0.444 404 V N 4.761 124.667 119.914 -0.014 0.000 2.458 404 V HA 0.090 4.098 4.120 -0.187 0.000 0.287 404 V C 0.349 176.396 176.094 -0.078 0.000 1.009 404 V CA 0.208 62.583 62.300 0.125 0.000 1.091 404 V CB 1.150 33.283 31.823 0.516 0.000 0.960 404 V HN 0.568 nan 8.190 nan 0.000 0.476 405 V N 5.741 125.529 119.914 -0.210 0.000 2.293 405 V HA 0.644 4.652 4.120 -0.187 0.000 0.275 405 V C 0.761 176.758 176.094 -0.161 0.000 1.021 405 V CA -0.108 62.012 62.300 -0.300 0.000 0.815 405 V CB 1.054 32.662 31.823 -0.359 0.000 1.025 405 V HN 0.940 nan 8.190 nan 0.000 0.448 406 G N 3.077 111.807 108.800 -0.117 0.000 2.521 406 G HA2 0.849 4.697 3.960 -0.187 0.000 0.323 406 G HA3 0.849 4.697 3.960 -0.187 0.000 0.323 406 G C -0.658 174.279 174.900 0.063 0.000 1.211 406 G CA -0.369 44.824 45.100 0.155 0.000 0.979 406 G HN 1.242 nan 8.290 nan 0.000 0.490 407 A N -0.095 122.771 122.820 0.077 0.000 2.508 407 A HA 0.511 4.719 4.320 -0.187 0.000 0.297 407 A C -0.414 177.234 177.584 0.106 0.000 1.036 407 A CA -0.521 51.555 52.037 0.065 0.000 0.957 407 A CB 0.729 19.709 19.000 -0.033 0.000 1.428 407 A HN 0.898 nan 8.150 nan 0.000 0.393 408 Q N 1.999 121.922 119.800 0.205 0.000 2.304 408 Q HA 0.161 4.389 4.340 -0.187 0.000 0.301 408 Q C 0.733 176.788 176.000 0.091 0.000 1.063 408 Q CA 0.748 56.671 55.803 0.200 0.000 0.947 408 Q CB 0.487 29.334 28.738 0.181 0.000 1.201 408 Q HN 0.760 nan 8.270 nan 0.000 0.389 409 R N 2.854 123.401 120.500 0.077 0.000 2.344 409 R HA 0.053 4.281 4.340 -0.187 0.000 0.209 409 R C -0.241 176.087 176.300 0.048 0.000 0.886 409 R CA 0.445 56.556 56.100 0.018 0.000 1.040 409 R CB 0.466 30.737 30.300 -0.048 0.000 1.114 409 R HN 0.884 nan 8.270 nan 0.000 0.547 410 D N 0.042 120.502 120.400 0.101 0.000 2.432 410 D HA 0.499 5.027 4.640 -0.187 0.000 0.258 410 D C -0.792 175.590 176.300 0.136 0.000 1.146 410 D CA -0.457 53.614 54.000 0.119 0.000 1.015 410 D CB 1.878 42.777 40.800 0.165 0.000 1.107 410 D HN 0.127 nan 8.370 nan 0.000 0.529 411 A N -0.899 122.005 122.820 0.140 0.000 2.590 411 A HA 0.274 4.483 4.320 -0.187 0.000 0.294 411 A C -0.746 176.928 177.584 0.149 0.000 1.046 411 A CA -0.817 51.315 52.037 0.158 0.000 0.684 411 A CB 0.232 19.316 19.000 0.139 0.000 1.279 411 A HN 0.702 nan 8.150 nan 0.000 0.415 412 W N 2.021 123.278 121.300 -0.073 0.000 2.418 412 W HA 0.310 4.858 4.660 -0.187 0.000 0.319 412 W C 1.470 177.956 176.519 -0.054 0.000 1.183 412 W CA 2.812 60.034 57.345 -0.206 0.000 1.327 412 W CB -0.504 28.729 29.460 -0.379 0.000 1.163 412 W HN 0.989 nan 8.180 nan 0.000 0.479 413 G N 0.005 108.904 108.800 0.165 0.000 2.624 413 G HA2 0.081 3.929 3.960 -0.187 0.000 0.217 413 G HA3 0.081 3.929 3.960 -0.187 0.000 0.217 413 G C -1.777 173.135 174.900 0.021 0.000 1.506 413 G CA 0.269 45.357 45.100 -0.019 0.000 1.072 413 G HN 0.092 nan 8.290 nan 0.000 0.568 414 P HA 0.055 nan 4.420 nan 0.000 0.236 414 P C 1.141 178.505 177.300 0.107 0.000 1.177 414 P CA 1.040 64.182 63.100 0.070 0.000 0.773 414 P CB 0.041 31.788 31.700 0.078 0.000 0.878 415 G N 1.282 110.167 108.800 0.141 0.000 2.385 415 G HA2 -0.237 3.611 3.960 -0.187 0.000 0.284 415 G HA3 -0.237 3.611 3.960 -0.187 0.000 0.284 415 G C 1.140 176.108 174.900 0.113 0.000 0.899 415 G CA 0.380 45.567 45.100 0.146 0.000 1.204 415 G HN 0.493 nan 8.290 nan 0.000 0.486 416 A N -0.204 122.695 122.820 0.131 0.000 1.972 416 A HA 0.280 4.488 4.320 -0.187 0.000 0.219 416 A C 2.678 180.300 177.584 0.064 0.000 1.169 416 A CA 2.210 54.324 52.037 0.128 0.000 0.635 416 A CB -0.374 18.742 19.000 0.194 0.000 0.810 416 A HN 1.719 nan 8.150 nan 0.000 0.446 417 A N -0.134 122.686 122.820 -0.000 0.000 1.862 417 A HA 0.079 4.287 4.320 -0.187 0.000 0.211 417 A C 2.013 179.562 177.584 -0.058 0.000 1.220 417 A CA 1.646 53.605 52.037 -0.129 0.000 0.616 417 A CB -0.487 18.236 19.000 -0.462 0.000 0.878 417 A HN 0.434 nan 8.150 nan 0.000 0.453 418 K N -0.344 120.054 120.400 -0.004 0.000 2.127 418 K HA -0.151 4.057 4.320 -0.187 0.000 0.208 418 K C 1.807 178.440 176.600 0.055 0.000 1.047 418 K CA 2.240 58.556 56.287 0.048 0.000 0.927 418 K CB -0.159 32.410 32.500 0.116 0.000 0.716 418 K HN 0.410 nan 8.250 nan 0.000 0.450 419 S N -2.480 113.253 115.700 0.056 0.000 2.691 419 S HA 0.236 4.594 4.470 -0.187 0.000 0.258 419 S C 1.498 176.114 174.600 0.028 0.000 1.078 419 S CA 0.132 58.362 58.200 0.050 0.000 1.000 419 S CB -0.010 63.231 63.200 0.068 0.000 0.942 419 S HN 0.479 nan 8.310 nan 0.000 0.521 420 G N 2.187 111.010 108.800 0.039 0.000 2.575 420 G HA2 -0.128 3.720 3.960 -0.187 0.000 0.215 420 G HA3 -0.128 3.720 3.960 -0.187 0.000 0.215 420 G C 1.397 176.310 174.900 0.022 0.000 1.262 420 G CA 1.440 46.563 45.100 0.039 0.000 0.807 420 G HN 0.402 nan 8.290 nan 0.000 0.567 421 V N 2.008 121.939 119.914 0.028 0.000 2.277 421 V HA -0.222 3.786 4.120 -0.187 0.000 0.253 421 V C 3.089 179.166 176.094 -0.028 0.000 1.067 421 V CA 2.315 64.621 62.300 0.010 0.000 1.047 421 V CB -1.471 30.360 31.823 0.014 0.000 0.649 421 V HN 0.511 nan 8.190 nan 0.000 0.447 422 G N -0.391 108.395 108.800 -0.023 0.000 2.604 422 G HA2 -0.275 3.573 3.960 -0.187 0.000 0.216 422 G HA3 -0.275 3.573 3.960 -0.187 0.000 0.216 422 G C 1.637 176.506 174.900 -0.051 0.000 1.265 422 G CA 1.590 46.667 45.100 -0.037 0.000 0.804 422 G HN 0.446 nan 8.290 nan 0.000 0.579 423 T N 1.748 116.274 114.554 -0.046 0.000 2.778 423 T HA -0.074 4.164 4.350 -0.187 0.000 0.269 423 T C 2.696 177.352 174.700 -0.074 0.000 1.050 423 T CA 1.658 63.715 62.100 -0.071 0.000 1.137 423 T CB -0.397 68.420 68.868 -0.084 0.000 0.860 423 T HN 0.433 nan 8.240 nan 0.000 0.468 424 A N 1.161 123.943 122.820 -0.062 0.000 1.877 424 A HA -0.011 4.197 4.320 -0.187 0.000 0.216 424 A C 2.295 179.785 177.584 -0.156 0.000 1.186 424 A CA 1.273 53.270 52.037 -0.067 0.000 0.620 424 A CB -0.781 18.198 19.000 -0.036 0.000 0.822 424 A HN 0.487 nan 8.150 nan 0.000 0.443 425 L N -0.859 120.239 121.223 -0.208 0.000 2.027 425 L HA -0.133 4.095 4.340 -0.187 0.000 0.206 425 L C 2.608 179.397 176.870 -0.135 0.000 1.074 425 L CA 1.080 55.745 54.840 -0.291 0.000 0.745 425 L CB -0.567 41.371 42.059 -0.202 0.000 0.898 425 L HN 0.448 nan 8.230 nan 0.000 0.433 426 L N -0.115 121.072 121.223 -0.059 0.000 1.997 426 L HA -0.312 3.916 4.340 -0.187 0.000 0.216 426 L C 2.581 179.457 176.870 0.009 0.000 1.074 426 L CA 1.740 56.595 54.840 0.025 0.000 0.763 426 L CB -0.168 41.903 42.059 0.020 0.000 0.890 426 L HN 0.244 nan 8.230 nan 0.000 0.434 427 L N -0.586 120.630 121.223 -0.012 0.000 1.961 427 L HA -0.250 3.978 4.340 -0.187 0.000 0.210 427 L C 2.741 179.530 176.870 -0.136 0.000 1.072 427 L CA 1.269 56.127 54.840 0.030 0.000 0.749 427 L CB -0.684 41.394 42.059 0.031 0.000 0.889 427 L HN 0.153 nan 8.230 nan 0.000 0.432 428 K N -0.141 120.207 120.400 -0.086 0.000 2.160 428 K HA -0.179 4.029 4.320 -0.187 0.000 0.206 428 K C 2.005 178.547 176.600 -0.097 0.000 1.047 428 K CA 1.257 57.510 56.287 -0.058 0.000 0.930 428 K CB -0.636 31.905 32.500 0.069 0.000 0.720 428 K HN 0.123 nan 8.250 nan 0.000 0.450 429 L N 0.563 121.740 121.223 -0.076 0.000 2.156 429 L HA 0.021 4.249 4.340 -0.187 0.000 0.208 429 L C 2.063 178.977 176.870 0.073 0.000 1.095 429 L CA 1.493 56.395 54.840 0.102 0.000 0.770 429 L CB -0.753 41.429 42.059 0.204 0.000 0.914 429 L HN 0.108 nan 8.230 nan 0.000 0.439 430 A N -1.354 121.195 122.820 -0.452 0.000 1.930 430 A HA -0.215 3.993 4.320 -0.187 0.000 0.215 430 A C 2.251 179.377 177.584 -0.764 0.000 1.176 430 A CA 1.309 52.632 52.037 -1.190 0.000 0.632 430 A CB -0.525 17.502 19.000 -1.621 0.000 0.819 430 A HN 0.564 nan 8.150 nan 0.000 0.445 431 Q N -0.672 118.546 119.800 -0.970 0.000 2.096 431 Q HA -0.198 4.030 4.340 -0.187 0.000 0.204 431 Q C 2.036 177.810 176.000 -0.378 0.000 0.982 431 Q CA 1.948 57.116 55.803 -1.058 0.000 0.850 431 Q CB -0.213 27.948 28.738 -0.962 0.000 0.901 431 Q HN 0.709 nan 8.270 nan 0.000 0.422 432 M N -0.699 118.764 119.600 -0.228 0.000 2.064 432 M HA -0.115 4.253 4.480 -0.187 0.000 0.260 432 M C 1.931 178.154 176.300 -0.128 0.000 1.073 432 M CA 1.461 56.657 55.300 -0.174 0.000 1.124 432 M CB -0.417 32.039 32.600 -0.241 0.000 1.326 432 M HN 0.195 nan 8.290 nan 0.000 0.410 433 F N 1.140 121.137 119.950 0.079 0.000 2.126 433 F HA -0.266 4.150 4.527 -0.185 0.000 0.299 433 F C 3.013 178.925 175.800 0.187 0.000 1.096 433 F CA 1.902 60.044 58.000 0.236 0.000 1.255 433 F CB -1.075 38.152 39.000 0.378 0.000 0.997 433 F HN 0.271 nan 8.300 nan 0.000 0.479 434 S N -0.425 115.418 115.700 0.239 0.000 2.359 434 S HA -0.289 4.069 4.470 -0.187 0.000 0.224 434 S C 1.766 176.447 174.600 0.135 0.000 1.035 434 S CA 1.610 59.908 58.200 0.164 0.000 1.018 434 S CB -0.974 62.276 63.200 0.083 0.000 0.876 434 S HN 0.412 nan 8.310 nan 0.000 0.448 435 D N 1.292 121.737 120.400 0.076 0.000 2.092 435 D HA -0.088 4.440 4.640 -0.187 0.000 0.193 435 D C 2.096 178.445 176.300 0.081 0.000 0.994 435 D CA 1.654 55.690 54.000 0.060 0.000 0.828 435 D CB -0.287 40.519 40.800 0.009 0.000 0.963 435 D HN 0.376 nan 8.370 nan 0.000 0.450 436 M N -0.409 119.243 119.600 0.087 0.000 2.144 436 M HA -0.174 4.194 4.480 -0.187 0.000 0.260 436 M C 2.156 178.596 176.300 0.232 0.000 1.067 436 M CA 0.882 56.262 55.300 0.134 0.000 1.095 436 M CB -0.170 32.517 32.600 0.145 0.000 1.365 436 M HN 0.050 nan 8.290 nan 0.000 0.406 437 V N 0.193 120.258 119.914 0.252 0.000 2.358 437 V HA -0.233 3.775 4.120 -0.187 0.000 0.246 437 V C 2.332 178.525 176.094 0.165 0.000 1.047 437 V CA 1.213 63.630 62.300 0.194 0.000 1.035 437 V CB -0.527 31.404 31.823 0.181 0.000 0.658 437 V HN 0.370 nan 8.190 nan 0.000 0.452 438 L N -0.280 121.027 121.223 0.141 0.000 2.034 438 L HA -0.018 4.210 4.340 -0.187 0.000 0.203 438 L C 2.347 179.272 176.870 0.091 0.000 1.074 438 L CA 1.919 56.828 54.840 0.115 0.000 0.748 438 L CB -1.254 40.865 42.059 0.100 0.000 0.905 438 L HN 0.328 nan 8.230 nan 0.000 0.439 439 K N -0.373 120.074 120.400 0.078 0.000 2.067 439 K HA -0.046 4.162 4.320 -0.187 0.000 0.203 439 K C 1.420 178.049 176.600 0.048 0.000 1.048 439 K CA 0.907 57.227 56.287 0.055 0.000 0.954 439 K CB 0.047 32.571 32.500 0.040 0.000 0.737 439 K HN 0.244 nan 8.250 nan 0.000 0.444 440 D N -0.304 120.128 120.400 0.053 0.000 2.355 440 D HA 0.012 4.540 4.640 -0.187 0.000 0.218 440 D C 0.967 177.301 176.300 0.056 0.000 1.004 440 D CA 0.877 54.899 54.000 0.038 0.000 0.880 440 D CB 0.677 41.483 40.800 0.010 0.000 0.911 440 D HN 0.460 nan 8.370 nan 0.000 0.528 441 G N 1.484 110.334 108.800 0.083 0.000 2.143 441 G HA2 -0.290 3.558 3.960 -0.187 0.000 0.249 441 G HA3 -0.290 3.558 3.960 -0.187 0.000 0.249 441 G C 0.120 175.075 174.900 0.091 0.000 0.981 441 G CA -0.225 44.915 45.100 0.068 0.000 0.665 441 G HN 0.318 nan 8.290 nan 0.000 0.528 442 F N 2.157 122.076 119.950 -0.051 0.000 2.541 442 F HA 0.500 4.916 4.527 -0.185 0.000 0.378 442 F C 0.720 176.417 175.800 -0.171 0.000 1.068 442 F CA -0.586 57.374 58.000 -0.066 0.000 1.199 442 F CB 0.483 39.489 39.000 0.010 0.000 1.091 442 F HN 0.249 nan 8.300 nan 0.000 0.555 443 Q N 7.800 127.414 119.800 -0.310 0.000 2.842 443 Q HA 0.271 4.499 4.340 -0.187 0.000 0.323 443 Q C -2.345 173.189 176.000 -0.776 0.000 1.111 443 Q CA -1.995 53.194 55.803 -1.023 0.000 1.047 443 Q CB 0.457 28.560 28.738 -1.058 0.000 1.280 443 Q HN 0.460 nan 8.270 nan 0.000 0.475 444 P HA -0.086 nan 4.420 nan 0.000 0.255 444 P C 0.247 177.512 177.300 -0.057 0.000 1.161 444 P CA 0.701 63.574 63.100 -0.378 0.000 0.768 444 P CB 0.831 32.273 31.700 -0.429 0.000 0.746 445 S N 2.740 118.458 115.700 0.030 0.000 2.447 445 S HA -0.059 4.299 4.470 -0.187 0.000 0.233 445 S C 0.760 175.413 174.600 0.089 0.000 1.006 445 S CA 1.054 59.297 58.200 0.071 0.000 0.957 445 S CB -0.136 63.095 63.200 0.052 0.000 0.773 445 S HN 0.430 nan 8.310 nan 0.000 0.507 446 R N 1.150 121.711 120.500 0.100 0.000 2.686 446 R HA 0.358 4.586 4.340 -0.187 0.000 0.283 446 R C -0.481 175.837 176.300 0.030 0.000 0.978 446 R CA -0.382 55.781 56.100 0.105 0.000 0.897 446 R CB 1.808 32.281 30.300 0.288 0.000 1.192 446 R HN 0.210 nan 8.270 nan 0.000 0.457 447 S N 2.445 118.065 115.700 -0.133 0.000 2.573 447 S HA 0.291 4.649 4.470 -0.187 0.000 0.277 447 S C 0.459 174.987 174.600 -0.120 0.000 1.346 447 S CA -0.353 57.732 58.200 -0.191 0.000 1.034 447 S CB 0.496 63.424 63.200 -0.453 0.000 0.879 447 S HN 0.410 nan 8.310 nan 0.000 0.528 448 I N 1.755 122.287 120.570 -0.064 0.000 2.493 448 I HA 0.519 4.577 4.170 -0.187 0.000 0.298 448 I C -0.330 175.721 176.117 -0.110 0.000 0.998 448 I CA -0.742 60.442 61.300 -0.193 0.000 1.137 448 I CB 1.678 39.453 38.000 -0.375 0.000 1.310 448 I HN 0.670 nan 8.210 nan 0.000 0.445 449 I N 5.902 126.354 120.570 -0.195 0.000 2.517 449 I HA 0.391 4.449 4.170 -0.187 0.000 0.280 449 I C -1.259 174.703 176.117 -0.259 0.000 1.061 449 I CA -0.366 60.915 61.300 -0.032 0.000 1.091 449 I CB 0.607 38.767 38.000 0.266 0.000 1.205 449 I HN 0.313 nan 8.210 nan 0.000 0.459 450 F N 6.356 126.180 119.950 -0.210 0.000 2.389 450 F HA 0.687 5.103 4.527 -0.184 0.000 0.337 450 F C 0.752 176.274 175.800 -0.463 0.000 1.112 450 F CA -0.372 57.439 58.000 -0.315 0.000 1.192 450 F CB 1.256 40.010 39.000 -0.410 0.000 1.185 450 F HN 0.484 nan 8.300 nan 0.000 0.552 451 A N 1.397 123.955 122.820 -0.438 0.000 2.437 451 A HA 0.544 4.753 4.320 -0.187 0.000 0.293 451 A C -0.885 175.996 177.584 -1.171 0.000 1.038 451 A CA -0.615 50.728 52.037 -1.157 0.000 0.708 451 A CB 1.380 19.215 19.000 -1.941 0.000 1.251 451 A HN 0.569 nan 8.150 nan 0.000 0.409 452 S N 2.725 117.839 115.700 -0.977 0.000 2.488 452 S HA 0.506 4.864 4.470 -0.187 0.000 0.310 452 S C -0.337 173.871 174.600 -0.653 0.000 1.093 452 S CA -0.460 57.345 58.200 -0.659 0.000 1.129 452 S CB -0.378 62.598 63.200 -0.374 0.000 0.989 452 S HN 0.506 nan 8.310 nan 0.000 0.479 453 W N 2.700 123.907 121.300 -0.154 0.000 1.992 453 W HA 0.537 5.084 4.660 -0.190 0.000 0.360 453 W C 1.090 177.595 176.519 -0.024 0.000 1.369 453 W CA -0.413 56.879 57.345 -0.089 0.000 1.403 453 W CB 0.191 29.646 29.460 -0.009 0.000 1.215 453 W HN 0.502 nan 8.180 nan 0.000 0.643 454 S N -0.746 115.125 115.700 0.285 0.000 2.685 454 S HA 0.524 4.882 4.470 -0.187 0.000 0.282 454 S C -0.007 174.727 174.600 0.222 0.000 1.159 454 S CA -0.119 58.197 58.200 0.192 0.000 0.833 454 S CB 1.013 64.284 63.200 0.119 0.000 1.151 454 S HN 1.568 nan 8.310 nan 0.000 0.485 455 A N -0.088 122.861 122.820 0.215 0.000 2.798 455 A HA -0.162 4.046 4.320 -0.187 0.000 0.282 455 A C 1.405 179.213 177.584 0.374 0.000 1.464 455 A CA 1.833 54.031 52.037 0.269 0.000 0.844 455 A CB -2.291 16.786 19.000 0.130 0.000 1.006 455 A HN 1.622 nan 8.150 nan 0.000 0.577 456 G N -1.035 107.959 108.800 0.324 0.000 2.448 456 G HA2 -0.057 3.791 3.960 -0.187 0.000 0.218 456 G HA3 -0.057 3.791 3.960 -0.187 0.000 0.218 456 G C 0.959 176.031 174.900 0.287 0.000 1.135 456 G CA 1.103 46.374 45.100 0.285 0.000 0.784 456 G HN 0.611 nan 8.290 nan 0.000 0.543 457 D N -0.035 120.545 120.400 0.301 0.000 2.378 457 D HA -0.016 4.512 4.640 -0.187 0.000 0.222 457 D C 0.631 176.827 176.300 -0.174 0.000 0.980 457 D CA 0.477 54.549 54.000 0.120 0.000 0.907 457 D CB -0.013 40.867 40.800 0.135 0.000 0.899 457 D HN 0.379 nan 8.370 nan 0.000 0.527 458 F N -0.660 119.340 119.950 0.083 0.000 2.708 458 F HA 0.342 4.757 4.527 -0.187 0.000 0.300 458 F C 1.428 177.320 175.800 0.154 0.000 1.118 458 F CA -0.276 57.658 58.000 -0.111 0.000 1.307 458 F CB 0.835 39.934 39.000 0.165 0.000 0.986 458 F HN -0.126 nan 8.300 nan 0.000 0.522 459 G N -0.472 108.656 108.800 0.547 0.000 2.237 459 G HA2 -0.168 3.680 3.960 -0.187 0.000 0.153 459 G HA3 -0.168 3.680 3.960 -0.187 0.000 0.153 459 G C 0.638 175.696 174.900 0.265 0.000 1.039 459 G CA -0.223 45.198 45.100 0.534 0.000 0.719 459 G HN 0.179 nan 8.290 nan 0.000 0.491 460 S N -2.604 113.231 115.700 0.225 0.000 3.476 460 S HA -0.336 4.022 4.470 -0.187 0.000 0.309 460 S C 2.139 176.792 174.600 0.088 0.000 1.222 460 S CA 1.348 59.622 58.200 0.124 0.000 0.922 460 S CB -1.759 61.474 63.200 0.055 0.000 1.023 460 S HN 1.548 nan 8.310 nan 0.000 0.591 461 V N 0.567 120.575 119.914 0.157 0.000 2.418 461 V HA -0.346 3.662 4.120 -0.187 0.000 0.258 461 V C 2.640 178.759 176.094 0.041 0.000 1.088 461 V CA 2.603 64.961 62.300 0.097 0.000 1.091 461 V CB -1.517 30.394 31.823 0.147 0.000 0.669 461 V HN 0.768 nan 8.190 nan 0.000 0.461 462 G N -0.734 108.134 108.800 0.113 0.000 2.424 462 G HA2 -0.084 3.764 3.960 -0.187 0.000 0.214 462 G HA3 -0.084 3.764 3.960 -0.187 0.000 0.214 462 G C 1.759 176.750 174.900 0.152 0.000 1.202 462 G CA 0.939 46.146 45.100 0.178 0.000 0.793 462 G HN 0.638 nan 8.290 nan 0.000 0.534 463 A N 0.275 123.047 122.820 -0.080 0.000 1.902 463 A HA 0.003 4.211 4.320 -0.187 0.000 0.217 463 A C 2.536 179.914 177.584 -0.343 0.000 1.181 463 A CA 2.518 54.101 52.037 -0.757 0.000 0.623 463 A CB -1.000 17.033 19.000 -1.611 0.000 0.818 463 A HN 0.324 nan 8.150 nan 0.000 0.443 464 T N 0.366 114.791 114.554 -0.215 0.000 2.622 464 T HA -0.137 4.101 4.350 -0.187 0.000 0.266 464 T C 1.657 176.257 174.700 -0.166 0.000 1.047 464 T CA 1.450 63.432 62.100 -0.196 0.000 1.159 464 T CB -0.335 68.437 68.868 -0.159 0.000 0.863 464 T HN 0.495 nan 8.240 nan 0.000 0.422 465 E N -0.077 120.027 120.200 -0.160 0.000 2.333 465 E HA -0.118 4.121 4.350 -0.187 0.000 0.198 465 E C 1.683 178.254 176.600 -0.048 0.000 1.007 465 E CA 0.531 56.803 56.400 -0.213 0.000 0.845 465 E CB -0.207 29.245 29.700 -0.413 0.000 0.766 465 E HN 0.683 nan 8.360 nan 0.000 0.507 466 W N 1.447 122.704 121.300 -0.072 0.000 2.408 466 W HA -0.083 4.465 4.660 -0.187 0.000 0.311 466 W C 1.922 178.530 176.519 0.148 0.000 1.190 466 W CA 1.013 58.487 57.345 0.216 0.000 1.321 466 W CB -0.553 29.155 29.460 0.413 0.000 1.143 466 W HN -0.065 nan 8.180 nan 0.000 0.501 467 L N 0.634 121.887 121.223 0.050 0.000 2.013 467 L HA -0.269 3.959 4.340 -0.187 0.000 0.212 467 L C 2.398 179.287 176.870 0.032 0.000 1.073 467 L CA 2.054 56.800 54.840 -0.157 0.000 0.753 467 L CB -1.296 40.652 42.059 -0.184 0.000 0.890 467 L HN 0.041 nan 8.230 nan 0.000 0.432 468 E N 0.116 120.344 120.200 0.046 0.000 2.253 468 E HA -0.249 3.989 4.350 -0.187 0.000 0.202 468 E C 2.137 178.749 176.600 0.021 0.000 1.014 468 E CA 1.039 57.478 56.400 0.065 0.000 0.823 468 E CB -0.290 29.343 29.700 -0.112 0.000 0.736 468 E HN 0.632 nan 8.360 nan 0.000 0.478 469 G N -0.407 108.370 108.800 -0.039 0.000 2.422 469 G HA2 -0.195 3.653 3.960 -0.187 0.000 0.218 469 G HA3 -0.195 3.653 3.960 -0.187 0.000 0.218 469 G C 0.444 175.131 174.900 -0.356 0.000 1.140 469 G CA 0.391 45.390 45.100 -0.169 0.000 0.775 469 G HN 0.207 nan 8.290 nan 0.000 0.545 470 Y N -0.003 120.115 120.300 -0.303 0.000 2.631 470 Y HA 0.377 4.814 4.550 -0.189 0.000 0.361 470 Y C 1.331 177.077 175.900 -0.257 0.000 0.941 470 Y CA -1.219 56.695 58.100 -0.310 0.000 1.327 470 Y CB 0.599 38.797 38.460 -0.437 0.000 1.299 470 Y HN 0.020 nan 8.280 nan 0.000 0.578 471 L N 0.918 122.093 121.223 -0.081 0.000 2.270 471 L HA -0.232 3.996 4.340 -0.187 0.000 0.217 471 L C 1.430 178.226 176.870 -0.124 0.000 1.107 471 L CA 2.313 57.089 54.840 -0.107 0.000 0.772 471 L CB -0.187 41.848 42.059 -0.040 0.000 0.902 471 L HN 0.392 nan 8.230 nan 0.000 0.439 472 S N -4.087 111.540 115.700 -0.122 0.000 3.073 472 S HA 0.278 4.636 4.470 -0.187 0.000 0.252 472 S C 0.688 175.125 174.600 -0.271 0.000 0.953 472 S CA 0.034 58.154 58.200 -0.132 0.000 1.105 472 S CB -0.236 62.926 63.200 -0.064 0.000 1.070 472 S HN 0.417 nan 8.310 nan 0.000 0.574 473 S N -0.055 115.448 115.700 -0.329 0.000 2.617 473 S HA 0.190 4.548 4.470 -0.187 0.000 0.278 473 S C 1.138 175.452 174.600 -0.476 0.000 1.082 473 S CA 0.208 58.144 58.200 -0.440 0.000 1.228 473 S CB -0.486 62.603 63.200 -0.186 0.000 1.130 473 S HN 0.264 nan 8.310 nan 0.000 0.621 474 L N 4.605 125.624 121.223 -0.341 0.000 2.043 474 L HA -0.170 4.058 4.340 -0.187 0.000 0.212 474 L C 2.605 179.319 176.870 -0.261 0.000 1.075 474 L CA 2.667 57.300 54.840 -0.345 0.000 0.752 474 L CB -1.113 40.740 42.059 -0.342 0.000 0.891 474 L HN 0.696 nan 8.230 nan 0.000 0.432 475 H N -1.495 117.451 119.070 -0.206 0.000 2.489 475 H HA -0.126 4.314 4.556 -0.193 0.000 0.293 475 H C 1.972 177.240 175.328 -0.099 0.000 1.066 475 H CA 1.417 57.384 56.048 -0.135 0.000 1.305 475 H CB -0.554 29.062 29.762 -0.243 0.000 1.386 475 H HN 0.457 nan 8.280 nan 0.000 0.551 476 L N 0.139 121.038 121.223 -0.540 0.000 2.478 476 L HA -0.017 4.211 4.340 -0.187 0.000 0.223 476 L C 2.020 178.887 176.870 -0.004 0.000 1.140 476 L CA 0.775 55.473 54.840 -0.237 0.000 0.842 476 L CB 0.125 41.992 42.059 -0.319 0.000 0.953 476 L HN 0.202 nan 8.230 nan 0.000 0.452 477 K N -0.561 119.832 120.400 -0.011 0.000 2.309 477 K HA 0.303 4.511 4.320 -0.187 0.000 0.210 477 K C 0.634 177.389 176.600 0.257 0.000 1.114 477 K CA 0.297 56.678 56.287 0.157 0.000 0.912 477 K CB 0.248 32.739 32.500 -0.015 0.000 1.198 477 K HN 0.042 nan 8.250 nan 0.000 0.471 478 A N 1.693 124.603 122.820 0.150 0.000 2.276 478 A HA 0.353 4.561 4.320 -0.187 0.000 0.300 478 A C 0.190 177.886 177.584 0.186 0.000 1.235 478 A CA -0.398 51.749 52.037 0.184 0.000 0.867 478 A CB -0.283 18.872 19.000 0.259 0.000 1.137 478 A HN 0.440 nan 8.150 nan 0.000 0.527 479 F N 0.581 120.617 119.950 0.143 0.000 2.695 479 F HA 0.464 4.880 4.527 -0.185 0.000 0.303 479 F C 0.127 176.007 175.800 0.133 0.000 1.091 479 F CA -0.255 57.801 58.000 0.092 0.000 1.300 479 F CB -0.030 38.967 39.000 -0.004 0.000 1.071 479 F HN 0.287 nan 8.300 nan 0.000 0.578 480 T N -0.007 114.523 114.554 -0.040 0.000 3.225 480 T HA 0.210 4.448 4.350 -0.187 0.000 0.356 480 T C -2.483 172.229 174.700 0.020 0.000 1.460 480 T CA -0.490 61.637 62.100 0.046 0.000 1.126 480 T CB 1.398 70.296 68.868 0.051 0.000 1.321 480 T HN 0.135 nan 8.240 nan 0.000 0.478 481 Y N 4.115 124.368 120.300 -0.078 0.000 2.326 481 Y HA 0.728 5.165 4.550 -0.189 0.000 0.331 481 Y C -0.852 174.932 175.900 -0.192 0.000 0.962 481 Y CA -1.163 56.793 58.100 -0.240 0.000 1.167 481 Y CB 0.438 38.559 38.460 -0.567 0.000 1.148 481 Y HN 0.616 nan 8.280 nan 0.000 0.463 482 I N 5.420 125.560 120.570 -0.716 0.000 2.797 482 I HA 0.323 4.381 4.170 -0.187 0.000 0.310 482 I C -0.352 175.183 176.117 -0.970 0.000 0.990 482 I CA -0.912 60.063 61.300 -0.541 0.000 1.228 482 I CB 1.454 39.333 38.000 -0.202 0.000 1.406 482 I HN 0.630 nan 8.210 nan 0.000 0.534 483 N N 3.758 122.084 118.700 -0.622 0.000 2.478 483 N HA 0.291 4.919 4.740 -0.187 0.000 0.291 483 N C -0.500 174.748 175.510 -0.437 0.000 1.090 483 N CA -0.399 52.346 53.050 -0.509 0.000 0.911 483 N CB 1.925 40.209 38.487 -0.339 0.000 1.546 483 N HN 0.536 nan 8.380 nan 0.000 0.500 484 L N 0.802 121.851 121.223 -0.289 0.000 2.607 484 L HA 0.234 4.462 4.340 -0.187 0.000 0.228 484 L C 0.143 176.909 176.870 -0.174 0.000 1.123 484 L CA -0.173 54.506 54.840 -0.267 0.000 0.890 484 L CB -0.150 41.828 42.059 -0.134 0.000 1.103 484 L HN 0.369 nan 8.230 nan 0.000 0.468 485 D N 2.152 122.481 120.400 -0.118 0.000 2.506 485 D HA -0.055 4.473 4.640 -0.187 0.000 0.234 485 D C 0.558 176.812 176.300 -0.076 0.000 1.143 485 D CA 0.428 54.397 54.000 -0.052 0.000 0.871 485 D CB 0.471 41.270 40.800 -0.001 0.000 1.190 485 D HN 0.039 nan 8.370 nan 0.000 0.459 486 K N 0.526 120.902 120.400 -0.040 0.000 3.213 486 K HA -0.277 3.931 4.320 -0.187 0.000 0.266 486 K C 0.864 177.451 176.600 -0.022 0.000 0.911 486 K CA 0.346 56.609 56.287 -0.040 0.000 0.684 486 K CB -1.032 31.446 32.500 -0.037 0.000 1.402 486 K HN 0.510 nan 8.250 nan 0.000 0.465 487 A N 0.050 122.871 122.820 0.001 0.000 1.930 487 A HA -0.010 4.198 4.320 -0.187 0.000 0.217 487 A C 0.911 178.645 177.584 0.251 0.000 1.175 487 A CA 1.092 53.198 52.037 0.115 0.000 0.627 487 A CB 0.518 19.617 19.000 0.166 0.000 0.815 487 A HN 0.138 nan 8.150 nan 0.000 0.443 488 V N 0.289 120.296 119.914 0.155 0.000 2.378 488 V HA 0.436 4.444 4.120 -0.187 0.000 0.288 488 V C -0.113 176.019 176.094 0.063 0.000 1.016 488 V CA -0.196 62.200 62.300 0.159 0.000 0.840 488 V CB 1.339 33.222 31.823 0.100 0.000 0.994 488 V HN 0.306 nan 8.190 nan 0.000 0.431 489 L N 3.988 125.276 121.223 0.107 0.000 3.327 489 L HA 0.697 4.925 4.340 -0.187 0.000 0.299 489 L C 0.869 177.841 176.870 0.170 0.000 1.201 489 L CA 0.926 55.812 54.840 0.076 0.000 1.059 489 L CB 0.723 42.819 42.059 0.061 0.000 1.488 489 L HN 0.805 nan 8.230 nan 0.000 0.609 490 G N -1.230 107.670 108.800 0.166 0.000 2.500 490 G HA2 0.455 4.303 3.960 -0.187 0.000 0.299 490 G HA3 0.455 4.303 3.960 -0.187 0.000 0.299 490 G C -0.390 174.601 174.900 0.151 0.000 1.242 490 G CA 0.448 45.639 45.100 0.153 0.000 0.859 490 G HN -0.176 nan 8.290 nan 0.000 0.481 491 T N -2.974 111.685 114.554 0.174 0.000 3.502 491 T HA 0.380 4.618 4.350 -0.187 0.000 0.310 491 T C 1.051 175.966 174.700 0.357 0.000 0.902 491 T CA 0.957 63.199 62.100 0.236 0.000 0.964 491 T CB 0.413 69.385 68.868 0.173 0.000 1.200 491 T HN 0.374 nan 8.240 nan 0.000 0.599 492 S N 1.911 117.776 115.700 0.275 0.000 2.431 492 S HA 0.268 4.626 4.470 -0.187 0.000 0.210 492 S C 0.919 175.695 174.600 0.292 0.000 1.013 492 S CA 0.049 58.399 58.200 0.250 0.000 0.920 492 S CB -0.064 63.220 63.200 0.140 0.000 0.882 492 S HN 0.537 nan 8.310 nan 0.000 0.567 493 N N 0.377 119.211 118.700 0.223 0.000 2.476 493 N HA 0.379 5.007 4.740 -0.187 0.000 0.287 493 N C -1.236 174.419 175.510 0.243 0.000 1.262 493 N CA -0.240 52.927 53.050 0.196 0.000 0.980 493 N CB 0.503 39.055 38.487 0.108 0.000 1.163 493 N HN 0.249 nan 8.380 nan 0.000 0.592 494 F N 0.660 120.585 119.950 -0.041 0.000 2.824 494 F HA 0.244 4.658 4.527 -0.187 0.000 0.368 494 F C 0.041 175.769 175.800 -0.121 0.000 1.398 494 F CA -0.728 57.154 58.000 -0.196 0.000 1.142 494 F CB 0.221 39.032 39.000 -0.315 0.000 1.997 494 F HN 0.268 nan 8.300 nan 0.000 0.598 495 K N 2.249 122.461 120.400 -0.312 0.000 2.440 495 K HA 0.507 4.715 4.320 -0.187 0.000 0.270 495 K C -1.279 175.022 176.600 -0.498 0.000 0.980 495 K CA 0.138 56.249 56.287 -0.293 0.000 0.953 495 K CB 0.789 33.181 32.500 -0.181 0.000 0.925 495 K HN 0.308 nan 8.250 nan 0.000 0.497 496 V N 2.414 122.139 119.914 -0.316 0.000 2.752 496 V HA 0.206 4.214 4.120 -0.187 0.000 0.302 496 V C -1.315 174.691 176.094 -0.147 0.000 1.133 496 V CA -0.837 61.308 62.300 -0.259 0.000 0.919 496 V CB 2.208 33.910 31.823 -0.202 0.000 1.026 496 V HN 0.849 nan 8.190 nan 0.000 0.429 497 S N 2.942 118.563 115.700 -0.132 0.000 2.502 497 S HA 0.983 5.341 4.470 -0.187 0.000 0.304 497 S C -0.168 174.359 174.600 -0.122 0.000 1.097 497 S CA -0.101 58.017 58.200 -0.137 0.000 1.045 497 S CB 1.971 65.083 63.200 -0.147 0.000 1.019 497 S HN 1.361 nan 8.310 nan 0.000 0.481 498 A N 1.508 124.232 122.820 -0.161 0.000 2.511 498 A HA 0.802 5.010 4.320 -0.187 0.000 0.293 498 A C -0.662 176.773 177.584 -0.250 0.000 1.098 498 A CA -0.714 51.231 52.037 -0.153 0.000 0.643 498 A CB 0.666 19.614 19.000 -0.086 0.000 1.302 498 A HN 0.711 nan 8.150 nan 0.000 0.446 499 S N 0.897 116.487 115.700 -0.182 0.000 2.545 499 S HA 0.476 4.834 4.470 -0.187 0.000 0.275 499 S C -1.082 173.464 174.600 -0.090 0.000 1.299 499 S CA -0.921 57.175 58.200 -0.174 0.000 1.048 499 S CB 0.726 63.943 63.200 0.027 0.000 0.938 499 S HN 0.464 nan 8.310 nan 0.000 0.496 500 P HA -0.170 nan 4.420 nan 0.000 0.219 500 P C 1.354 178.644 177.300 -0.016 0.000 1.145 500 P CA 1.167 64.192 63.100 -0.125 0.000 0.813 500 P CB -0.048 31.459 31.700 -0.323 0.000 0.771 501 L N -1.632 119.627 121.223 0.061 0.000 2.362 501 L HA -0.061 4.167 4.340 -0.187 0.000 0.219 501 L C 2.171 179.071 176.870 0.050 0.000 1.134 501 L CA 0.966 55.880 54.840 0.122 0.000 0.807 501 L CB -0.487 41.712 42.059 0.235 0.000 0.927 501 L HN -0.004 nan 8.230 nan 0.000 0.447 502 L N -2.417 118.808 121.223 0.004 0.000 2.857 502 L HA 0.014 4.242 4.340 -0.187 0.000 0.249 502 L C 1.802 178.602 176.870 -0.117 0.000 1.172 502 L CA -0.305 54.479 54.840 -0.094 0.000 0.980 502 L CB -0.142 41.825 42.059 -0.154 0.000 1.299 502 L HN 0.070 nan 8.230 nan 0.000 0.535 503 Y N 1.391 121.609 120.300 -0.137 0.000 2.097 503 Y HA -0.310 4.127 4.550 -0.188 0.000 0.282 503 Y C 2.446 178.269 175.900 -0.128 0.000 1.152 503 Y CA 2.318 60.342 58.100 -0.127 0.000 1.136 503 Y CB -0.287 38.106 38.460 -0.112 0.000 0.975 503 Y HN 0.080 nan 8.280 nan 0.000 0.498 504 T N 1.023 115.442 114.554 -0.224 0.000 2.962 504 T HA -0.138 4.100 4.350 -0.187 0.000 0.270 504 T C 1.748 176.262 174.700 -0.310 0.000 1.088 504 T CA 1.219 63.143 62.100 -0.292 0.000 1.127 504 T CB -0.455 68.335 68.868 -0.131 0.000 0.883 504 T HN 0.287 nan 8.240 nan 0.000 0.493 505 L N 1.014 122.061 121.223 -0.293 0.000 2.044 505 L HA 0.181 4.410 4.340 -0.187 0.000 0.205 505 L C 2.063 178.763 176.870 -0.284 0.000 1.075 505 L CA 1.396 56.051 54.840 -0.308 0.000 0.747 505 L CB -0.565 41.252 42.059 -0.405 0.000 0.903 505 L HN 0.220 nan 8.230 nan 0.000 0.435 506 I N -0.348 120.025 120.570 -0.329 0.000 2.163 506 I HA -0.314 3.744 4.170 -0.187 0.000 0.243 506 I C 2.495 178.532 176.117 -0.134 0.000 1.085 506 I CA 1.724 62.959 61.300 -0.108 0.000 1.347 506 I CB -0.474 37.460 38.000 -0.109 0.000 1.044 506 I HN 0.454 nan 8.210 nan 0.000 0.408 507 E N 1.504 121.470 120.200 -0.389 0.000 1.997 507 E HA -0.297 3.941 4.350 -0.187 0.000 0.201 507 E C 2.095 178.449 176.600 -0.410 0.000 1.011 507 E CA 1.668 57.768 56.400 -0.500 0.000 0.847 507 E CB 0.036 29.333 29.700 -0.673 0.000 0.787 507 E HN 0.114 nan 8.360 nan 0.000 0.472 508 K N -0.079 120.119 120.400 -0.336 0.000 2.228 508 K HA -0.131 4.077 4.320 -0.187 0.000 0.205 508 K C 1.987 178.521 176.600 -0.110 0.000 1.045 508 K CA 1.708 57.853 56.287 -0.236 0.000 0.931 508 K CB -0.551 31.822 32.500 -0.212 0.000 0.727 508 K HN 0.186 nan 8.250 nan 0.000 0.458 509 T N 0.238 114.771 114.554 -0.035 0.000 2.851 509 T HA 0.034 4.272 4.350 -0.187 0.000 0.262 509 T C 1.496 176.243 174.700 0.078 0.000 1.043 509 T CA 0.924 63.089 62.100 0.109 0.000 1.140 509 T CB -0.054 69.007 68.868 0.321 0.000 0.872 509 T HN 0.162 nan 8.240 nan 0.000 0.446 510 M N 1.129 120.749 119.600 0.034 0.000 2.629 510 M HA -0.015 4.354 4.480 -0.187 0.000 0.257 510 M C 1.776 178.148 176.300 0.119 0.000 1.071 510 M CA 1.163 56.486 55.300 0.039 0.000 1.077 510 M CB -0.301 32.362 32.600 0.105 0.000 1.423 510 M HN 0.273 nan 8.290 nan 0.000 0.508 511 Q N -0.613 119.217 119.800 0.050 0.000 2.319 511 Q HA 0.094 4.322 4.340 -0.187 0.000 0.202 511 Q C 1.114 177.239 176.000 0.208 0.000 0.896 511 Q CA 0.196 56.039 55.803 0.067 0.000 0.942 511 Q CB 0.509 29.178 28.738 -0.115 0.000 1.083 511 Q HN 0.526 nan 8.270 nan 0.000 0.510 512 N N -0.688 118.175 118.700 0.271 0.000 2.332 512 N HA 0.076 4.704 4.740 -0.187 0.000 0.190 512 N C -0.327 175.341 175.510 0.263 0.000 1.117 512 N CA 0.300 53.556 53.050 0.343 0.000 0.883 512 N CB 1.492 40.171 38.487 0.320 0.000 1.089 512 N HN -0.085 nan 8.380 nan 0.000 0.480 513 V N 2.664 122.668 119.914 0.151 0.000 2.407 513 V HA 0.245 4.253 4.120 -0.187 0.000 0.278 513 V C 0.163 176.203 176.094 -0.091 0.000 1.037 513 V CA -0.586 61.703 62.300 -0.019 0.000 0.900 513 V CB 1.623 33.382 31.823 -0.106 0.000 0.983 513 V HN -0.054 nan 8.190 nan 0.000 0.459 514 K N 2.953 123.218 120.400 -0.224 0.000 2.183 514 K HA 0.375 4.583 4.320 -0.187 0.000 0.274 514 K C -0.012 176.534 176.600 -0.090 0.000 1.009 514 K CA -0.695 55.421 56.287 -0.284 0.000 0.888 514 K CB 1.134 33.347 32.500 -0.478 0.000 1.078 514 K HN 0.806 nan 8.250 nan 0.000 0.459 515 H N 4.172 123.175 119.070 -0.111 0.000 3.092 515 H HA -0.070 4.374 4.556 -0.186 0.000 0.332 515 H C -1.316 173.950 175.328 -0.104 0.000 1.029 515 H CA -0.752 55.276 56.048 -0.033 0.000 1.376 515 H CB 0.951 30.718 29.762 0.009 0.000 1.329 515 H HN 0.433 nan 8.280 nan 0.000 0.598 516 P HA -0.163 nan 4.420 nan 0.000 0.217 516 P C 1.165 178.500 177.300 0.058 0.000 1.151 516 P CA 1.020 64.125 63.100 0.007 0.000 0.828 516 P CB 0.340 31.923 31.700 -0.195 0.000 0.788 517 V N -0.025 119.994 119.914 0.175 0.000 2.283 517 V HA -0.033 3.976 4.120 -0.187 0.000 0.239 517 V C 1.249 177.230 176.094 -0.188 0.000 1.035 517 V CA 1.629 63.883 62.300 -0.075 0.000 1.018 517 V CB -1.678 30.067 31.823 -0.131 0.000 0.658 517 V HN 0.091 nan 8.190 nan 0.000 0.459 518 T N 1.063 115.367 114.554 -0.416 0.000 2.901 518 T HA 0.300 4.538 4.350 -0.187 0.000 0.301 518 T C 1.189 175.812 174.700 -0.130 0.000 1.012 518 T CA 0.476 62.411 62.100 -0.275 0.000 1.135 518 T CB 1.299 69.962 68.868 -0.341 0.000 0.936 518 T HN 0.499 nan 8.240 nan 0.000 0.539 519 G N 2.315 111.057 108.800 -0.097 0.000 2.679 519 G HA2 -0.038 3.810 3.960 -0.187 0.000 0.212 519 G HA3 -0.038 3.810 3.960 -0.187 0.000 0.212 519 G C 0.531 175.365 174.900 -0.109 0.000 1.137 519 G CA 0.216 45.259 45.100 -0.094 0.000 0.787 519 G HN 0.642 nan 8.290 nan 0.000 0.534 520 Q N -0.668 119.102 119.800 -0.050 0.000 2.317 520 Q HA 0.408 4.636 4.340 -0.187 0.000 0.229 520 Q C -0.622 175.391 176.000 0.021 0.000 0.984 520 Q CA -0.762 55.060 55.803 0.032 0.000 0.911 520 Q CB 0.941 29.735 28.738 0.093 0.000 1.217 520 Q HN 0.234 nan 8.270 nan 0.000 0.501 521 F N 0.479 120.455 119.950 0.043 0.000 2.444 521 F HA -0.007 4.408 4.527 -0.187 0.000 0.331 521 F C 1.438 177.269 175.800 0.052 0.000 1.167 521 F CA -0.041 57.987 58.000 0.047 0.000 1.262 521 F CB 0.220 39.258 39.000 0.064 0.000 1.196 521 F HN 0.461 nan 8.300 nan 0.000 0.583 522 L N 0.716 122.047 121.223 0.181 0.000 2.083 522 L HA -0.199 4.029 4.340 -0.187 0.000 0.209 522 L C 0.537 177.506 176.870 0.164 0.000 1.083 522 L CA 0.845 55.709 54.840 0.039 0.000 0.752 522 L CB -0.429 41.455 42.059 -0.292 0.000 0.899 522 L HN 0.471 nan 8.230 nan 0.000 0.433 523 Y N 2.187 122.533 120.300 0.078 0.000 2.496 523 Y HA 0.023 4.462 4.550 -0.185 0.000 0.334 523 Y C 0.487 176.424 175.900 0.061 0.000 1.080 523 Y CA -0.754 57.381 58.100 0.059 0.000 1.355 523 Y CB -0.010 38.467 38.460 0.029 0.000 1.193 523 Y HN 0.097 nan 8.280 nan 0.000 0.523 524 Q N 5.921 125.475 119.800 -0.410 0.000 2.381 524 Q HA -0.062 4.166 4.340 -0.187 0.000 0.243 524 Q C 0.772 176.392 176.000 -0.634 0.000 1.154 524 Q CA -0.054 55.523 55.803 -0.378 0.000 0.899 524 Q CB 0.348 28.950 28.738 -0.227 0.000 1.396 524 Q HN 0.789 nan 8.270 nan 0.000 0.485 525 D N 0.949 121.120 120.400 -0.382 0.000 2.357 525 D HA -0.124 4.404 4.640 -0.187 0.000 0.216 525 D C 1.258 177.463 176.300 -0.158 0.000 0.973 525 D CA 1.092 54.939 54.000 -0.254 0.000 0.912 525 D CB 0.384 41.131 40.800 -0.087 0.000 0.900 525 D HN 0.495 nan 8.370 nan 0.000 0.501 526 S N -0.473 115.137 115.700 -0.150 0.000 2.603 526 S HA 0.023 4.381 4.470 -0.187 0.000 0.220 526 S C 0.700 175.277 174.600 -0.038 0.000 0.967 526 S CA -0.304 57.857 58.200 -0.064 0.000 0.920 526 S CB 0.271 63.443 63.200 -0.047 0.000 0.773 526 S HN 0.067 nan 8.310 nan 0.000 0.529 527 N N 0.708 119.348 118.700 -0.100 0.000 2.545 527 N HA 0.393 5.021 4.740 -0.187 0.000 0.289 527 N C 0.092 175.665 175.510 0.104 0.000 1.279 527 N CA -0.576 52.450 53.050 -0.041 0.000 0.824 527 N CB 0.807 39.205 38.487 -0.149 0.000 1.395 527 N HN 0.558 nan 8.380 nan 0.000 0.526 528 W N -1.620 119.734 121.300 0.090 0.000 2.592 528 W HA 0.552 5.100 4.660 -0.188 0.000 0.306 528 W C -0.945 175.689 176.519 0.191 0.000 0.991 528 W CA -0.339 57.094 57.345 0.148 0.000 1.430 528 W CB 0.323 29.839 29.460 0.093 0.000 1.017 528 W HN 0.399 nan 8.180 nan 0.000 0.557 529 A N 2.550 124.902 122.820 -0.781 0.000 2.409 529 A HA 0.602 4.810 4.320 -0.187 0.000 0.300 529 A C -0.188 177.238 177.584 -0.263 0.000 1.273 529 A CA -0.296 51.289 52.037 -0.752 0.000 0.774 529 A CB 0.607 18.729 19.000 -1.463 0.000 1.144 529 A HN 0.039 nan 8.150 nan 0.000 0.472 530 S N 1.201 116.949 115.700 0.080 0.000 2.624 530 S HA 0.346 4.704 4.470 -0.187 0.000 0.263 530 S C 0.269 174.929 174.600 0.100 0.000 1.287 530 S CA -0.534 57.757 58.200 0.152 0.000 0.990 530 S CB 0.882 64.258 63.200 0.294 0.000 0.950 530 S HN 0.713 nan 8.310 nan 0.000 0.561 531 K N 1.219 121.660 120.400 0.069 0.000 2.211 531 K HA 0.505 4.713 4.320 -0.187 0.000 0.275 531 K C -1.635 174.988 176.600 0.039 0.000 1.024 531 K CA -0.412 55.888 56.287 0.023 0.000 0.887 531 K CB 0.528 33.023 32.500 -0.009 0.000 1.084 531 K HN 0.370 nan 8.250 nan 0.000 0.463 532 V N 3.749 123.673 119.914 0.016 0.000 2.588 532 V HA 0.270 4.278 4.120 -0.187 0.000 0.304 532 V C -0.420 175.623 176.094 -0.085 0.000 1.042 532 V CA -0.895 61.398 62.300 -0.011 0.000 0.877 532 V CB 1.621 33.474 31.823 0.049 0.000 0.996 532 V HN 0.868 nan 8.190 nan 0.000 0.425 533 E N 2.678 122.810 120.200 -0.112 0.000 2.283 533 E HA 0.461 4.699 4.350 -0.187 0.000 0.271 533 E C -0.532 175.950 176.600 -0.196 0.000 1.031 533 E CA -0.754 55.563 56.400 -0.137 0.000 0.868 533 E CB 1.236 30.860 29.700 -0.127 0.000 1.094 533 E HN 0.547 nan 8.360 nan 0.000 0.401 534 K N 1.998 122.278 120.400 -0.200 0.000 2.237 534 K HA 0.201 4.409 4.320 -0.187 0.000 0.270 534 K C -0.539 175.940 176.600 -0.202 0.000 1.015 534 K CA -0.651 55.480 56.287 -0.260 0.000 0.949 534 K CB 0.552 32.951 32.500 -0.169 0.000 0.976 534 K HN 0.303 nan 8.250 nan 0.000 0.472 535 L N 2.807 123.918 121.223 -0.186 0.000 2.380 535 L HA 0.142 4.370 4.340 -0.187 0.000 0.273 535 L C 0.668 177.440 176.870 -0.164 0.000 1.138 535 L CA 0.242 55.030 54.840 -0.086 0.000 0.832 535 L CB 0.327 42.425 42.059 0.065 0.000 1.124 535 L HN 0.809 nan 8.230 nan 0.000 0.454 536 T N -0.119 114.276 114.554 -0.265 0.000 2.928 536 T HA 0.263 4.501 4.350 -0.187 0.000 0.284 536 T C 1.338 175.588 174.700 -0.749 0.000 1.008 536 T CA -0.897 60.918 62.100 -0.476 0.000 1.057 536 T CB 1.751 70.432 68.868 -0.311 0.000 1.018 536 T HN 0.341 nan 8.240 nan 0.000 0.493 537 L N 1.440 122.063 121.223 -1.001 0.000 2.270 537 L HA -0.110 4.118 4.340 -0.187 0.000 0.217 537 L C 1.350 177.961 176.870 -0.432 0.000 1.107 537 L CA 2.032 56.296 54.840 -0.960 0.000 0.772 537 L CB -1.044 40.631 42.059 -0.640 0.000 0.902 537 L HN 0.926 nan 8.230 nan 0.000 0.439 538 D N -1.895 118.317 120.400 -0.312 0.000 2.722 538 D HA -0.013 4.516 4.640 -0.187 0.000 0.239 538 D C 0.106 176.367 176.300 -0.066 0.000 1.249 538 D CA -0.199 53.709 54.000 -0.154 0.000 0.830 538 D CB -0.387 40.334 40.800 -0.133 0.000 1.025 538 D HN 0.377 nan 8.370 nan 0.000 0.486 539 N N -0.124 118.558 118.700 -0.031 0.000 2.480 539 N HA 0.352 4.980 4.740 -0.187 0.000 0.289 539 N C 0.930 176.519 175.510 0.132 0.000 1.073 539 N CA -0.453 52.621 53.050 0.040 0.000 0.885 539 N CB 1.596 40.087 38.487 0.007 0.000 1.421 539 N HN -0.029 nan 8.380 nan 0.000 0.503 540 A N 3.041 125.938 122.820 0.128 0.000 2.023 540 A HA -0.264 3.944 4.320 -0.187 0.000 0.223 540 A C 2.057 179.777 177.584 0.228 0.000 1.180 540 A CA 2.390 54.508 52.037 0.135 0.000 0.659 540 A CB -0.712 18.360 19.000 0.120 0.000 0.817 540 A HN 0.766 nan 8.150 nan 0.000 0.466 541 A N -1.560 121.431 122.820 0.284 0.000 1.968 541 A HA 0.071 4.279 4.320 -0.187 0.000 0.217 541 A C 1.932 179.680 177.584 0.274 0.000 1.169 541 A CA 1.382 53.624 52.037 0.342 0.000 0.638 541 A CB -0.631 18.498 19.000 0.216 0.000 0.812 541 A HN 0.716 nan 8.150 nan 0.000 0.446 542 F N 1.607 121.594 119.950 0.062 0.000 2.065 542 F HA -0.121 4.295 4.527 -0.184 0.000 0.298 542 F C -0.701 175.152 175.800 0.088 0.000 1.112 542 F CA 2.177 60.176 58.000 -0.003 0.000 1.212 542 F CB -1.313 37.608 39.000 -0.131 0.000 0.975 542 F HN 0.157 nan 8.300 nan 0.000 0.476 543 P HA -0.196 nan 4.420 nan 0.000 0.215 543 P C 1.789 179.140 177.300 0.085 0.000 1.157 543 P CA 1.827 64.972 63.100 0.075 0.000 0.868 543 P CB -0.310 31.453 31.700 0.105 0.000 0.788 544 F N -1.158 118.750 119.950 -0.070 0.000 2.154 544 F HA -0.179 4.234 4.527 -0.190 0.000 0.301 544 F C 2.128 177.944 175.800 0.026 0.000 1.087 544 F CA 1.355 59.323 58.000 -0.053 0.000 1.274 544 F CB -0.943 37.947 39.000 -0.182 0.000 1.009 544 F HN -0.112 nan 8.300 nan 0.000 0.485 545 L N -0.619 120.705 121.223 0.168 0.000 2.221 545 L HA 0.279 4.507 4.340 -0.187 0.000 0.202 545 L C 2.118 178.976 176.870 -0.020 0.000 1.074 545 L CA 1.692 56.577 54.840 0.074 0.000 0.795 545 L CB -1.008 41.066 42.059 0.025 0.000 0.960 545 L HN -0.065 nan 8.230 nan 0.000 0.458 546 A N -2.042 120.662 122.820 -0.193 0.000 2.123 546 A HA -0.067 4.141 4.320 -0.187 0.000 0.214 546 A C 1.919 179.634 177.584 0.218 0.000 1.152 546 A CA 1.263 53.220 52.037 -0.133 0.000 0.728 546 A CB -0.567 17.892 19.000 -0.902 0.000 0.814 546 A HN 0.650 nan 8.150 nan 0.000 0.464 547 Y N -1.119 119.216 120.300 0.058 0.000 2.664 547 Y HA 0.203 4.643 4.550 -0.184 0.000 0.278 547 Y C 2.045 177.971 175.900 0.042 0.000 1.130 547 Y CA 1.125 59.258 58.100 0.055 0.000 1.260 547 Y CB 0.312 38.766 38.460 -0.010 0.000 1.369 547 Y HN 0.150 nan 8.280 nan 0.000 0.499 548 S N -0.183 115.501 115.700 -0.028 0.000 2.535 548 S HA 0.229 4.587 4.470 -0.187 0.000 0.214 548 S C 1.242 175.924 174.600 0.137 0.000 0.980 548 S CA 0.580 58.725 58.200 -0.092 0.000 0.907 548 S CB -0.015 63.110 63.200 -0.125 0.000 0.790 548 S HN 0.799 nan 8.310 nan 0.000 0.510 549 G N 2.166 111.079 108.800 0.189 0.000 2.221 549 G HA2 -0.208 3.640 3.960 -0.187 0.000 0.265 549 G HA3 -0.208 3.640 3.960 -0.187 0.000 0.265 549 G C -0.168 174.904 174.900 0.287 0.000 1.041 549 G CA -0.172 45.099 45.100 0.285 0.000 0.807 549 G HN 0.414 nan 8.290 nan 0.000 0.502 550 I N 1.365 122.095 120.570 0.267 0.000 2.354 550 I HA 0.340 4.398 4.170 -0.187 0.000 0.292 550 I C -1.804 174.482 176.117 0.282 0.000 0.989 550 I CA -3.134 58.349 61.300 0.305 0.000 1.188 550 I CB 1.297 39.542 38.000 0.408 0.000 1.342 550 I HN -0.066 nan 8.210 nan 0.000 0.457 551 P HA 0.245 nan 4.420 nan 0.000 0.271 551 P C -0.912 176.493 177.300 0.175 0.000 1.216 551 P CA -0.161 63.064 63.100 0.208 0.000 0.771 551 P CB 1.317 33.148 31.700 0.218 0.000 0.864 552 A N 3.386 126.276 122.820 0.116 0.000 2.455 552 A HA 0.555 4.763 4.320 -0.187 0.000 0.300 552 A C -0.940 176.647 177.584 0.004 0.000 1.040 552 A CA -0.760 51.333 52.037 0.093 0.000 0.697 552 A CB 1.811 20.941 19.000 0.216 0.000 1.265 552 A HN 0.417 nan 8.150 nan 0.000 0.407 553 V N 1.334 121.231 119.914 -0.028 0.000 2.966 553 V HA 0.907 4.915 4.120 -0.187 0.000 0.317 553 V C 0.081 176.140 176.094 -0.059 0.000 1.070 553 V CA 0.270 62.564 62.300 -0.010 0.000 1.008 553 V CB 2.147 34.025 31.823 0.091 0.000 1.070 553 V HN 1.481 nan 8.190 nan 0.000 0.457 554 S N 3.761 119.421 115.700 -0.067 0.000 2.441 554 S HA 0.373 4.731 4.470 -0.187 0.000 0.187 554 S C -0.910 173.546 174.600 -0.241 0.000 0.917 554 S CA -0.706 57.360 58.200 -0.224 0.000 1.078 554 S CB -0.108 62.992 63.200 -0.166 0.000 1.379 554 S HN 0.870 nan 8.310 nan 0.000 0.399 555 F N 1.563 121.423 119.950 -0.150 0.000 2.368 555 F HA 0.904 5.318 4.527 -0.188 0.000 0.315 555 F C 0.258 175.869 175.800 -0.315 0.000 1.145 555 F CA -1.371 56.421 58.000 -0.346 0.000 1.095 555 F CB 0.316 39.085 39.000 -0.385 0.000 1.286 555 F HN 0.455 nan 8.300 nan 0.000 0.530 556 C N 2.521 121.718 119.300 -0.172 0.000 2.871 556 C HA 0.439 4.787 4.460 -0.187 0.000 0.378 556 C C -0.712 174.237 174.990 -0.069 0.000 1.052 556 C CA -1.104 57.880 59.018 -0.057 0.000 1.250 556 C CB -0.450 27.230 27.740 -0.101 0.000 1.689 556 C HN 0.830 nan 8.230 nan 0.000 0.506 557 F N 4.659 124.713 119.950 0.173 0.000 2.783 557 F HA 0.236 4.651 4.527 -0.186 0.000 0.338 557 F C 1.665 177.526 175.800 0.101 0.000 1.178 557 F CA -0.053 58.063 58.000 0.194 0.000 1.343 557 F CB -0.287 38.800 39.000 0.145 0.000 1.496 557 F HN 0.675 nan 8.300 nan 0.000 0.583 558 C N 0.740 120.135 119.300 0.157 0.000 2.883 558 C HA 0.023 4.371 4.460 -0.187 0.000 0.347 558 C C 0.737 175.798 174.990 0.117 0.000 1.361 558 C CA -0.067 59.010 59.018 0.099 0.000 2.102 558 C CB 0.097 27.846 27.740 0.014 0.000 2.496 558 C HN 0.439 nan 8.230 nan 0.000 0.758 559 E N -0.189 120.056 120.200 0.075 0.000 2.393 559 E HA 0.204 4.442 4.350 -0.187 0.000 0.273 559 E C 0.051 176.663 176.600 0.020 0.000 0.918 559 E CA -0.433 56.004 56.400 0.062 0.000 0.773 559 E CB 1.178 30.912 29.700 0.057 0.000 1.275 559 E HN 0.512 nan 8.360 nan 0.000 0.451 560 D N -0.007 120.400 120.400 0.013 0.000 2.190 560 D HA -0.084 4.444 4.640 -0.187 0.000 0.200 560 D C -0.021 176.256 176.300 -0.038 0.000 0.992 560 D CA 1.483 55.478 54.000 -0.008 0.000 0.854 560 D CB 0.208 41.006 40.800 -0.003 0.000 0.936 560 D HN 0.128 nan 8.370 nan 0.000 0.462 561 T N 0.917 115.441 114.554 -0.051 0.000 2.797 561 T HA 0.314 4.552 4.350 -0.187 0.000 0.279 561 T C -0.855 173.787 174.700 -0.097 0.000 0.991 561 T CA -1.041 60.995 62.100 -0.107 0.000 0.979 561 T CB 1.520 70.306 68.868 -0.136 0.000 0.943 561 T HN 0.009 nan 8.240 nan 0.000 0.444 562 D N 1.078 121.399 120.400 -0.132 0.000 2.414 562 D HA 0.053 4.581 4.640 -0.187 0.000 0.242 562 D C -0.166 176.128 176.300 -0.010 0.000 1.129 562 D CA -0.490 53.481 54.000 -0.049 0.000 0.885 562 D CB 0.204 40.977 40.800 -0.044 0.000 1.198 562 D HN 0.461 nan 8.370 nan 0.000 0.437 563 Y N 2.643 122.910 120.300 -0.054 0.000 2.895 563 Y HA -0.034 4.404 4.550 -0.186 0.000 0.334 563 Y C -1.085 174.823 175.900 0.013 0.000 1.261 563 Y CA -0.804 57.260 58.100 -0.061 0.000 1.560 563 Y CB 0.653 39.105 38.460 -0.015 0.000 1.253 563 Y HN 0.400 nan 8.280 nan 0.000 0.582 564 P HA -0.171 nan 4.420 nan 0.000 0.215 564 P C 0.946 178.423 177.300 0.296 0.000 1.160 564 P CA 1.678 64.876 63.100 0.164 0.000 0.869 564 P CB -0.074 31.619 31.700 -0.011 0.000 0.782 565 Y N -0.709 119.653 120.300 0.103 0.000 2.651 565 Y HA -0.123 4.315 4.550 -0.187 0.000 0.296 565 Y C 2.501 178.626 175.900 0.376 0.000 1.150 565 Y CA -0.924 57.314 58.100 0.230 0.000 1.348 565 Y CB -0.820 37.776 38.460 0.226 0.000 0.983 565 Y HN -0.141 nan 8.280 nan 0.000 0.555 566 L N 0.747 122.332 121.223 0.603 0.000 2.012 566 L HA -0.263 3.965 4.340 -0.187 0.000 0.236 566 L C 2.334 179.411 176.870 0.345 0.000 1.099 566 L CA 2.400 57.495 54.840 0.426 0.000 0.821 566 L CB -1.168 41.094 42.059 0.339 0.000 0.918 566 L HN 0.232 nan 8.230 nan 0.000 0.445 567 G N -2.378 106.608 108.800 0.310 0.000 3.327 567 G HA2 0.177 4.025 3.960 -0.187 0.000 0.240 567 G HA3 0.177 4.025 3.960 -0.187 0.000 0.240 567 G C 0.352 175.516 174.900 0.440 0.000 1.222 567 G CA 0.690 45.986 45.100 0.327 0.000 0.871 567 G HN 0.413 nan 8.290 nan 0.000 0.525 568 T N -1.748 113.087 114.554 0.468 0.000 2.907 568 T HA 0.381 4.619 4.350 -0.187 0.000 0.290 568 T C 1.804 176.778 174.700 0.457 0.000 1.066 568 T CA 0.390 62.818 62.100 0.548 0.000 1.012 568 T CB 1.345 70.469 68.868 0.426 0.000 1.184 568 T HN 0.081 nan 8.240 nan 0.000 0.522 569 T N 0.756 115.544 114.554 0.391 0.000 3.118 569 T HA -0.039 4.199 4.350 -0.187 0.000 0.269 569 T C 1.526 176.290 174.700 0.108 0.000 1.166 569 T CA 1.026 63.218 62.100 0.153 0.000 1.073 569 T CB -0.461 68.433 68.868 0.044 0.000 0.884 569 T HN 0.539 nan 8.240 nan 0.000 0.550 570 M N 0.885 120.564 119.600 0.131 0.000 2.428 570 M HA 0.174 4.542 4.480 -0.187 0.000 0.239 570 M C 0.817 177.201 176.300 0.141 0.000 1.121 570 M CA 0.109 55.401 55.300 -0.013 0.000 1.019 570 M CB 0.235 32.655 32.600 -0.300 0.000 1.485 570 M HN -0.043 nan 8.290 nan 0.000 0.484 571 D N 2.134 122.707 120.400 0.288 0.000 2.924 571 D HA -0.022 4.506 4.640 -0.187 0.000 0.239 571 D C -0.125 176.332 176.300 0.260 0.000 1.198 571 D CA 0.215 54.435 54.000 0.367 0.000 0.958 571 D CB -0.195 40.791 40.800 0.310 0.000 1.169 571 D HN 0.308 nan 8.370 nan 0.000 0.438 572 T N -2.614 112.075 114.554 0.225 0.000 2.904 572 T HA 0.037 4.275 4.350 -0.187 0.000 0.290 572 T C 1.251 176.083 174.700 0.221 0.000 1.018 572 T CA -0.768 61.446 62.100 0.190 0.000 1.075 572 T CB 0.986 69.931 68.868 0.129 0.000 0.986 572 T HN 0.197 nan 8.240 nan 0.000 0.523 573 Y N 1.662 122.030 120.300 0.115 0.000 2.403 573 Y HA -0.002 4.436 4.550 -0.187 0.000 0.291 573 Y C 2.133 178.102 175.900 0.115 0.000 1.143 573 Y CA 1.305 59.470 58.100 0.109 0.000 1.257 573 Y CB -0.217 38.292 38.460 0.082 0.000 0.984 573 Y HN 0.662 nan 8.280 nan 0.000 0.550 574 K N -0.033 120.412 120.400 0.075 0.000 1.974 574 K HA -0.121 4.087 4.320 -0.187 0.000 0.211 574 K C 1.884 178.483 176.600 -0.001 0.000 1.039 574 K CA 1.202 57.489 56.287 -0.000 0.000 0.947 574 K CB -0.242 32.311 32.500 0.088 0.000 0.735 574 K HN 0.137 nan 8.250 nan 0.000 0.441 575 E N 1.300 121.554 120.200 0.091 0.000 2.339 575 E HA -0.211 4.027 4.350 -0.187 0.000 0.201 575 E C 1.869 178.619 176.600 0.250 0.000 1.015 575 E CA 0.761 57.273 56.400 0.186 0.000 0.841 575 E CB -0.190 29.627 29.700 0.195 0.000 0.754 575 E HN 0.161 nan 8.360 nan 0.000 0.508 576 L N 0.456 121.793 121.223 0.191 0.000 1.982 576 L HA -0.000 4.228 4.340 -0.187 0.000 0.206 576 L C 2.300 179.190 176.870 0.033 0.000 1.078 576 L CA 1.301 56.263 54.840 0.203 0.000 0.749 576 L CB -0.598 41.533 42.059 0.120 0.000 0.894 576 L HN 0.063 nan 8.230 nan 0.000 0.436 577 I N -0.529 119.939 120.570 -0.171 0.000 2.657 577 I HA -0.280 3.778 4.170 -0.187 0.000 0.261 577 I C 2.241 178.313 176.117 -0.074 0.000 1.212 577 I CA 1.334 62.521 61.300 -0.187 0.000 1.453 577 I CB -0.098 37.648 38.000 -0.423 0.000 1.092 577 I HN 0.576 nan 8.210 nan 0.000 0.452 578 E N 0.624 120.806 120.200 -0.031 0.000 2.285 578 E HA -0.127 4.111 4.350 -0.187 0.000 0.194 578 E C 1.705 178.319 176.600 0.024 0.000 0.997 578 E CA 0.399 56.805 56.400 0.009 0.000 0.845 578 E CB 0.218 29.941 29.700 0.039 0.000 0.782 578 E HN 0.475 nan 8.360 nan 0.000 0.491 579 R N -0.212 120.309 120.500 0.035 0.000 2.432 579 R HA 0.314 4.542 4.340 -0.187 0.000 0.260 579 R C 0.538 176.859 176.300 0.035 0.000 0.935 579 R CA 0.047 56.162 56.100 0.024 0.000 1.080 579 R CB 0.835 31.128 30.300 -0.012 0.000 1.155 579 R HN 0.082 nan 8.270 nan 0.000 0.531 580 I N 0.032 120.619 120.570 0.028 0.000 2.719 580 I HA 0.156 4.214 4.170 -0.187 0.000 0.319 580 I C -2.311 173.808 176.117 0.003 0.000 1.522 580 I CA -1.697 59.620 61.300 0.027 0.000 0.785 580 I CB 1.201 39.234 38.000 0.054 0.000 2.022 580 I HN -0.140 nan 8.210 nan 0.000 0.579 581 P HA -0.282 nan 4.420 nan 0.000 0.232 581 P C 0.660 177.957 177.300 -0.006 0.000 1.135 581 P CA 1.886 64.982 63.100 -0.007 0.000 0.969 581 P CB -0.012 31.686 31.700 -0.003 0.000 0.777 582 E N -0.431 119.764 120.200 -0.008 0.000 2.349 582 E HA 0.035 4.273 4.350 -0.187 0.000 0.201 582 E C 1.426 178.018 176.600 -0.012 0.000 1.087 582 E CA -0.298 56.094 56.400 -0.013 0.000 1.128 582 E CB -0.873 28.811 29.700 -0.026 0.000 1.188 582 E HN 0.174 nan 8.360 nan 0.000 0.445 583 L N 1.434 122.659 121.223 0.003 0.000 2.151 583 L HA -0.315 3.913 4.340 -0.187 0.000 0.215 583 L C 1.774 178.677 176.870 0.055 0.000 1.084 583 L CA 2.255 57.109 54.840 0.023 0.000 0.764 583 L CB -0.873 41.207 42.059 0.035 0.000 0.891 583 L HN 0.217 nan 8.230 nan 0.000 0.435 584 N N -0.814 117.919 118.700 0.055 0.000 2.039 584 N HA -0.198 4.430 4.740 -0.187 0.000 0.193 584 N C 1.829 177.348 175.510 0.014 0.000 1.044 584 N CA 1.443 54.529 53.050 0.061 0.000 0.847 584 N CB -0.080 38.411 38.487 0.008 0.000 1.030 584 N HN 0.165 nan 8.380 nan 0.000 0.422 585 K N 0.285 120.661 120.400 -0.041 0.000 2.063 585 K HA -0.085 4.123 4.320 -0.187 0.000 0.208 585 K C 2.015 178.549 176.600 -0.110 0.000 1.048 585 K CA 0.856 57.096 56.287 -0.079 0.000 0.928 585 K CB -0.784 31.666 32.500 -0.083 0.000 0.713 585 K HN 0.137 nan 8.250 nan 0.000 0.442 586 V N 1.459 121.282 119.914 -0.151 0.000 2.233 586 V HA -0.270 3.738 4.120 -0.187 0.000 0.247 586 V C 2.522 178.494 176.094 -0.204 0.000 1.050 586 V CA 2.143 64.232 62.300 -0.351 0.000 1.010 586 V CB -1.040 30.601 31.823 -0.304 0.000 0.637 586 V HN 0.312 nan 8.190 nan 0.000 0.444 587 A N 0.378 123.215 122.820 0.028 0.000 1.948 587 A HA -0.307 3.901 4.320 -0.187 0.000 0.220 587 A C 2.415 180.206 177.584 0.344 0.000 1.177 587 A CA 2.278 54.426 52.037 0.185 0.000 0.636 587 A CB -0.682 18.488 19.000 0.283 0.000 0.815 587 A HN 0.451 nan 8.150 nan 0.000 0.449 588 R N 0.164 120.911 120.500 0.410 0.000 2.080 588 R HA -0.154 4.074 4.340 -0.187 0.000 0.236 588 R C 2.265 178.691 176.300 0.210 0.000 1.137 588 R CA 2.019 58.368 56.100 0.415 0.000 0.943 588 R CB -0.986 29.314 30.300 -0.001 0.000 0.846 588 R HN 0.425 nan 8.270 nan 0.000 0.431 589 A N 1.079 123.925 122.820 0.044 0.000 1.859 589 A HA -0.150 4.058 4.320 -0.187 0.000 0.217 589 A C 2.525 180.180 177.584 0.118 0.000 1.198 589 A CA 2.498 54.553 52.037 0.030 0.000 0.629 589 A CB -1.117 17.844 19.000 -0.066 0.000 0.830 589 A HN 0.571 nan 8.150 nan 0.000 0.446 590 A N -0.289 122.701 122.820 0.283 0.000 1.917 590 A HA 0.043 4.251 4.320 -0.187 0.000 0.219 590 A C 2.460 180.104 177.584 0.100 0.000 1.182 590 A CA 2.516 54.701 52.037 0.247 0.000 0.633 590 A CB -1.076 18.231 19.000 0.512 0.000 0.819 590 A HN 1.279 nan 8.150 nan 0.000 0.448 591 A N -0.938 121.964 122.820 0.138 0.000 2.121 591 A HA -0.047 4.161 4.320 -0.187 0.000 0.218 591 A C 1.910 179.557 177.584 0.105 0.000 1.154 591 A CA 1.656 53.759 52.037 0.110 0.000 0.679 591 A CB -0.364 18.684 19.000 0.081 0.000 0.795 591 A HN 0.737 nan 8.150 nan 0.000 0.458 592 E N 0.050 120.276 120.200 0.042 0.000 2.075 592 E HA -0.092 4.146 4.350 -0.187 0.000 0.190 592 E C 1.977 178.520 176.600 -0.094 0.000 0.969 592 E CA 1.265 57.663 56.400 -0.004 0.000 0.815 592 E CB -0.145 29.541 29.700 -0.023 0.000 0.776 592 E HN 0.439 nan 8.360 nan 0.000 0.457 593 V N -0.339 119.399 119.914 -0.294 0.000 2.407 593 V HA -0.145 3.863 4.120 -0.187 0.000 0.248 593 V C 2.333 177.986 176.094 -0.735 0.000 1.055 593 V CA 1.773 63.735 62.300 -0.563 0.000 1.049 593 V CB -1.101 30.182 31.823 -0.901 0.000 0.662 593 V HN 0.327 nan 8.190 nan 0.000 0.455 594 A N 1.318 123.891 122.820 -0.411 0.000 1.902 594 A HA 0.060 4.268 4.320 -0.187 0.000 0.217 594 A C 2.406 180.043 177.584 0.088 0.000 1.181 594 A CA 2.051 54.061 52.037 -0.045 0.000 0.623 594 A CB -1.529 17.635 19.000 0.273 0.000 0.818 594 A HN 0.727 nan 8.150 nan 0.000 0.443 595 G N -1.010 107.897 108.800 0.178 0.000 2.433 595 G HA2 -0.232 3.616 3.960 -0.187 0.000 0.216 595 G HA3 -0.232 3.616 3.960 -0.187 0.000 0.216 595 G C 1.617 176.787 174.900 0.451 0.000 1.186 595 G CA 0.960 46.326 45.100 0.443 0.000 0.779 595 G HN 0.602 nan 8.290 nan 0.000 0.543 596 Q N -0.724 119.266 119.800 0.316 0.000 2.096 596 Q HA -0.112 4.116 4.340 -0.187 0.000 0.204 596 Q C 2.420 178.724 176.000 0.507 0.000 0.982 596 Q CA 1.056 57.142 55.803 0.472 0.000 0.850 596 Q CB -0.274 28.755 28.738 0.486 0.000 0.901 596 Q HN 0.429 nan 8.270 nan 0.000 0.422 597 F N 0.173 120.238 119.950 0.192 0.000 2.063 597 F HA -0.259 4.156 4.527 -0.185 0.000 0.298 597 F C 2.376 178.254 175.800 0.130 0.000 1.109 597 F CA 0.907 58.983 58.000 0.127 0.000 1.212 597 F CB -1.210 37.858 39.000 0.114 0.000 0.973 597 F HN -0.097 nan 8.300 nan 0.000 0.480 598 V N 0.485 120.596 119.914 0.329 0.000 2.261 598 V HA -0.299 3.710 4.120 -0.187 0.000 0.246 598 V C 2.473 178.740 176.094 0.288 0.000 1.047 598 V CA 1.854 64.234 62.300 0.133 0.000 1.015 598 V CB -0.719 30.950 31.823 -0.257 0.000 0.642 598 V HN 0.254 nan 8.190 nan 0.000 0.446 599 I N -0.544 120.303 120.570 0.462 0.000 2.163 599 I HA -0.239 3.819 4.170 -0.187 0.000 0.243 599 I C 2.699 179.102 176.117 0.477 0.000 1.085 599 I CA 1.469 63.093 61.300 0.539 0.000 1.347 599 I CB -0.555 37.739 38.000 0.490 0.000 1.044 599 I HN 0.233 nan 8.210 nan 0.000 0.408 600 K N 1.002 121.622 120.400 0.368 0.000 2.032 600 K HA -0.100 4.108 4.320 -0.187 0.000 0.209 600 K C 1.990 178.687 176.600 0.161 0.000 1.048 600 K CA 1.446 57.837 56.287 0.174 0.000 0.927 600 K CB -0.666 31.835 32.500 0.002 0.000 0.712 600 K HN 0.359 nan 8.250 nan 0.000 0.441 601 L N 1.106 122.451 121.223 0.203 0.000 2.633 601 L HA -0.090 4.138 4.340 -0.187 0.000 0.235 601 L C 1.361 178.410 176.870 0.298 0.000 1.163 601 L CA 0.725 55.715 54.840 0.249 0.000 0.859 601 L CB -0.294 41.985 42.059 0.367 0.000 0.973 601 L HN 0.211 nan 8.230 nan 0.000 0.451 602 T N -4.284 110.441 114.554 0.285 0.000 3.177 602 T HA -0.052 4.186 4.350 -0.187 0.000 0.262 602 T C 1.596 176.459 174.700 0.272 0.000 0.959 602 T CA 0.059 62.325 62.100 0.277 0.000 0.996 602 T CB -0.163 68.889 68.868 0.306 0.000 1.185 602 T HN 0.353 nan 8.240 nan 0.000 0.486 603 H N 2.311 121.558 119.070 0.296 0.000 2.278 603 H HA -0.158 4.288 4.556 -0.184 0.000 0.287 603 H C -0.386 175.029 175.328 0.145 0.000 1.107 603 H CA 1.986 58.203 56.048 0.280 0.000 1.192 603 H CB -0.285 29.649 29.762 0.288 0.000 1.346 603 H HN 0.353 nan 8.280 nan 0.000 0.478 604 D N -0.374 119.795 120.400 -0.385 0.000 2.340 604 D HA 0.129 4.657 4.640 -0.187 0.000 0.251 604 D C 1.088 177.295 176.300 -0.156 0.000 1.080 604 D CA 0.189 53.936 54.000 -0.423 0.000 0.971 604 D CB 2.291 42.781 40.800 -0.517 0.000 1.137 604 D HN 0.119 nan 8.370 nan 0.000 0.475 605 V N 0.021 119.867 119.914 -0.113 0.000 2.871 605 V HA -0.065 3.943 4.120 -0.187 0.000 0.256 605 V C -0.167 175.900 176.094 -0.045 0.000 1.082 605 V CA 1.248 63.520 62.300 -0.046 0.000 1.105 605 V CB -0.402 31.414 31.823 -0.010 0.000 0.713 605 V HN 0.456 nan 8.190 nan 0.000 0.473 606 E N 1.769 121.910 120.200 -0.098 0.000 2.229 606 E HA 0.305 4.543 4.350 -0.187 0.000 0.283 606 E C -0.273 176.220 176.600 -0.179 0.000 1.030 606 E CA -0.354 55.966 56.400 -0.134 0.000 0.836 606 E CB 0.894 30.428 29.700 -0.278 0.000 1.068 606 E HN 0.146 nan 8.360 nan 0.000 0.401 607 L N 4.024 125.163 121.223 -0.141 0.000 2.485 607 L HA 0.100 4.328 4.340 -0.187 0.000 0.279 607 L C -0.670 176.092 176.870 -0.181 0.000 1.124 607 L CA 0.165 54.877 54.840 -0.213 0.000 0.888 607 L CB -0.310 41.616 42.059 -0.220 0.000 1.217 607 L HN 0.506 nan 8.230 nan 0.000 0.464 608 N N 7.253 125.848 118.700 -0.175 0.000 2.807 608 N HA 0.249 4.878 4.740 -0.187 0.000 0.259 608 N C -0.618 174.844 175.510 -0.080 0.000 1.149 608 N CA 0.066 53.026 53.050 -0.149 0.000 1.042 608 N CB 0.504 38.895 38.487 -0.160 0.000 1.367 608 N HN 0.560 nan 8.380 nan 0.000 0.516 609 L N 0.723 121.936 121.223 -0.017 0.000 2.365 609 L HA 0.327 4.555 4.340 -0.187 0.000 0.273 609 L C -0.153 176.727 176.870 0.017 0.000 1.000 609 L CA -0.917 53.953 54.840 0.050 0.000 0.819 609 L CB 2.024 44.173 42.059 0.151 0.000 1.284 609 L HN 0.086 nan 8.230 nan 0.000 0.418 610 D N 1.748 122.138 120.400 -0.017 0.000 2.671 610 D HA 0.018 4.546 4.640 -0.187 0.000 0.228 610 D C 0.856 177.139 176.300 -0.028 0.000 1.102 610 D CA 0.112 54.048 54.000 -0.107 0.000 1.044 610 D CB -0.049 40.728 40.800 -0.039 0.000 1.113 610 D HN 0.373 nan 8.370 nan 0.000 0.480 611 Y N -0.595 119.796 120.300 0.151 0.000 2.639 611 Y HA -0.011 4.432 4.550 -0.179 0.000 0.297 611 Y C 1.349 177.390 175.900 0.234 0.000 1.151 611 Y CA 0.316 58.562 58.100 0.244 0.000 1.335 611 Y CB -0.579 37.998 38.460 0.196 0.000 0.994 611 Y HN 0.153 nan 8.280 nan 0.000 0.548 612 E N 0.978 121.087 120.200 -0.153 0.000 2.028 612 E HA -0.142 4.096 4.350 -0.187 0.000 0.190 612 E C 1.811 178.425 176.600 0.022 0.000 0.984 612 E CA 0.929 57.285 56.400 -0.073 0.000 0.800 612 E CB -0.198 29.384 29.700 -0.196 0.000 0.758 612 E HN 0.485 nan 8.360 nan 0.000 0.448 613 E N 0.408 120.591 120.200 -0.028 0.000 2.352 613 E HA -0.230 4.008 4.350 -0.187 0.000 0.203 613 E C 1.545 178.060 176.600 -0.143 0.000 1.024 613 E CA 1.127 57.474 56.400 -0.089 0.000 0.842 613 E CB -0.252 29.364 29.700 -0.140 0.000 0.753 613 E HN 0.481 nan 8.360 nan 0.000 0.508 614 Y N 0.707 121.015 120.300 0.013 0.000 2.457 614 Y HA -0.029 4.410 4.550 -0.185 0.000 0.292 614 Y C 2.195 178.099 175.900 0.008 0.000 1.125 614 Y CA 0.416 58.461 58.100 -0.090 0.000 1.254 614 Y CB 0.151 38.559 38.460 -0.087 0.000 1.012 614 Y HN 0.029 nan 8.280 nan 0.000 0.555 615 N N -0.488 118.356 118.700 0.240 0.000 2.084 615 N HA -0.159 4.469 4.740 -0.187 0.000 0.190 615 N C 1.920 177.553 175.510 0.204 0.000 1.030 615 N CA 1.667 54.859 53.050 0.237 0.000 0.849 615 N CB -0.357 38.136 38.487 0.009 0.000 1.012 615 N HN 0.206 nan 8.380 nan 0.000 0.423 616 S N 1.388 117.161 115.700 0.122 0.000 2.351 616 S HA -0.120 4.238 4.470 -0.187 0.000 0.220 616 S C 1.841 176.500 174.600 0.100 0.000 1.035 616 S CA 0.944 59.206 58.200 0.104 0.000 1.031 616 S CB -0.346 62.878 63.200 0.040 0.000 0.928 616 S HN 0.316 nan 8.310 nan 0.000 0.433 617 Q N 0.319 120.138 119.800 0.032 0.000 2.217 617 Q HA -0.089 4.140 4.340 -0.187 0.000 0.209 617 Q C 2.140 178.310 176.000 0.284 0.000 0.988 617 Q CA 1.023 56.880 55.803 0.091 0.000 0.878 617 Q CB -0.580 28.043 28.738 -0.190 0.000 0.909 617 Q HN 0.361 nan 8.270 nan 0.000 0.424 618 L N 0.035 121.412 121.223 0.256 0.000 2.131 618 L HA -0.029 4.199 4.340 -0.187 0.000 0.206 618 L C 2.183 179.197 176.870 0.240 0.000 1.087 618 L CA 1.046 56.057 54.840 0.284 0.000 0.767 618 L CB -0.791 41.402 42.059 0.224 0.000 0.917 618 L HN 0.236 nan 8.230 nan 0.000 0.441 619 L N -1.776 119.568 121.223 0.202 0.000 2.056 619 L HA -0.174 4.054 4.340 -0.187 0.000 0.207 619 L C 2.574 179.510 176.870 0.110 0.000 1.078 619 L CA 1.779 56.708 54.840 0.148 0.000 0.749 619 L CB -0.479 41.678 42.059 0.165 0.000 0.901 619 L HN 0.294 nan 8.230 nan 0.000 0.433 620 S N -0.559 115.220 115.700 0.131 0.000 2.374 620 S HA -0.289 4.069 4.470 -0.187 0.000 0.227 620 S C 1.901 176.568 174.600 0.112 0.000 1.037 620 S CA 1.817 60.083 58.200 0.110 0.000 1.024 620 S CB -0.704 62.568 63.200 0.119 0.000 0.861 620 S HN 0.623 nan 8.310 nan 0.000 0.456 621 F N 2.564 122.500 119.950 -0.023 0.000 2.046 621 F HA -0.114 4.301 4.527 -0.186 0.000 0.297 621 F C 2.139 177.896 175.800 -0.072 0.000 1.123 621 F CA 1.896 59.845 58.000 -0.084 0.000 1.199 621 F CB -1.123 37.771 39.000 -0.177 0.000 0.972 621 F HN 0.077 nan 8.300 nan 0.000 0.474 622 V N 1.657 121.398 119.914 -0.288 0.000 2.278 622 V HA -0.376 3.632 4.120 -0.187 0.000 0.251 622 V C 2.717 178.625 176.094 -0.310 0.000 1.062 622 V CA 2.231 64.256 62.300 -0.458 0.000 1.038 622 V CB -0.932 30.706 31.823 -0.308 0.000 0.646 622 V HN 0.298 nan 8.190 nan 0.000 0.447 623 R N 0.142 120.560 120.500 -0.137 0.000 2.096 623 R HA -0.188 4.040 4.340 -0.187 0.000 0.229 623 R C 2.181 178.447 176.300 -0.057 0.000 1.134 623 R CA 1.970 58.034 56.100 -0.059 0.000 0.917 623 R CB -1.454 28.845 30.300 -0.001 0.000 0.832 623 R HN 0.561 nan 8.270 nan 0.000 0.430 624 D N 0.846 121.227 120.400 -0.032 0.000 2.203 624 D HA -0.179 4.349 4.640 -0.187 0.000 0.199 624 D C 1.812 178.162 176.300 0.083 0.000 0.997 624 D CA 0.841 54.864 54.000 0.039 0.000 0.863 624 D CB -0.055 40.787 40.800 0.070 0.000 0.928 624 D HN 0.065 nan 8.370 nan 0.000 0.458 625 L N 0.699 121.839 121.223 -0.138 0.000 2.156 625 L HA -0.002 4.226 4.340 -0.187 0.000 0.208 625 L C 1.550 178.460 176.870 0.066 0.000 1.095 625 L CA 1.334 56.098 54.840 -0.127 0.000 0.770 625 L CB -0.680 41.046 42.059 -0.556 0.000 0.914 625 L HN -0.062 nan 8.230 nan 0.000 0.439 626 N N -0.185 118.511 118.700 -0.008 0.000 2.520 626 N HA -0.127 4.501 4.740 -0.187 0.000 0.185 626 N C 1.396 176.910 175.510 0.007 0.000 1.068 626 N CA 0.595 53.665 53.050 0.033 0.000 0.911 626 N CB -0.088 38.417 38.487 0.030 0.000 0.961 626 N HN 0.609 nan 8.380 nan 0.000 0.446 627 Q N -0.718 119.061 119.800 -0.035 0.000 2.515 627 Q HA -0.041 4.187 4.340 -0.187 0.000 0.212 627 Q C 0.148 175.825 176.000 -0.539 0.000 0.970 627 Q CA 0.692 56.323 55.803 -0.288 0.000 0.941 627 Q CB 0.103 28.599 28.738 -0.404 0.000 0.998 627 Q HN 0.530 nan 8.270 nan 0.000 0.518 628 Y N -1.550 118.714 120.300 -0.060 0.000 2.682 628 Y HA 0.263 4.701 4.550 -0.187 0.000 0.251 628 Y C 1.554 177.420 175.900 -0.055 0.000 1.172 628 Y CA -0.624 57.429 58.100 -0.078 0.000 1.186 628 Y CB 0.233 38.627 38.460 -0.110 0.000 1.216 628 Y HN -0.069 nan 8.280 nan 0.000 0.540 629 R N 0.893 121.435 120.500 0.070 0.000 2.170 629 R HA -0.230 3.998 4.340 -0.187 0.000 0.242 629 R C 2.118 178.440 176.300 0.038 0.000 1.145 629 R CA 1.308 57.448 56.100 0.066 0.000 0.984 629 R CB -0.042 30.286 30.300 0.047 0.000 0.869 629 R HN 0.449 nan 8.270 nan 0.000 0.455 630 A N 0.907 123.729 122.820 0.003 0.000 1.855 630 A HA -0.176 4.032 4.320 -0.187 0.000 0.215 630 A C 1.705 179.282 177.584 -0.011 0.000 1.191 630 A CA 1.701 53.730 52.037 -0.014 0.000 0.613 630 A CB -0.474 18.501 19.000 -0.043 0.000 0.829 630 A HN 0.308 nan 8.150 nan 0.000 0.442 631 D N 0.116 120.503 120.400 -0.022 0.000 2.117 631 D HA -0.131 4.397 4.640 -0.187 0.000 0.197 631 D C 1.917 178.197 176.300 -0.034 0.000 0.987 631 D CA 1.187 55.144 54.000 -0.072 0.000 0.829 631 D CB -0.275 40.434 40.800 -0.152 0.000 0.961 631 D HN 0.299 nan 8.370 nan 0.000 0.460 632 I N 1.184 121.770 120.570 0.027 0.000 2.423 632 I HA -0.212 3.846 4.170 -0.187 0.000 0.254 632 I C 2.286 178.461 176.117 0.097 0.000 1.151 632 I CA 1.040 62.402 61.300 0.104 0.000 1.421 632 I CB -0.701 37.391 38.000 0.154 0.000 1.079 632 I HN -0.047 nan 8.210 nan 0.000 0.431 633 K N 1.074 121.509 120.400 0.059 0.000 2.098 633 K HA -0.076 4.132 4.320 -0.187 0.000 0.203 633 K C 1.889 178.515 176.600 0.043 0.000 1.051 633 K CA 0.851 57.169 56.287 0.052 0.000 0.957 633 K CB -0.011 32.508 32.500 0.032 0.000 0.738 633 K HN 0.348 nan 8.250 nan 0.000 0.447 634 E N 0.124 120.339 120.200 0.024 0.000 2.130 634 E HA -0.138 4.100 4.350 -0.187 0.000 0.196 634 E C 0.461 177.088 176.600 0.045 0.000 0.998 634 E CA 0.875 57.288 56.400 0.021 0.000 0.806 634 E CB -0.015 29.682 29.700 -0.004 0.000 0.738 634 E HN 0.262 nan 8.360 nan 0.000 0.459 635 M N -0.377 119.262 119.600 0.065 0.000 2.274 635 M HA 0.142 4.510 4.480 -0.187 0.000 0.344 635 M C 1.355 177.722 176.300 0.111 0.000 1.161 635 M CA -0.141 55.222 55.300 0.106 0.000 1.126 635 M CB 1.250 33.946 32.600 0.159 0.000 1.522 635 M HN 0.001 nan 8.290 nan 0.000 0.461 636 G N 2.838 111.703 108.800 0.109 0.000 2.564 636 G HA2 -0.026 3.822 3.960 -0.187 0.000 0.216 636 G HA3 -0.026 3.822 3.960 -0.187 0.000 0.216 636 G C 0.621 175.602 174.900 0.136 0.000 1.124 636 G CA 0.013 45.177 45.100 0.106 0.000 0.764 636 G HN 0.590 nan 8.290 nan 0.000 0.550 637 L N 1.085 122.407 121.223 0.165 0.000 2.615 637 L HA -0.029 4.199 4.340 -0.187 0.000 0.284 637 L C 1.836 178.827 176.870 0.201 0.000 1.237 637 L CA 0.044 55.005 54.840 0.202 0.000 0.905 637 L CB 0.733 42.941 42.059 0.248 0.000 1.149 637 L HN 0.178 nan 8.230 nan 0.000 0.499 638 S N 3.301 119.156 115.700 0.259 0.000 2.470 638 S HA -0.003 4.355 4.470 -0.187 0.000 0.222 638 S C 1.376 176.113 174.600 0.229 0.000 1.024 638 S CA 0.243 58.576 58.200 0.222 0.000 0.931 638 S CB -0.140 63.206 63.200 0.244 0.000 0.791 638 S HN 0.634 nan 8.310 nan 0.000 0.513 639 L N 0.976 122.382 121.223 0.305 0.000 4.312 639 L HA -0.299 3.929 4.340 -0.187 0.000 0.427 639 L C 1.160 178.266 176.870 0.393 0.000 1.149 639 L CA 1.562 56.590 54.840 0.313 0.000 0.978 639 L CB -1.072 41.160 42.059 0.288 0.000 1.963 639 L HN 0.504 nan 8.230 nan 0.000 0.970 640 Q N -0.853 119.112 119.800 0.276 0.000 2.163 640 Q HA -0.102 4.126 4.340 -0.187 0.000 0.198 640 Q C 1.714 177.804 176.000 0.149 0.000 0.954 640 Q CA 1.985 57.859 55.803 0.119 0.000 0.851 640 Q CB -0.235 28.440 28.738 -0.106 0.000 0.928 640 Q HN 0.689 nan 8.270 nan 0.000 0.459 641 W N 0.159 121.558 121.300 0.165 0.000 2.392 641 W HA -0.141 4.406 4.660 -0.188 0.000 0.279 641 W C 1.736 178.179 176.519 -0.128 0.000 1.225 641 W CA 0.803 58.138 57.345 -0.016 0.000 1.233 641 W CB -0.360 29.043 29.460 -0.095 0.000 1.122 641 W HN 0.338 nan 8.180 nan 0.000 0.561 642 L N -0.186 121.148 121.223 0.184 0.000 2.027 642 L HA -0.196 4.032 4.340 -0.187 0.000 0.206 642 L C 2.173 179.062 176.870 0.031 0.000 1.074 642 L CA 1.940 56.808 54.840 0.047 0.000 0.745 642 L CB -1.457 40.603 42.059 0.002 0.000 0.898 642 L HN -0.135 nan 8.230 nan 0.000 0.433 643 Y N -0.182 120.105 120.300 -0.022 0.000 2.165 643 Y HA -0.218 4.220 4.550 -0.187 0.000 0.286 643 Y C 2.784 178.638 175.900 -0.077 0.000 1.155 643 Y CA 1.634 59.713 58.100 -0.035 0.000 1.164 643 Y CB -1.136 37.292 38.460 -0.054 0.000 0.978 643 Y HN 0.206 nan 8.280 nan 0.000 0.513 644 S N 0.003 115.695 115.700 -0.014 0.000 2.359 644 S HA -0.288 4.070 4.470 -0.187 0.000 0.224 644 S C 2.380 176.944 174.600 -0.061 0.000 1.035 644 S CA 1.183 59.264 58.200 -0.197 0.000 1.018 644 S CB -0.873 61.965 63.200 -0.603 0.000 0.876 644 S HN 0.538 nan 8.310 nan 0.000 0.448 645 A N 2.363 125.164 122.820 -0.032 0.000 1.851 645 A HA -0.196 4.012 4.320 -0.187 0.000 0.216 645 A C 2.049 179.718 177.584 0.142 0.000 1.195 645 A CA 2.216 54.276 52.037 0.039 0.000 0.622 645 A CB -0.819 18.175 19.000 -0.010 0.000 0.831 645 A HN 0.462 nan 8.150 nan 0.000 0.444 646 R N 0.010 120.588 120.500 0.130 0.000 2.133 646 R HA -0.125 4.103 4.340 -0.187 0.000 0.247 646 R C 1.923 178.409 176.300 0.310 0.000 1.151 646 R CA 2.474 58.700 56.100 0.209 0.000 0.971 646 R CB -1.138 29.242 30.300 0.134 0.000 0.866 646 R HN 0.401 nan 8.270 nan 0.000 0.447 647 G N -0.613 108.312 108.800 0.209 0.000 2.408 647 G HA2 -0.169 3.680 3.960 -0.187 0.000 0.213 647 G HA3 -0.169 3.680 3.960 -0.187 0.000 0.213 647 G C 0.941 175.971 174.900 0.218 0.000 1.177 647 G CA 0.542 45.760 45.100 0.198 0.000 0.802 647 G HN 0.367 nan 8.290 nan 0.000 0.533 648 D N -0.507 119.983 120.400 0.151 0.000 2.271 648 D HA -0.108 4.420 4.640 -0.187 0.000 0.207 648 D C 1.744 178.153 176.300 0.181 0.000 0.983 648 D CA 0.573 54.650 54.000 0.129 0.000 0.878 648 D CB -0.124 40.733 40.800 0.095 0.000 0.920 648 D HN 0.307 nan 8.370 nan 0.000 0.479 649 F N -0.966 119.060 119.950 0.126 0.000 2.317 649 F HA 0.049 4.465 4.527 -0.186 0.000 0.293 649 F C 1.824 177.731 175.800 0.178 0.000 1.085 649 F CA 0.422 58.498 58.000 0.126 0.000 1.390 649 F CB -0.241 38.850 39.000 0.153 0.000 1.077 649 F HN -0.100 nan 8.300 nan 0.000 0.517 650 F N 1.357 121.455 119.950 0.246 0.000 2.069 650 F HA -0.223 4.193 4.527 -0.185 0.000 0.298 650 F C 2.595 178.410 175.800 0.025 0.000 1.113 650 F CA 1.885 59.986 58.000 0.167 0.000 1.214 650 F CB -0.346 38.761 39.000 0.178 0.000 0.978 650 F HN -0.212 nan 8.300 nan 0.000 0.474 651 R N 0.145 120.834 120.500 0.315 0.000 2.094 651 R HA -0.239 3.989 4.340 -0.187 0.000 0.239 651 R C 2.440 178.748 176.300 0.013 0.000 1.137 651 R CA 1.373 57.574 56.100 0.169 0.000 0.943 651 R CB -1.135 29.229 30.300 0.106 0.000 0.850 651 R HN 0.421 nan 8.270 nan 0.000 0.433 652 A N 0.915 123.677 122.820 -0.096 0.000 1.896 652 A HA -0.293 3.915 4.320 -0.187 0.000 0.220 652 A C 2.343 179.763 177.584 -0.273 0.000 1.206 652 A CA 2.730 54.628 52.037 -0.232 0.000 0.647 652 A CB -1.345 17.420 19.000 -0.391 0.000 0.828 652 A HN 0.623 nan 8.150 nan 0.000 0.455 653 T N -3.413 110.941 114.554 -0.334 0.000 2.867 653 T HA -0.107 4.131 4.350 -0.187 0.000 0.268 653 T C 2.010 176.711 174.700 0.003 0.000 1.057 653 T CA 1.913 63.906 62.100 -0.178 0.000 1.136 653 T CB -0.578 68.219 68.868 -0.117 0.000 0.874 653 T HN 0.463 nan 8.240 nan 0.000 0.466 654 S N 0.793 116.493 115.700 -0.000 0.000 2.402 654 S HA -0.047 4.311 4.470 -0.187 0.000 0.229 654 S C 2.303 176.939 174.600 0.060 0.000 1.021 654 S CA 0.554 58.801 58.200 0.079 0.000 0.974 654 S CB -0.360 62.938 63.200 0.162 0.000 0.800 654 S HN 0.575 nan 8.310 nan 0.000 0.484 655 R N 0.045 120.547 120.500 0.003 0.000 2.055 655 R HA 0.033 4.261 4.340 -0.187 0.000 0.228 655 R C 2.376 178.648 176.300 -0.047 0.000 1.143 655 R CA 1.382 57.468 56.100 -0.023 0.000 0.945 655 R CB -0.891 29.373 30.300 -0.059 0.000 0.841 655 R HN 0.412 nan 8.270 nan 0.000 0.429 656 L N 1.008 122.162 121.223 -0.116 0.000 1.997 656 L HA -0.226 4.002 4.340 -0.187 0.000 0.216 656 L C 2.264 179.173 176.870 0.064 0.000 1.074 656 L CA 2.215 56.942 54.840 -0.188 0.000 0.763 656 L CB -1.119 40.699 42.059 -0.402 0.000 0.890 656 L HN 0.128 nan 8.230 nan 0.000 0.434 657 T N -2.071 112.623 114.554 0.232 0.000 2.946 657 T HA -0.146 4.092 4.350 -0.187 0.000 0.271 657 T C 1.560 176.402 174.700 0.238 0.000 1.104 657 T CA 1.823 64.145 62.100 0.371 0.000 1.114 657 T CB -0.256 68.784 68.868 0.287 0.000 0.867 657 T HN 0.623 nan 8.240 nan 0.000 0.513 658 T N 0.754 115.390 114.554 0.137 0.000 2.904 658 T HA -0.001 4.237 4.350 -0.187 0.000 0.243 658 T C 1.619 176.367 174.700 0.080 0.000 1.024 658 T CA 0.698 62.857 62.100 0.097 0.000 1.158 658 T CB -0.402 68.501 68.868 0.058 0.000 0.867 658 T HN 0.292 nan 8.240 nan 0.000 0.429 659 D N 0.911 121.314 120.400 0.006 0.000 2.170 659 D HA -0.128 4.400 4.640 -0.187 0.000 0.193 659 D C 1.752 178.042 176.300 -0.018 0.000 1.004 659 D CA 1.228 55.194 54.000 -0.056 0.000 0.860 659 D CB -0.427 40.269 40.800 -0.174 0.000 0.931 659 D HN 0.352 nan 8.370 nan 0.000 0.448 660 F N 1.045 121.001 119.950 0.010 0.000 2.046 660 F HA -0.173 4.245 4.527 -0.182 0.000 0.297 660 F C 2.730 178.542 175.800 0.021 0.000 1.123 660 F CA 1.377 59.388 58.000 0.017 0.000 1.199 660 F CB -0.553 38.472 39.000 0.042 0.000 0.972 660 F HN 0.032 nan 8.300 nan 0.000 0.474 661 G N -0.149 108.801 108.800 0.250 0.000 2.469 661 G HA2 -0.300 3.548 3.960 -0.187 0.000 0.219 661 G HA3 -0.300 3.548 3.960 -0.187 0.000 0.219 661 G C 1.356 176.317 174.900 0.102 0.000 1.150 661 G CA 1.278 46.462 45.100 0.140 0.000 0.763 661 G HN 0.293 nan 8.290 nan 0.000 0.561 662 N N 1.104 119.856 118.700 0.087 0.000 2.494 662 N HA 0.124 4.752 4.740 -0.187 0.000 0.182 662 N C 1.010 176.555 175.510 0.057 0.000 1.076 662 N CA 0.672 53.757 53.050 0.059 0.000 0.908 662 N CB 0.071 38.582 38.487 0.040 0.000 0.967 662 N HN 0.381 nan 8.380 nan 0.000 0.449 663 A N 1.148 124.013 122.820 0.075 0.000 2.302 663 A HA 0.410 4.618 4.320 -0.187 0.000 0.285 663 A C -0.287 177.350 177.584 0.087 0.000 1.105 663 A CA -0.494 51.587 52.037 0.073 0.000 0.816 663 A CB 0.493 19.533 19.000 0.066 0.000 1.067 663 A HN 0.072 nan 8.150 nan 0.000 0.489 664 E N 0.925 121.170 120.200 0.074 0.000 2.216 664 E HA 0.367 4.605 4.350 -0.187 0.000 0.279 664 E C -0.513 176.131 176.600 0.073 0.000 0.997 664 E CA -0.563 55.877 56.400 0.068 0.000 0.817 664 E CB 0.902 30.634 29.700 0.055 0.000 1.096 664 E HN 0.514 nan 8.360 nan 0.000 0.393 665 K N 1.184 121.624 120.400 0.067 0.000 2.699 665 K HA -0.010 4.198 4.320 -0.187 0.000 0.205 665 K C 0.211 176.843 176.600 0.053 0.000 1.008 665 K CA 0.595 56.917 56.287 0.059 0.000 1.100 665 K CB -0.185 32.340 32.500 0.042 0.000 0.878 665 K HN 0.444 nan 8.250 nan 0.000 0.496 666 T N -0.549 114.039 114.554 0.056 0.000 2.955 666 T HA -0.041 4.197 4.350 -0.187 0.000 0.251 666 T C 0.261 174.997 174.700 0.059 0.000 1.002 666 T CA -0.126 62.005 62.100 0.051 0.000 0.970 666 T CB 0.292 69.187 68.868 0.045 0.000 1.091 666 T HN 0.141 nan 8.240 nan 0.000 0.495 667 D N 2.365 122.807 120.400 0.071 0.000 2.517 667 D HA 0.122 4.650 4.640 -0.187 0.000 0.220 667 D C 1.354 177.724 176.300 0.116 0.000 1.158 667 D CA -0.167 53.889 54.000 0.094 0.000 0.992 667 D CB 0.133 40.996 40.800 0.104 0.000 1.058 667 D HN 0.097 nan 8.370 nan 0.000 0.516 668 R N 2.018 122.578 120.500 0.099 0.000 2.174 668 R HA -0.248 3.980 4.340 -0.187 0.000 0.253 668 R C 1.578 177.938 176.300 0.100 0.000 1.165 668 R CA 1.320 57.470 56.100 0.083 0.000 0.984 668 R CB -0.199 30.144 30.300 0.071 0.000 0.873 668 R HN 0.442 nan 8.270 nan 0.000 0.456 669 F N 0.504 120.450 119.950 -0.006 0.000 2.074 669 F HA -0.186 4.335 4.527 -0.009 0.000 0.293 669 F C 2.190 177.977 175.800 -0.023 0.000 1.116 669 F CA 1.697 59.688 58.000 -0.015 0.000 1.212 669 F CB -0.612 38.378 39.000 -0.017 0.000 0.998 669 F HN -0.116 nan 8.300 nan 0.000 0.471 670 V N -1.141 118.958 119.914 0.308 0.000 2.594 670 V HA -0.245 3.763 4.120 -0.187 0.000 0.253 670 V C 2.150 178.218 176.094 -0.044 0.000 1.069 670 V CA 1.652 64.027 62.300 0.125 0.000 1.082 670 V CB -0.838 31.078 31.823 0.155 0.000 0.680 670 V HN 0.409 nan 8.190 nan 0.000 0.469 671 M N 0.093 119.694 119.600 0.002 0.000 2.156 671 M HA -0.000 4.368 4.480 -0.187 0.000 0.264 671 M C 2.289 178.568 176.300 -0.036 0.000 1.067 671 M CA 1.749 57.061 55.300 0.020 0.000 1.131 671 M CB -1.138 31.508 32.600 0.077 0.000 1.368 671 M HN 0.410 nan 8.290 nan 0.000 0.416 672 K N 0.994 121.342 120.400 -0.087 0.000 2.063 672 K HA -0.201 4.007 4.320 -0.187 0.000 0.208 672 K C 1.942 178.439 176.600 -0.171 0.000 1.048 672 K CA 1.424 57.644 56.287 -0.112 0.000 0.928 672 K CB -0.260 32.141 32.500 -0.165 0.000 0.713 672 K HN 0.274 nan 8.250 nan 0.000 0.442 673 K N 0.602 120.819 120.400 -0.305 0.000 2.209 673 K HA -0.094 4.114 4.320 -0.187 0.000 0.204 673 K C 2.172 178.623 176.600 -0.249 0.000 1.048 673 K CA 0.835 56.935 56.287 -0.312 0.000 0.940 673 K CB 0.063 32.325 32.500 -0.396 0.000 0.729 673 K HN 0.121 nan 8.250 nan 0.000 0.451 674 L N 0.369 121.430 121.223 -0.271 0.000 2.071 674 L HA -0.099 4.129 4.340 -0.187 0.000 0.201 674 L C 2.076 178.814 176.870 -0.220 0.000 1.076 674 L CA 0.627 55.210 54.840 -0.428 0.000 0.755 674 L CB -0.712 40.828 42.059 -0.864 0.000 0.915 674 L HN 0.153 nan 8.230 nan 0.000 0.445 675 N N 0.457 119.154 118.700 -0.005 0.000 2.184 675 N HA -0.224 4.404 4.740 -0.187 0.000 0.190 675 N C 1.369 176.890 175.510 0.018 0.000 1.011 675 N CA 1.548 54.662 53.050 0.107 0.000 0.867 675 N CB -0.362 38.184 38.487 0.098 0.000 0.993 675 N HN 0.364 nan 8.380 nan 0.000 0.433 676 D N 0.671 121.069 120.400 -0.004 0.000 2.144 676 D HA -0.083 4.445 4.640 -0.187 0.000 0.199 676 D C 1.998 178.281 176.300 -0.027 0.000 0.984 676 D CA 0.659 54.661 54.000 0.004 0.000 0.834 676 D CB 0.024 40.823 40.800 -0.002 0.000 0.955 676 D HN 0.324 nan 8.370 nan 0.000 0.465 677 R N 0.590 121.035 120.500 -0.092 0.000 2.081 677 R HA -0.069 4.159 4.340 -0.187 0.000 0.235 677 R C 2.480 178.724 176.300 -0.093 0.000 1.131 677 R CA 0.618 56.644 56.100 -0.125 0.000 0.960 677 R CB -0.731 29.430 30.300 -0.230 0.000 0.856 677 R HN 0.125 nan 8.270 nan 0.000 0.436 678 V N 1.619 121.490 119.914 -0.071 0.000 2.332 678 V HA -0.259 3.749 4.120 -0.187 0.000 0.248 678 V C 2.406 178.548 176.094 0.080 0.000 1.055 678 V CA 1.745 64.052 62.300 0.012 0.000 1.038 678 V CB -0.444 31.470 31.823 0.151 0.000 0.651 678 V HN 0.303 nan 8.190 nan 0.000 0.450 679 M N -0.862 118.766 119.600 0.048 0.000 2.539 679 M HA -0.121 4.247 4.480 -0.187 0.000 0.261 679 M C 2.199 178.576 176.300 0.127 0.000 1.069 679 M CA 1.450 56.792 55.300 0.072 0.000 1.081 679 M CB -0.110 32.472 32.600 -0.029 0.000 1.412 679 M HN 0.259 nan 8.290 nan 0.000 0.482 680 R N -1.505 119.068 120.500 0.121 0.000 2.140 680 R HA 0.024 4.252 4.340 -0.187 0.000 0.213 680 R C 1.955 178.383 176.300 0.213 0.000 1.059 680 R CA 0.712 56.926 56.100 0.189 0.000 1.000 680 R CB -0.348 30.105 30.300 0.255 0.000 0.910 680 R HN 0.208 nan 8.270 nan 0.000 0.455 681 V N 1.952 121.961 119.914 0.159 0.000 2.226 681 V HA -0.364 3.644 4.120 -0.187 0.000 0.254 681 V C 2.307 178.501 176.094 0.167 0.000 1.065 681 V CA 2.467 64.868 62.300 0.169 0.000 1.039 681 V CB -0.565 31.408 31.823 0.249 0.000 0.653 681 V HN 0.323 nan 8.190 nan 0.000 0.450 682 E N -0.747 119.587 120.200 0.223 0.000 2.031 682 E HA -0.253 3.985 4.350 -0.187 0.000 0.193 682 E C 2.084 178.824 176.600 0.234 0.000 0.994 682 E CA 1.871 58.437 56.400 0.277 0.000 0.800 682 E CB -0.575 29.317 29.700 0.320 0.000 0.752 682 E HN 0.672 nan 8.360 nan 0.000 0.447 683 Y N 0.655 120.946 120.300 -0.015 0.000 2.165 683 Y HA -0.255 4.185 4.550 -0.182 0.000 0.286 683 Y C 2.027 177.754 175.900 -0.288 0.000 1.155 683 Y CA 2.287 60.254 58.100 -0.221 0.000 1.164 683 Y CB -0.403 37.655 38.460 -0.670 0.000 0.978 683 Y HN 0.268 nan 8.280 nan 0.000 0.513 684 H N -1.056 117.814 119.070 -0.334 0.000 2.568 684 H HA -0.081 4.359 4.556 -0.194 0.000 0.281 684 H C 0.676 175.649 175.328 -0.590 0.000 1.028 684 H CA 1.009 56.768 56.048 -0.482 0.000 1.199 684 H CB -0.604 28.947 29.762 -0.351 0.000 1.352 684 H HN 0.423 nan 8.280 nan 0.000 0.605 685 F N 0.274 120.028 119.950 -0.327 0.000 2.639 685 F HA 0.182 4.599 4.527 -0.185 0.000 0.300 685 F C 0.483 175.973 175.800 -0.516 0.000 1.109 685 F CA -0.128 57.607 58.000 -0.442 0.000 1.335 685 F CB 0.489 39.085 39.000 -0.673 0.000 1.014 685 F HN -0.090 nan 8.300 nan 0.000 0.537 686 L N 0.358 121.395 121.223 -0.311 0.000 2.257 686 L HA 0.226 4.454 4.340 -0.187 0.000 0.290 686 L C 0.803 177.561 176.870 -0.187 0.000 1.044 686 L CA -0.691 54.006 54.840 -0.238 0.000 0.810 686 L CB 1.233 43.072 42.059 -0.366 0.000 1.193 686 L HN -0.093 nan 8.230 nan 0.000 0.425 687 S N 5.962 121.644 115.700 -0.031 0.000 2.887 687 S HA 0.038 4.396 4.470 -0.187 0.000 0.337 687 S C -1.317 173.245 174.600 -0.062 0.000 1.209 687 S CA -0.868 57.355 58.200 0.039 0.000 1.186 687 S CB 0.247 63.537 63.200 0.150 0.000 0.925 687 S HN 0.452 nan 8.310 nan 0.000 0.522 688 P HA 0.111 nan 4.420 nan 0.000 0.253 688 P C -0.529 176.450 177.300 -0.536 0.000 1.508 688 P CA 0.208 63.096 63.100 -0.354 0.000 0.883 688 P CB -0.363 31.087 31.700 -0.417 0.000 1.519 689 Y N -0.521 119.742 120.300 -0.062 0.000 2.588 689 Y HA 0.168 4.607 4.550 -0.185 0.000 0.247 689 Y C 1.043 176.901 175.900 -0.071 0.000 1.157 689 Y CA -0.515 57.554 58.100 -0.051 0.000 1.215 689 Y CB 0.861 39.305 38.460 -0.026 0.000 1.245 689 Y HN -0.185 nan 8.280 nan 0.000 0.534 690 V N -2.402 117.499 119.914 -0.021 0.000 2.656 690 V HA 0.602 4.610 4.120 -0.187 0.000 0.307 690 V C -0.029 176.003 176.094 -0.103 0.000 1.051 690 V CA -1.199 61.044 62.300 -0.094 0.000 0.893 690 V CB 1.766 33.426 31.823 -0.272 0.000 0.999 690 V HN -0.003 nan 8.190 nan 0.000 0.426 691 S N 4.278 119.938 115.700 -0.065 0.000 2.528 691 S HA 0.433 4.791 4.470 -0.187 0.000 0.277 691 S C -1.320 173.265 174.600 -0.025 0.000 1.297 691 S CA -0.892 57.285 58.200 -0.038 0.000 1.052 691 S CB 1.242 64.436 63.200 -0.009 0.000 0.917 691 S HN 0.764 nan 8.310 nan 0.000 0.492 692 P HA -0.126 nan 4.420 nan 0.000 0.217 692 P C 1.323 178.669 177.300 0.077 0.000 1.148 692 P CA 0.945 64.085 63.100 0.067 0.000 0.828 692 P CB 0.141 31.918 31.700 0.127 0.000 0.783 693 K N -0.304 120.158 120.400 0.103 0.000 2.147 693 K HA -0.171 4.037 4.320 -0.187 0.000 0.205 693 K C 1.521 178.176 176.600 0.091 0.000 1.049 693 K CA 1.291 57.673 56.287 0.157 0.000 0.936 693 K CB 0.034 32.647 32.500 0.188 0.000 0.722 693 K HN 0.079 nan 8.250 nan 0.000 0.446 694 E N -0.144 120.081 120.200 0.043 0.000 2.079 694 E HA 0.045 4.284 4.350 -0.187 0.000 0.191 694 E C 0.223 176.821 176.600 -0.004 0.000 0.961 694 E CA 0.528 56.943 56.400 0.025 0.000 0.823 694 E CB 0.378 30.087 29.700 0.016 0.000 0.789 694 E HN -0.050 nan 8.360 nan 0.000 0.459 695 S N 2.783 118.458 115.700 -0.041 0.000 2.399 695 S HA 0.195 4.553 4.470 -0.187 0.000 0.215 695 S C -1.955 172.588 174.600 -0.095 0.000 1.456 695 S CA -1.036 57.132 58.200 -0.053 0.000 1.199 695 S CB 1.828 64.979 63.200 -0.081 0.000 1.063 695 S HN 0.013 nan 8.310 nan 0.000 0.476 696 P HA -0.119 nan 4.420 nan 0.000 0.217 696 P C 0.075 177.307 177.300 -0.113 0.000 1.148 696 P CA 1.048 64.022 63.100 -0.209 0.000 0.828 696 P CB -0.105 31.225 31.700 -0.616 0.000 0.783 697 F N 0.420 120.495 119.950 0.208 0.000 2.541 697 F HA 0.325 4.739 4.527 -0.188 0.000 0.351 697 F C 1.847 177.866 175.800 0.364 0.000 1.209 697 F CA -0.756 57.378 58.000 0.223 0.000 1.277 697 F CB 0.081 39.218 39.000 0.229 0.000 1.632 697 F HN -0.288 nan 8.300 nan 0.000 0.619 698 R N -0.835 119.872 120.500 0.344 0.000 2.235 698 R HA -0.097 4.131 4.340 -0.187 0.000 0.213 698 R C 0.350 176.860 176.300 0.350 0.000 1.059 698 R CA 0.183 56.439 56.100 0.260 0.000 0.997 698 R CB -0.333 29.959 30.300 -0.013 0.000 0.884 698 R HN 0.432 nan 8.270 nan 0.000 0.462 699 H N 1.265 120.463 119.070 0.213 0.000 3.217 699 H HA -0.051 4.391 4.556 -0.188 0.000 0.272 699 H C 1.569 176.939 175.328 0.070 0.000 0.929 699 H CA -0.100 56.028 56.048 0.134 0.000 1.425 699 H CB 0.698 30.554 29.762 0.156 0.000 1.505 699 H HN -0.037 nan 8.280 nan 0.000 0.542 700 V N 2.754 122.575 119.914 -0.155 0.000 2.453 700 V HA -0.294 3.714 4.120 -0.187 0.000 0.252 700 V C 1.640 177.500 176.094 -0.391 0.000 1.068 700 V CA 1.714 63.869 62.300 -0.240 0.000 1.070 700 V CB -0.926 30.737 31.823 -0.266 0.000 0.664 700 V HN 0.537 nan 8.190 nan 0.000 0.461 701 F N -0.386 119.242 119.950 -0.536 0.000 2.220 701 F HA 0.242 4.658 4.527 -0.185 0.000 0.290 701 F C 1.929 177.358 175.800 -0.618 0.000 1.080 701 F CA 1.175 58.661 58.000 -0.855 0.000 1.318 701 F CB -0.348 37.696 39.000 -1.594 0.000 1.063 701 F HN 0.201 nan 8.300 nan 0.000 0.498 702 W N -0.483 121.132 121.300 0.526 0.000 3.008 702 W HA 0.419 4.965 4.660 -0.189 0.000 0.355 702 W C 1.578 178.243 176.519 0.244 0.000 1.095 702 W CA -0.076 57.422 57.345 0.254 0.000 1.738 702 W CB -0.718 28.803 29.460 0.103 0.000 1.091 702 W HN -0.095 nan 8.180 nan 0.000 0.574 703 G N 1.165 110.193 108.800 0.381 0.000 2.441 703 G HA2 0.342 4.190 3.960 -0.187 0.000 0.258 703 G HA3 0.342 4.190 3.960 -0.187 0.000 0.258 703 G C -0.308 174.767 174.900 0.291 0.000 1.487 703 G CA 0.061 45.381 45.100 0.366 0.000 1.058 703 G HN -0.027 nan 8.290 nan 0.000 0.552 704 S N -1.497 114.389 115.700 0.311 0.000 2.626 704 S HA 0.693 5.051 4.470 -0.187 0.000 0.275 704 S C -0.064 174.680 174.600 0.240 0.000 1.175 704 S CA 0.107 58.440 58.200 0.222 0.000 0.982 704 S CB 1.517 64.906 63.200 0.315 0.000 1.093 704 S HN 1.911 nan 8.310 nan 0.000 0.472 705 G N 1.259 110.092 108.800 0.055 0.000 2.368 705 G HA2 0.251 4.099 3.960 -0.187 0.000 0.302 705 G HA3 0.251 4.099 3.960 -0.187 0.000 0.302 705 G C 0.406 175.311 174.900 0.008 0.000 1.329 705 G CA -0.008 45.188 45.100 0.160 0.000 0.935 705 G HN 1.020 nan 8.290 nan 0.000 0.590 706 S N -0.497 115.288 115.700 0.142 0.000 2.481 706 S HA -0.084 4.274 4.470 -0.187 0.000 0.231 706 S C 1.796 176.414 174.600 0.029 0.000 0.996 706 S CA 1.804 60.041 58.200 0.061 0.000 0.942 706 S CB -0.533 62.712 63.200 0.074 0.000 0.768 706 S HN 1.151 nan 8.310 nan 0.000 0.520 707 H N 0.521 119.589 119.070 -0.003 0.000 2.529 707 H HA 0.139 4.583 4.556 -0.187 0.000 0.277 707 H C 0.237 175.523 175.328 -0.070 0.000 0.999 707 H CA 0.760 56.791 56.048 -0.027 0.000 1.256 707 H CB -1.563 28.202 29.762 0.006 0.000 1.402 707 H HN 0.194 nan 8.280 nan 0.000 0.566 708 T N 2.544 116.734 114.554 -0.607 0.000 2.933 708 T HA -0.025 4.213 4.350 -0.187 0.000 0.306 708 T C 1.494 175.990 174.700 -0.339 0.000 1.045 708 T CA -0.173 61.656 62.100 -0.453 0.000 1.143 708 T CB 0.692 69.363 68.868 -0.329 0.000 1.003 708 T HN 0.084 nan 8.240 nan 0.000 0.540 709 L N 6.412 127.359 121.223 -0.461 0.000 2.005 709 L HA 0.078 4.306 4.340 -0.187 0.000 0.207 709 L C -0.645 176.024 176.870 -0.335 0.000 1.072 709 L CA 1.719 56.196 54.840 -0.606 0.000 0.744 709 L CB -1.412 39.968 42.059 -1.132 0.000 0.895 709 L HN 0.513 nan 8.230 nan 0.000 0.433 710 P HA -0.177 nan 4.420 nan 0.000 0.216 710 P C 1.506 178.776 177.300 -0.051 0.000 1.150 710 P CA 1.892 64.934 63.100 -0.097 0.000 0.843 710 P CB -0.114 31.545 31.700 -0.068 0.000 0.787 711 A N -0.742 122.029 122.820 -0.082 0.000 1.978 711 A HA -0.194 4.014 4.320 -0.187 0.000 0.220 711 A C 2.170 179.757 177.584 0.006 0.000 1.170 711 A CA 1.339 53.351 52.037 -0.041 0.000 0.636 711 A CB -1.650 17.308 19.000 -0.071 0.000 0.810 711 A HN 0.202 nan 8.150 nan 0.000 0.448 712 L N -0.460 120.768 121.223 0.009 0.000 1.976 712 L HA -0.167 4.061 4.340 -0.187 0.000 0.209 712 L C 2.456 179.415 176.870 0.148 0.000 1.071 712 L CA 1.713 56.618 54.840 0.109 0.000 0.746 712 L CB -0.328 41.794 42.059 0.106 0.000 0.890 712 L HN 0.429 nan 8.230 nan 0.000 0.432 713 L N -0.188 121.083 121.223 0.081 0.000 2.012 713 L HA -0.259 3.969 4.340 -0.187 0.000 0.210 713 L C 2.595 179.409 176.870 -0.094 0.000 1.073 713 L CA 1.488 56.281 54.840 -0.079 0.000 0.748 713 L CB -0.769 41.261 42.059 -0.047 0.000 0.891 713 L HN 0.328 nan 8.230 nan 0.000 0.431 714 E N 0.481 120.674 120.200 -0.013 0.000 2.233 714 E HA -0.261 3.977 4.350 -0.187 0.000 0.199 714 E C 1.759 178.377 176.600 0.029 0.000 1.004 714 E CA 1.449 57.852 56.400 0.005 0.000 0.819 714 E CB -0.147 29.562 29.700 0.014 0.000 0.738 714 E HN 0.401 nan 8.360 nan 0.000 0.478 715 N N -1.077 117.665 118.700 0.070 0.000 2.305 715 N HA -0.051 4.577 4.740 -0.187 0.000 0.179 715 N C 1.495 177.122 175.510 0.195 0.000 1.019 715 N CA 0.551 53.694 53.050 0.154 0.000 0.869 715 N CB -0.247 38.358 38.487 0.196 0.000 1.000 715 N HN 0.185 nan 8.380 nan 0.000 0.431 716 L N 1.462 122.698 121.223 0.021 0.000 2.083 716 L HA -0.020 4.208 4.340 -0.187 0.000 0.209 716 L C 1.836 178.489 176.870 -0.361 0.000 1.083 716 L CA 1.611 56.251 54.840 -0.334 0.000 0.752 716 L CB -0.458 41.258 42.059 -0.572 0.000 0.899 716 L HN 0.108 nan 8.230 nan 0.000 0.433 717 K N -0.654 119.606 120.400 -0.233 0.000 2.113 717 K HA -0.192 4.016 4.320 -0.187 0.000 0.208 717 K C 1.923 178.508 176.600 -0.025 0.000 1.047 717 K CA 1.683 57.951 56.287 -0.031 0.000 0.928 717 K CB -0.439 32.082 32.500 0.035 0.000 0.716 717 K HN 0.383 nan 8.250 nan 0.000 0.446 718 L N 0.560 121.772 121.223 -0.019 0.000 2.353 718 L HA -0.121 4.108 4.340 -0.187 0.000 0.220 718 L C 2.419 179.246 176.870 -0.072 0.000 1.133 718 L CA 0.420 55.271 54.840 0.018 0.000 0.798 718 L CB -0.443 41.690 42.059 0.124 0.000 0.922 718 L HN 0.101 nan 8.230 nan 0.000 0.445 719 R N 1.509 121.802 120.500 -0.345 0.000 2.096 719 R HA -0.182 4.046 4.340 -0.187 0.000 0.240 719 R C 2.113 178.258 176.300 -0.258 0.000 1.139 719 R CA 1.727 57.461 56.100 -0.610 0.000 0.952 719 R CB -0.297 29.410 30.300 -0.987 0.000 0.854 719 R HN 0.252 nan 8.270 nan 0.000 0.436 720 K N 0.080 120.384 120.400 -0.160 0.000 2.152 720 K HA -0.166 4.042 4.320 -0.187 0.000 0.206 720 K C 2.021 178.593 176.600 -0.047 0.000 1.048 720 K CA 1.614 57.851 56.287 -0.083 0.000 0.933 720 K CB -0.130 32.344 32.500 -0.044 0.000 0.721 720 K HN 0.378 nan 8.250 nan 0.000 0.447 721 Q N 0.940 120.722 119.800 -0.029 0.000 2.576 721 Q HA -0.164 4.064 4.340 -0.187 0.000 0.218 721 Q C 0.227 176.229 176.000 0.003 0.000 0.983 721 Q CA 0.893 56.695 55.803 -0.002 0.000 0.920 721 Q CB -0.551 28.197 28.738 0.017 0.000 0.973 721 Q HN 0.490 nan 8.270 nan 0.000 0.528 722 N N -0.533 118.161 118.700 -0.010 0.000 2.707 722 N HA -0.356 4.272 4.740 -0.187 0.000 0.245 722 N C -0.348 175.177 175.510 0.026 0.000 1.103 722 N CA 1.898 54.949 53.050 0.002 0.000 0.882 722 N CB -2.056 36.431 38.487 -0.000 0.000 1.160 722 N HN 0.666 nan 8.380 nan 0.000 0.587 723 N N -2.155 116.567 118.700 0.037 0.000 2.431 723 N HA 0.419 5.047 4.740 -0.187 0.000 0.289 723 N C 1.370 176.923 175.510 0.073 0.000 1.277 723 N CA -0.546 52.532 53.050 0.047 0.000 0.972 723 N CB 0.300 38.812 38.487 0.042 0.000 1.143 723 N HN 0.130 nan 8.380 nan 0.000 0.578 724 G N -1.720 107.119 108.800 0.065 0.000 2.880 724 G HA2 0.054 3.902 3.960 -0.187 0.000 0.209 724 G HA3 0.054 3.902 3.960 -0.187 0.000 0.209 724 G C 1.378 176.327 174.900 0.081 0.000 1.157 724 G CA 0.329 45.471 45.100 0.071 0.000 0.779 724 G HN 0.711 nan 8.290 nan 0.000 0.539 725 A N 0.529 123.401 122.820 0.086 0.000 2.042 725 A HA -0.051 4.157 4.320 -0.187 0.000 0.222 725 A C 0.999 178.660 177.584 0.129 0.000 1.167 725 A CA 0.477 52.567 52.037 0.087 0.000 0.649 725 A CB -0.462 18.587 19.000 0.081 0.000 0.809 725 A HN 0.434 nan 8.150 nan 0.000 0.457 726 F N 1.242 121.188 119.950 -0.006 0.000 2.421 726 F HA 0.423 4.838 4.527 -0.187 0.000 0.358 726 F C 0.040 175.841 175.800 0.002 0.000 1.115 726 F CA -1.754 56.237 58.000 -0.016 0.000 1.160 726 F CB 0.338 39.310 39.000 -0.046 0.000 1.123 726 F HN 0.109 nan 8.300 nan 0.000 0.508 727 N N 5.654 124.027 118.700 -0.546 0.000 2.437 727 N HA 0.026 4.654 4.740 -0.187 0.000 0.243 727 N C 0.826 175.805 175.510 -0.885 0.000 1.041 727 N CA 0.148 52.906 53.050 -0.487 0.000 0.940 727 N CB 0.712 39.059 38.487 -0.234 0.000 1.133 727 N HN 0.956 nan 8.380 nan 0.000 0.506 728 E N 2.178 121.918 120.200 -0.766 0.000 2.047 728 E HA -0.133 4.105 4.350 -0.187 0.000 0.191 728 E C 0.708 177.211 176.600 -0.161 0.000 0.987 728 E CA 1.397 57.480 56.400 -0.529 0.000 0.799 728 E CB 0.249 29.905 29.700 -0.074 0.000 0.752 728 E HN 0.617 nan 8.360 nan 0.000 0.449 729 T N 1.851 116.335 114.554 -0.118 0.000 2.759 729 T HA -0.191 4.047 4.350 -0.187 0.000 0.269 729 T C 1.758 176.425 174.700 -0.056 0.000 1.042 729 T CA 1.210 63.278 62.100 -0.053 0.000 1.140 729 T CB -0.303 68.538 68.868 -0.046 0.000 0.864 729 T HN 0.139 nan 8.240 nan 0.000 0.455 730 L N 0.801 121.968 121.223 -0.092 0.000 1.994 730 L HA 0.028 4.256 4.340 -0.187 0.000 0.208 730 L C 2.012 178.870 176.870 -0.020 0.000 1.071 730 L CA 1.650 56.452 54.840 -0.062 0.000 0.745 730 L CB -1.144 40.869 42.059 -0.076 0.000 0.892 730 L HN 0.224 nan 8.230 nan 0.000 0.431 731 F N 0.620 120.471 119.950 -0.165 0.000 2.025 731 F HA -0.257 4.158 4.527 -0.186 0.000 0.297 731 F C 2.656 178.450 175.800 -0.009 0.000 1.132 731 F CA 1.946 59.919 58.000 -0.045 0.000 1.191 731 F CB -0.554 38.484 39.000 0.064 0.000 0.963 731 F HN 0.057 nan 8.300 nan 0.000 0.481 732 R N 0.583 121.095 120.500 0.020 0.000 2.189 732 R HA -0.282 3.946 4.340 -0.187 0.000 0.252 732 R C 1.930 178.115 176.300 -0.191 0.000 1.134 732 R CA 2.092 58.143 56.100 -0.081 0.000 0.954 732 R CB -1.436 28.877 30.300 0.021 0.000 0.890 732 R HN 0.453 nan 8.270 nan 0.000 0.443 733 N N 0.742 119.358 118.700 -0.141 0.000 2.062 733 N HA -0.133 4.495 4.740 -0.187 0.000 0.191 733 N C 1.919 177.316 175.510 -0.190 0.000 1.042 733 N CA 1.091 54.057 53.050 -0.141 0.000 0.845 733 N CB -0.459 37.972 38.487 -0.094 0.000 1.024 733 N HN 0.354 nan 8.380 nan 0.000 0.424 734 Q N 0.973 120.660 119.800 -0.188 0.000 2.065 734 Q HA -0.218 4.010 4.340 -0.187 0.000 0.213 734 Q C 2.236 178.077 176.000 -0.265 0.000 1.012 734 Q CA 1.639 57.328 55.803 -0.190 0.000 0.876 734 Q CB -0.443 28.205 28.738 -0.150 0.000 0.954 734 Q HN 0.365 nan 8.270 nan 0.000 0.413 735 L N -0.025 120.925 121.223 -0.455 0.000 1.976 735 L HA -0.231 3.997 4.340 -0.187 0.000 0.209 735 L C 2.364 179.078 176.870 -0.260 0.000 1.071 735 L CA 1.565 56.164 54.840 -0.401 0.000 0.746 735 L CB -0.584 41.094 42.059 -0.635 0.000 0.890 735 L HN 0.291 nan 8.230 nan 0.000 0.432 736 A N 0.213 122.884 122.820 -0.248 0.000 1.881 736 A HA -0.295 3.913 4.320 -0.187 0.000 0.219 736 A C 2.162 179.657 177.584 -0.149 0.000 1.215 736 A CA 2.540 54.467 52.037 -0.184 0.000 0.648 736 A CB -1.201 17.722 19.000 -0.128 0.000 0.832 736 A HN 0.555 nan 8.150 nan 0.000 0.455 737 L N -1.244 119.873 121.223 -0.176 0.000 2.005 737 L HA -0.139 4.089 4.340 -0.187 0.000 0.207 737 L C 3.094 179.872 176.870 -0.153 0.000 1.072 737 L CA 1.038 55.728 54.840 -0.250 0.000 0.744 737 L CB -0.723 41.119 42.059 -0.362 0.000 0.895 737 L HN 0.445 nan 8.230 nan 0.000 0.433 738 A N -0.412 122.319 122.820 -0.148 0.000 2.093 738 A HA -0.242 3.966 4.320 -0.187 0.000 0.222 738 A C 2.289 179.796 177.584 -0.129 0.000 1.162 738 A CA 2.445 54.395 52.037 -0.144 0.000 0.655 738 A CB -0.904 17.980 19.000 -0.195 0.000 0.805 738 A HN 0.475 nan 8.150 nan 0.000 0.461 739 T N -1.765 112.687 114.554 -0.169 0.000 2.735 739 T HA -0.145 4.093 4.350 -0.187 0.000 0.256 739 T C 1.467 176.032 174.700 -0.225 0.000 1.042 739 T CA 1.277 63.233 62.100 -0.239 0.000 1.147 739 T CB -0.394 68.222 68.868 -0.421 0.000 0.865 739 T HN 0.748 nan 8.240 nan 0.000 0.421 740 W N 1.736 123.011 121.300 -0.042 0.000 2.387 740 W HA -0.117 4.430 4.660 -0.189 0.000 0.272 740 W C 2.601 179.170 176.519 0.084 0.000 1.224 740 W CA 0.669 58.023 57.345 0.014 0.000 1.210 740 W CB -0.858 28.580 29.460 -0.037 0.000 1.125 740 W HN 0.245 nan 8.180 nan 0.000 0.572 741 T N 0.846 115.539 114.554 0.232 0.000 2.701 741 T HA -0.196 4.042 4.350 -0.187 0.000 0.263 741 T C 1.697 176.426 174.700 0.048 0.000 1.040 741 T CA 1.548 63.755 62.100 0.178 0.000 1.147 741 T CB -0.470 68.457 68.868 0.099 0.000 0.865 741 T HN 0.067 nan 8.240 nan 0.000 0.426 742 I N 0.897 121.480 120.570 0.022 0.000 2.179 742 I HA -0.198 3.860 4.170 -0.187 0.000 0.242 742 I C 2.997 179.131 176.117 0.028 0.000 1.088 742 I CA 1.105 62.406 61.300 0.001 0.000 1.357 742 I CB -0.445 37.571 38.000 0.027 0.000 1.051 742 I HN 0.158 nan 8.210 nan 0.000 0.409 743 Q N 1.167 121.010 119.800 0.071 0.000 2.014 743 Q HA -0.207 4.021 4.340 -0.187 0.000 0.207 743 Q C 2.273 178.367 176.000 0.158 0.000 0.993 743 Q CA 2.379 58.264 55.803 0.138 0.000 0.850 743 Q CB -1.040 27.822 28.738 0.207 0.000 0.916 743 Q HN 0.569 nan 8.270 nan 0.000 0.417 744 G N 0.314 109.217 108.800 0.171 0.000 2.476 744 G HA2 -0.259 3.589 3.960 -0.187 0.000 0.218 744 G HA3 -0.259 3.589 3.960 -0.187 0.000 0.218 744 G C 1.548 176.408 174.900 -0.067 0.000 1.164 744 G CA 1.862 47.010 45.100 0.080 0.000 0.768 744 G HN 0.545 nan 8.290 nan 0.000 0.560 745 A N 0.979 123.718 122.820 -0.135 0.000 1.986 745 A HA 0.132 4.340 4.320 -0.187 0.000 0.220 745 A C 2.772 180.337 177.584 -0.030 0.000 1.171 745 A CA 2.522 54.391 52.037 -0.280 0.000 0.640 745 A CB -0.689 17.873 19.000 -0.731 0.000 0.811 745 A HN 0.850 nan 8.150 nan 0.000 0.451 746 A N 0.319 123.225 122.820 0.144 0.000 1.840 746 A HA -0.142 4.066 4.320 -0.187 0.000 0.214 746 A C 1.818 179.380 177.584 -0.036 0.000 1.198 746 A CA 1.475 53.596 52.037 0.141 0.000 0.608 746 A CB -0.652 18.477 19.000 0.214 0.000 0.839 746 A HN 0.524 nan 8.150 nan 0.000 0.443 747 N N 0.700 119.397 118.700 -0.005 0.000 2.334 747 N HA -0.124 4.504 4.740 -0.187 0.000 0.187 747 N C 1.559 176.988 175.510 -0.134 0.000 1.016 747 N CA 1.437 54.471 53.050 -0.027 0.000 0.879 747 N CB -0.437 38.078 38.487 0.047 0.000 0.965 747 N HN 0.531 nan 8.380 nan 0.000 0.438 748 A N 0.116 122.790 122.820 -0.244 0.000 1.984 748 A HA 0.086 4.294 4.320 -0.187 0.000 0.214 748 A C 1.777 179.161 177.584 -0.332 0.000 1.173 748 A CA 0.183 51.980 52.037 -0.400 0.000 0.673 748 A CB -0.186 18.253 19.000 -0.936 0.000 0.830 748 A HN 0.184 nan 8.150 nan 0.000 0.453 749 L N -0.671 120.379 121.223 -0.288 0.000 2.645 749 L HA 0.258 4.486 4.340 -0.187 0.000 0.235 749 L C 0.686 177.397 176.870 -0.266 0.000 1.150 749 L CA 0.969 55.647 54.840 -0.271 0.000 0.911 749 L CB -0.893 40.975 42.059 -0.317 0.000 1.077 749 L HN 0.547 nan 8.230 nan 0.000 0.438 750 S N -1.578 113.988 115.700 -0.223 0.000 4.146 750 S HA 0.025 4.383 4.470 -0.187 0.000 0.628 750 S C 0.815 175.329 174.600 -0.143 0.000 1.860 750 S CA 0.321 58.405 58.200 -0.194 0.000 4.099 750 S CB -1.710 61.366 63.200 -0.206 0.000 0.215 750 S HN 1.643 nan 8.310 nan 0.000 0.512 751 G N 1.609 110.338 108.800 -0.118 0.000 2.132 751 G HA2 -0.075 3.773 3.960 -0.187 0.000 0.234 751 G HA3 -0.075 3.773 3.960 -0.187 0.000 0.234 751 G C 0.153 175.025 174.900 -0.047 0.000 0.989 751 G CA 1.035 46.100 45.100 -0.059 0.000 0.676 751 G HN 1.668 nan 8.290 nan 0.000 0.522 752 D N -1.991 118.357 120.400 -0.088 0.000 3.041 752 D HA -0.181 4.347 4.640 -0.187 0.000 0.220 752 D C 0.918 177.144 176.300 -0.123 0.000 1.157 752 D CA 1.464 55.411 54.000 -0.089 0.000 0.876 752 D CB -1.699 39.078 40.800 -0.038 0.000 1.107 752 D HN 1.714 nan 8.370 nan 0.000 0.422 753 V N -2.126 117.688 119.914 -0.168 0.000 3.570 753 V HA -0.312 3.696 4.120 -0.187 0.000 0.510 753 V C 0.901 176.954 176.094 -0.068 0.000 0.682 753 V CA 0.779 62.894 62.300 -0.307 0.000 2.063 753 V CB -0.617 30.844 31.823 -0.603 0.000 2.487 753 V HN 0.590 nan 8.190 nan 0.000 0.510 754 W N 0.083 121.378 121.300 -0.009 0.000 5.770 754 W HA -0.185 4.375 4.660 -0.167 0.000 0.389 754 W C 0.515 177.043 176.519 0.014 0.000 1.469 754 W CA 0.271 57.620 57.345 0.005 0.000 0.975 754 W CB -1.125 28.339 29.460 0.006 0.000 2.622 754 W HN 0.917 nan 8.180 nan 0.000 1.500 755 D N 1.027 121.567 120.400 0.234 0.000 2.982 755 D HA 0.004 4.532 4.640 -0.187 0.000 0.222 755 D C 0.581 176.971 176.300 0.151 0.000 1.124 755 D CA 0.890 54.979 54.000 0.148 0.000 0.810 755 D CB 0.342 41.211 40.800 0.116 0.000 1.152 755 D HN 0.037 nan 8.370 nan 0.000 0.538 756 I N 2.224 122.866 120.570 0.121 0.000 3.585 756 I HA 0.087 4.145 4.170 -0.187 0.000 0.325 756 I C 0.128 176.298 176.117 0.087 0.000 1.370 756 I CA -0.223 61.138 61.300 0.101 0.000 1.298 756 I CB -0.527 37.526 38.000 0.087 0.000 1.387 756 I HN 0.196 nan 8.210 nan 0.000 0.466 757 D N -0.815 119.643 120.400 0.097 0.000 3.110 757 D HA 0.023 4.551 4.640 -0.187 0.000 0.254 757 D C 1.053 177.430 176.300 0.129 0.000 1.283 757 D CA -0.395 53.662 54.000 0.095 0.000 0.944 757 D CB -0.666 40.177 40.800 0.072 0.000 1.066 757 D HN 0.499 nan 8.370 nan 0.000 0.496 758 N N -0.159 118.608 118.700 0.111 0.000 2.364 758 N HA -0.266 4.362 4.740 -0.187 0.000 0.183 758 N C 1.352 176.934 175.510 0.121 0.000 1.022 758 N CA 0.342 53.458 53.050 0.110 0.000 0.883 758 N CB 0.137 38.666 38.487 0.071 0.000 0.965 758 N HN 0.183 nan 8.380 nan 0.000 0.438 759 E N 1.175 121.448 120.200 0.121 0.000 1.989 759 E HA -0.092 4.146 4.350 -0.187 0.000 0.214 759 E C 0.309 177.010 176.600 0.168 0.000 0.915 759 E CA 0.073 56.540 56.400 0.112 0.000 1.012 759 E CB -0.683 29.075 29.700 0.097 0.000 0.865 759 E HN 0.209 nan 8.360 nan 0.000 0.577 760 F N 0.000 119.952 119.950 0.003 0.000 2.286 760 F HA 0.000 4.416 4.527 -0.186 0.000 0.279 760 F CA 0.000 57.986 58.000 -0.023 0.000 1.383 760 F CB 0.000 38.987 39.000 -0.021 0.000 1.145 760 F HN 0.000 nan 8.300 nan 0.000 0.574