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 1cx8_1_H 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 0.000 176.707 176.870 -0.272 0.000 1.165 122 L CA 0.000 54.741 54.840 -0.164 0.000 0.813 122 L CB 0.000 42.017 42.059 -0.070 0.000 0.961 123 Y N -0.460 119.822 120.300 -0.030 0.000 2.519 123 Y HA 0.185 4.763 4.550 0.048 0.000 0.324 123 Y C 1.037 176.847 175.900 -0.149 0.000 1.214 123 Y CA 0.040 58.120 58.100 -0.033 0.000 1.260 123 Y CB 1.150 39.631 38.460 0.036 0.000 1.311 123 Y HN 0.736 nan 8.280 nan 0.000 0.505 124 W N 1.991 123.179 121.300 -0.187 0.000 2.302 124 W HA -0.336 4.354 4.660 0.049 0.000 0.320 124 W C 1.120 177.572 176.519 -0.111 0.000 1.241 124 W CA 2.581 59.775 57.345 -0.252 0.000 1.264 124 W CB -0.286 29.120 29.460 -0.090 0.000 1.154 124 W HN 0.912 nan 8.180 nan 0.000 0.483 125 D N 0.548 120.821 120.400 -0.212 0.000 2.133 125 D HA -0.298 4.371 4.640 0.048 0.000 0.192 125 D C 1.589 177.675 176.300 -0.356 0.000 1.001 125 D CA 2.241 56.041 54.000 -0.333 0.000 0.844 125 D CB -1.231 39.513 40.800 -0.094 0.000 0.944 125 D HN 0.140 nan 8.370 nan 0.000 0.447 126 D N 0.226 120.501 120.400 -0.209 0.000 2.087 126 D HA -0.127 4.542 4.640 0.048 0.000 0.192 126 D C 2.253 178.366 176.300 -0.312 0.000 0.993 126 D CA 0.778 54.663 54.000 -0.191 0.000 0.828 126 D CB -0.216 40.529 40.800 -0.091 0.000 0.968 126 D HN 0.160 nan 8.370 nan 0.000 0.448 127 L N 1.069 122.052 121.223 -0.400 0.000 2.083 127 L HA -0.137 4.232 4.340 0.048 0.000 0.209 127 L C 2.368 178.863 176.870 -0.626 0.000 1.083 127 L CA 1.271 55.806 54.840 -0.508 0.000 0.752 127 L CB -1.023 40.726 42.059 -0.517 0.000 0.899 127 L HN 0.094 nan 8.230 nan 0.000 0.433 128 K N 0.117 119.961 120.400 -0.926 0.000 2.002 128 K HA -0.188 4.161 4.320 0.048 0.000 0.209 128 K C 2.304 178.606 176.600 -0.496 0.000 1.048 128 K CA 1.209 56.935 56.287 -0.936 0.000 0.930 128 K CB 0.065 31.798 32.500 -1.279 0.000 0.714 128 K HN 0.109 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 -0.171 4.198 4.340 0.048 0.000 0.237 129 R C 2.360 178.522 176.300 -0.231 0.000 1.137 129 R CA 1.818 57.763 56.100 -0.259 0.000 0.951 129 R CB -0.156 30.022 30.300 -0.203 0.000 0.851 129 R HN -0.014 nan 8.270 nan 0.000 0.434 130 K N 0.918 121.168 120.400 -0.250 0.000 1.978 130 K HA -0.174 4.175 4.320 0.048 0.000 0.214 130 K C 1.883 178.342 176.600 -0.235 0.000 1.049 130 K CA 1.454 57.610 56.287 -0.218 0.000 0.939 130 K CB -0.805 31.560 32.500 -0.226 0.000 0.721 130 K HN 0.082 nan 8.250 nan 0.000 0.441 131 L N 0.692 121.736 121.223 -0.299 0.000 2.197 131 L HA -0.217 4.152 4.340 0.048 0.000 0.215 131 L C 2.187 178.933 176.870 -0.208 0.000 1.095 131 L CA 2.204 56.870 54.840 -0.290 0.000 0.764 131 L CB -1.053 40.819 42.059 -0.312 0.000 0.897 131 L HN 0.358 nan 8.230 nan 0.000 0.436 132 S N -0.499 115.082 115.700 -0.198 0.000 2.335 132 S HA -0.212 4.287 4.470 0.048 0.000 0.217 132 S C 1.910 176.426 174.600 -0.140 0.000 1.032 132 S CA 1.089 59.196 58.200 -0.155 0.000 0.985 132 S CB -0.398 62.710 63.200 -0.153 0.000 0.896 132 S HN 0.792 nan 8.310 nan 0.000 0.445 133 E N 0.733 120.849 120.200 -0.139 0.000 2.118 133 E HA -0.209 4.170 4.350 0.048 0.000 0.195 133 E C 1.846 178.373 176.600 -0.122 0.000 0.992 133 E CA 1.124 57.452 56.400 -0.121 0.000 0.804 133 E CB -0.277 29.358 29.700 -0.108 0.000 0.741 133 E HN 0.335 nan 8.360 nan 0.000 0.458 134 K N 0.507 120.827 120.400 -0.133 0.000 2.057 134 K HA -0.074 4.275 4.320 0.048 0.000 0.207 134 K C 2.136 178.660 176.600 -0.127 0.000 1.049 134 K CA 0.665 56.876 56.287 -0.127 0.000 0.931 134 K CB -0.288 32.121 32.500 -0.151 0.000 0.714 134 K HN 0.240 nan 8.250 nan 0.000 0.440 135 L N 1.777 122.923 121.223 -0.128 0.000 2.291 135 L HA -0.109 4.260 4.340 0.048 0.000 0.214 135 L C 1.367 178.116 176.870 -0.200 0.000 1.120 135 L CA 1.554 56.314 54.840 -0.132 0.000 0.799 135 L CB -0.935 41.079 42.059 -0.075 0.000 0.925 135 L HN 0.112 nan 8.230 nan 0.000 0.446 136 D N -0.797 119.507 120.400 -0.161 0.000 2.269 136 D HA -0.043 4.626 4.640 0.048 0.000 0.208 136 D C 0.814 177.018 176.300 -0.161 0.000 0.963 136 D CA 0.600 54.507 54.000 -0.155 0.000 0.864 136 D CB 0.374 41.101 40.800 -0.121 0.000 0.936 136 D HN 0.085 nan 8.370 nan 0.000 0.505 137 S N -0.124 115.481 115.700 -0.158 0.000 2.256 137 S HA 0.240 4.739 4.470 0.048 0.000 0.210 137 S C -0.289 174.220 174.600 -0.152 0.000 1.329 137 S CA -0.607 57.511 58.200 -0.136 0.000 1.267 137 S CB 0.710 63.854 63.200 -0.093 0.000 1.086 137 S HN 0.156 nan 8.310 nan 0.000 0.468 138 T N -1.410 112.992 114.554 -0.253 0.000 3.143 138 T HA 0.338 4.717 4.350 0.048 0.000 0.312 138 T C -1.431 173.025 174.700 -0.407 0.000 0.986 138 T CA -0.754 61.181 62.100 -0.274 0.000 1.024 138 T CB 1.557 70.262 68.868 -0.272 0.000 1.030 138 T HN 0.034 nan 8.240 nan 0.000 0.448 139 D N 2.829 123.136 120.400 -0.155 0.000 2.402 139 D HA 0.242 4.911 4.640 0.048 0.000 0.235 139 D C 0.283 176.644 176.300 0.101 0.000 1.226 139 D CA -0.583 53.370 54.000 -0.078 0.000 0.918 139 D CB 0.037 40.832 40.800 -0.008 0.000 1.043 139 D HN 0.627 nan 8.370 nan 0.000 0.506 140 F N 0.977 120.941 119.950 0.023 0.000 2.234 140 F HA -0.132 4.425 4.527 0.049 0.000 0.296 140 F C 2.640 178.475 175.800 0.058 0.000 1.089 140 F CA 0.227 58.249 58.000 0.036 0.000 1.343 140 F CB 0.201 39.220 39.000 0.032 0.000 1.040 140 F HN 0.301 nan 8.300 nan 0.000 0.498 141 T N -0.688 114.021 114.554 0.258 0.000 2.759 141 T HA -0.174 4.205 4.350 0.048 0.000 0.269 141 T C 2.139 176.914 174.700 0.125 0.000 1.042 141 T CA 1.860 64.106 62.100 0.244 0.000 1.140 141 T CB -0.271 68.734 68.868 0.227 0.000 0.864 141 T HN 0.145 nan 8.240 nan 0.000 0.455 142 S N 0.578 116.324 115.700 0.076 0.000 2.343 142 S HA -0.105 4.394 4.470 0.048 0.000 0.219 142 S C 2.274 176.863 174.600 -0.017 0.000 1.033 142 S CA 1.904 60.104 58.200 -0.000 0.000 1.014 142 S CB -0.817 62.401 63.200 0.029 0.000 0.915 142 S HN 0.636 nan 8.310 nan 0.000 0.435 143 T N 2.602 117.195 114.554 0.064 0.000 2.833 143 T HA 0.045 4.424 4.350 0.048 0.000 0.269 143 T C 1.683 176.400 174.700 0.028 0.000 1.054 143 T CA 0.947 63.088 62.100 0.068 0.000 1.135 143 T CB -0.407 68.532 68.868 0.119 0.000 0.869 143 T HN 0.332 nan 8.240 nan 0.000 0.466 144 I N 0.751 121.349 120.570 0.047 0.000 2.394 144 I HA -0.116 4.083 4.170 0.048 0.000 0.251 144 I C 2.597 178.685 176.117 -0.047 0.000 1.136 144 I CA 1.103 62.449 61.300 0.076 0.000 1.425 144 I CB -0.308 37.829 38.000 0.228 0.000 1.079 144 I HN 0.188 nan 8.210 nan 0.000 0.425 145 K N 1.709 121.912 120.400 -0.328 0.000 2.021 145 K HA -0.128 4.221 4.320 0.048 0.000 0.205 145 K C 2.313 178.778 176.600 -0.224 0.000 1.047 145 K CA 0.925 56.838 56.287 -0.624 0.000 0.943 145 K CB -0.118 31.860 32.500 -0.870 0.000 0.725 145 K HN 0.226 nan 8.250 nan 0.000 0.439 146 L N 1.663 122.809 121.223 -0.128 0.000 2.089 146 L HA -0.154 4.215 4.340 0.048 0.000 0.213 146 L C 1.407 178.302 176.870 0.042 0.000 1.079 146 L CA 1.291 56.111 54.840 -0.033 0.000 0.758 146 L CB -0.123 41.929 42.059 -0.012 0.000 0.891 146 L HN 0.231 nan 8.230 nan 0.000 0.433 147 L N 0.621 121.838 121.223 -0.011 0.000 2.873 147 L HA 0.019 4.388 4.340 0.048 0.000 0.252 147 L C 0.993 177.903 176.870 0.068 0.000 1.266 147 L CA 0.054 54.873 54.840 -0.034 0.000 1.111 147 L CB -0.711 41.307 42.059 -0.068 0.000 1.440 147 L HN 0.382 nan 8.230 nan 0.000 0.427 148 N N -0.762 117.998 118.700 0.099 0.000 2.008 148 N HA 0.049 4.818 4.740 0.048 0.000 0.228 148 N C 0.168 175.720 175.510 0.069 0.000 1.375 148 N CA -0.022 53.082 53.050 0.091 0.000 0.856 148 N CB 1.119 39.647 38.487 0.069 0.000 1.096 148 N HN 0.379 nan 8.380 nan 0.000 0.489 149 E N 0.955 121.188 120.200 0.055 0.000 2.436 149 E HA -0.024 4.355 4.350 0.048 0.000 0.262 149 E C 0.380 176.933 176.600 -0.078 0.000 1.063 149 E CA 0.119 56.497 56.400 -0.036 0.000 0.944 149 E CB 0.522 30.165 29.700 -0.095 0.000 0.950 149 E HN 0.085 nan 8.360 nan 0.000 0.444 150 N N 0.570 119.206 118.700 -0.106 0.000 2.588 150 N HA -0.121 4.648 4.740 0.048 0.000 0.190 150 N C 1.054 176.441 175.510 -0.206 0.000 1.094 150 N CA 0.634 53.614 53.050 -0.115 0.000 0.921 150 N CB 0.097 38.526 38.487 -0.097 0.000 0.959 150 N HN 0.233 nan 8.380 nan 0.000 0.448 151 S N -0.431 115.035 115.700 -0.390 0.000 2.399 151 S HA -0.122 4.377 4.470 0.048 0.000 0.231 151 S C -0.231 173.969 174.600 -0.666 0.000 1.022 151 S CA 1.084 58.873 58.200 -0.684 0.000 0.983 151 S CB -0.184 62.305 63.200 -1.185 0.000 0.803 151 S HN 0.545 nan 8.310 nan 0.000 0.480 152 Y N -1.318 118.937 120.300 -0.075 0.000 2.580 152 Y HA 0.606 5.185 4.550 0.049 0.000 0.305 152 Y C 0.212 176.087 175.900 -0.042 0.000 1.069 152 Y CA -1.095 56.971 58.100 -0.056 0.000 1.193 152 Y CB -0.624 37.804 38.460 -0.054 0.000 1.126 152 Y HN -0.078 nan 8.280 nan 0.000 0.610 153 V N 1.147 121.108 119.914 0.079 0.000 2.635 153 V HA 0.385 4.534 4.120 0.048 0.000 0.233 153 V C -1.957 174.144 176.094 0.011 0.000 1.097 153 V CA -0.328 62.001 62.300 0.049 0.000 1.134 153 V CB 0.357 32.187 31.823 0.011 0.000 0.841 153 V HN 0.261 nan 8.190 nan 0.000 0.496 154 P HA 0.227 nan 4.420 nan 0.000 0.225 154 P C -0.712 176.562 177.300 -0.044 0.000 1.813 154 P CA -0.204 62.847 63.100 -0.083 0.000 1.013 154 P CB -0.768 30.850 31.700 -0.137 0.000 1.961 155 R N 0.205 120.709 120.500 0.008 0.000 4.559 155 R HA 0.139 4.507 4.340 0.048 0.000 0.177 155 R C 0.259 176.583 176.300 0.040 0.000 1.875 155 R CA -0.247 55.876 56.100 0.038 0.000 1.509 155 R CB -0.389 29.950 30.300 0.066 0.000 1.395 155 R HN 0.305 nan 8.270 nan 0.000 0.830 156 E N 1.423 121.632 120.200 0.015 0.000 2.428 156 E HA 0.102 4.481 4.350 0.048 0.000 0.257 156 E C -0.339 176.322 176.600 0.100 0.000 1.197 156 E CA -0.019 56.414 56.400 0.055 0.000 0.974 156 E CB 0.604 30.322 29.700 0.030 0.000 0.976 156 E HN 0.609 nan 8.360 nan 0.000 0.463 157 A N 1.140 124.070 122.820 0.183 0.000 2.492 157 A HA 0.370 4.719 4.320 0.048 0.000 0.254 157 A C 0.962 178.570 177.584 0.040 0.000 1.091 157 A CA 0.620 52.746 52.037 0.148 0.000 0.768 157 A CB -0.479 18.658 19.000 0.229 0.000 1.028 157 A HN 0.894 nan 8.150 nan 0.000 0.498 158 G N 2.108 110.921 108.800 0.021 0.000 2.225 158 G HA2 -0.163 3.826 3.960 0.048 0.000 0.267 158 G HA3 -0.163 3.826 3.960 0.048 0.000 0.267 158 G C 0.507 175.407 174.900 -0.000 0.000 1.024 158 G CA 0.970 46.064 45.100 -0.010 0.000 0.784 158 G HN 2.070 nan 8.290 nan 0.000 0.507 159 S N -1.919 113.789 115.700 0.014 0.000 2.738 159 S HA 0.654 5.153 4.470 0.048 0.000 0.284 159 S C 1.213 175.820 174.600 0.010 0.000 1.146 159 S CA 0.494 58.699 58.200 0.009 0.000 0.997 159 S CB 1.733 64.938 63.200 0.008 0.000 1.081 159 S HN 0.392 nan 8.310 nan 0.000 0.553 160 Q N 0.870 120.673 119.800 0.005 0.000 2.049 160 Q HA -0.016 4.353 4.340 0.048 0.000 0.198 160 Q C 1.720 177.733 176.000 0.023 0.000 0.971 160 Q CA 1.717 57.525 55.803 0.007 0.000 0.833 160 Q CB -0.386 28.349 28.738 -0.005 0.000 0.896 160 Q HN 0.654 nan 8.270 nan 0.000 0.434 161 K N 1.231 121.645 120.400 0.024 0.000 2.044 161 K HA -0.195 4.154 4.320 0.048 0.000 0.210 161 K C 1.830 178.490 176.600 0.100 0.000 1.049 161 K CA 1.575 57.900 56.287 0.065 0.000 0.927 161 K CB -1.003 31.529 32.500 0.053 0.000 0.713 161 K HN 0.446 nan 8.250 nan 0.000 0.443 162 D N 1.359 121.796 120.400 0.061 0.000 2.137 162 D HA -0.243 4.426 4.640 0.048 0.000 0.189 162 D C 1.804 178.129 176.300 0.042 0.000 0.998 162 D CA 1.580 55.610 54.000 0.049 0.000 0.839 162 D CB -0.085 40.738 40.800 0.040 0.000 0.962 162 D HN 0.352 nan 8.370 nan 0.000 0.446 163 E N -0.428 119.792 120.200 0.034 0.000 2.219 163 E HA -0.192 4.187 4.350 0.048 0.000 0.198 163 E C 1.937 178.566 176.600 0.049 0.000 0.998 163 E CA 0.754 57.170 56.400 0.026 0.000 0.818 163 E CB 0.090 29.801 29.700 0.018 0.000 0.741 163 E HN 0.299 nan 8.360 nan 0.000 0.477 164 N N 0.530 119.284 118.700 0.091 0.000 2.062 164 N HA -0.162 4.607 4.740 0.048 0.000 0.191 164 N C 1.883 177.523 175.510 0.217 0.000 1.042 164 N CA 0.762 53.908 53.050 0.160 0.000 0.845 164 N CB -0.499 38.108 38.487 0.201 0.000 1.024 164 N HN 0.170 nan 8.380 nan 0.000 0.424 165 L N 1.628 122.963 121.223 0.186 0.000 2.079 165 L HA -0.043 4.325 4.340 0.048 0.000 0.210 165 L C 2.145 178.983 176.870 -0.053 0.000 1.081 165 L CA 1.444 56.239 54.840 -0.075 0.000 0.752 165 L CB -1.088 40.827 42.059 -0.240 0.000 0.896 165 L HN 0.136 nan 8.230 nan 0.000 0.433 166 A N -0.204 122.589 122.820 -0.044 0.000 1.873 166 A HA -0.231 4.118 4.320 0.048 0.000 0.218 166 A C 2.240 179.762 177.584 -0.102 0.000 1.193 166 A CA 2.295 54.276 52.037 -0.092 0.000 0.629 166 A CB -1.045 17.923 19.000 -0.052 0.000 0.826 166 A HN 0.514 nan 8.150 nan 0.000 0.447 167 L N -2.041 119.167 121.223 -0.026 0.000 2.201 167 L HA -0.164 4.204 4.340 0.048 0.000 0.212 167 L C 2.594 179.453 176.870 -0.018 0.000 1.105 167 L CA 1.461 56.290 54.840 -0.018 0.000 0.775 167 L CB -0.718 41.357 42.059 0.027 0.000 0.913 167 L HN 0.605 nan 8.230 nan 0.000 0.440 168 Y N 0.977 121.199 120.300 -0.131 0.000 2.133 168 Y HA -0.187 4.392 4.550 0.048 0.000 0.287 168 Y C 2.399 178.122 175.900 -0.295 0.000 1.134 168 Y CA 1.380 59.381 58.100 -0.165 0.000 1.133 168 Y CB -0.569 37.787 38.460 -0.172 0.000 0.987 168 Y HN -0.164 nan 8.280 nan 0.000 0.502 169 V N 0.993 120.574 119.914 -0.555 0.000 2.255 169 V HA -0.334 3.815 4.120 0.048 0.000 0.247 169 V C 2.414 177.960 176.094 -0.913 0.000 1.051 169 V CA 2.309 64.077 62.300 -0.887 0.000 1.018 169 V CB -0.903 30.460 31.823 -0.767 0.000 0.641 169 V HN 0.480 nan 8.190 nan 0.000 0.445 170 E N 0.298 120.179 120.200 -0.532 0.000 2.065 170 E HA -0.331 4.048 4.350 0.048 0.000 0.201 170 E C 2.256 178.725 176.600 -0.218 0.000 1.016 170 E CA 1.947 58.172 56.400 -0.292 0.000 0.818 170 E CB -0.252 29.370 29.700 -0.129 0.000 0.749 170 E HN 0.606 nan 8.360 nan 0.000 0.453 171 N N -0.007 118.555 118.700 -0.229 0.000 2.106 171 N HA -0.166 4.603 4.740 0.048 0.000 0.188 171 N C 1.742 177.061 175.510 -0.318 0.000 1.029 171 N CA 1.033 53.974 53.050 -0.182 0.000 0.848 171 N CB -0.051 38.370 38.487 -0.111 0.000 1.007 171 N HN 0.187 nan 8.380 nan 0.000 0.423 172 E N 0.531 120.390 120.200 -0.569 0.000 2.114 172 E HA -0.188 4.191 4.350 0.048 0.000 0.199 172 E C 2.014 178.086 176.600 -0.880 0.000 1.008 172 E CA 0.856 56.717 56.400 -0.899 0.000 0.810 172 E CB -0.625 28.425 29.700 -1.083 0.000 0.739 172 E HN 0.513 nan 8.360 nan 0.000 0.456 173 F N 0.764 120.471 119.950 -0.405 0.000 2.095 173 F HA -0.216 4.340 4.527 0.047 0.000 0.298 173 F C 2.771 178.540 175.800 -0.051 0.000 1.104 173 F CA 0.753 58.729 58.000 -0.039 0.000 1.232 173 F CB -0.120 38.866 39.000 -0.023 0.000 0.987 173 F HN 0.002 nan 8.300 nan 0.000 0.475 174 R N 0.232 120.787 120.500 0.092 0.000 2.083 174 R HA -0.215 4.154 4.340 0.048 0.000 0.237 174 R C 2.036 178.337 176.300 0.002 0.000 1.137 174 R CA 1.728 57.863 56.100 0.059 0.000 0.951 174 R CB -0.576 29.738 30.300 0.024 0.000 0.851 174 R HN 0.357 nan 8.270 nan 0.000 0.434 175 E N 0.179 120.295 120.200 -0.140 0.000 2.110 175 E HA -0.180 4.199 4.350 0.048 0.000 0.193 175 E C 1.284 177.849 176.600 -0.058 0.000 0.988 175 E CA 0.989 57.294 56.400 -0.160 0.000 0.804 175 E CB 0.009 29.525 29.700 -0.305 0.000 0.745 175 E HN 0.186 nan 8.360 nan 0.000 0.458 176 F N 0.829 120.804 119.950 0.042 0.000 2.583 176 F HA -0.018 4.538 4.527 0.048 0.000 0.297 176 F C 1.458 177.284 175.800 0.044 0.000 1.131 176 F CA 1.120 59.143 58.000 0.037 0.000 1.467 176 F CB -0.407 38.613 39.000 0.034 0.000 1.097 176 F HN 0.008 nan 8.300 nan 0.000 0.586 177 K N -0.139 120.379 120.400 0.198 0.000 3.209 177 K HA -0.233 4.116 4.320 0.048 0.000 0.289 177 K C -0.252 176.437 176.600 0.148 0.000 1.191 177 K CA 0.431 56.804 56.287 0.142 0.000 0.851 177 K CB -1.631 30.942 32.500 0.121 0.000 1.242 177 K HN 0.295 nan 8.250 nan 0.000 0.480 178 L N -1.882 119.446 121.223 0.175 0.000 2.472 178 L HA 0.408 4.777 4.340 0.048 0.000 0.260 178 L C 1.173 178.127 176.870 0.140 0.000 1.209 178 L CA 0.010 54.938 54.840 0.147 0.000 0.817 178 L CB 0.562 42.691 42.059 0.117 0.000 1.106 178 L HN 0.055 nan 8.230 nan 0.000 0.479 179 S N -0.298 115.484 115.700 0.138 0.000 2.629 179 S HA 0.133 4.632 4.470 0.048 0.000 0.250 179 S C 0.361 175.071 174.600 0.184 0.000 1.318 179 S CA -0.178 58.103 58.200 0.136 0.000 0.970 179 S CB 0.051 63.324 63.200 0.121 0.000 0.996 179 S HN 0.669 nan 8.310 nan 0.000 0.563 180 K N 0.009 120.527 120.400 0.197 0.000 2.604 180 K HA 0.105 4.454 4.320 0.048 0.000 0.278 180 K C -0.526 176.341 176.600 0.445 0.000 0.975 180 K CA 0.720 57.172 56.287 0.275 0.000 1.066 180 K CB -0.230 32.397 32.500 0.210 0.000 0.840 180 K HN 0.428 nan 8.250 nan 0.000 0.491 181 V N 4.163 124.377 119.914 0.501 0.000 2.752 181 V HA 0.787 4.936 4.120 0.048 0.000 0.302 181 V C -1.944 174.479 176.094 0.550 0.000 1.133 181 V CA -0.502 62.074 62.300 0.459 0.000 0.919 181 V CB 0.635 32.623 31.823 0.275 0.000 1.026 181 V HN 0.879 nan 8.190 nan 0.000 0.429 182 W N 4.902 126.319 121.300 0.194 0.000 3.274 182 W HA 0.886 5.574 4.660 0.047 0.000 0.353 182 W C -0.870 175.776 176.519 0.211 0.000 1.147 182 W CA -1.278 56.166 57.345 0.166 0.000 1.054 182 W CB 1.043 30.576 29.460 0.121 0.000 1.510 182 W HN 0.567 nan 8.180 nan 0.000 0.602 183 R N 0.496 121.190 120.500 0.325 0.000 2.832 183 R HA 0.433 4.802 4.340 0.048 0.000 0.271 183 R C -1.764 174.723 176.300 0.312 0.000 0.996 183 R CA -0.873 55.343 56.100 0.193 0.000 0.977 183 R CB 1.805 32.194 30.300 0.147 0.000 1.168 183 R HN 0.475 nan 8.270 nan 0.000 0.482 184 D N 0.932 121.487 120.400 0.258 0.000 2.473 184 D HA 0.082 4.751 4.640 0.048 0.000 0.253 184 D C -1.216 175.156 176.300 0.121 0.000 1.233 184 D CA -0.408 53.774 54.000 0.303 0.000 0.908 184 D CB 1.241 42.393 40.800 0.586 0.000 1.170 184 D HN 0.301 nan 8.370 nan 0.000 0.558 185 Q N 2.533 122.318 119.800 -0.025 0.000 2.259 185 Q HA 0.391 4.760 4.340 0.048 0.000 0.246 185 Q C -0.948 174.849 176.000 -0.339 0.000 0.920 185 Q CA -0.383 55.361 55.803 -0.099 0.000 0.895 185 Q CB 0.733 29.467 28.738 -0.007 0.000 1.220 185 Q HN 0.547 nan 8.270 nan 0.000 0.439 186 H N 2.163 121.222 119.070 -0.018 0.000 3.112 186 H HA 0.252 4.838 4.556 0.050 0.000 0.347 186 H C -1.618 173.620 175.328 -0.150 0.000 1.188 186 H CA -0.478 55.593 56.048 0.039 0.000 1.240 186 H CB 0.792 30.608 29.762 0.091 0.000 1.920 186 H HN 0.594 nan 8.280 nan 0.000 0.535 187 F N 2.383 122.475 119.950 0.238 0.000 2.359 187 F HA 0.307 4.863 4.527 0.048 0.000 0.369 187 F C 0.433 176.335 175.800 0.170 0.000 1.084 187 F CA -0.763 57.343 58.000 0.177 0.000 1.096 187 F CB 1.214 40.314 39.000 0.166 0.000 1.335 187 F HN 0.204 nan 8.300 nan 0.000 0.457 188 V N -0.068 119.982 119.914 0.226 0.000 2.769 188 V HA 0.595 4.744 4.120 0.048 0.000 0.312 188 V C -0.377 175.827 176.094 0.184 0.000 1.058 188 V CA -1.190 61.228 62.300 0.198 0.000 0.952 188 V CB 1.938 33.831 31.823 0.116 0.000 1.019 188 V HN 0.497 nan 8.190 nan 0.000 0.445 189 K N 3.237 123.789 120.400 0.254 0.000 2.284 189 K HA 0.511 4.860 4.320 0.048 0.000 0.287 189 K C -1.045 175.676 176.600 0.202 0.000 1.081 189 K CA -0.326 56.107 56.287 0.242 0.000 0.910 189 K CB 1.204 33.881 32.500 0.294 0.000 1.088 189 K HN 0.563 nan 8.250 nan 0.000 0.478 190 I N 1.965 122.518 120.570 -0.028 0.000 2.793 190 I HA 0.139 4.338 4.170 0.048 0.000 0.313 190 I C 0.033 176.041 176.117 -0.181 0.000 0.998 190 I CA -0.476 60.635 61.300 -0.316 0.000 1.140 190 I CB 1.759 39.364 38.000 -0.659 0.000 1.327 190 I HN 0.493 nan 8.210 nan 0.000 0.491 191 Q N 3.882 123.563 119.800 -0.198 0.000 2.312 191 Q HA 0.761 5.130 4.340 0.048 0.000 0.263 191 Q C -1.658 174.495 176.000 0.255 0.000 0.995 191 Q CA -0.687 55.120 55.803 0.007 0.000 0.853 191 Q CB 1.873 30.572 28.738 -0.065 0.000 1.300 191 Q HN 0.554 nan 8.270 nan 0.000 0.448 192 V N -0.031 119.947 119.914 0.108 0.000 3.102 192 V HA 0.567 4.716 4.120 0.048 0.000 0.312 192 V C -0.737 175.188 176.094 -0.282 0.000 1.135 192 V CA -1.316 60.946 62.300 -0.063 0.000 1.022 192 V CB 1.703 33.505 31.823 -0.035 0.000 1.056 192 V HN 0.830 nan 8.190 nan 0.000 0.436 193 K N 1.563 121.615 120.400 -0.581 0.000 2.383 193 K HA 0.152 4.501 4.320 0.048 0.000 0.286 193 K C -0.256 176.237 176.600 -0.179 0.000 1.051 193 K CA -0.001 56.038 56.287 -0.412 0.000 0.974 193 K CB 0.273 32.515 32.500 -0.429 0.000 0.968 193 K HN 0.974 nan 8.250 nan 0.000 0.475 194 D N 1.942 122.279 120.400 -0.106 0.000 2.357 194 D HA -0.049 4.619 4.640 0.048 0.000 0.242 194 D C 1.090 177.360 176.300 -0.050 0.000 1.153 194 D CA 0.250 54.215 54.000 -0.059 0.000 0.918 194 D CB 1.060 41.841 40.800 -0.031 0.000 1.181 194 D HN 0.480 nan 8.370 nan 0.000 0.435 195 S N 1.732 117.410 115.700 -0.037 0.000 2.407 195 S HA -0.180 4.319 4.470 0.048 0.000 0.235 195 S C 1.088 175.674 174.600 -0.023 0.000 1.036 195 S CA 0.593 58.775 58.200 -0.029 0.000 1.013 195 S CB -0.648 62.538 63.200 -0.022 0.000 0.820 195 S HN 0.638 nan 8.310 nan 0.000 0.476 196 A N 2.308 125.116 122.820 -0.020 0.000 2.450 196 A HA 0.380 4.729 4.320 0.048 0.000 0.255 196 A C 0.415 177.990 177.584 -0.015 0.000 1.096 196 A CA -0.396 51.633 52.037 -0.014 0.000 0.778 196 A CB 0.171 19.166 19.000 -0.009 0.000 1.031 196 A HN 0.321 nan 8.150 nan 0.000 0.494 197 Q N 1.916 121.709 119.800 -0.011 0.000 2.304 197 Q HA 0.105 4.474 4.340 0.048 0.000 0.260 197 Q C -0.302 175.695 176.000 -0.004 0.000 0.965 197 Q CA 0.190 55.988 55.803 -0.008 0.000 0.898 197 Q CB 0.588 29.322 28.738 -0.007 0.000 1.196 197 Q HN 0.760 nan 8.270 nan 0.000 0.402 198 N N 1.035 119.735 118.700 0.001 0.000 2.529 198 N HA 0.287 5.056 4.740 0.048 0.000 0.278 198 N C -0.447 175.065 175.510 0.003 0.000 1.146 198 N CA 0.061 53.116 53.050 0.008 0.000 0.980 198 N CB 1.201 39.701 38.487 0.022 0.000 1.124 198 N HN 0.578 nan 8.380 nan 0.000 0.458 199 S N -1.219 114.481 115.700 -0.001 0.000 2.567 199 S HA 0.506 5.004 4.470 0.048 0.000 0.270 199 S C -0.908 173.683 174.600 -0.015 0.000 1.152 199 S CA -0.970 57.222 58.200 -0.013 0.000 0.835 199 S CB 1.006 64.192 63.200 -0.023 0.000 1.115 199 S HN 0.278 nan 8.310 nan 0.000 0.459 200 V N -0.194 119.702 119.914 -0.029 0.000 2.495 200 V HA 0.938 5.086 4.120 0.048 0.000 0.298 200 V C -0.784 175.281 176.094 -0.048 0.000 1.031 200 V CA -0.663 61.618 62.300 -0.031 0.000 0.871 200 V CB 0.856 32.658 31.823 -0.035 0.000 0.988 200 V HN 1.081 nan 8.190 nan 0.000 0.432 201 I N 4.883 125.431 120.570 -0.037 0.000 2.571 201 I HA 0.593 4.792 4.170 0.048 0.000 0.289 201 I C -0.561 175.541 176.117 -0.025 0.000 1.115 201 I CA -0.891 60.383 61.300 -0.043 0.000 1.045 201 I CB 1.827 39.804 38.000 -0.038 0.000 1.238 201 I HN 0.715 nan 8.210 nan 0.000 0.424 202 I N 7.750 128.304 120.570 -0.026 0.000 2.496 202 I HA 0.500 4.699 4.170 0.048 0.000 0.285 202 I C -0.228 175.889 176.117 0.001 0.000 1.080 202 I CA -0.385 60.911 61.300 -0.007 0.000 1.404 202 I CB 0.995 38.995 38.000 -0.001 0.000 1.403 202 I HN 0.528 nan 8.210 nan 0.000 0.539 203 V N 4.856 124.776 119.914 0.008 0.000 3.108 203 V HA 0.318 4.467 4.120 0.048 0.000 0.287 203 V C -1.188 174.916 176.094 0.016 0.000 1.436 203 V CA -0.446 61.860 62.300 0.011 0.000 1.001 203 V CB 2.174 34.002 31.823 0.007 0.000 1.141 203 V HN 0.839 nan 8.190 nan 0.000 0.443 204 D N 3.186 123.597 120.400 0.017 0.000 2.825 204 D HA 0.385 5.054 4.640 0.048 0.000 0.249 204 D C 0.846 177.156 176.300 0.018 0.000 1.286 204 D CA 0.515 54.527 54.000 0.019 0.000 1.168 204 D CB 0.693 41.505 40.800 0.021 0.000 0.926 204 D HN 0.656 nan 8.370 nan 0.000 0.216 205 K N -0.227 120.184 120.400 0.017 0.000 2.577 205 K HA 0.243 4.592 4.320 0.048 0.000 0.210 205 K C -0.951 175.657 176.600 0.014 0.000 1.048 205 K CA -0.143 56.153 56.287 0.015 0.000 1.188 205 K CB -0.432 32.077 32.500 0.015 0.000 0.910 205 K HN 0.274 nan 8.250 nan 0.000 0.483 206 N N -2.006 116.702 118.700 0.014 0.000 2.521 206 N HA 0.149 4.918 4.740 0.048 0.000 0.269 206 N C 0.132 175.649 175.510 0.012 0.000 1.079 206 N CA -0.740 52.318 53.050 0.012 0.000 0.980 206 N CB 0.734 39.229 38.487 0.013 0.000 1.667 206 N HN -0.055 nan 8.380 nan 0.000 0.498 207 G N 1.311 110.117 108.800 0.009 0.000 2.065 207 G HA2 -0.151 3.838 3.960 0.048 0.000 0.396 207 G HA3 -0.151 3.838 3.960 0.048 0.000 0.396 207 G C 0.101 175.005 174.900 0.007 0.000 1.446 207 G CA 0.012 45.116 45.100 0.007 0.000 1.047 207 G HN 0.978 nan 8.290 nan 0.000 0.473 208 R N -0.352 120.150 120.500 0.003 0.000 1.997 208 R HA -0.117 4.252 4.340 0.048 0.000 0.151 208 R C 0.230 176.537 176.300 0.012 0.000 0.389 208 R CA -0.025 56.077 56.100 0.003 0.000 0.416 208 R CB -1.541 28.761 30.300 0.004 0.000 1.683 208 R HN 0.230 nan 8.270 nan 0.000 0.565 209 L N 0.691 121.922 121.223 0.013 0.000 2.453 209 L HA 0.197 4.566 4.340 0.048 0.000 0.261 209 L C 1.280 178.170 176.870 0.034 0.000 1.179 209 L CA 0.225 55.079 54.840 0.022 0.000 0.813 209 L CB 1.053 43.124 42.059 0.021 0.000 1.110 209 L HN 0.219 nan 8.230 nan 0.000 0.466 210 V N 2.748 122.691 119.914 0.049 0.000 1.990 210 V HA -0.397 3.752 4.120 0.048 0.000 0.136 210 V C 0.249 176.422 176.094 0.131 0.000 2.165 210 V CA 1.569 63.917 62.300 0.080 0.000 1.859 210 V CB -0.839 31.030 31.823 0.077 0.000 1.196 210 V HN 1.016 nan 8.190 nan 0.000 0.410 211 Y N -0.440 119.859 120.300 -0.001 0.000 2.511 211 Y HA 0.352 4.931 4.550 0.048 0.000 0.347 211 Y C 0.385 176.283 175.900 -0.004 0.000 1.257 211 Y CA -0.170 57.929 58.100 -0.003 0.000 1.469 211 Y CB 0.604 39.061 38.460 -0.005 0.000 1.353 211 Y HN 0.741 nan 8.280 nan 0.000 0.617 212 L N 6.593 127.417 121.223 -0.665 0.000 2.462 212 L HA 0.099 4.468 4.340 0.048 0.000 0.283 212 L C 0.397 176.845 176.870 -0.704 0.000 1.166 212 L CA 0.141 54.633 54.840 -0.579 0.000 0.964 212 L CB -0.601 41.208 42.059 -0.417 0.000 1.294 212 L HN 0.777 nan 8.230 nan 0.000 0.449 213 V N 2.620 122.310 119.914 -0.374 0.000 2.300 213 V HA -0.233 3.915 4.120 0.048 0.000 0.234 213 V C 0.738 176.697 176.094 -0.225 0.000 0.981 213 V CA 1.764 63.915 62.300 -0.248 0.000 1.026 213 V CB -0.699 31.042 31.823 -0.136 0.000 0.678 213 V HN 0.865 nan 8.190 nan 0.000 0.503 214 E N -1.604 118.510 120.200 -0.144 0.000 2.388 214 E HA 0.322 4.701 4.350 0.048 0.000 0.282 214 E C -1.320 175.246 176.600 -0.056 0.000 1.026 214 E CA -0.462 55.880 56.400 -0.096 0.000 0.820 214 E CB 0.959 30.622 29.700 -0.061 0.000 1.226 214 E HN 0.353 nan 8.360 nan 0.000 0.432 215 N N 3.934 122.613 118.700 -0.036 0.000 3.091 215 N HA 0.301 5.070 4.740 0.048 0.000 0.255 215 N C -2.536 172.980 175.510 0.011 0.000 1.204 215 N CA -1.388 51.654 53.050 -0.013 0.000 0.990 215 N CB 0.841 39.322 38.487 -0.011 0.000 1.260 215 N HN 0.211 nan 8.380 nan 0.000 0.502 216 P HA -0.104 nan 4.420 nan 0.000 0.262 216 P C 1.145 178.491 177.300 0.075 0.000 1.151 216 P CA 0.435 63.554 63.100 0.032 0.000 0.757 216 P CB 0.697 32.403 31.700 0.011 0.000 0.754 217 G N 2.599 111.469 108.800 0.116 0.000 2.464 217 G HA2 0.146 4.135 3.960 0.048 0.000 0.217 217 G HA3 0.146 4.135 3.960 0.048 0.000 0.217 217 G C 0.741 175.844 174.900 0.338 0.000 1.138 217 G CA 0.682 45.896 45.100 0.190 0.000 0.793 217 G HN 0.693 nan 8.290 nan 0.000 0.539 218 G N -1.228 107.735 108.800 0.271 0.000 2.938 218 G HA2 0.650 4.639 3.960 0.048 0.000 0.258 218 G HA3 0.650 4.639 3.960 0.048 0.000 0.258 218 G C -1.057 173.961 174.900 0.196 0.000 1.356 218 G CA -0.782 44.465 45.100 0.245 0.000 1.052 218 G HN 0.569 nan 8.290 nan 0.000 0.550 219 Y N -3.534 116.633 120.300 -0.222 0.000 2.689 219 Y HA 0.628 5.208 4.550 0.050 0.000 0.333 219 Y C -1.388 174.338 175.900 -0.290 0.000 1.208 219 Y CA -1.541 56.458 58.100 -0.169 0.000 1.055 219 Y CB 1.390 39.835 38.460 -0.025 0.000 1.304 219 Y HN 0.405 nan 8.280 nan 0.000 0.455 220 V N 2.976 122.672 119.914 -0.362 0.000 2.311 220 V HA 0.662 4.811 4.120 0.048 0.000 0.275 220 V C 0.705 176.583 176.094 -0.360 0.000 1.022 220 V CA -0.299 61.681 62.300 -0.533 0.000 0.830 220 V CB 0.223 31.890 31.823 -0.261 0.000 1.012 220 V HN 1.019 nan 8.190 nan 0.000 0.452 221 A N 3.758 126.226 122.820 -0.587 0.000 2.504 221 A HA 0.279 4.628 4.320 0.048 0.000 0.242 221 A C 0.616 178.209 177.584 0.014 0.000 1.100 221 A CA 0.331 52.231 52.037 -0.229 0.000 0.786 221 A CB -0.564 18.248 19.000 -0.314 0.000 1.050 221 A HN 1.081 nan 8.150 nan 0.000 0.512 222 Y N -0.889 119.498 120.300 0.145 0.000 4.317 222 Y HA -0.234 4.347 4.550 0.051 0.000 0.212 222 Y C 1.295 177.253 175.900 0.098 0.000 1.080 222 Y CA 0.986 59.158 58.100 0.120 0.000 1.735 222 Y CB -1.934 36.572 38.460 0.076 0.000 1.567 222 Y HN 0.684 nan 8.280 nan 0.000 0.619 223 S N 0.755 116.561 115.700 0.176 0.000 2.576 223 S HA 0.293 4.791 4.470 0.048 0.000 0.276 223 S C 0.280 174.960 174.600 0.133 0.000 1.339 223 S CA -0.825 57.456 58.200 0.135 0.000 1.039 223 S CB 0.776 64.034 63.200 0.096 0.000 0.902 223 S HN 0.280 nan 8.310 nan 0.000 0.516 224 K N 3.272 123.739 120.400 0.113 0.000 2.472 224 K HA 0.243 4.592 4.320 0.048 0.000 0.280 224 K C -0.207 176.444 176.600 0.085 0.000 1.028 224 K CA 0.515 56.861 56.287 0.098 0.000 1.045 224 K CB -0.008 32.541 32.500 0.081 0.000 0.902 224 K HN 0.595 nan 8.250 nan 0.000 0.478 225 A N 3.880 126.749 122.820 0.081 0.000 2.539 225 A HA 0.578 4.926 4.320 0.048 0.000 0.306 225 A C -0.246 177.369 177.584 0.051 0.000 1.392 225 A CA 0.360 52.436 52.037 0.065 0.000 1.060 225 A CB -0.728 18.309 19.000 0.062 0.000 1.134 225 A HN 0.960 nan 8.150 nan 0.000 0.542 226 A N 1.512 124.359 122.820 0.046 0.000 2.483 226 A HA 0.878 5.227 4.320 0.048 0.000 0.306 226 A C -0.412 177.192 177.584 0.034 0.000 1.137 226 A CA 0.145 52.205 52.037 0.038 0.000 0.626 226 A CB 0.630 19.654 19.000 0.040 0.000 1.352 226 A HN 1.519 nan 8.150 nan 0.000 0.508 227 T N -0.228 114.343 114.554 0.029 0.000 3.172 227 T HA 0.625 5.004 4.350 0.048 0.000 0.320 227 T C -1.348 173.367 174.700 0.024 0.000 1.085 227 T CA 0.262 62.377 62.100 0.025 0.000 1.052 227 T CB 0.515 69.395 68.868 0.019 0.000 1.107 227 T HN 2.207 nan 8.240 nan 0.000 0.458 228 V N 1.463 121.392 119.914 0.026 0.000 3.159 228 V HA 0.998 5.147 4.120 0.048 0.000 0.308 228 V C -0.498 175.611 176.094 0.025 0.000 1.190 228 V CA -0.735 61.580 62.300 0.026 0.000 1.037 228 V CB 1.575 33.415 31.823 0.029 0.000 1.060 228 V HN 0.942 nan 8.190 nan 0.000 0.437 229 T N 0.057 114.625 114.554 0.024 0.000 2.903 229 T HA 0.957 5.336 4.350 0.048 0.000 0.299 229 T C -0.192 174.524 174.700 0.027 0.000 1.093 229 T CA 0.495 62.609 62.100 0.024 0.000 1.002 229 T CB 1.401 70.281 68.868 0.019 0.000 1.127 229 T HN 2.423 nan 8.240 nan 0.000 0.488 230 G N 2.098 110.916 108.800 0.030 0.000 2.336 230 G HA2 0.304 4.293 3.960 0.048 0.000 0.286 230 G HA3 0.304 4.293 3.960 0.048 0.000 0.286 230 G C -1.491 173.433 174.900 0.040 0.000 1.269 230 G CA -0.913 44.207 45.100 0.033 0.000 0.873 230 G HN 0.831 nan 8.290 nan 0.000 0.494 231 K N -0.751 119.676 120.400 0.044 0.000 2.344 231 K HA 0.362 4.711 4.320 0.048 0.000 0.260 231 K C -0.848 175.792 176.600 0.067 0.000 0.988 231 K CA -0.044 56.276 56.287 0.054 0.000 0.909 231 K CB 0.948 33.480 32.500 0.054 0.000 0.968 231 K HN 0.368 nan 8.250 nan 0.000 0.505 232 L N 2.160 123.434 121.223 0.084 0.000 2.454 232 L HA 0.209 4.578 4.340 0.048 0.000 0.258 232 L C -1.037 175.926 176.870 0.154 0.000 1.025 232 L CA -0.545 54.360 54.840 0.109 0.000 0.901 232 L CB 1.334 43.450 42.059 0.095 0.000 1.210 232 L HN 0.324 nan 8.230 nan 0.000 0.457 233 V N 2.661 122.671 119.914 0.161 0.000 2.953 233 V HA 0.260 4.409 4.120 0.048 0.000 0.304 233 V C -0.370 175.904 176.094 0.299 0.000 1.073 233 V CA -0.529 61.892 62.300 0.202 0.000 1.064 233 V CB 1.264 33.178 31.823 0.152 0.000 1.047 233 V HN 0.781 nan 8.190 nan 0.000 0.478 234 H N 2.285 121.485 119.070 0.217 0.000 2.645 234 H HA 0.623 5.209 4.556 0.050 0.000 0.257 234 H C -0.070 175.406 175.328 0.247 0.000 1.269 234 H CA -0.391 55.818 56.048 0.269 0.000 1.409 234 H CB 0.437 30.410 29.762 0.353 0.000 1.434 234 H HN 0.778 nan 8.280 nan 0.000 0.505 235 A N 4.640 127.459 122.820 -0.002 0.000 2.666 235 A HA 0.177 4.526 4.320 0.048 0.000 0.312 235 A C 0.444 177.847 177.584 -0.302 0.000 1.471 235 A CA -0.520 51.473 52.037 -0.073 0.000 1.134 235 A CB -0.961 18.064 19.000 0.043 0.000 1.129 235 A HN 0.921 nan 8.150 nan 0.000 0.539 236 N N 2.098 120.378 118.700 -0.699 0.000 2.098 236 N HA -0.161 4.608 4.740 0.048 0.000 0.268 236 N C -0.172 175.159 175.510 -0.299 0.000 1.238 236 N CA 0.872 53.334 53.050 -0.979 0.000 0.822 236 N CB -0.624 36.439 38.487 -2.372 0.000 1.063 236 N HN 0.599 nan 8.380 nan 0.000 0.471 237 F N 0.912 120.719 119.950 -0.238 0.000 2.284 237 F HA -0.242 4.316 4.527 0.052 0.000 0.197 237 F C 1.694 177.429 175.800 -0.108 0.000 1.023 237 F CA 0.040 57.984 58.000 -0.093 0.000 0.858 237 F CB -1.313 37.736 39.000 0.083 0.000 0.933 237 F HN 0.866 nan 8.300 nan 0.000 0.803 238 G N 3.231 112.053 108.800 0.036 0.000 2.379 238 G HA2 -0.212 3.777 3.960 0.048 0.000 0.281 238 G HA3 -0.212 3.777 3.960 0.048 0.000 0.281 238 G C 0.938 175.806 174.900 -0.053 0.000 0.855 238 G CA 1.354 46.422 45.100 -0.053 0.000 1.105 238 G HN 1.978 nan 8.290 nan 0.000 0.482 239 T N -3.090 111.469 114.554 0.009 0.000 10.479 239 T HA -0.495 3.884 4.350 0.048 0.000 0.411 239 T C 1.538 176.151 174.700 -0.145 0.000 1.504 239 T CA 2.569 64.680 62.100 0.018 0.000 2.475 239 T CB -1.675 67.194 68.868 0.001 0.000 2.895 239 T HN 2.064 nan 8.240 nan 0.000 1.096 240 K N 1.526 121.753 120.400 -0.289 0.000 3.445 240 K HA -0.438 3.911 4.320 0.048 0.000 0.316 240 K C 0.985 177.380 176.600 -0.341 0.000 1.278 240 K CA 2.848 58.831 56.287 -0.505 0.000 0.976 240 K CB -1.262 30.482 32.500 -1.260 0.000 1.238 240 K HN 1.002 nan 8.250 nan 0.000 0.430 241 K N -1.518 118.767 120.400 -0.191 0.000 3.467 241 K HA -0.341 4.008 4.320 0.048 0.000 0.375 241 K C 0.795 177.347 176.600 -0.080 0.000 0.589 241 K CA 2.275 58.498 56.287 -0.107 0.000 1.651 241 K CB -1.547 30.887 32.500 -0.110 0.000 1.135 241 K HN 0.416 nan 8.250 nan 0.000 0.459 242 D N -0.299 120.005 120.400 -0.160 0.000 2.107 242 D HA 0.012 4.681 4.640 0.048 0.000 0.204 242 D C 1.680 178.051 176.300 0.119 0.000 0.978 242 D CA 1.760 55.721 54.000 -0.065 0.000 0.852 242 D CB -0.430 40.267 40.800 -0.172 0.000 1.008 242 D HN 0.458 nan 8.370 nan 0.000 0.458 243 F N 0.717 120.648 119.950 -0.032 0.000 2.323 243 F HA -0.143 4.420 4.527 0.061 0.000 0.301 243 F C 2.205 178.017 175.800 0.020 0.000 1.060 243 F CA 0.333 58.309 58.000 -0.042 0.000 1.398 243 F CB -0.035 38.838 39.000 -0.210 0.000 1.075 243 F HN 0.050 nan 8.300 nan 0.000 0.540 244 E N 0.131 120.439 120.200 0.180 0.000 2.265 244 E HA -0.156 4.222 4.350 0.048 0.000 0.196 244 E C 0.385 177.064 176.600 0.132 0.000 0.996 244 E CA 0.798 57.273 56.400 0.126 0.000 0.832 244 E CB -0.468 29.274 29.700 0.069 0.000 0.756 244 E HN 0.404 nan 8.360 nan 0.000 0.491 245 D N 1.307 121.797 120.400 0.150 0.000 2.767 245 D HA 0.090 4.759 4.640 0.048 0.000 0.231 245 D C 0.349 176.751 176.300 0.170 0.000 1.105 245 D CA 0.100 54.181 54.000 0.136 0.000 1.024 245 D CB -0.399 40.476 40.800 0.124 0.000 1.123 245 D HN 0.080 nan 8.370 nan 0.000 0.470 246 L N -2.249 119.077 121.223 0.172 0.000 2.256 246 L HA 0.439 4.808 4.340 0.048 0.000 0.261 246 L C 1.119 178.092 176.870 0.171 0.000 1.022 246 L CA -0.882 54.079 54.840 0.201 0.000 0.828 246 L CB 0.836 43.053 42.059 0.263 0.000 1.374 246 L HN -0.174 nan 8.230 nan 0.000 0.436 247 Y N 0.865 121.198 120.300 0.055 0.000 2.034 247 Y HA -0.065 4.514 4.550 0.047 0.000 0.269 247 Y C 1.046 176.973 175.900 0.045 0.000 1.125 247 Y CA 1.971 60.092 58.100 0.035 0.000 1.097 247 Y CB -0.417 38.047 38.460 0.007 0.000 0.978 247 Y HN 0.702 nan 8.280 nan 0.000 0.480 248 T N 4.894 119.439 114.554 -0.014 0.000 2.871 248 T HA 0.092 4.470 4.350 0.048 0.000 0.296 248 T C -2.317 172.347 174.700 -0.059 0.000 0.998 248 T CA -0.809 61.233 62.100 -0.096 0.000 1.162 248 T CB 0.407 69.325 68.868 0.083 0.000 0.947 248 T HN 0.260 nan 8.240 nan 0.000 0.536 249 P HA 0.231 nan 4.420 nan 0.000 0.282 249 P C 0.565 177.868 177.300 0.005 0.000 1.249 249 P CA -0.550 62.525 63.100 -0.042 0.000 0.806 249 P CB 1.122 32.781 31.700 -0.067 0.000 0.984 250 V N -1.889 118.039 119.914 0.024 0.000 3.483 250 V HA 0.204 4.352 4.120 0.048 0.000 0.301 250 V C 0.857 176.970 176.094 0.032 0.000 1.389 250 V CA -0.265 62.059 62.300 0.040 0.000 1.101 250 V CB -1.395 30.460 31.823 0.054 0.000 0.971 250 V HN 0.395 nan 8.190 nan 0.000 0.434 251 N N 3.544 122.255 118.700 0.019 0.000 2.374 251 N HA 0.221 4.990 4.740 0.048 0.000 0.298 251 N C 1.028 176.550 175.510 0.021 0.000 1.273 251 N CA 1.351 54.412 53.050 0.017 0.000 1.093 251 N CB -0.857 37.634 38.487 0.007 0.000 1.486 251 N HN 0.976 nan 8.380 nan 0.000 0.488 252 G N 1.779 110.595 108.800 0.027 0.000 2.638 252 G HA2 -0.085 3.904 3.960 0.048 0.000 0.269 252 G HA3 -0.085 3.904 3.960 0.048 0.000 0.269 252 G C -0.681 174.239 174.900 0.034 0.000 1.141 252 G CA 0.041 45.158 45.100 0.029 0.000 1.081 252 G HN 1.200 nan 8.290 nan 0.000 0.527 253 S N -0.914 114.811 115.700 0.041 0.000 2.558 253 S HA 0.662 5.161 4.470 0.048 0.000 0.277 253 S C -0.176 174.458 174.600 0.058 0.000 1.143 253 S CA -0.974 57.255 58.200 0.048 0.000 0.865 253 S CB 1.363 64.594 63.200 0.051 0.000 1.102 253 S HN 0.934 nan 8.310 nan 0.000 0.454 254 I N 1.695 122.301 120.570 0.061 0.000 2.892 254 I HA 0.295 4.494 4.170 0.048 0.000 0.287 254 I C -0.309 175.862 176.117 0.091 0.000 1.205 254 I CA -0.240 61.101 61.300 0.069 0.000 1.409 254 I CB 0.577 38.615 38.000 0.062 0.000 1.367 254 I HN 0.491 nan 8.210 nan 0.000 0.597 255 V N 6.397 126.371 119.914 0.100 0.000 2.876 255 V HA 0.492 4.641 4.120 0.048 0.000 0.312 255 V C -0.132 176.061 176.094 0.165 0.000 1.085 255 V CA -0.623 61.757 62.300 0.133 0.000 0.945 255 V CB 2.201 34.090 31.823 0.109 0.000 1.017 255 V HN 0.434 nan 8.190 nan 0.000 0.428 256 I N 3.762 124.485 120.570 0.255 0.000 2.562 256 I HA 0.815 5.013 4.170 0.048 0.000 0.301 256 I C -0.561 175.769 176.117 0.355 0.000 1.003 256 I CA -0.915 60.598 61.300 0.355 0.000 1.127 256 I CB 2.004 40.324 38.000 0.532 0.000 1.304 256 I HN 0.551 nan 8.210 nan 0.000 0.446 257 V N 2.024 122.078 119.914 0.234 0.000 3.178 257 V HA 0.609 4.758 4.120 0.048 0.000 0.302 257 V C -0.903 175.097 176.094 -0.156 0.000 1.262 257 V CA -1.156 61.172 62.300 0.047 0.000 1.030 257 V CB 2.043 33.860 31.823 -0.010 0.000 1.074 257 V HN 0.731 nan 8.190 nan 0.000 0.438 258 R N 1.645 122.040 120.500 -0.176 0.000 2.500 258 R HA 0.820 5.189 4.340 0.048 0.000 0.277 258 R C 0.074 176.369 176.300 -0.008 0.000 1.026 258 R CA 0.008 55.962 56.100 -0.243 0.000 1.058 258 R CB 1.624 31.858 30.300 -0.111 0.000 1.078 258 R HN 1.156 nan 8.270 nan 0.000 0.509 259 A N 1.430 124.205 122.820 -0.075 0.000 2.347 259 A HA 0.558 4.907 4.320 0.048 0.000 0.287 259 A C 0.366 178.003 177.584 0.088 0.000 1.199 259 A CA 0.457 52.392 52.037 -0.170 0.000 0.851 259 A CB 0.180 18.974 19.000 -0.344 0.000 1.118 259 A HN 0.888 nan 8.150 nan 0.000 0.525 260 G N 1.446 110.107 108.800 -0.232 0.000 3.218 260 G HA2 0.150 4.139 3.960 0.048 0.000 0.143 260 G HA3 0.150 4.139 3.960 0.048 0.000 0.143 260 G C 0.721 175.231 174.900 -0.650 0.000 1.220 260 G CA 0.045 44.800 45.100 -0.576 0.000 1.382 260 G HN 0.471 nan 8.290 nan 0.000 0.682 261 K N 0.147 119.940 120.400 -1.013 0.000 2.163 261 K HA -0.154 4.195 4.320 0.048 0.000 0.210 261 K C 1.414 177.779 176.600 -0.391 0.000 1.048 261 K CA 2.021 57.947 56.287 -0.601 0.000 0.928 261 K CB -0.562 31.605 32.500 -0.556 0.000 0.716 261 K HN 0.567 nan 8.250 nan 0.000 0.459 262 I N -3.004 117.345 120.570 -0.368 0.000 3.522 262 I HA 0.276 4.474 4.170 0.048 0.000 0.292 262 I C -0.022 175.957 176.117 -0.230 0.000 1.147 262 I CA -1.222 59.914 61.300 -0.274 0.000 1.032 262 I CB 1.732 39.579 38.000 -0.256 0.000 1.337 262 I HN -0.185 nan 8.210 nan 0.000 0.496 263 T N -1.897 112.551 114.554 -0.177 0.000 2.902 263 T HA 0.435 4.813 4.350 0.048 0.000 0.283 263 T C 0.590 175.267 174.700 -0.038 0.000 1.009 263 T CA -0.457 61.593 62.100 -0.082 0.000 1.051 263 T CB 1.088 69.890 68.868 -0.109 0.000 0.999 263 T HN 0.462 nan 8.240 nan 0.000 0.474 264 F N 1.643 121.515 119.950 -0.130 0.000 2.085 264 F HA -0.134 4.420 4.527 0.045 0.000 0.299 264 F C 2.968 178.709 175.800 -0.097 0.000 1.096 264 F CA 2.044 59.985 58.000 -0.099 0.000 1.227 264 F CB -1.427 37.508 39.000 -0.108 0.000 0.983 264 F HN 0.816 nan 8.300 nan 0.000 0.482 265 A N -0.091 122.782 122.820 0.089 0.000 1.896 265 A HA -0.308 4.041 4.320 0.048 0.000 0.220 265 A C 2.169 179.737 177.584 -0.026 0.000 1.206 265 A CA 2.379 54.412 52.037 -0.007 0.000 0.647 265 A CB -1.048 17.869 19.000 -0.137 0.000 0.828 265 A HN 0.527 nan 8.150 nan 0.000 0.455 266 E N -0.426 119.732 120.200 -0.071 0.000 2.047 266 E HA -0.185 4.194 4.350 0.048 0.000 0.191 266 E C 2.147 178.705 176.600 -0.070 0.000 0.987 266 E CA 1.293 57.641 56.400 -0.086 0.000 0.799 266 E CB -0.202 29.419 29.700 -0.132 0.000 0.752 266 E HN 0.612 nan 8.360 nan 0.000 0.449 267 K N 0.618 120.969 120.400 -0.081 0.000 2.034 267 K HA -0.190 4.159 4.320 0.048 0.000 0.214 267 K C 2.284 178.869 176.600 -0.024 0.000 1.051 267 K CA 1.759 58.000 56.287 -0.076 0.000 0.931 267 K CB -0.406 32.023 32.500 -0.118 0.000 0.715 267 K HN 0.005 nan 8.250 nan 0.000 0.446 268 V N 1.476 121.395 119.914 0.008 0.000 2.261 268 V HA -0.286 3.862 4.120 0.048 0.000 0.246 268 V C 2.477 178.585 176.094 0.024 0.000 1.047 268 V CA 2.025 64.345 62.300 0.033 0.000 1.015 268 V CB -0.999 30.861 31.823 0.063 0.000 0.642 268 V HN 0.409 nan 8.190 nan 0.000 0.446 269 A N 1.039 123.868 122.820 0.015 0.000 1.896 269 A HA -0.330 4.018 4.320 0.048 0.000 0.220 269 A C 2.087 179.676 177.584 0.007 0.000 1.206 269 A CA 2.553 54.596 52.037 0.011 0.000 0.647 269 A CB -0.893 18.105 19.000 -0.004 0.000 0.828 269 A HN 0.653 nan 8.150 nan 0.000 0.455 270 N N 0.307 119.002 118.700 -0.008 0.000 2.084 270 N HA -0.137 4.632 4.740 0.048 0.000 0.190 270 N C 1.993 177.509 175.510 0.010 0.000 1.030 270 N CA 1.641 54.687 53.050 -0.007 0.000 0.849 270 N CB -0.787 37.683 38.487 -0.028 0.000 1.012 270 N HN 0.509 nan 8.380 nan 0.000 0.423 271 A N 1.411 124.240 122.820 0.015 0.000 1.903 271 A HA -0.247 4.102 4.320 0.048 0.000 0.219 271 A C 2.164 179.768 177.584 0.033 0.000 1.191 271 A CA 2.003 54.058 52.037 0.030 0.000 0.638 271 A CB -0.778 18.244 19.000 0.037 0.000 0.823 271 A HN 0.491 nan 8.150 nan 0.000 0.451 272 E N 0.076 120.295 120.200 0.032 0.000 2.208 272 E HA -0.134 4.245 4.350 0.048 0.000 0.193 272 E C 2.043 178.661 176.600 0.030 0.000 0.988 272 E CA 1.172 57.593 56.400 0.035 0.000 0.828 272 E CB -0.112 29.612 29.700 0.039 0.000 0.763 272 E HN 0.761 nan 8.360 nan 0.000 0.478 273 S N 0.134 115.850 115.700 0.025 0.000 2.447 273 S HA -0.066 4.433 4.470 0.048 0.000 0.233 273 S C 1.555 176.170 174.600 0.024 0.000 1.006 273 S CA 0.433 58.647 58.200 0.023 0.000 0.957 273 S CB 0.058 63.268 63.200 0.017 0.000 0.773 273 S HN 0.230 nan 8.310 nan 0.000 0.507 274 L N 1.713 122.952 121.223 0.026 0.000 2.653 274 L HA 0.372 4.741 4.340 0.048 0.000 0.231 274 L C 0.357 177.244 176.870 0.028 0.000 1.153 274 L CA 0.342 55.198 54.840 0.027 0.000 0.933 274 L CB -2.072 40.005 42.059 0.031 0.000 1.175 274 L HN 0.442 nan 8.230 nan 0.000 0.473 275 N N -0.723 117.994 118.700 0.029 0.000 2.818 275 N HA -0.169 4.600 4.740 0.048 0.000 0.250 275 N C 0.588 176.117 175.510 0.032 0.000 1.108 275 N CA 0.409 53.477 53.050 0.029 0.000 0.745 275 N CB -0.468 38.033 38.487 0.025 0.000 1.104 275 N HN 0.449 nan 8.380 nan 0.000 0.557 276 A N 0.259 123.100 122.820 0.037 0.000 2.250 276 A HA 0.786 5.135 4.320 0.048 0.000 0.283 276 A C 0.186 177.796 177.584 0.042 0.000 1.206 276 A CA 0.096 52.158 52.037 0.042 0.000 0.840 276 A CB 0.392 19.421 19.000 0.048 0.000 1.220 276 A HN 0.294 nan 8.150 nan 0.000 0.505 277 I N -3.322 117.276 120.570 0.046 0.000 2.692 277 I HA 0.667 4.866 4.170 0.048 0.000 0.293 277 I C 0.199 176.346 176.117 0.050 0.000 1.200 277 I CA 0.057 61.385 61.300 0.046 0.000 1.036 277 I CB 1.004 39.029 38.000 0.041 0.000 1.258 277 I HN 1.677 nan 8.210 nan 0.000 0.421 278 G N 2.746 111.577 108.800 0.051 0.000 2.892 278 G HA2 0.236 4.225 3.960 0.048 0.000 0.686 278 G HA3 0.236 4.225 3.960 0.048 0.000 0.686 278 G C -1.033 173.904 174.900 0.061 0.000 1.244 278 G CA -0.370 44.762 45.100 0.054 0.000 0.947 278 G HN 1.082 nan 8.290 nan 0.000 0.584 279 V N 3.609 123.561 119.914 0.064 0.000 2.777 279 V HA 0.630 4.778 4.120 0.048 0.000 0.306 279 V C -0.192 175.948 176.094 0.076 0.000 1.112 279 V CA -1.163 61.181 62.300 0.074 0.000 0.917 279 V CB 1.896 33.760 31.823 0.068 0.000 1.018 279 V HN 0.828 nan 8.190 nan 0.000 0.426 280 L N 5.141 126.421 121.223 0.095 0.000 2.329 280 L HA 0.661 5.029 4.340 0.048 0.000 0.279 280 L C -0.708 176.240 176.870 0.129 0.000 1.014 280 L CA -0.457 54.443 54.840 0.101 0.000 0.814 280 L CB 1.624 43.746 42.059 0.105 0.000 1.257 280 L HN 0.494 nan 8.230 nan 0.000 0.424 281 I N 4.357 124.999 120.570 0.119 0.000 2.389 281 I HA 0.406 4.605 4.170 0.048 0.000 0.288 281 I C -0.418 175.898 176.117 0.332 0.000 0.999 281 I CA -0.484 60.892 61.300 0.127 0.000 1.129 281 I CB 1.467 39.522 38.000 0.091 0.000 1.288 281 I HN 0.451 nan 8.210 nan 0.000 0.444 282 Y N 4.483 124.954 120.300 0.285 0.000 2.576 282 Y HA 0.797 5.378 4.550 0.051 0.000 0.346 282 Y C -0.997 174.972 175.900 0.114 0.000 1.018 282 Y CA -1.815 56.476 58.100 0.319 0.000 1.050 282 Y CB 1.441 39.999 38.460 0.164 0.000 1.280 282 Y HN 0.343 nan 8.280 nan 0.000 0.474 283 M N 4.342 124.027 119.600 0.142 0.000 2.365 283 M HA 0.200 4.709 4.480 0.048 0.000 0.350 283 M C -0.898 175.591 176.300 0.315 0.000 1.274 283 M CA -0.542 54.584 55.300 -0.291 0.000 1.252 283 M CB -0.103 31.928 32.600 -0.948 0.000 1.297 283 M HN 0.851 nan 8.290 nan 0.000 0.438 284 D N 0.764 121.489 120.400 0.542 0.000 2.341 284 D HA -0.117 4.552 4.640 0.048 0.000 0.235 284 D C 0.820 177.365 176.300 0.409 0.000 1.265 284 D CA 0.041 54.391 54.000 0.583 0.000 0.888 284 D CB 0.911 42.036 40.800 0.541 0.000 1.192 284 D HN 0.610 nan 8.370 nan 0.000 0.462 285 Q N -0.723 119.250 119.800 0.289 0.000 2.083 285 Q HA -0.158 4.211 4.340 0.048 0.000 0.198 285 Q C 1.974 178.069 176.000 0.158 0.000 0.969 285 Q CA 1.879 57.804 55.803 0.205 0.000 0.838 285 Q CB -0.233 28.593 28.738 0.147 0.000 0.900 285 Q HN 0.798 nan 8.270 nan 0.000 0.436 286 T N -0.613 114.022 114.554 0.136 0.000 2.674 286 T HA -0.129 4.250 4.350 0.048 0.000 0.265 286 T C 1.888 176.610 174.700 0.037 0.000 1.039 286 T CA 1.022 63.168 62.100 0.076 0.000 1.150 286 T CB -0.213 68.693 68.868 0.064 0.000 0.864 286 T HN 0.017 nan 8.240 nan 0.000 0.427 287 K N 0.691 121.128 120.400 0.062 0.000 2.103 287 K HA 0.140 4.488 4.320 0.048 0.000 0.204 287 K C -0.081 176.241 176.600 -0.463 0.000 1.052 287 K CA 0.651 56.860 56.287 -0.130 0.000 0.945 287 K CB -0.235 32.292 32.500 0.047 0.000 0.722 287 K HN 0.514 nan 8.250 nan 0.000 0.443 288 F N 1.171 121.152 119.950 0.051 0.000 2.451 288 F HA 0.293 4.848 4.527 0.046 0.000 0.367 288 F C -2.128 173.694 175.800 0.037 0.000 1.100 288 F CA -2.466 55.545 58.000 0.018 0.000 1.171 288 F CB 1.497 40.501 39.000 0.006 0.000 1.405 288 F HN -0.177 nan 8.300 nan 0.000 0.482 289 P HA 0.059 nan 4.420 nan 0.000 0.246 289 P C -0.241 177.129 177.300 0.117 0.000 1.675 289 P CA 0.585 63.732 63.100 0.078 0.000 0.908 289 P CB -0.360 31.345 31.700 0.009 0.000 1.890 290 I N -0.400 120.284 120.570 0.190 0.000 2.325 290 I HA 0.048 4.247 4.170 0.048 0.000 0.291 290 I C 1.888 178.101 176.117 0.161 0.000 1.019 290 I CA -0.400 61.046 61.300 0.242 0.000 1.302 290 I CB 1.644 39.819 38.000 0.291 0.000 1.401 290 I HN -0.067 nan 8.210 nan 0.000 0.485 291 V N 6.114 126.110 119.914 0.135 0.000 2.282 291 V HA -0.254 3.894 4.120 0.048 0.000 0.249 291 V C 1.211 177.352 176.094 0.079 0.000 1.057 291 V CA 2.022 64.376 62.300 0.090 0.000 1.032 291 V CB -0.301 31.565 31.823 0.071 0.000 0.645 291 V HN 0.953 nan 8.190 nan 0.000 0.447 292 N N 0.035 118.778 118.700 0.071 0.000 2.470 292 N HA 0.342 5.111 4.740 0.048 0.000 0.268 292 N C 0.169 175.730 175.510 0.084 0.000 1.136 292 N CA 0.753 53.839 53.050 0.061 0.000 0.961 292 N CB 1.337 39.844 38.487 0.034 0.000 1.067 292 N HN 0.379 nan 8.380 nan 0.000 0.468 293 A N 3.475 126.343 122.820 0.081 0.000 2.390 293 A HA 0.165 4.514 4.320 0.048 0.000 0.232 293 A C 0.847 178.485 177.584 0.090 0.000 1.233 293 A CA -0.053 52.039 52.037 0.091 0.000 0.907 293 A CB 0.071 19.118 19.000 0.079 0.000 0.967 293 A HN 0.688 nan 8.150 nan 0.000 0.512 294 E N -0.322 119.928 120.200 0.084 0.000 2.419 294 E HA 0.117 4.496 4.350 0.048 0.000 0.190 294 E C -0.622 176.042 176.600 0.106 0.000 1.040 294 E CA -0.136 56.316 56.400 0.085 0.000 0.900 294 E CB 0.265 30.007 29.700 0.069 0.000 1.054 294 E HN 0.439 nan 8.360 nan 0.000 0.462 295 L N 1.794 123.094 121.223 0.128 0.000 2.305 295 L HA 0.174 4.543 4.340 0.048 0.000 0.281 295 L C -0.059 176.963 176.870 0.254 0.000 1.085 295 L CA -0.295 54.644 54.840 0.166 0.000 0.813 295 L CB 1.183 43.327 42.059 0.142 0.000 1.157 295 L HN -0.143 nan 8.230 nan 0.000 0.436 296 S N 3.969 119.847 115.700 0.298 0.000 2.532 296 S HA 0.831 5.330 4.470 0.048 0.000 0.301 296 S C -0.567 174.319 174.600 0.477 0.000 1.083 296 S CA -0.722 57.690 58.200 0.353 0.000 1.025 296 S CB 1.412 64.753 63.200 0.234 0.000 1.056 296 S HN 0.479 nan 8.310 nan 0.000 0.494 297 F N -0.388 119.615 119.950 0.088 0.000 2.598 297 F HA 0.845 5.399 4.527 0.046 0.000 0.327 297 F C -0.877 174.701 175.800 -0.370 0.000 1.057 297 F CA -2.398 55.597 58.000 -0.009 0.000 0.957 297 F CB 0.430 39.446 39.000 0.026 0.000 1.278 297 F HN 0.563 nan 8.300 nan 0.000 0.484 298 F N 1.210 120.725 119.950 -0.724 0.000 2.385 298 F HA 0.807 5.365 4.527 0.051 0.000 0.336 298 F C 0.065 175.327 175.800 -0.898 0.000 1.100 298 F CA -0.938 56.310 58.000 -1.252 0.000 1.116 298 F CB 1.150 39.125 39.000 -1.708 0.000 1.166 298 F HN 0.812 nan 8.300 nan 0.000 0.511 299 G N 3.410 111.054 108.800 -1.926 0.000 2.735 299 G HA2 0.277 4.266 3.960 0.048 0.000 0.301 299 G HA3 0.277 4.266 3.960 0.048 0.000 0.301 299 G C -0.759 173.007 174.900 -1.890 0.000 1.279 299 G CA -0.246 43.702 45.100 -1.920 0.000 1.019 299 G HN 0.760 nan 8.290 nan 0.000 0.497 300 H N -0.556 117.751 119.070 -1.272 0.000 2.570 300 H HA 0.382 4.971 4.556 0.054 0.000 0.268 300 H C 1.898 177.074 175.328 -0.253 0.000 1.175 300 H CA 1.792 57.435 56.048 -0.675 0.000 1.686 300 H CB 0.636 30.131 29.762 -0.445 0.000 1.456 300 H HN 1.152 nan 8.280 nan 0.000 0.592 301 A N 0.225 123.150 122.820 0.174 0.000 3.526 301 A HA -0.229 4.120 4.320 0.048 0.000 0.254 301 A C 0.604 178.341 177.584 0.255 0.000 1.109 301 A CA 1.177 53.328 52.037 0.189 0.000 1.395 301 A CB -2.970 16.114 19.000 0.141 0.000 1.057 301 A HN 0.771 nan 8.150 nan 0.000 0.901 302 H N -0.264 118.955 119.070 0.249 0.000 2.723 302 H HA 0.465 5.054 4.556 0.055 0.000 0.294 302 H C 0.148 175.396 175.328 -0.133 0.000 1.079 302 H CA -0.447 55.606 56.048 0.008 0.000 1.411 302 H CB 0.560 30.312 29.762 -0.016 0.000 1.439 302 H HN 0.452 nan 8.280 nan 0.000 0.474 303 L N 6.756 127.926 121.223 -0.088 0.000 2.650 303 L HA 0.244 4.613 4.340 0.048 0.000 0.239 303 L C 0.232 176.888 176.870 -0.356 0.000 1.412 303 L CA 0.769 55.494 54.840 -0.192 0.000 1.219 303 L CB -0.815 41.218 42.059 -0.044 0.000 1.534 303 L HN 0.890 nan 8.230 nan 0.000 0.430 304 G N -0.834 107.536 108.800 -0.716 0.000 2.450 304 G HA2 0.362 4.351 3.960 0.048 0.000 0.273 304 G HA3 0.362 4.351 3.960 0.048 0.000 0.273 304 G C -1.172 173.498 174.900 -0.383 0.000 1.221 304 G CA 0.005 44.800 45.100 -0.509 0.000 0.900 304 G HN 0.099 nan 8.290 nan 0.000 0.483 305 T N -0.816 113.680 114.554 -0.097 0.000 2.928 305 T HA 0.704 5.083 4.350 0.048 0.000 0.296 305 T C 0.283 175.018 174.700 0.059 0.000 1.000 305 T CA 1.457 63.600 62.100 0.073 0.000 0.989 305 T CB 0.596 69.609 68.868 0.242 0.000 1.005 305 T HN 2.624 nan 8.240 nan 0.000 0.442 306 G N 3.850 112.730 108.800 0.134 0.000 2.760 306 G HA2 -0.110 3.879 3.960 0.048 0.000 0.246 306 G HA3 -0.110 3.879 3.960 0.048 0.000 0.246 306 G C -0.476 174.447 174.900 0.038 0.000 1.359 306 G CA -0.249 44.892 45.100 0.069 0.000 0.861 306 G HN 0.961 nan 8.290 nan 0.000 0.541 307 D N 1.194 121.575 120.400 -0.030 0.000 2.581 307 D HA 0.090 4.759 4.640 0.048 0.000 0.238 307 D C -0.471 175.633 176.300 -0.325 0.000 1.145 307 D CA -0.164 53.779 54.000 -0.095 0.000 0.866 307 D CB 0.931 41.740 40.800 0.016 0.000 1.151 307 D HN 0.202 nan 8.370 nan 0.000 0.500 308 P HA -0.050 nan 4.420 nan 0.000 0.258 308 P C -0.249 176.478 177.300 -0.955 0.000 1.319 308 P CA 0.510 62.953 63.100 -1.094 0.000 0.785 308 P CB -0.421 30.223 31.700 -1.760 0.000 1.252 309 Y N -1.675 118.573 120.300 -0.087 0.000 2.610 309 Y HA 0.179 4.760 4.550 0.052 0.000 0.254 309 Y C 1.409 177.349 175.900 0.066 0.000 1.110 309 Y CA -0.165 57.944 58.100 0.014 0.000 1.238 309 Y CB 0.457 38.938 38.460 0.035 0.000 1.322 309 Y HN -0.041 nan 8.280 nan 0.000 0.547 310 T N 0.541 115.029 114.554 -0.111 0.000 3.516 310 T HA 0.275 4.654 4.350 0.048 0.000 0.245 310 T C -3.019 171.182 174.700 -0.833 0.000 1.077 310 T CA -2.274 59.437 62.100 -0.648 0.000 1.222 310 T CB 0.083 68.715 68.868 -0.394 0.000 1.045 310 T HN -0.151 nan 8.240 nan 0.000 0.585 311 P HA 0.298 nan 4.420 nan 0.000 0.267 311 P C 1.148 178.297 177.300 -0.252 0.000 1.328 311 P CA 0.989 63.883 63.100 -0.343 0.000 0.990 311 P CB 0.117 31.738 31.700 -0.132 0.000 1.168 312 G N 3.736 112.368 108.800 -0.280 0.000 2.317 312 G HA2 -0.248 3.741 3.960 0.048 0.000 0.227 312 G HA3 -0.248 3.741 3.960 0.048 0.000 0.227 312 G C -0.184 174.773 174.900 0.095 0.000 1.042 312 G CA 0.071 45.183 45.100 0.020 0.000 0.623 312 G HN 0.571 nan 8.290 nan 0.000 0.509 313 F N 0.569 120.505 119.950 -0.024 0.000 2.508 313 F HA 0.866 5.422 4.527 0.049 0.000 0.325 313 F C -2.634 173.098 175.800 -0.113 0.000 1.090 313 F CA -3.442 54.522 58.000 -0.061 0.000 0.945 313 F CB 1.138 40.100 39.000 -0.063 0.000 1.156 313 F HN -0.049 nan 8.300 nan 0.000 0.463 314 P HA 0.122 nan 4.420 nan 0.000 0.270 314 P C -0.503 176.599 177.300 -0.330 0.000 1.227 314 P CA -0.116 62.868 63.100 -0.194 0.000 0.788 314 P CB 0.762 32.384 31.700 -0.129 0.000 0.926 315 S N 0.289 115.845 115.700 -0.241 0.000 2.707 315 S HA 0.620 5.118 4.470 0.048 0.000 0.276 315 S C -0.251 174.147 174.600 -0.335 0.000 1.179 315 S CA -0.098 58.029 58.200 -0.122 0.000 0.992 315 S CB 0.249 63.531 63.200 0.136 0.000 1.030 315 S HN 0.278 nan 8.310 nan 0.000 0.554 316 F N -0.172 119.922 119.950 0.240 0.000 3.180 316 F HA 0.484 5.040 4.527 0.048 0.000 0.181 316 F C 1.014 176.909 175.800 0.158 0.000 1.611 316 F CA -1.150 56.959 58.000 0.182 0.000 0.961 316 F CB -0.230 38.850 39.000 0.133 0.000 1.911 316 F HN 0.503 nan 8.300 nan 0.000 0.253 317 N N -1.073 117.825 118.700 0.331 0.000 2.495 317 N HA 0.074 4.843 4.740 0.048 0.000 0.294 317 N C 0.480 176.121 175.510 0.219 0.000 1.276 317 N CA -0.398 52.721 53.050 0.115 0.000 0.973 317 N CB 0.669 39.167 38.487 0.018 0.000 1.143 317 N HN 0.452 nan 8.380 nan 0.000 0.589 318 H N -0.044 119.066 119.070 0.065 0.000 2.476 318 H HA -0.009 4.576 4.556 0.049 0.000 0.292 318 H C 1.687 177.029 175.328 0.024 0.000 1.019 318 H CA 1.729 57.813 56.048 0.059 0.000 1.330 318 H CB -0.246 29.536 29.762 0.034 0.000 1.451 318 H HN 0.708 nan 8.280 nan 0.000 0.535 319 T N -1.284 113.425 114.554 0.259 0.000 2.778 319 T HA -0.180 4.199 4.350 0.048 0.000 0.269 319 T C 1.135 175.887 174.700 0.088 0.000 1.050 319 T CA 1.074 63.266 62.100 0.154 0.000 1.137 319 T CB -0.056 68.844 68.868 0.054 0.000 0.860 319 T HN 0.377 nan 8.240 nan 0.000 0.468 320 Q N -0.547 119.297 119.800 0.074 0.000 2.312 320 Q HA 0.443 4.812 4.340 0.048 0.000 0.263 320 Q C -1.224 174.835 176.000 0.099 0.000 0.995 320 Q CA -1.147 54.671 55.803 0.025 0.000 0.853 320 Q CB 0.640 29.352 28.738 -0.044 0.000 1.300 320 Q HN 0.308 nan 8.270 nan 0.000 0.448 321 F N 4.855 124.720 119.950 -0.142 0.000 2.572 321 F HA -0.136 4.419 4.527 0.046 0.000 0.282 321 F C -2.267 173.492 175.800 -0.070 0.000 1.047 321 F CA 0.475 58.422 58.000 -0.088 0.000 1.022 321 F CB 0.171 39.135 39.000 -0.060 0.000 1.226 321 F HN 0.543 nan 8.300 nan 0.000 0.827 322 P HA 0.312 nan 4.420 nan 0.000 0.279 322 P C -2.231 174.757 177.300 -0.520 0.000 1.819 322 P CA -0.875 61.917 63.100 -0.513 0.000 1.258 322 P CB 0.361 31.703 31.700 -0.596 0.000 1.656 323 P HA -0.015 nan 4.420 nan 0.000 0.267 323 P C 1.443 178.476 177.300 -0.445 0.000 1.195 323 P CA 0.510 63.365 63.100 -0.409 0.000 0.773 323 P CB 0.569 32.048 31.700 -0.368 0.000 0.837 324 S N 1.138 116.674 115.700 -0.273 0.000 2.325 324 S HA -0.028 4.471 4.470 0.048 0.000 0.213 324 S C 0.931 175.429 174.600 -0.170 0.000 1.031 324 S CA 1.028 59.091 58.200 -0.229 0.000 0.984 324 S CB -0.113 63.039 63.200 -0.081 0.000 0.939 324 S HN 0.666 nan 8.310 nan 0.000 0.438 325 R N -1.750 118.813 120.500 0.106 0.000 4.217 325 R HA 0.246 4.615 4.340 0.048 0.000 0.251 325 R C 0.188 176.621 176.300 0.221 0.000 0.929 325 R CA 0.502 56.859 56.100 0.428 0.000 0.710 325 R CB -0.774 29.776 30.300 0.417 0.000 1.905 325 R HN 0.385 nan 8.270 nan 0.000 0.380 326 S N -0.857 114.943 115.700 0.166 0.000 2.981 326 S HA -0.144 4.355 4.470 0.048 0.000 0.274 326 S C 0.011 174.658 174.600 0.079 0.000 1.297 326 S CA 1.427 59.688 58.200 0.101 0.000 1.266 326 S CB -1.279 61.972 63.200 0.085 0.000 1.542 326 S HN 0.593 nan 8.310 nan 0.000 0.674 327 S N 1.165 116.912 115.700 0.078 0.000 3.811 327 S HA 0.464 4.963 4.470 0.048 0.000 0.205 327 S C 1.192 175.803 174.600 0.020 0.000 1.445 327 S CA 0.423 58.657 58.200 0.056 0.000 1.097 327 S CB 0.035 63.284 63.200 0.081 0.000 1.350 327 S HN 1.436 nan 8.310 nan 0.000 0.471 328 G N 0.706 109.534 108.800 0.048 0.000 2.135 328 G HA2 -0.179 3.810 3.960 0.048 0.000 0.183 328 G HA3 -0.179 3.810 3.960 0.048 0.000 0.183 328 G C -0.415 174.549 174.900 0.106 0.000 1.004 328 G CA -0.700 44.449 45.100 0.082 0.000 0.677 328 G HN 0.469 nan 8.290 nan 0.000 0.512 329 L N -0.588 120.670 121.223 0.059 0.000 2.334 329 L HA 0.627 4.996 4.340 0.048 0.000 0.276 329 L C -0.380 176.545 176.870 0.092 0.000 1.014 329 L CA -2.009 52.872 54.840 0.069 0.000 0.815 329 L CB 1.334 43.414 42.059 0.036 0.000 1.268 329 L HN -0.107 nan 8.230 nan 0.000 0.428 330 P HA -0.334 nan 4.420 nan 0.000 0.217 330 P C 0.510 177.858 177.300 0.080 0.000 0.937 330 P CA 2.193 65.349 63.100 0.093 0.000 1.028 330 P CB -0.009 31.757 31.700 0.109 0.000 0.735 331 N N -4.934 113.817 118.700 0.085 0.000 2.967 331 N HA -0.125 4.644 4.740 0.048 0.000 0.241 331 N C -1.192 174.356 175.510 0.064 0.000 0.983 331 N CA 0.593 53.687 53.050 0.072 0.000 0.918 331 N CB -1.273 37.252 38.487 0.063 0.000 1.109 331 N HN 0.034 nan 8.380 nan 0.000 0.567 332 I N 0.764 121.375 120.570 0.068 0.000 2.610 332 I HA 0.372 4.571 4.170 0.048 0.000 0.289 332 I C -2.341 173.816 176.117 0.067 0.000 1.163 332 I CA -1.893 59.444 61.300 0.062 0.000 1.044 332 I CB 1.821 39.855 38.000 0.057 0.000 1.251 332 I HN -0.100 nan 8.210 nan 0.000 0.424 333 P HA 0.098 nan 4.420 nan 0.000 0.264 333 P C -0.674 176.662 177.300 0.060 0.000 1.193 333 P CA 0.150 63.287 63.100 0.061 0.000 0.763 333 P CB 1.108 32.840 31.700 0.052 0.000 0.810 334 V N 4.211 124.162 119.914 0.061 0.000 2.531 334 V HA 0.384 4.533 4.120 0.048 0.000 0.301 334 V C -0.075 176.039 176.094 0.033 0.000 1.034 334 V CA -0.388 61.946 62.300 0.057 0.000 0.865 334 V CB 1.611 33.475 31.823 0.069 0.000 0.995 334 V HN 0.489 nan 8.190 nan 0.000 0.424 335 Q N 2.337 122.152 119.800 0.025 0.000 2.323 335 Q HA 0.501 4.870 4.340 0.048 0.000 0.271 335 Q C -0.510 175.458 176.000 -0.052 0.000 1.048 335 Q CA -0.182 55.614 55.803 -0.012 0.000 0.792 335 Q CB 2.184 30.926 28.738 0.005 0.000 1.280 335 Q HN 0.789 nan 8.270 nan 0.000 0.441 336 T N 3.461 117.911 114.554 -0.174 0.000 2.884 336 T HA 0.600 4.979 4.350 0.048 0.000 0.298 336 T C -0.615 173.945 174.700 -0.232 0.000 0.998 336 T CA -0.087 61.790 62.100 -0.371 0.000 1.124 336 T CB 0.048 68.391 68.868 -0.875 0.000 0.931 336 T HN 0.486 nan 8.240 nan 0.000 0.531 337 I N 3.270 123.777 120.570 -0.105 0.000 2.608 337 I HA 0.376 4.575 4.170 0.048 0.000 0.295 337 I C 0.151 176.368 176.117 0.167 0.000 1.049 337 I CA -0.308 61.010 61.300 0.029 0.000 1.063 337 I CB 2.156 40.185 38.000 0.050 0.000 1.248 337 I HN 0.613 nan 8.210 nan 0.000 0.424 338 S N 4.675 120.449 115.700 0.124 0.000 2.576 338 S HA 0.211 4.710 4.470 0.048 0.000 0.276 338 S C 1.530 176.196 174.600 0.110 0.000 1.339 338 S CA -0.077 58.226 58.200 0.172 0.000 1.039 338 S CB 0.522 63.793 63.200 0.119 0.000 0.902 338 S HN 0.680 nan 8.310 nan 0.000 0.516 339 R N 3.313 123.894 120.500 0.136 0.000 2.119 339 R HA -0.196 4.173 4.340 0.048 0.000 0.246 339 R C 2.251 178.531 176.300 -0.034 0.000 1.146 339 R CA 2.069 58.199 56.100 0.050 0.000 0.962 339 R CB -0.949 29.417 30.300 0.110 0.000 0.863 339 R HN 0.812 nan 8.270 nan 0.000 0.442 340 A N 0.598 123.429 122.820 0.018 0.000 1.873 340 A HA -0.219 4.130 4.320 0.048 0.000 0.218 340 A C 2.421 179.983 177.584 -0.035 0.000 1.193 340 A CA 2.143 54.188 52.037 0.013 0.000 0.629 340 A CB -1.123 17.906 19.000 0.049 0.000 0.826 340 A HN 0.597 nan 8.150 nan 0.000 0.447 341 A N -0.403 122.388 122.820 -0.048 0.000 1.908 341 A HA 0.129 4.478 4.320 0.048 0.000 0.218 341 A C 2.530 179.975 177.584 -0.231 0.000 1.181 341 A CA 2.312 54.291 52.037 -0.097 0.000 0.627 341 A CB -1.089 17.869 19.000 -0.070 0.000 0.818 341 A HN 1.180 nan 8.150 nan 0.000 0.445 342 A N -0.170 122.442 122.820 -0.347 0.000 1.883 342 A HA -0.194 4.155 4.320 0.048 0.000 0.217 342 A C 1.914 179.000 177.584 -0.830 0.000 1.186 342 A CA 1.771 53.334 52.037 -0.790 0.000 0.624 342 A CB -0.538 17.808 19.000 -1.090 0.000 0.822 342 A HN 0.514 nan 8.150 nan 0.000 0.444 343 E N 0.289 120.273 120.200 -0.361 0.000 2.048 343 E HA -0.273 4.106 4.350 0.048 0.000 0.202 343 E C 1.950 178.496 176.600 -0.089 0.000 1.021 343 E CA 1.945 58.286 56.400 -0.098 0.000 0.825 343 E CB -0.489 29.203 29.700 -0.013 0.000 0.756 343 E HN 0.669 nan 8.360 nan 0.000 0.454 344 K N 0.393 120.741 120.400 -0.088 0.000 2.044 344 K HA -0.129 4.219 4.320 0.048 0.000 0.210 344 K C 2.249 178.806 176.600 -0.072 0.000 1.049 344 K CA 0.876 57.147 56.287 -0.027 0.000 0.927 344 K CB -0.203 32.313 32.500 0.026 0.000 0.713 344 K HN 0.017 nan 8.250 nan 0.000 0.443 345 L N 0.130 121.224 121.223 -0.215 0.000 1.971 345 L HA -0.194 4.175 4.340 0.048 0.000 0.215 345 L C 2.240 179.061 176.870 -0.082 0.000 1.072 345 L CA 1.914 56.627 54.840 -0.212 0.000 0.758 345 L CB -1.147 40.678 42.059 -0.390 0.000 0.889 345 L HN 0.240 nan 8.230 nan 0.000 0.433 346 F N -0.085 119.820 119.950 -0.075 0.000 2.202 346 F HA -0.202 4.353 4.527 0.047 0.000 0.301 346 F C 2.484 178.266 175.800 -0.030 0.000 1.082 346 F CA 0.524 58.483 58.000 -0.067 0.000 1.313 346 F CB -0.752 38.183 39.000 -0.108 0.000 1.024 346 F HN 0.226 nan 8.300 nan 0.000 0.495 347 G N -0.040 108.847 108.800 0.145 0.000 2.450 347 G HA2 -0.266 3.723 3.960 0.048 0.000 0.220 347 G HA3 -0.266 3.723 3.960 0.048 0.000 0.220 347 G C 0.812 175.757 174.900 0.075 0.000 1.130 347 G CA 0.712 45.867 45.100 0.092 0.000 0.760 347 G HN 0.418 nan 8.290 nan 0.000 0.557 348 N N 0.268 119.011 118.700 0.071 0.000 2.546 348 N HA 0.368 5.137 4.740 0.048 0.000 0.286 348 N C -0.713 174.842 175.510 0.075 0.000 1.259 348 N CA -0.120 52.966 53.050 0.060 0.000 0.939 348 N CB 0.354 38.867 38.487 0.044 0.000 1.243 348 N HN 0.244 nan 8.380 nan 0.000 0.511 349 M N -0.205 119.451 119.600 0.094 0.000 2.386 349 M HA 0.188 4.697 4.480 0.048 0.000 0.293 349 M C 0.780 177.125 176.300 0.075 0.000 1.120 349 M CA -0.479 54.883 55.300 0.102 0.000 0.909 349 M CB 3.064 35.760 32.600 0.161 0.000 1.661 349 M HN 0.006 nan 8.290 nan 0.000 0.452 350 E N 2.215 122.453 120.200 0.064 0.000 2.033 350 E HA 0.073 4.452 4.350 0.048 0.000 0.189 350 E C 1.009 177.630 176.600 0.035 0.000 0.979 350 E CA 0.671 57.098 56.400 0.045 0.000 0.802 350 E CB 0.168 29.894 29.700 0.043 0.000 0.763 350 E HN 0.917 nan 8.360 nan 0.000 0.449 351 G N 0.593 109.422 108.800 0.049 0.000 2.760 351 G HA2 -0.083 3.906 3.960 0.048 0.000 0.236 351 G HA3 -0.083 3.906 3.960 0.048 0.000 0.236 351 G C -0.658 174.242 174.900 -0.000 0.000 1.243 351 G CA 0.138 45.259 45.100 0.034 0.000 0.850 351 G HN 0.290 nan 8.290 nan 0.000 0.595 352 D N -1.415 118.965 120.400 -0.034 0.000 2.629 352 D HA 0.287 4.956 4.640 0.048 0.000 0.250 352 D C -0.230 176.000 176.300 -0.116 0.000 1.126 352 D CA -0.566 53.389 54.000 -0.074 0.000 0.852 352 D CB 1.257 42.010 40.800 -0.078 0.000 1.335 352 D HN 0.398 nan 8.370 nan 0.000 0.518 353 c N 5.100 123.623 118.600 -0.129 0.000 2.590 353 c HA 0.237 4.836 4.570 0.048 0.000 0.411 353 c C -1.751 172.176 174.090 -0.272 0.000 1.420 353 c CA -0.739 55.492 56.329 -0.162 0.000 1.643 353 c CB -0.597 41.853 42.510 -0.101 0.000 2.528 353 c HN 0.556 nan 8.230 nan 0.000 0.606 354 P HA 0.119 nan 4.420 nan 0.000 0.272 354 P C 0.363 177.430 177.300 -0.388 0.000 1.240 354 P CA 0.053 62.810 63.100 -0.571 0.000 0.791 354 P CB 0.580 31.666 31.700 -1.024 0.000 0.978 355 S N -0.422 115.115 115.700 -0.272 0.000 2.503 355 S HA -0.088 4.411 4.470 0.048 0.000 0.217 355 S C 1.516 176.059 174.600 -0.096 0.000 0.999 355 S CA 0.449 58.566 58.200 -0.139 0.000 0.914 355 S CB -0.723 62.413 63.200 -0.105 0.000 0.782 355 S HN 0.437 nan 8.310 nan 0.000 0.520 356 D N 0.798 121.089 120.400 -0.181 0.000 2.116 356 D HA -0.132 4.537 4.640 0.048 0.000 0.193 356 D C -0.049 176.369 176.300 0.196 0.000 0.998 356 D CA 0.681 54.652 54.000 -0.048 0.000 0.836 356 D CB -0.139 40.548 40.800 -0.189 0.000 0.951 356 D HN 0.569 nan 8.370 nan 0.000 0.449 357 W N 1.768 122.942 121.300 -0.211 0.000 2.591 357 W HA 0.060 4.751 4.660 0.052 0.000 0.330 357 W C 0.630 177.040 176.519 -0.182 0.000 1.435 357 W CA -1.053 56.131 57.345 -0.267 0.000 1.350 357 W CB 0.162 29.456 29.460 -0.277 0.000 1.434 357 W HN -0.177 nan 8.180 nan 0.000 0.553 358 K N 3.308 123.751 120.400 0.071 0.000 2.360 358 K HA 0.052 4.401 4.320 0.048 0.000 0.225 358 K C 0.358 176.963 176.600 0.008 0.000 1.246 358 K CA 0.274 56.585 56.287 0.040 0.000 1.198 358 K CB -0.231 32.301 32.500 0.054 0.000 1.348 358 K HN 0.322 nan 8.250 nan 0.000 0.232 359 T N -0.865 113.707 114.554 0.030 0.000 2.572 359 T HA 0.332 4.711 4.350 0.048 0.000 0.244 359 T C -0.903 173.818 174.700 0.035 0.000 0.860 359 T CA -0.748 61.369 62.100 0.028 0.000 1.125 359 T CB 1.101 70.003 68.868 0.056 0.000 1.491 359 T HN 0.157 nan 8.240 nan 0.000 0.532 360 D N 0.003 120.428 120.400 0.041 0.000 2.661 360 D HA 0.471 5.140 4.640 0.048 0.000 0.228 360 D C -0.264 176.042 176.300 0.010 0.000 1.210 360 D CA -0.265 53.749 54.000 0.024 0.000 0.826 360 D CB 1.820 42.639 40.800 0.032 0.000 1.542 360 D HN 0.623 nan 8.370 nan 0.000 0.447 361 S N 0.676 116.370 115.700 -0.010 0.000 2.545 361 S HA 0.045 4.544 4.470 0.048 0.000 0.268 361 S C 0.643 175.220 174.600 -0.038 0.000 1.369 361 S CA 1.195 59.376 58.200 -0.032 0.000 1.001 361 S CB 0.205 63.392 63.200 -0.023 0.000 0.838 361 S HN 0.772 nan 8.310 nan 0.000 0.520 362 T N -1.874 112.640 114.554 -0.068 0.000 8.460 362 T HA -0.208 4.171 4.350 0.048 0.000 0.312 362 T C 0.614 175.180 174.700 -0.223 0.000 2.053 362 T CA 0.661 62.722 62.100 -0.066 0.000 3.457 362 T CB -2.465 66.411 68.868 0.013 0.000 1.500 362 T HN 1.700 nan 8.240 nan 0.000 0.559 363 c N 4.436 122.740 118.600 -0.494 0.000 2.520 363 c HA 0.908 5.507 4.570 0.048 0.000 0.376 363 c C 1.029 174.748 174.090 -0.619 0.000 1.268 363 c CA -1.057 54.532 56.329 -1.234 0.000 2.414 363 c CB 0.614 42.132 42.510 -1.654 0.000 2.521 363 c HN 0.507 nan 8.230 nan 0.000 0.618 364 R N 1.297 121.455 120.500 -0.571 0.000 3.067 364 R HA 0.559 4.928 4.340 0.048 0.000 0.222 364 R C 0.212 176.525 176.300 0.022 0.000 1.551 364 R CA -0.822 55.201 56.100 -0.128 0.000 1.034 364 R CB 0.210 30.530 30.300 0.033 0.000 1.889 364 R HN 0.702 nan 8.270 nan 0.000 0.526 365 M N -0.713 118.955 119.600 0.114 0.000 2.532 365 M HA 0.253 4.762 4.480 0.048 0.000 0.244 365 M C -0.511 175.921 176.300 0.220 0.000 1.390 365 M CA 0.571 55.994 55.300 0.205 0.000 1.132 365 M CB 1.019 33.695 32.600 0.127 0.000 1.466 365 M HN 0.187 nan 8.290 nan 0.000 0.550 366 V N 0.030 120.042 119.914 0.164 0.000 2.971 366 V HA 0.459 4.608 4.120 0.048 0.000 0.309 366 V C -0.211 175.959 176.094 0.127 0.000 1.130 366 V CA -1.238 61.152 62.300 0.149 0.000 0.964 366 V CB 1.784 33.679 31.823 0.120 0.000 1.029 366 V HN 0.418 nan 8.190 nan 0.000 0.427 367 T N 0.482 115.106 114.554 0.118 0.000 2.903 367 T HA 0.242 4.621 4.350 0.048 0.000 0.314 367 T C 0.440 175.186 174.700 0.075 0.000 1.078 367 T CA -0.089 62.069 62.100 0.095 0.000 1.114 367 T CB 0.607 69.521 68.868 0.078 0.000 0.987 367 T HN 1.057 nan 8.240 nan 0.000 0.548 368 S N 1.674 117.413 115.700 0.064 0.000 2.498 368 S HA 0.069 4.568 4.470 0.048 0.000 0.281 368 S C 1.221 175.849 174.600 0.046 0.000 1.265 368 S CA -0.706 57.525 58.200 0.052 0.000 1.071 368 S CB 0.835 64.062 63.200 0.045 0.000 0.894 368 S HN 0.832 nan 8.310 nan 0.000 0.491 369 E N 3.668 123.895 120.200 0.044 0.000 2.172 369 E HA -0.341 4.038 4.350 0.048 0.000 0.213 369 E C 2.044 178.665 176.600 0.034 0.000 1.051 369 E CA 2.322 58.745 56.400 0.039 0.000 0.860 369 E CB -0.808 28.913 29.700 0.036 0.000 0.755 369 E HN 0.967 nan 8.360 nan 0.000 0.462 370 S N 0.241 115.960 115.700 0.031 0.000 2.421 370 S HA -0.263 4.236 4.470 0.048 0.000 0.239 370 S C 0.683 175.300 174.600 0.027 0.000 1.054 370 S CA 1.828 60.044 58.200 0.028 0.000 1.035 370 S CB -0.377 62.839 63.200 0.027 0.000 0.840 370 S HN 0.324 nan 8.310 nan 0.000 0.475 371 K N 0.080 120.498 120.400 0.031 0.000 2.607 371 K HA 0.627 4.976 4.320 0.048 0.000 0.287 371 K C -1.184 175.435 176.600 0.033 0.000 0.996 371 K CA -0.676 55.629 56.287 0.029 0.000 0.876 371 K CB 0.322 32.838 32.500 0.027 0.000 1.496 371 K HN 0.352 nan 8.250 nan 0.000 0.415 372 N N -1.108 117.610 118.700 0.029 0.000 3.002 372 N HA 0.727 5.496 4.740 0.048 0.000 0.331 372 N C -1.356 174.169 175.510 0.025 0.000 1.384 372 N CA -0.985 52.084 53.050 0.031 0.000 0.780 372 N CB 1.349 39.855 38.487 0.032 0.000 1.492 372 N HN 0.454 nan 8.380 nan 0.000 0.608 373 V N -1.470 118.460 119.914 0.025 0.000 2.823 373 V HA 0.574 4.723 4.120 0.048 0.000 0.312 373 V C -1.242 174.862 176.094 0.017 0.000 1.072 373 V CA -0.848 61.461 62.300 0.016 0.000 0.937 373 V CB 1.675 33.506 31.823 0.013 0.000 1.013 373 V HN 0.807 nan 8.190 nan 0.000 0.430 374 K N 4.712 125.117 120.400 0.009 0.000 2.323 374 K HA 0.622 4.971 4.320 0.048 0.000 0.259 374 K C -1.667 174.938 176.600 0.008 0.000 0.947 374 K CA -0.731 55.562 56.287 0.010 0.000 0.819 374 K CB 1.692 34.197 32.500 0.008 0.000 1.109 374 K HN 0.613 nan 8.250 nan 0.000 0.429 375 L N 3.528 124.760 121.223 0.015 0.000 2.296 375 L HA 0.462 4.831 4.340 0.048 0.000 0.286 375 L C -0.916 175.964 176.870 0.018 0.000 1.023 375 L CA 0.305 55.155 54.840 0.016 0.000 0.812 375 L CB 1.773 43.847 42.059 0.025 0.000 1.223 375 L HN 0.654 nan 8.230 nan 0.000 0.421 376 T N 5.643 120.205 114.554 0.014 0.000 2.930 376 T HA 0.584 4.963 4.350 0.048 0.000 0.313 376 T C -1.247 173.464 174.700 0.019 0.000 1.019 376 T CA -0.410 61.699 62.100 0.016 0.000 1.004 376 T CB 0.257 69.130 68.868 0.009 0.000 0.987 376 T HN 0.606 nan 8.240 nan 0.000 0.456 377 V N 3.335 123.266 119.914 0.028 0.000 2.378 377 V HA 0.861 5.010 4.120 0.048 0.000 0.288 377 V C 0.001 176.116 176.094 0.035 0.000 1.016 377 V CA -0.837 61.485 62.300 0.036 0.000 0.840 377 V CB 1.274 33.129 31.823 0.052 0.000 0.994 377 V HN 0.880 nan 8.190 nan 0.000 0.431 378 S N 3.867 119.582 115.700 0.024 0.000 2.516 378 S HA 0.586 5.085 4.470 0.048 0.000 0.268 378 S C -0.511 174.094 174.600 0.008 0.000 1.251 378 S CA -0.703 57.507 58.200 0.017 0.000 1.153 378 S CB 0.068 63.272 63.200 0.006 0.000 1.009 378 S HN 0.787 nan 8.310 nan 0.000 0.479 379 N N 1.456 120.172 118.700 0.026 0.000 2.362 379 N HA 0.700 5.469 4.740 0.048 0.000 0.299 379 N C -0.733 174.793 175.510 0.026 0.000 1.170 379 N CA -0.554 52.506 53.050 0.017 0.000 0.825 379 N CB 2.188 40.723 38.487 0.080 0.000 1.299 379 N HN 0.633 nan 8.380 nan 0.000 0.502 380 V N -1.401 118.520 119.914 0.012 0.000 2.876 380 V HA 0.592 4.741 4.120 0.048 0.000 0.312 380 V C -0.082 176.031 176.094 0.032 0.000 1.085 380 V CA -1.038 61.275 62.300 0.022 0.000 0.945 380 V CB 1.543 33.369 31.823 0.004 0.000 1.017 380 V HN 0.423 nan 8.190 nan 0.000 0.428 381 L N 2.560 123.811 121.223 0.046 0.000 2.436 381 L HA 0.550 4.919 4.340 0.048 0.000 0.265 381 L C 0.266 177.164 176.870 0.046 0.000 1.168 381 L CA -0.111 54.763 54.840 0.057 0.000 0.815 381 L CB 0.935 43.039 42.059 0.075 0.000 1.109 381 L HN 0.868 nan 8.230 nan 0.000 0.462 382 K N 3.018 123.443 120.400 0.043 0.000 2.716 382 K HA 0.152 4.501 4.320 0.048 0.000 0.249 382 K C -0.803 175.830 176.600 0.056 0.000 1.004 382 K CA -0.542 55.768 56.287 0.038 0.000 0.968 382 K CB 1.287 33.794 32.500 0.011 0.000 1.214 382 K HN 0.601 nan 8.250 nan 0.000 0.476 383 E N 6.115 126.380 120.200 0.109 0.000 2.415 383 E HA 0.041 4.419 4.350 0.048 0.000 0.260 383 E C -0.141 176.542 176.600 0.140 0.000 1.016 383 E CA -0.060 56.440 56.400 0.166 0.000 0.924 383 E CB 0.348 30.193 29.700 0.241 0.000 0.961 383 E HN 0.547 nan 8.360 nan 0.000 0.459 384 I N 0.747 121.374 120.570 0.096 0.000 3.170 384 I HA 0.521 4.720 4.170 0.048 0.000 0.312 384 I C -0.660 175.413 176.117 -0.073 0.000 1.085 384 I CA -1.268 60.046 61.300 0.023 0.000 0.999 384 I CB 1.854 39.828 38.000 -0.043 0.000 1.233 384 I HN 0.249 nan 8.210 nan 0.000 0.467 385 K N 3.378 123.660 120.400 -0.197 0.000 2.404 385 K HA 0.545 4.894 4.320 0.048 0.000 0.257 385 K C -0.891 175.568 176.600 -0.235 0.000 1.026 385 K CA -0.575 55.421 56.287 -0.486 0.000 0.951 385 K CB 0.849 32.993 32.500 -0.594 0.000 1.203 385 K HN 0.568 nan 8.250 nan 0.000 0.446 386 I N 3.682 124.168 120.570 -0.141 0.000 2.696 386 I HA 0.079 4.278 4.170 0.048 0.000 0.284 386 I C -0.148 175.984 176.117 0.025 0.000 1.129 386 I CA -0.514 60.786 61.300 0.000 0.000 1.410 386 I CB 0.555 38.615 38.000 0.099 0.000 1.399 386 I HN 0.381 nan 8.210 nan 0.000 0.579 387 L N 6.587 127.839 121.223 0.047 0.000 2.442 387 L HA 0.402 4.771 4.340 0.048 0.000 0.261 387 L C -0.681 176.213 176.870 0.039 0.000 1.000 387 L CA -0.212 54.654 54.840 0.042 0.000 0.882 387 L CB 0.470 42.529 42.059 -0.001 0.000 1.207 387 L HN 0.463 nan 8.230 nan 0.000 0.443 388 N N 5.374 124.133 118.700 0.099 0.000 2.514 388 N HA 0.394 5.163 4.740 0.048 0.000 0.277 388 N C -0.730 174.662 175.510 -0.196 0.000 1.126 388 N CA -0.237 52.783 53.050 -0.049 0.000 0.978 388 N CB 1.892 40.450 38.487 0.118 0.000 1.106 388 N HN 0.347 nan 8.380 nan 0.000 0.461 389 I N 3.281 123.582 120.570 -0.448 0.000 2.382 389 I HA 0.345 4.544 4.170 0.048 0.000 0.286 389 I C 0.149 175.889 176.117 -0.628 0.000 1.002 389 I CA -0.445 60.625 61.300 -0.383 0.000 1.135 389 I CB 0.151 37.984 38.000 -0.279 0.000 1.288 389 I HN 0.289 nan 8.210 nan 0.000 0.448 390 F N 2.907 122.458 119.950 -0.666 0.000 2.476 390 F HA 0.838 5.393 4.527 0.047 0.000 0.358 390 F C 0.955 176.398 175.800 -0.596 0.000 1.091 390 F CA -0.484 56.967 58.000 -0.915 0.000 1.131 390 F CB 1.130 38.942 39.000 -1.979 0.000 1.653 390 F HN 0.479 nan 8.300 nan 0.000 0.518 391 G N 0.233 108.781 108.800 -0.420 0.000 2.026 391 G HA2 0.456 4.445 3.960 0.048 0.000 0.208 391 G HA3 0.456 4.445 3.960 0.048 0.000 0.208 391 G C -1.820 173.108 174.900 0.048 0.000 1.640 391 G CA -0.418 44.587 45.100 -0.158 0.000 0.946 391 G HN 0.852 nan 8.290 nan 0.000 0.709 392 V N 0.318 120.405 119.914 0.288 0.000 3.177 392 V HA 0.918 5.067 4.120 0.048 0.000 0.319 392 V C 0.140 176.390 176.094 0.259 0.000 1.125 392 V CA -1.477 61.016 62.300 0.321 0.000 1.029 392 V CB 2.104 34.219 31.823 0.487 0.000 1.119 392 V HN 0.767 nan 8.190 nan 0.000 0.452 393 I N 1.104 121.805 120.570 0.218 0.000 2.623 393 I HA 0.363 4.562 4.170 0.048 0.000 0.275 393 I C -0.266 175.909 176.117 0.096 0.000 1.108 393 I CA -0.756 60.644 61.300 0.168 0.000 1.120 393 I CB 1.218 39.338 38.000 0.200 0.000 1.249 393 I HN 0.656 nan 8.210 nan 0.000 0.500 394 K N 3.106 123.547 120.400 0.068 0.000 2.578 394 K HA 0.045 4.394 4.320 0.048 0.000 0.279 394 K C 0.670 177.242 176.600 -0.046 0.000 0.983 394 K CA 0.566 56.839 56.287 -0.023 0.000 1.078 394 K CB 0.382 32.845 32.500 -0.062 0.000 0.852 394 K HN 0.646 nan 8.250 nan 0.000 0.490 395 G N 1.576 110.338 108.800 -0.063 0.000 2.563 395 G HA2 0.288 4.277 3.960 0.048 0.000 0.283 395 G HA3 0.288 4.277 3.960 0.048 0.000 0.283 395 G C -0.100 174.849 174.900 0.082 0.000 1.309 395 G CA -0.471 44.678 45.100 0.081 0.000 1.022 395 G HN 0.546 nan 8.290 nan 0.000 0.501 396 F N -1.887 118.021 119.950 -0.071 0.000 2.727 396 F HA 0.248 4.803 4.527 0.048 0.000 0.302 396 F C 1.903 177.679 175.800 -0.040 0.000 1.107 396 F CA -0.006 57.964 58.000 -0.049 0.000 1.277 396 F CB 0.680 39.655 39.000 -0.041 0.000 1.079 396 F HN 0.168 nan 8.300 nan 0.000 0.594 397 V N -1.663 118.330 119.914 0.133 0.000 3.251 397 V HA 0.139 4.288 4.120 0.048 0.000 0.239 397 V C 0.407 176.495 176.094 -0.010 0.000 1.332 397 V CA 0.271 62.605 62.300 0.057 0.000 1.224 397 V CB 0.566 32.424 31.823 0.059 0.000 1.004 397 V HN 0.010 nan 8.190 nan 0.000 0.464 398 E N 0.364 120.549 120.200 -0.025 0.000 3.582 398 E HA 0.211 4.590 4.350 0.048 0.000 0.217 398 E C -2.084 174.438 176.600 -0.130 0.000 1.092 398 E CA -1.427 54.906 56.400 -0.112 0.000 1.365 398 E CB 1.115 30.768 29.700 -0.079 0.000 1.278 398 E HN 0.391 nan 8.360 nan 0.000 0.439 399 P HA -0.200 nan 4.420 nan 0.000 0.219 399 P C 0.339 177.466 177.300 -0.288 0.000 1.145 399 P CA 1.256 64.252 63.100 -0.174 0.000 0.813 399 P CB 0.187 31.813 31.700 -0.123 0.000 0.771 400 D N -2.841 117.437 120.400 -0.203 0.000 2.388 400 D HA 0.051 4.720 4.640 0.048 0.000 0.221 400 D C 0.048 176.420 176.300 0.119 0.000 1.133 400 D CA 0.212 54.180 54.000 -0.054 0.000 0.831 400 D CB -0.242 40.570 40.800 0.020 0.000 0.962 400 D HN 0.375 nan 8.370 nan 0.000 0.502 401 H N 0.002 119.022 119.070 -0.083 0.000 2.638 401 H HA 0.222 4.808 4.556 0.050 0.000 0.317 401 H C -0.592 174.805 175.328 0.114 0.000 1.006 401 H CA -0.621 55.542 56.048 0.193 0.000 1.222 401 H CB 0.788 30.691 29.762 0.235 0.000 1.419 401 H HN -0.111 nan 8.280 nan 0.000 0.489 402 Y N 1.361 121.814 120.300 0.254 0.000 2.519 402 Y HA 0.365 4.943 4.550 0.048 0.000 0.324 402 Y C 0.175 175.815 175.900 -0.432 0.000 1.214 402 Y CA -1.084 57.026 58.100 0.016 0.000 1.260 402 Y CB 1.206 39.705 38.460 0.065 0.000 1.311 402 Y HN 0.243 nan 8.280 nan 0.000 0.505 403 V N 2.213 121.981 119.914 -0.242 0.000 2.320 403 V HA 0.201 4.350 4.120 0.048 0.000 0.268 403 V C -0.697 175.276 176.094 -0.202 0.000 1.021 403 V CA -0.949 61.075 62.300 -0.460 0.000 0.813 403 V CB 0.522 32.101 31.823 -0.408 0.000 1.054 403 V HN 0.537 nan 8.190 nan 0.000 0.444 404 V N 4.738 124.644 119.914 -0.012 0.000 2.458 404 V HA 0.079 4.228 4.120 0.048 0.000 0.287 404 V C 0.364 176.421 176.094 -0.063 0.000 1.009 404 V CA 0.208 62.584 62.300 0.127 0.000 1.091 404 V CB 1.100 33.229 31.823 0.511 0.000 0.960 404 V HN 0.561 nan 8.190 nan 0.000 0.476 405 V N 5.745 125.542 119.914 -0.195 0.000 2.293 405 V HA 0.629 4.778 4.120 0.048 0.000 0.275 405 V C 0.784 176.794 176.094 -0.141 0.000 1.021 405 V CA -0.111 62.021 62.300 -0.280 0.000 0.815 405 V CB 1.041 32.672 31.823 -0.320 0.000 1.025 405 V HN 0.943 nan 8.190 nan 0.000 0.448 406 G N 3.107 111.850 108.800 -0.096 0.000 2.521 406 G HA2 0.840 4.829 3.960 0.048 0.000 0.323 406 G HA3 0.840 4.829 3.960 0.048 0.000 0.323 406 G C -0.634 174.309 174.900 0.072 0.000 1.211 406 G CA -0.327 44.883 45.100 0.183 0.000 0.979 406 G HN 1.237 nan 8.290 nan 0.000 0.490 407 A N -0.066 122.800 122.820 0.077 0.000 2.521 407 A HA 0.515 4.864 4.320 0.048 0.000 0.298 407 A C -0.433 177.215 177.584 0.106 0.000 1.044 407 A CA -0.534 51.542 52.037 0.065 0.000 0.911 407 A CB 0.818 19.796 19.000 -0.037 0.000 1.376 407 A HN 0.887 nan 8.150 nan 0.000 0.392 408 Q N 1.982 121.902 119.800 0.200 0.000 2.315 408 Q HA 0.197 4.566 4.340 0.048 0.000 0.289 408 Q C 0.722 176.775 176.000 0.088 0.000 1.044 408 Q CA 0.613 56.533 55.803 0.196 0.000 0.920 408 Q CB 0.510 29.356 28.738 0.180 0.000 1.214 408 Q HN 0.760 nan 8.270 nan 0.000 0.392 409 R N 2.820 123.366 120.500 0.076 0.000 2.344 409 R HA 0.050 4.419 4.340 0.048 0.000 0.209 409 R C -0.190 176.138 176.300 0.048 0.000 0.886 409 R CA 0.455 56.565 56.100 0.016 0.000 1.040 409 R CB 0.459 30.730 30.300 -0.048 0.000 1.114 409 R HN 0.883 nan 8.270 nan 0.000 0.547 410 D N -0.011 120.449 120.400 0.101 0.000 2.432 410 D HA 0.495 5.164 4.640 0.048 0.000 0.258 410 D C -0.781 175.601 176.300 0.138 0.000 1.146 410 D CA -0.443 53.628 54.000 0.119 0.000 1.015 410 D CB 1.850 42.748 40.800 0.164 0.000 1.107 410 D HN 0.125 nan 8.370 nan 0.000 0.529 411 A N -1.005 121.901 122.820 0.143 0.000 2.581 411 A HA 0.267 4.616 4.320 0.048 0.000 0.294 411 A C -0.747 176.929 177.584 0.152 0.000 1.035 411 A CA -0.793 51.343 52.037 0.163 0.000 0.684 411 A CB 0.147 19.233 19.000 0.144 0.000 1.282 411 A HN 0.700 nan 8.150 nan 0.000 0.417 412 W N 2.010 123.271 121.300 -0.066 0.000 2.423 412 W HA 0.310 5.000 4.660 0.050 0.000 0.321 412 W C 1.480 177.970 176.519 -0.048 0.000 1.180 412 W CA 2.845 60.068 57.345 -0.204 0.000 1.322 412 W CB -0.506 28.732 29.460 -0.370 0.000 1.174 412 W HN 0.997 nan 8.180 nan 0.000 0.470 413 G N -0.018 108.883 108.800 0.167 0.000 2.624 413 G HA2 0.081 4.070 3.960 0.048 0.000 0.217 413 G HA3 0.081 4.070 3.960 0.048 0.000 0.217 413 G C -1.779 173.135 174.900 0.024 0.000 1.506 413 G CA 0.261 45.353 45.100 -0.014 0.000 1.072 413 G HN 0.093 nan 8.290 nan 0.000 0.568 414 P HA 0.052 nan 4.420 nan 0.000 0.236 414 P C 1.147 178.512 177.300 0.108 0.000 1.177 414 P CA 1.045 64.189 63.100 0.072 0.000 0.773 414 P CB 0.025 31.773 31.700 0.080 0.000 0.878 415 G N 1.270 110.156 108.800 0.143 0.000 2.385 415 G HA2 -0.239 3.750 3.960 0.048 0.000 0.284 415 G HA3 -0.239 3.750 3.960 0.048 0.000 0.284 415 G C 1.144 176.112 174.900 0.114 0.000 0.899 415 G CA 0.381 45.569 45.100 0.148 0.000 1.204 415 G HN 0.494 nan 8.290 nan 0.000 0.486 416 A N -0.232 122.667 122.820 0.131 0.000 1.972 416 A HA 0.273 4.622 4.320 0.048 0.000 0.219 416 A C 2.674 180.295 177.584 0.062 0.000 1.169 416 A CA 2.229 54.342 52.037 0.126 0.000 0.635 416 A CB -0.373 18.742 19.000 0.192 0.000 0.810 416 A HN 1.719 nan 8.150 nan 0.000 0.446 417 A N -0.172 122.648 122.820 -0.000 0.000 1.859 417 A HA 0.087 4.436 4.320 0.048 0.000 0.212 417 A C 2.005 179.554 177.584 -0.057 0.000 1.238 417 A CA 1.603 53.564 52.037 -0.127 0.000 0.613 417 A CB -0.487 18.242 19.000 -0.452 0.000 0.904 417 A HN 0.429 nan 8.150 nan 0.000 0.457 418 K N -0.326 120.073 120.400 -0.003 0.000 2.173 418 K HA -0.151 4.198 4.320 0.048 0.000 0.207 418 K C 1.742 178.375 176.600 0.055 0.000 1.046 418 K CA 2.192 58.508 56.287 0.048 0.000 0.929 418 K CB -0.138 32.433 32.500 0.118 0.000 0.720 418 K HN 0.418 nan 8.250 nan 0.000 0.453 419 S N -2.567 113.166 115.700 0.054 0.000 2.648 419 S HA 0.230 4.729 4.470 0.048 0.000 0.270 419 S C 1.472 176.087 174.600 0.024 0.000 1.082 419 S CA 0.124 58.353 58.200 0.048 0.000 1.116 419 S CB -0.009 63.231 63.200 0.067 0.000 1.040 419 S HN 0.467 nan 8.310 nan 0.000 0.572 420 G N 2.223 111.043 108.800 0.034 0.000 2.575 420 G HA2 -0.116 3.873 3.960 0.048 0.000 0.215 420 G HA3 -0.116 3.873 3.960 0.048 0.000 0.215 420 G C 1.394 176.303 174.900 0.014 0.000 1.262 420 G CA 1.435 46.555 45.100 0.033 0.000 0.807 420 G HN 0.407 nan 8.290 nan 0.000 0.567 421 V N 2.038 121.964 119.914 0.020 0.000 2.277 421 V HA -0.227 3.922 4.120 0.048 0.000 0.253 421 V C 3.092 179.162 176.094 -0.039 0.000 1.067 421 V CA 2.321 64.620 62.300 -0.001 0.000 1.047 421 V CB -1.499 30.325 31.823 0.003 0.000 0.649 421 V HN 0.514 nan 8.190 nan 0.000 0.447 422 G N -0.336 108.445 108.800 -0.032 0.000 2.604 422 G HA2 -0.286 3.702 3.960 0.048 0.000 0.216 422 G HA3 -0.286 3.702 3.960 0.048 0.000 0.216 422 G C 1.631 176.496 174.900 -0.059 0.000 1.265 422 G CA 1.653 46.726 45.100 -0.045 0.000 0.804 422 G HN 0.447 nan 8.290 nan 0.000 0.579 423 T N 1.751 116.274 114.554 -0.052 0.000 2.778 423 T HA -0.082 4.297 4.350 0.048 0.000 0.269 423 T C 2.695 177.347 174.700 -0.080 0.000 1.050 423 T CA 1.701 63.755 62.100 -0.076 0.000 1.137 423 T CB -0.414 68.401 68.868 -0.088 0.000 0.860 423 T HN 0.444 nan 8.240 nan 0.000 0.468 424 A N 1.164 123.941 122.820 -0.071 0.000 1.877 424 A HA -0.015 4.334 4.320 0.048 0.000 0.216 424 A C 2.301 179.784 177.584 -0.168 0.000 1.186 424 A CA 1.282 53.272 52.037 -0.077 0.000 0.620 424 A CB -0.796 18.174 19.000 -0.050 0.000 0.822 424 A HN 0.486 nan 8.150 nan 0.000 0.443 425 L N -0.850 120.241 121.223 -0.220 0.000 2.027 425 L HA -0.146 4.223 4.340 0.048 0.000 0.206 425 L C 2.615 179.396 176.870 -0.147 0.000 1.074 425 L CA 1.151 55.810 54.840 -0.300 0.000 0.745 425 L CB -0.565 41.369 42.059 -0.208 0.000 0.898 425 L HN 0.449 nan 8.230 nan 0.000 0.433 426 L N -0.156 121.025 121.223 -0.071 0.000 2.021 426 L HA -0.307 4.062 4.340 0.048 0.000 0.215 426 L C 2.560 179.422 176.870 -0.013 0.000 1.074 426 L CA 1.700 56.545 54.840 0.008 0.000 0.760 426 L CB -0.140 41.926 42.059 0.012 0.000 0.889 426 L HN 0.252 nan 8.230 nan 0.000 0.433 427 L N -0.645 120.565 121.223 -0.021 0.000 1.973 427 L HA -0.233 4.136 4.340 0.048 0.000 0.208 427 L C 2.736 179.523 176.870 -0.138 0.000 1.073 427 L CA 1.184 56.044 54.840 0.033 0.000 0.746 427 L CB -0.666 41.415 42.059 0.038 0.000 0.891 427 L HN 0.131 nan 8.230 nan 0.000 0.433 428 K N -0.106 120.242 120.400 -0.087 0.000 2.103 428 K HA -0.176 4.173 4.320 0.048 0.000 0.207 428 K C 2.023 178.560 176.600 -0.105 0.000 1.048 428 K CA 1.254 57.508 56.287 -0.055 0.000 0.930 428 K CB -0.654 31.898 32.500 0.087 0.000 0.716 428 K HN 0.115 nan 8.250 nan 0.000 0.444 429 L N 0.677 121.846 121.223 -0.090 0.000 2.109 429 L HA 0.000 4.369 4.340 0.048 0.000 0.207 429 L C 2.090 178.979 176.870 0.032 0.000 1.086 429 L CA 1.581 56.469 54.840 0.079 0.000 0.760 429 L CB -0.836 41.335 42.059 0.186 0.000 0.910 429 L HN 0.118 nan 8.230 nan 0.000 0.437 430 A N -1.382 121.137 122.820 -0.502 0.000 1.929 430 A HA -0.220 4.129 4.320 0.048 0.000 0.216 430 A C 2.254 179.372 177.584 -0.777 0.000 1.176 430 A CA 1.323 52.631 52.037 -1.216 0.000 0.628 430 A CB -0.528 17.462 19.000 -1.684 0.000 0.816 430 A HN 0.574 nan 8.150 nan 0.000 0.444 431 Q N -0.706 118.501 119.800 -0.988 0.000 2.135 431 Q HA -0.185 4.184 4.340 0.048 0.000 0.204 431 Q C 2.024 177.793 176.000 -0.386 0.000 0.981 431 Q CA 1.863 57.018 55.803 -1.079 0.000 0.856 431 Q CB -0.206 27.935 28.738 -0.996 0.000 0.902 431 Q HN 0.705 nan 8.270 nan 0.000 0.425 432 M N -0.683 118.773 119.600 -0.240 0.000 2.064 432 M HA -0.108 4.401 4.480 0.048 0.000 0.260 432 M C 1.911 178.126 176.300 -0.142 0.000 1.073 432 M CA 1.436 56.624 55.300 -0.187 0.000 1.124 432 M CB -0.387 32.059 32.600 -0.257 0.000 1.326 432 M HN 0.197 nan 8.290 nan 0.000 0.410 433 F N 1.118 121.113 119.950 0.076 0.000 2.120 433 F HA -0.271 4.286 4.527 0.049 0.000 0.300 433 F C 3.012 178.923 175.800 0.185 0.000 1.095 433 F CA 1.915 60.055 58.000 0.233 0.000 1.249 433 F CB -1.072 38.153 39.000 0.374 0.000 0.995 433 F HN 0.272 nan 8.300 nan 0.000 0.480 434 S N -0.399 115.444 115.700 0.239 0.000 2.359 434 S HA -0.298 4.201 4.470 0.048 0.000 0.224 434 S C 1.772 176.453 174.600 0.134 0.000 1.035 434 S CA 1.642 59.941 58.200 0.165 0.000 1.018 434 S CB -0.998 62.254 63.200 0.086 0.000 0.876 434 S HN 0.421 nan 8.310 nan 0.000 0.448 435 D N 1.250 121.694 120.400 0.073 0.000 2.092 435 D HA -0.087 4.581 4.640 0.048 0.000 0.193 435 D C 2.090 178.436 176.300 0.078 0.000 0.994 435 D CA 1.645 55.679 54.000 0.057 0.000 0.828 435 D CB -0.281 40.522 40.800 0.006 0.000 0.963 435 D HN 0.388 nan 8.370 nan 0.000 0.450 436 M N -0.441 119.210 119.600 0.086 0.000 2.149 436 M HA -0.164 4.345 4.480 0.048 0.000 0.261 436 M C 2.131 178.569 176.300 0.230 0.000 1.064 436 M CA 0.833 56.213 55.300 0.134 0.000 1.102 436 M CB -0.119 32.571 32.600 0.149 0.000 1.369 436 M HN 0.050 nan 8.290 nan 0.000 0.408 437 V N 0.209 120.269 119.914 0.244 0.000 2.358 437 V HA -0.229 3.920 4.120 0.048 0.000 0.246 437 V C 2.331 178.521 176.094 0.159 0.000 1.047 437 V CA 1.208 63.618 62.300 0.185 0.000 1.035 437 V CB -0.508 31.420 31.823 0.174 0.000 0.658 437 V HN 0.369 nan 8.190 nan 0.000 0.452 438 L N -0.260 121.046 121.223 0.138 0.000 2.049 438 L HA -0.029 4.340 4.340 0.048 0.000 0.203 438 L C 2.345 179.268 176.870 0.089 0.000 1.074 438 L CA 1.936 56.843 54.840 0.113 0.000 0.749 438 L CB -1.248 40.870 42.059 0.100 0.000 0.907 438 L HN 0.334 nan 8.230 nan 0.000 0.439 439 K N -0.416 120.030 120.400 0.076 0.000 2.099 439 K HA -0.039 4.310 4.320 0.048 0.000 0.203 439 K C 1.411 178.038 176.600 0.046 0.000 1.047 439 K CA 0.849 57.168 56.287 0.053 0.000 0.963 439 K CB 0.076 32.599 32.500 0.038 0.000 0.759 439 K HN 0.240 nan 8.250 nan 0.000 0.451 440 D N -0.292 120.139 120.400 0.051 0.000 2.355 440 D HA 0.017 4.686 4.640 0.048 0.000 0.218 440 D C 0.961 177.293 176.300 0.054 0.000 1.004 440 D CA 0.852 54.874 54.000 0.036 0.000 0.880 440 D CB 0.712 41.518 40.800 0.010 0.000 0.911 440 D HN 0.450 nan 8.370 nan 0.000 0.528 441 G N 1.496 110.344 108.800 0.079 0.000 2.143 441 G HA2 -0.288 3.701 3.960 0.048 0.000 0.249 441 G HA3 -0.288 3.701 3.960 0.048 0.000 0.249 441 G C 0.106 175.056 174.900 0.084 0.000 0.981 441 G CA -0.240 44.897 45.100 0.063 0.000 0.665 441 G HN 0.316 nan 8.290 nan 0.000 0.528 442 F N 2.194 122.112 119.950 -0.054 0.000 2.533 442 F HA 0.504 5.059 4.527 0.047 0.000 0.378 442 F C 0.713 176.410 175.800 -0.173 0.000 1.070 442 F CA -0.631 57.328 58.000 -0.069 0.000 1.172 442 F CB 0.475 39.479 39.000 0.007 0.000 1.085 442 F HN 0.246 nan 8.300 nan 0.000 0.552 443 Q N 7.870 127.469 119.800 -0.335 0.000 2.842 443 Q HA 0.271 4.640 4.340 0.048 0.000 0.323 443 Q C -2.337 173.197 176.000 -0.776 0.000 1.111 443 Q CA -1.999 53.186 55.803 -1.032 0.000 1.047 443 Q CB 0.445 28.547 28.738 -1.060 0.000 1.280 443 Q HN 0.461 nan 8.270 nan 0.000 0.475 444 P HA -0.082 nan 4.420 nan 0.000 0.257 444 P C 0.245 177.513 177.300 -0.052 0.000 1.162 444 P CA 0.685 63.562 63.100 -0.371 0.000 0.762 444 P CB 0.871 32.323 31.700 -0.413 0.000 0.753 445 S N 2.710 118.432 115.700 0.037 0.000 2.447 445 S HA -0.048 4.451 4.470 0.048 0.000 0.233 445 S C 0.748 175.403 174.600 0.091 0.000 1.006 445 S CA 1.043 59.288 58.200 0.075 0.000 0.957 445 S CB -0.122 63.110 63.200 0.053 0.000 0.773 445 S HN 0.428 nan 8.310 nan 0.000 0.507 446 R N 1.176 121.739 120.500 0.104 0.000 2.686 446 R HA 0.364 4.733 4.340 0.048 0.000 0.283 446 R C -0.449 175.875 176.300 0.040 0.000 0.978 446 R CA -0.384 55.781 56.100 0.109 0.000 0.897 446 R CB 1.791 32.263 30.300 0.287 0.000 1.192 446 R HN 0.218 nan 8.270 nan 0.000 0.457 447 S N 2.415 118.040 115.700 -0.125 0.000 2.573 447 S HA 0.274 4.773 4.470 0.048 0.000 0.277 447 S C 0.447 174.987 174.600 -0.101 0.000 1.346 447 S CA -0.341 57.750 58.200 -0.181 0.000 1.034 447 S CB 0.473 63.399 63.200 -0.456 0.000 0.879 447 S HN 0.413 nan 8.310 nan 0.000 0.528 448 I N 1.866 122.401 120.570 -0.059 0.000 2.493 448 I HA 0.519 4.718 4.170 0.048 0.000 0.298 448 I C -0.288 175.747 176.117 -0.138 0.000 0.998 448 I CA -0.740 60.438 61.300 -0.203 0.000 1.137 448 I CB 1.664 39.421 38.000 -0.405 0.000 1.310 448 I HN 0.674 nan 8.210 nan 0.000 0.445 449 I N 5.980 126.416 120.570 -0.224 0.000 2.517 449 I HA 0.387 4.586 4.170 0.048 0.000 0.280 449 I C -1.261 174.690 176.117 -0.275 0.000 1.061 449 I CA -0.368 60.895 61.300 -0.061 0.000 1.091 449 I CB 0.626 38.770 38.000 0.239 0.000 1.205 449 I HN 0.319 nan 8.210 nan 0.000 0.459 450 F N 6.379 126.208 119.950 -0.202 0.000 2.389 450 F HA 0.694 5.250 4.527 0.049 0.000 0.337 450 F C 0.742 176.269 175.800 -0.455 0.000 1.112 450 F CA -0.384 57.431 58.000 -0.308 0.000 1.192 450 F CB 1.261 40.021 39.000 -0.399 0.000 1.185 450 F HN 0.482 nan 8.300 nan 0.000 0.552 451 A N 1.369 123.927 122.820 -0.437 0.000 2.437 451 A HA 0.547 4.896 4.320 0.048 0.000 0.293 451 A C -0.909 175.971 177.584 -1.173 0.000 1.038 451 A CA -0.617 50.727 52.037 -1.155 0.000 0.708 451 A CB 1.390 19.200 19.000 -1.983 0.000 1.251 451 A HN 0.567 nan 8.150 nan 0.000 0.409 452 S N 2.638 117.758 115.700 -0.966 0.000 2.488 452 S HA 0.507 5.006 4.470 0.048 0.000 0.310 452 S C -0.337 173.874 174.600 -0.648 0.000 1.093 452 S CA -0.451 57.357 58.200 -0.653 0.000 1.129 452 S CB -0.359 62.618 63.200 -0.372 0.000 0.989 452 S HN 0.505 nan 8.310 nan 0.000 0.479 453 W N 2.699 123.903 121.300 -0.160 0.000 1.992 453 W HA 0.538 5.231 4.660 0.054 0.000 0.360 453 W C 1.066 177.567 176.519 -0.030 0.000 1.369 453 W CA -0.434 56.852 57.345 -0.098 0.000 1.403 453 W CB 0.202 29.651 29.460 -0.019 0.000 1.215 453 W HN 0.496 nan 8.180 nan 0.000 0.643 454 S N -0.712 115.157 115.700 0.282 0.000 2.651 454 S HA 0.523 5.022 4.470 0.048 0.000 0.279 454 S C -0.064 174.666 174.600 0.217 0.000 1.148 454 S CA -0.107 58.206 58.200 0.189 0.000 0.837 454 S CB 1.100 64.370 63.200 0.116 0.000 1.138 454 S HN 1.586 nan 8.310 nan 0.000 0.478 455 A N 0.126 123.073 122.820 0.212 0.000 2.826 455 A HA -0.150 4.199 4.320 0.048 0.000 0.274 455 A C 1.359 179.164 177.584 0.369 0.000 1.443 455 A CA 1.726 53.923 52.037 0.265 0.000 0.833 455 A CB -2.281 16.796 19.000 0.128 0.000 1.023 455 A HN 1.630 nan 8.150 nan 0.000 0.600 456 G N -1.075 107.919 108.800 0.323 0.000 2.511 456 G HA2 -0.015 3.974 3.960 0.048 0.000 0.217 456 G HA3 -0.015 3.974 3.960 0.048 0.000 0.217 456 G C 0.936 176.006 174.900 0.283 0.000 1.133 456 G CA 1.102 46.371 45.100 0.282 0.000 0.792 456 G HN 0.605 nan 8.290 nan 0.000 0.539 457 D N -0.017 120.564 120.400 0.301 0.000 2.378 457 D HA -0.008 4.661 4.640 0.048 0.000 0.222 457 D C 0.606 176.790 176.300 -0.193 0.000 0.980 457 D CA 0.443 54.516 54.000 0.123 0.000 0.907 457 D CB 0.002 40.905 40.800 0.171 0.000 0.899 457 D HN 0.373 nan 8.370 nan 0.000 0.527 458 F N -0.564 119.434 119.950 0.080 0.000 2.684 458 F HA 0.337 4.892 4.527 0.047 0.000 0.298 458 F C 1.435 177.308 175.800 0.123 0.000 1.120 458 F CA -0.273 57.659 58.000 -0.114 0.000 1.332 458 F CB 0.793 39.899 39.000 0.177 0.000 0.986 458 F HN -0.128 nan 8.300 nan 0.000 0.524 459 G N -0.436 108.691 108.800 0.546 0.000 2.237 459 G HA2 -0.178 3.811 3.960 0.048 0.000 0.153 459 G HA3 -0.178 3.811 3.960 0.048 0.000 0.153 459 G C 0.627 175.683 174.900 0.261 0.000 1.039 459 G CA -0.217 45.212 45.100 0.548 0.000 0.719 459 G HN 0.189 nan 8.290 nan 0.000 0.491 460 S N -2.605 113.227 115.700 0.221 0.000 3.445 460 S HA -0.330 4.169 4.470 0.048 0.000 0.319 460 S C 2.124 176.773 174.600 0.081 0.000 1.209 460 S CA 1.288 59.559 58.200 0.118 0.000 0.934 460 S CB -1.754 61.474 63.200 0.047 0.000 0.999 460 S HN 1.546 nan 8.310 nan 0.000 0.582 461 V N 0.560 120.566 119.914 0.154 0.000 2.357 461 V HA -0.340 3.809 4.120 0.048 0.000 0.257 461 V C 2.653 178.768 176.094 0.035 0.000 1.082 461 V CA 2.598 64.955 62.300 0.096 0.000 1.078 461 V CB -1.512 30.401 31.823 0.150 0.000 0.663 461 V HN 0.769 nan 8.190 nan 0.000 0.455 462 G N -0.664 108.199 108.800 0.104 0.000 2.464 462 G HA2 -0.106 3.883 3.960 0.048 0.000 0.214 462 G HA3 -0.106 3.883 3.960 0.048 0.000 0.214 462 G C 1.774 176.747 174.900 0.122 0.000 1.218 462 G CA 0.992 46.191 45.100 0.166 0.000 0.794 462 G HN 0.636 nan 8.290 nan 0.000 0.542 463 A N 0.266 123.012 122.820 -0.124 0.000 1.902 463 A HA -0.026 4.323 4.320 0.048 0.000 0.217 463 A C 2.542 179.909 177.584 -0.361 0.000 1.181 463 A CA 2.612 54.159 52.037 -0.816 0.000 0.623 463 A CB -1.059 17.005 19.000 -1.561 0.000 0.818 463 A HN 0.336 nan 8.150 nan 0.000 0.443 464 T N 0.283 114.702 114.554 -0.224 0.000 2.674 464 T HA -0.132 4.247 4.350 0.048 0.000 0.265 464 T C 1.659 176.257 174.700 -0.171 0.000 1.039 464 T CA 1.429 63.410 62.100 -0.198 0.000 1.150 464 T CB -0.320 68.451 68.868 -0.163 0.000 0.864 464 T HN 0.497 nan 8.240 nan 0.000 0.427 465 E N -0.081 120.020 120.200 -0.165 0.000 2.333 465 E HA -0.110 4.269 4.350 0.048 0.000 0.198 465 E C 1.683 178.247 176.600 -0.060 0.000 1.007 465 E CA 0.503 56.771 56.400 -0.220 0.000 0.845 465 E CB -0.199 29.247 29.700 -0.422 0.000 0.766 465 E HN 0.685 nan 8.360 nan 0.000 0.507 466 W N 1.455 122.708 121.300 -0.078 0.000 2.408 466 W HA -0.087 4.600 4.660 0.045 0.000 0.311 466 W C 1.916 178.524 176.519 0.149 0.000 1.190 466 W CA 1.033 58.507 57.345 0.215 0.000 1.321 466 W CB -0.535 29.167 29.460 0.404 0.000 1.143 466 W HN -0.064 nan 8.180 nan 0.000 0.501 467 L N 0.625 121.871 121.223 0.038 0.000 2.012 467 L HA -0.266 4.102 4.340 0.048 0.000 0.210 467 L C 2.414 179.303 176.870 0.030 0.000 1.073 467 L CA 2.038 56.783 54.840 -0.158 0.000 0.748 467 L CB -1.265 40.691 42.059 -0.172 0.000 0.891 467 L HN 0.041 nan 8.230 nan 0.000 0.431 468 E N 0.102 120.330 120.200 0.046 0.000 2.208 468 E HA -0.253 4.126 4.350 0.048 0.000 0.202 468 E C 2.136 178.749 176.600 0.022 0.000 1.014 468 E CA 1.080 57.517 56.400 0.062 0.000 0.819 468 E CB -0.303 29.328 29.700 -0.114 0.000 0.735 468 E HN 0.633 nan 8.360 nan 0.000 0.469 469 G N -0.400 108.378 108.800 -0.036 0.000 2.422 469 G HA2 -0.196 3.792 3.960 0.048 0.000 0.218 469 G HA3 -0.196 3.792 3.960 0.048 0.000 0.218 469 G C 0.459 175.160 174.900 -0.332 0.000 1.140 469 G CA 0.412 45.416 45.100 -0.160 0.000 0.775 469 G HN 0.209 nan 8.290 nan 0.000 0.545 470 Y N -0.048 120.075 120.300 -0.296 0.000 2.631 470 Y HA 0.375 4.954 4.550 0.047 0.000 0.361 470 Y C 1.345 177.093 175.900 -0.254 0.000 0.941 470 Y CA -1.243 56.675 58.100 -0.303 0.000 1.327 470 Y CB 0.560 38.765 38.460 -0.426 0.000 1.299 470 Y HN 0.021 nan 8.280 nan 0.000 0.578 471 L N 0.910 122.087 121.223 -0.076 0.000 2.283 471 L HA -0.241 4.128 4.340 0.048 0.000 0.217 471 L C 1.394 178.191 176.870 -0.121 0.000 1.104 471 L CA 2.328 57.104 54.840 -0.106 0.000 0.772 471 L CB -0.190 41.845 42.059 -0.039 0.000 0.899 471 L HN 0.384 nan 8.230 nan 0.000 0.439 472 S N -4.063 111.565 115.700 -0.120 0.000 3.073 472 S HA 0.284 4.783 4.470 0.048 0.000 0.252 472 S C 0.676 175.106 174.600 -0.284 0.000 0.953 472 S CA 0.022 58.142 58.200 -0.133 0.000 1.105 472 S CB -0.227 62.938 63.200 -0.059 0.000 1.070 472 S HN 0.419 nan 8.310 nan 0.000 0.574 473 S N -0.083 115.414 115.700 -0.338 0.000 2.617 473 S HA 0.193 4.692 4.470 0.048 0.000 0.278 473 S C 1.147 175.458 174.600 -0.482 0.000 1.082 473 S CA 0.171 58.104 58.200 -0.445 0.000 1.228 473 S CB -0.474 62.616 63.200 -0.183 0.000 1.130 473 S HN 0.252 nan 8.310 nan 0.000 0.621 474 L N 4.657 125.671 121.223 -0.349 0.000 2.051 474 L HA -0.180 4.189 4.340 0.048 0.000 0.214 474 L C 2.626 179.342 176.870 -0.256 0.000 1.076 474 L CA 2.682 57.314 54.840 -0.347 0.000 0.758 474 L CB -1.147 40.708 42.059 -0.339 0.000 0.890 474 L HN 0.702 nan 8.230 nan 0.000 0.433 475 H N -1.565 117.385 119.070 -0.199 0.000 2.489 475 H HA -0.132 4.454 4.556 0.049 0.000 0.293 475 H C 2.007 177.279 175.328 -0.093 0.000 1.066 475 H CA 1.437 57.409 56.048 -0.127 0.000 1.305 475 H CB -0.568 29.058 29.762 -0.227 0.000 1.386 475 H HN 0.454 nan 8.280 nan 0.000 0.551 476 L N 0.174 121.088 121.223 -0.515 0.000 2.478 476 L HA -0.032 4.337 4.340 0.048 0.000 0.223 476 L C 2.038 178.914 176.870 0.010 0.000 1.140 476 L CA 0.850 55.561 54.840 -0.215 0.000 0.842 476 L CB 0.110 41.988 42.059 -0.301 0.000 0.953 476 L HN 0.210 nan 8.230 nan 0.000 0.452 477 K N -0.571 119.829 120.400 -0.000 0.000 2.309 477 K HA 0.298 4.647 4.320 0.048 0.000 0.210 477 K C 0.646 177.405 176.600 0.265 0.000 1.114 477 K CA 0.312 56.699 56.287 0.166 0.000 0.912 477 K CB 0.224 32.721 32.500 -0.004 0.000 1.198 477 K HN 0.046 nan 8.250 nan 0.000 0.471 478 A N 1.651 124.564 122.820 0.155 0.000 2.289 478 A HA 0.362 4.711 4.320 0.048 0.000 0.298 478 A C 0.161 177.860 177.584 0.192 0.000 1.208 478 A CA -0.404 51.746 52.037 0.188 0.000 0.845 478 A CB -0.264 18.892 19.000 0.259 0.000 1.125 478 A HN 0.441 nan 8.150 nan 0.000 0.517 479 F N 0.474 120.514 119.950 0.151 0.000 2.695 479 F HA 0.479 5.034 4.527 0.047 0.000 0.303 479 F C 0.109 175.993 175.800 0.140 0.000 1.091 479 F CA -0.284 57.776 58.000 0.099 0.000 1.300 479 F CB -0.016 38.985 39.000 0.002 0.000 1.071 479 F HN 0.291 nan 8.300 nan 0.000 0.578 480 T N 0.004 114.521 114.554 -0.061 0.000 3.225 480 T HA 0.203 4.582 4.350 0.048 0.000 0.356 480 T C -2.502 172.208 174.700 0.016 0.000 1.460 480 T CA -0.491 61.632 62.100 0.038 0.000 1.126 480 T CB 1.367 70.262 68.868 0.045 0.000 1.321 480 T HN 0.128 nan 8.240 nan 0.000 0.478 481 Y N 4.092 124.348 120.300 -0.073 0.000 2.328 481 Y HA 0.727 5.304 4.550 0.045 0.000 0.333 481 Y C -0.847 174.942 175.900 -0.185 0.000 0.958 481 Y CA -1.226 56.734 58.100 -0.233 0.000 1.167 481 Y CB 0.435 38.571 38.460 -0.540 0.000 1.151 481 Y HN 0.609 nan 8.280 nan 0.000 0.470 482 I N 5.569 125.701 120.570 -0.732 0.000 2.664 482 I HA 0.313 4.512 4.170 0.048 0.000 0.308 482 I C -0.330 175.198 176.117 -0.982 0.000 0.984 482 I CA -0.866 60.106 61.300 -0.547 0.000 1.213 482 I CB 1.436 39.315 38.000 -0.201 0.000 1.379 482 I HN 0.621 nan 8.210 nan 0.000 0.501 483 N N 4.368 122.691 118.700 -0.629 0.000 2.454 483 N HA 0.306 5.075 4.740 0.048 0.000 0.291 483 N C -0.405 174.843 175.510 -0.438 0.000 1.079 483 N CA -0.412 52.331 53.050 -0.511 0.000 0.893 483 N CB 1.947 40.238 38.487 -0.326 0.000 1.512 483 N HN 0.546 nan 8.380 nan 0.000 0.497 484 L N 0.818 121.864 121.223 -0.294 0.000 2.592 484 L HA 0.226 4.595 4.340 0.048 0.000 0.227 484 L C 0.147 176.906 176.870 -0.185 0.000 1.127 484 L CA -0.158 54.514 54.840 -0.280 0.000 0.884 484 L CB -0.163 41.808 42.059 -0.146 0.000 1.065 484 L HN 0.367 nan 8.230 nan 0.000 0.457 485 D N 2.154 122.480 120.400 -0.123 0.000 2.506 485 D HA -0.056 4.613 4.640 0.048 0.000 0.234 485 D C 0.540 176.791 176.300 -0.082 0.000 1.143 485 D CA 0.425 54.391 54.000 -0.057 0.000 0.871 485 D CB 0.456 41.255 40.800 -0.002 0.000 1.190 485 D HN 0.035 nan 8.370 nan 0.000 0.459 486 K N 0.528 120.900 120.400 -0.046 0.000 3.213 486 K HA -0.273 4.076 4.320 0.048 0.000 0.266 486 K C 0.829 177.410 176.600 -0.031 0.000 0.911 486 K CA 0.327 56.586 56.287 -0.046 0.000 0.684 486 K CB -0.999 31.476 32.500 -0.041 0.000 1.402 486 K HN 0.507 nan 8.250 nan 0.000 0.465 487 A N 0.044 122.858 122.820 -0.011 0.000 1.929 487 A HA 0.000 4.349 4.320 0.048 0.000 0.216 487 A C 0.891 178.621 177.584 0.243 0.000 1.176 487 A CA 1.036 53.132 52.037 0.099 0.000 0.628 487 A CB 0.552 19.635 19.000 0.138 0.000 0.816 487 A HN 0.144 nan 8.150 nan 0.000 0.444 488 V N 0.362 120.363 119.914 0.145 0.000 2.350 488 V HA 0.428 4.577 4.120 0.048 0.000 0.285 488 V C -0.083 176.043 176.094 0.052 0.000 1.014 488 V CA -0.187 62.202 62.300 0.147 0.000 0.831 488 V CB 1.331 33.204 31.823 0.082 0.000 1.000 488 V HN 0.313 nan 8.190 nan 0.000 0.433 489 L N 3.973 125.255 121.223 0.098 0.000 3.174 489 L HA 0.698 5.067 4.340 0.048 0.000 0.283 489 L C 0.882 177.848 176.870 0.161 0.000 1.187 489 L CA 0.943 55.821 54.840 0.062 0.000 1.018 489 L CB 0.728 42.816 42.059 0.048 0.000 1.433 489 L HN 0.801 nan 8.230 nan 0.000 0.593 490 G N -1.271 107.626 108.800 0.162 0.000 2.500 490 G HA2 0.452 4.441 3.960 0.048 0.000 0.299 490 G HA3 0.452 4.441 3.960 0.048 0.000 0.299 490 G C -0.423 174.572 174.900 0.159 0.000 1.242 490 G CA 0.444 45.636 45.100 0.153 0.000 0.859 490 G HN -0.179 nan 8.290 nan 0.000 0.481 491 T N -2.969 111.695 114.554 0.183 0.000 3.488 491 T HA 0.399 4.778 4.350 0.048 0.000 0.312 491 T C 1.010 175.933 174.700 0.371 0.000 0.931 491 T CA 0.932 63.185 62.100 0.256 0.000 0.982 491 T CB 0.450 69.429 68.868 0.186 0.000 1.198 491 T HN 0.369 nan 8.240 nan 0.000 0.545 492 S N 1.858 117.728 115.700 0.283 0.000 2.431 492 S HA 0.273 4.772 4.470 0.048 0.000 0.210 492 S C 0.912 175.687 174.600 0.292 0.000 1.013 492 S CA 0.012 58.363 58.200 0.251 0.000 0.920 492 S CB -0.055 63.228 63.200 0.140 0.000 0.882 492 S HN 0.532 nan 8.310 nan 0.000 0.567 493 N N 0.423 119.255 118.700 0.219 0.000 2.476 493 N HA 0.368 5.137 4.740 0.048 0.000 0.287 493 N C -1.229 174.415 175.510 0.223 0.000 1.262 493 N CA -0.214 52.948 53.050 0.186 0.000 0.980 493 N CB 0.479 39.026 38.487 0.100 0.000 1.163 493 N HN 0.246 nan 8.380 nan 0.000 0.592 494 F N 0.648 120.563 119.950 -0.059 0.000 2.766 494 F HA 0.247 4.806 4.527 0.053 0.000 0.355 494 F C 0.073 175.795 175.800 -0.131 0.000 1.434 494 F CA -0.728 57.143 58.000 -0.216 0.000 1.139 494 F CB 0.210 39.008 39.000 -0.337 0.000 1.816 494 F HN 0.265 nan 8.300 nan 0.000 0.600 495 K N 2.191 122.397 120.400 -0.323 0.000 2.440 495 K HA 0.503 4.852 4.320 0.048 0.000 0.270 495 K C -1.264 175.036 176.600 -0.500 0.000 0.980 495 K CA 0.146 56.254 56.287 -0.299 0.000 0.953 495 K CB 0.778 33.167 32.500 -0.185 0.000 0.925 495 K HN 0.304 nan 8.250 nan 0.000 0.497 496 V N 2.370 122.095 119.914 -0.315 0.000 2.752 496 V HA 0.202 4.351 4.120 0.048 0.000 0.302 496 V C -1.325 174.681 176.094 -0.146 0.000 1.133 496 V CA -0.837 61.309 62.300 -0.257 0.000 0.919 496 V CB 2.204 33.905 31.823 -0.204 0.000 1.026 496 V HN 0.843 nan 8.190 nan 0.000 0.429 497 S N 2.922 118.544 115.700 -0.130 0.000 2.502 497 S HA 0.983 5.482 4.470 0.048 0.000 0.304 497 S C -0.161 174.366 174.600 -0.121 0.000 1.097 497 S CA -0.075 58.044 58.200 -0.135 0.000 1.045 497 S CB 1.973 65.086 63.200 -0.145 0.000 1.019 497 S HN 1.357 nan 8.310 nan 0.000 0.481 498 A N 1.529 124.253 122.820 -0.160 0.000 2.511 498 A HA 0.811 5.160 4.320 0.048 0.000 0.293 498 A C -0.666 176.769 177.584 -0.249 0.000 1.098 498 A CA -0.706 51.239 52.037 -0.153 0.000 0.643 498 A CB 0.680 19.627 19.000 -0.090 0.000 1.302 498 A HN 0.703 nan 8.150 nan 0.000 0.446 499 S N 0.753 116.345 115.700 -0.179 0.000 2.565 499 S HA 0.493 4.992 4.470 0.048 0.000 0.274 499 S C -1.105 173.445 174.600 -0.083 0.000 1.309 499 S CA -0.964 57.135 58.200 -0.168 0.000 1.043 499 S CB 0.779 63.999 63.200 0.034 0.000 0.939 499 S HN 0.465 nan 8.310 nan 0.000 0.504 500 P HA -0.170 nan 4.420 nan 0.000 0.218 500 P C 1.432 178.724 177.300 -0.013 0.000 1.146 500 P CA 1.208 64.239 63.100 -0.115 0.000 0.820 500 P CB -0.069 31.442 31.700 -0.315 0.000 0.778 501 L N -1.579 119.681 121.223 0.061 0.000 2.265 501 L HA -0.088 4.281 4.340 0.048 0.000 0.215 501 L C 2.236 179.137 176.870 0.051 0.000 1.117 501 L CA 1.070 55.984 54.840 0.124 0.000 0.782 501 L CB -0.572 41.632 42.059 0.242 0.000 0.914 501 L HN -0.003 nan 8.230 nan 0.000 0.441 502 L N -2.405 118.821 121.223 0.006 0.000 2.769 502 L HA 0.005 4.373 4.340 0.048 0.000 0.240 502 L C 1.872 178.667 176.870 -0.124 0.000 1.163 502 L CA -0.303 54.481 54.840 -0.094 0.000 0.962 502 L CB -0.179 41.788 42.059 -0.153 0.000 1.258 502 L HN 0.075 nan 8.230 nan 0.000 0.513 503 Y N 1.377 121.595 120.300 -0.138 0.000 2.081 503 Y HA -0.324 4.256 4.550 0.049 0.000 0.280 503 Y C 2.462 178.284 175.900 -0.131 0.000 1.163 503 Y CA 2.349 60.373 58.100 -0.128 0.000 1.135 503 Y CB -0.293 38.099 38.460 -0.112 0.000 0.970 503 Y HN 0.081 nan 8.280 nan 0.000 0.498 504 T N 1.010 115.438 114.554 -0.210 0.000 2.915 504 T HA -0.145 4.234 4.350 0.048 0.000 0.269 504 T C 1.755 176.271 174.700 -0.306 0.000 1.071 504 T CA 1.230 63.164 62.100 -0.276 0.000 1.132 504 T CB -0.476 68.317 68.868 -0.124 0.000 0.878 504 T HN 0.291 nan 8.240 nan 0.000 0.479 505 L N 1.065 122.113 121.223 -0.292 0.000 2.044 505 L HA 0.157 4.526 4.340 0.048 0.000 0.205 505 L C 2.076 178.769 176.870 -0.295 0.000 1.075 505 L CA 1.427 56.082 54.840 -0.308 0.000 0.747 505 L CB -0.579 41.242 42.059 -0.397 0.000 0.903 505 L HN 0.227 nan 8.230 nan 0.000 0.435 506 I N -0.383 119.977 120.570 -0.349 0.000 2.163 506 I HA -0.311 3.887 4.170 0.048 0.000 0.243 506 I C 2.505 178.529 176.117 -0.154 0.000 1.085 506 I CA 1.717 62.931 61.300 -0.143 0.000 1.347 506 I CB -0.460 37.454 38.000 -0.145 0.000 1.044 506 I HN 0.460 nan 8.210 nan 0.000 0.408 507 E N 1.485 121.446 120.200 -0.399 0.000 2.000 507 E HA -0.289 4.090 4.350 0.048 0.000 0.199 507 E C 2.091 178.439 176.600 -0.420 0.000 1.011 507 E CA 1.604 57.701 56.400 -0.506 0.000 0.836 507 E CB 0.050 29.354 29.700 -0.661 0.000 0.778 507 E HN 0.115 nan 8.360 nan 0.000 0.462 508 K N -0.045 120.153 120.400 -0.337 0.000 2.293 508 K HA -0.121 4.228 4.320 0.048 0.000 0.204 508 K C 1.975 178.505 176.600 -0.116 0.000 1.045 508 K CA 1.665 57.809 56.287 -0.239 0.000 0.933 508 K CB -0.532 31.838 32.500 -0.216 0.000 0.736 508 K HN 0.184 nan 8.250 nan 0.000 0.463 509 T N 0.262 114.790 114.554 -0.043 0.000 2.851 509 T HA 0.034 4.413 4.350 0.048 0.000 0.262 509 T C 1.525 176.269 174.700 0.073 0.000 1.043 509 T CA 0.920 63.081 62.100 0.103 0.000 1.140 509 T CB -0.057 69.001 68.868 0.316 0.000 0.872 509 T HN 0.156 nan 8.240 nan 0.000 0.446 510 M N 1.156 120.772 119.600 0.027 0.000 2.629 510 M HA -0.027 4.482 4.480 0.048 0.000 0.257 510 M C 1.835 178.203 176.300 0.112 0.000 1.071 510 M CA 1.183 56.500 55.300 0.028 0.000 1.077 510 M CB -0.327 32.328 32.600 0.093 0.000 1.423 510 M HN 0.281 nan 8.290 nan 0.000 0.508 511 Q N -0.597 119.231 119.800 0.048 0.000 2.356 511 Q HA 0.082 4.451 4.340 0.048 0.000 0.205 511 Q C 1.156 177.292 176.000 0.226 0.000 0.901 511 Q CA 0.258 56.107 55.803 0.076 0.000 0.938 511 Q CB 0.468 29.141 28.738 -0.110 0.000 1.081 511 Q HN 0.537 nan 8.270 nan 0.000 0.517 512 N N -0.647 118.217 118.700 0.272 0.000 2.332 512 N HA 0.070 4.839 4.740 0.048 0.000 0.190 512 N C -0.309 175.354 175.510 0.255 0.000 1.117 512 N CA 0.296 53.551 53.050 0.342 0.000 0.883 512 N CB 1.434 40.112 38.487 0.319 0.000 1.089 512 N HN -0.082 nan 8.380 nan 0.000 0.480 513 V N 2.811 122.809 119.914 0.139 0.000 2.383 513 V HA 0.224 4.373 4.120 0.048 0.000 0.275 513 V C 0.200 176.227 176.094 -0.110 0.000 1.036 513 V CA -0.566 61.715 62.300 -0.032 0.000 0.889 513 V CB 1.490 33.242 31.823 -0.118 0.000 0.985 513 V HN -0.047 nan 8.190 nan 0.000 0.459 514 K N 3.057 123.311 120.400 -0.243 0.000 2.172 514 K HA 0.359 4.707 4.320 0.048 0.000 0.276 514 K C 0.023 176.568 176.600 -0.093 0.000 1.013 514 K CA -0.670 55.437 56.287 -0.300 0.000 0.913 514 K CB 1.067 33.276 32.500 -0.486 0.000 1.055 514 K HN 0.795 nan 8.250 nan 0.000 0.461 515 H N 4.199 123.202 119.070 -0.111 0.000 3.092 515 H HA -0.065 4.520 4.556 0.049 0.000 0.332 515 H C -1.317 173.959 175.328 -0.086 0.000 1.029 515 H CA -0.793 55.243 56.048 -0.019 0.000 1.376 515 H CB 0.953 30.726 29.762 0.019 0.000 1.329 515 H HN 0.434 nan 8.280 nan 0.000 0.598 516 P HA -0.179 nan 4.420 nan 0.000 0.216 516 P C 1.216 178.557 177.300 0.069 0.000 1.153 516 P CA 1.108 64.220 63.100 0.019 0.000 0.848 516 P CB 0.297 31.887 31.700 -0.184 0.000 0.787 517 V N -0.093 119.934 119.914 0.188 0.000 2.283 517 V HA -0.042 4.106 4.120 0.048 0.000 0.239 517 V C 1.277 177.268 176.094 -0.172 0.000 1.035 517 V CA 1.676 63.940 62.300 -0.060 0.000 1.018 517 V CB -1.671 30.082 31.823 -0.116 0.000 0.658 517 V HN 0.103 nan 8.190 nan 0.000 0.459 518 T N 0.991 115.314 114.554 -0.385 0.000 2.884 518 T HA 0.321 4.699 4.350 0.048 0.000 0.298 518 T C 1.184 175.814 174.700 -0.118 0.000 0.998 518 T CA 0.452 62.397 62.100 -0.258 0.000 1.124 518 T CB 1.330 70.003 68.868 -0.325 0.000 0.931 518 T HN 0.485 nan 8.240 nan 0.000 0.531 519 G N 2.354 111.100 108.800 -0.090 0.000 2.679 519 G HA2 -0.037 3.952 3.960 0.048 0.000 0.212 519 G HA3 -0.037 3.952 3.960 0.048 0.000 0.212 519 G C 0.527 175.365 174.900 -0.103 0.000 1.137 519 G CA 0.227 45.274 45.100 -0.088 0.000 0.787 519 G HN 0.637 nan 8.290 nan 0.000 0.534 520 Q N -0.678 119.095 119.800 -0.045 0.000 2.317 520 Q HA 0.413 4.782 4.340 0.048 0.000 0.229 520 Q C -0.647 175.366 176.000 0.022 0.000 0.984 520 Q CA -0.776 55.049 55.803 0.037 0.000 0.911 520 Q CB 0.966 29.761 28.738 0.095 0.000 1.217 520 Q HN 0.229 nan 8.270 nan 0.000 0.501 521 F N 0.528 120.503 119.950 0.042 0.000 2.450 521 F HA -0.003 4.552 4.527 0.047 0.000 0.339 521 F C 1.426 177.255 175.800 0.047 0.000 1.146 521 F CA -0.041 57.985 58.000 0.045 0.000 1.267 521 F CB 0.225 39.263 39.000 0.062 0.000 1.178 521 F HN 0.465 nan 8.300 nan 0.000 0.585 522 L N 0.866 122.191 121.223 0.171 0.000 2.083 522 L HA -0.203 4.166 4.340 0.048 0.000 0.209 522 L C 0.533 177.496 176.870 0.155 0.000 1.083 522 L CA 0.862 55.717 54.840 0.026 0.000 0.752 522 L CB -0.430 41.443 42.059 -0.311 0.000 0.899 522 L HN 0.474 nan 8.230 nan 0.000 0.433 523 Y N 2.108 122.451 120.300 0.072 0.000 2.496 523 Y HA 0.033 4.611 4.550 0.046 0.000 0.334 523 Y C 0.495 176.429 175.900 0.057 0.000 1.080 523 Y CA -0.791 57.342 58.100 0.054 0.000 1.355 523 Y CB 0.014 38.490 38.460 0.027 0.000 1.193 523 Y HN 0.090 nan 8.280 nan 0.000 0.523 524 Q N 5.918 125.471 119.800 -0.413 0.000 2.359 524 Q HA -0.065 4.303 4.340 0.048 0.000 0.249 524 Q C 0.777 176.395 176.000 -0.637 0.000 1.181 524 Q CA -0.032 55.541 55.803 -0.383 0.000 0.897 524 Q CB 0.315 28.915 28.738 -0.231 0.000 1.424 524 Q HN 0.794 nan 8.270 nan 0.000 0.478 525 D N 0.897 121.063 120.400 -0.391 0.000 2.357 525 D HA -0.126 4.543 4.640 0.048 0.000 0.216 525 D C 1.236 177.438 176.300 -0.164 0.000 0.973 525 D CA 1.111 54.954 54.000 -0.262 0.000 0.912 525 D CB 0.384 41.128 40.800 -0.094 0.000 0.900 525 D HN 0.490 nan 8.370 nan 0.000 0.501 526 S N -0.451 115.156 115.700 -0.155 0.000 2.603 526 S HA 0.022 4.521 4.470 0.048 0.000 0.220 526 S C 0.712 175.286 174.600 -0.044 0.000 0.967 526 S CA -0.289 57.870 58.200 -0.069 0.000 0.920 526 S CB 0.277 63.446 63.200 -0.051 0.000 0.773 526 S HN 0.077 nan 8.310 nan 0.000 0.529 527 N N 0.707 119.343 118.700 -0.107 0.000 2.545 527 N HA 0.386 5.155 4.740 0.048 0.000 0.289 527 N C 0.082 175.647 175.510 0.092 0.000 1.279 527 N CA -0.570 52.449 53.050 -0.051 0.000 0.824 527 N CB 0.826 39.218 38.487 -0.157 0.000 1.395 527 N HN 0.559 nan 8.380 nan 0.000 0.526 528 W N -1.625 119.728 121.300 0.088 0.000 2.592 528 W HA 0.547 5.237 4.660 0.050 0.000 0.306 528 W C -0.938 175.693 176.519 0.187 0.000 0.991 528 W CA -0.337 57.095 57.345 0.146 0.000 1.430 528 W CB 0.338 29.853 29.460 0.091 0.000 1.017 528 W HN 0.396 nan 8.180 nan 0.000 0.557 529 A N 2.552 124.885 122.820 -0.812 0.000 2.409 529 A HA 0.602 4.951 4.320 0.048 0.000 0.300 529 A C -0.207 177.213 177.584 -0.274 0.000 1.273 529 A CA -0.295 51.274 52.037 -0.780 0.000 0.774 529 A CB 0.599 18.689 19.000 -1.517 0.000 1.144 529 A HN 0.038 nan 8.150 nan 0.000 0.472 530 S N 1.194 116.938 115.700 0.072 0.000 2.624 530 S HA 0.341 4.840 4.470 0.048 0.000 0.263 530 S C 0.275 174.934 174.600 0.099 0.000 1.287 530 S CA -0.530 57.757 58.200 0.145 0.000 0.990 530 S CB 0.902 64.271 63.200 0.282 0.000 0.950 530 S HN 0.712 nan 8.310 nan 0.000 0.561 531 K N 1.261 121.701 120.400 0.066 0.000 2.211 531 K HA 0.493 4.842 4.320 0.048 0.000 0.275 531 K C -1.640 174.983 176.600 0.039 0.000 1.024 531 K CA -0.401 55.901 56.287 0.023 0.000 0.887 531 K CB 0.503 32.997 32.500 -0.010 0.000 1.084 531 K HN 0.366 nan 8.250 nan 0.000 0.463 532 V N 3.886 123.812 119.914 0.020 0.000 2.531 532 V HA 0.249 4.397 4.120 0.048 0.000 0.301 532 V C -0.383 175.663 176.094 -0.080 0.000 1.034 532 V CA -0.894 61.402 62.300 -0.007 0.000 0.865 532 V CB 1.575 33.434 31.823 0.060 0.000 0.995 532 V HN 0.870 nan 8.190 nan 0.000 0.424 533 E N 2.797 122.932 120.200 -0.109 0.000 2.283 533 E HA 0.442 4.821 4.350 0.048 0.000 0.267 533 E C -0.469 176.015 176.600 -0.194 0.000 1.045 533 E CA -0.713 55.606 56.400 -0.135 0.000 0.884 533 E CB 1.145 30.769 29.700 -0.127 0.000 1.106 533 E HN 0.542 nan 8.360 nan 0.000 0.408 534 K N 1.945 122.226 120.400 -0.198 0.000 2.185 534 K HA 0.209 4.558 4.320 0.048 0.000 0.271 534 K C -0.577 175.901 176.600 -0.202 0.000 1.013 534 K CA -0.680 55.452 56.287 -0.258 0.000 0.943 534 K CB 0.579 32.977 32.500 -0.169 0.000 0.998 534 K HN 0.298 nan 8.250 nan 0.000 0.468 535 L N 2.854 123.964 121.223 -0.189 0.000 2.380 535 L HA 0.136 4.504 4.340 0.048 0.000 0.273 535 L C 0.652 177.427 176.870 -0.158 0.000 1.138 535 L CA 0.286 55.076 54.840 -0.084 0.000 0.832 535 L CB 0.316 42.417 42.059 0.070 0.000 1.124 535 L HN 0.807 nan 8.230 nan 0.000 0.454 536 T N -0.007 114.393 114.554 -0.257 0.000 2.928 536 T HA 0.262 4.641 4.350 0.048 0.000 0.284 536 T C 1.353 175.606 174.700 -0.745 0.000 1.008 536 T CA -0.900 60.920 62.100 -0.467 0.000 1.057 536 T CB 1.770 70.454 68.868 -0.308 0.000 1.018 536 T HN 0.340 nan 8.240 nan 0.000 0.493 537 L N 1.464 122.080 121.223 -1.012 0.000 2.283 537 L HA -0.113 4.256 4.340 0.048 0.000 0.217 537 L C 1.410 178.018 176.870 -0.437 0.000 1.104 537 L CA 2.052 56.301 54.840 -0.984 0.000 0.772 537 L CB -1.034 40.627 42.059 -0.663 0.000 0.899 537 L HN 0.926 nan 8.230 nan 0.000 0.439 538 D N -1.791 118.419 120.400 -0.316 0.000 2.722 538 D HA -0.020 4.649 4.640 0.048 0.000 0.239 538 D C 0.125 176.386 176.300 -0.065 0.000 1.249 538 D CA -0.183 53.722 54.000 -0.159 0.000 0.830 538 D CB -0.415 40.299 40.800 -0.142 0.000 1.025 538 D HN 0.396 nan 8.370 nan 0.000 0.486 539 N N -0.176 118.510 118.700 -0.024 0.000 2.480 539 N HA 0.344 5.113 4.740 0.048 0.000 0.289 539 N C 0.904 176.495 175.510 0.135 0.000 1.073 539 N CA -0.460 52.616 53.050 0.044 0.000 0.885 539 N CB 1.631 40.125 38.487 0.012 0.000 1.421 539 N HN -0.041 nan 8.380 nan 0.000 0.503 540 A N 3.091 125.988 122.820 0.129 0.000 2.023 540 A HA -0.263 4.086 4.320 0.048 0.000 0.223 540 A C 2.067 179.788 177.584 0.228 0.000 1.180 540 A CA 2.402 54.520 52.037 0.135 0.000 0.659 540 A CB -0.742 18.329 19.000 0.119 0.000 0.817 540 A HN 0.776 nan 8.150 nan 0.000 0.466 541 A N -1.481 121.513 122.820 0.290 0.000 1.930 541 A HA 0.046 4.395 4.320 0.048 0.000 0.217 541 A C 1.942 179.692 177.584 0.276 0.000 1.175 541 A CA 1.445 53.691 52.037 0.348 0.000 0.627 541 A CB -0.655 18.476 19.000 0.217 0.000 0.815 541 A HN 0.725 nan 8.150 nan 0.000 0.443 542 F N 1.575 121.565 119.950 0.067 0.000 2.063 542 F HA -0.136 4.401 4.527 0.017 0.000 0.298 542 F C -0.692 175.164 175.800 0.093 0.000 1.109 542 F CA 2.265 60.266 58.000 0.002 0.000 1.212 542 F CB -1.349 37.576 39.000 -0.124 0.000 0.973 542 F HN 0.160 nan 8.300 nan 0.000 0.480 543 P HA -0.185 nan 4.420 nan 0.000 0.215 543 P C 1.788 179.132 177.300 0.074 0.000 1.153 543 P CA 1.765 64.895 63.100 0.050 0.000 0.853 543 P CB -0.299 31.458 31.700 0.095 0.000 0.788 544 F N -1.085 118.823 119.950 -0.071 0.000 2.154 544 F HA -0.177 4.376 4.527 0.043 0.000 0.301 544 F C 2.127 177.944 175.800 0.028 0.000 1.087 544 F CA 1.367 59.338 58.000 -0.049 0.000 1.274 544 F CB -0.981 37.922 39.000 -0.162 0.000 1.009 544 F HN -0.116 nan 8.300 nan 0.000 0.485 545 L N -0.516 120.807 121.223 0.167 0.000 2.145 545 L HA 0.256 4.625 4.340 0.048 0.000 0.201 545 L C 2.134 178.994 176.870 -0.017 0.000 1.075 545 L CA 1.765 56.649 54.840 0.074 0.000 0.773 545 L CB -1.063 41.012 42.059 0.026 0.000 0.936 545 L HN -0.055 nan 8.230 nan 0.000 0.451 546 A N -2.140 120.568 122.820 -0.186 0.000 2.123 546 A HA -0.068 4.281 4.320 0.048 0.000 0.214 546 A C 1.908 179.631 177.584 0.230 0.000 1.152 546 A CA 1.230 53.203 52.037 -0.107 0.000 0.728 546 A CB -0.572 17.945 19.000 -0.806 0.000 0.814 546 A HN 0.654 nan 8.150 nan 0.000 0.464 547 Y N -1.168 119.169 120.300 0.061 0.000 2.664 547 Y HA 0.205 4.780 4.550 0.041 0.000 0.278 547 Y C 2.058 177.983 175.900 0.043 0.000 1.130 547 Y CA 1.123 59.256 58.100 0.055 0.000 1.260 547 Y CB 0.287 38.738 38.460 -0.015 0.000 1.369 547 Y HN 0.147 nan 8.280 nan 0.000 0.499 548 S N -0.191 115.488 115.700 -0.035 0.000 2.548 548 S HA 0.225 4.724 4.470 0.048 0.000 0.215 548 S C 1.261 175.941 174.600 0.133 0.000 0.976 548 S CA 0.595 58.738 58.200 -0.095 0.000 0.908 548 S CB -0.045 63.077 63.200 -0.130 0.000 0.781 548 S HN 0.805 nan 8.310 nan 0.000 0.519 549 G N 2.156 111.067 108.800 0.185 0.000 2.221 549 G HA2 -0.209 3.780 3.960 0.048 0.000 0.265 549 G HA3 -0.209 3.780 3.960 0.048 0.000 0.265 549 G C -0.162 174.909 174.900 0.286 0.000 1.041 549 G CA -0.176 45.093 45.100 0.281 0.000 0.807 549 G HN 0.413 nan 8.290 nan 0.000 0.502 550 I N 1.481 122.210 120.570 0.266 0.000 2.354 550 I HA 0.325 4.524 4.170 0.048 0.000 0.292 550 I C -1.747 174.543 176.117 0.287 0.000 0.989 550 I CA -3.181 58.304 61.300 0.309 0.000 1.188 550 I CB 1.161 39.410 38.000 0.414 0.000 1.342 550 I HN -0.063 nan 8.210 nan 0.000 0.457 551 P HA 0.220 nan 4.420 nan 0.000 0.268 551 P C -0.864 176.545 177.300 0.182 0.000 1.204 551 P CA -0.137 63.092 63.100 0.215 0.000 0.768 551 P CB 1.257 33.093 31.700 0.226 0.000 0.842 552 A N 3.252 126.144 122.820 0.120 0.000 2.455 552 A HA 0.558 4.907 4.320 0.048 0.000 0.300 552 A C -0.946 176.640 177.584 0.003 0.000 1.040 552 A CA -0.742 51.352 52.037 0.095 0.000 0.697 552 A CB 1.807 20.939 19.000 0.220 0.000 1.265 552 A HN 0.416 nan 8.150 nan 0.000 0.407 553 V N 1.277 121.172 119.914 -0.031 0.000 3.096 553 V HA 0.920 5.069 4.120 0.048 0.000 0.319 553 V C 0.079 176.139 176.094 -0.056 0.000 1.082 553 V CA 0.317 62.609 62.300 -0.014 0.000 1.022 553 V CB 2.160 34.029 31.823 0.077 0.000 1.103 553 V HN 1.567 nan 8.190 nan 0.000 0.455 554 S N 3.401 119.068 115.700 -0.055 0.000 2.441 554 S HA 0.354 4.853 4.470 0.048 0.000 0.187 554 S C -0.924 173.548 174.600 -0.215 0.000 0.917 554 S CA -0.701 57.376 58.200 -0.206 0.000 1.078 554 S CB -0.159 62.948 63.200 -0.156 0.000 1.379 554 S HN 0.909 nan 8.310 nan 0.000 0.399 555 F N 1.520 121.387 119.950 -0.138 0.000 2.368 555 F HA 0.903 5.459 4.527 0.048 0.000 0.315 555 F C 0.280 175.898 175.800 -0.303 0.000 1.145 555 F CA -1.313 56.489 58.000 -0.329 0.000 1.095 555 F CB 0.354 39.140 39.000 -0.357 0.000 1.286 555 F HN 0.458 nan 8.300 nan 0.000 0.530 556 C N 2.568 121.769 119.300 -0.166 0.000 2.832 556 C HA 0.432 4.921 4.460 0.048 0.000 0.383 556 C C -0.649 174.300 174.990 -0.069 0.000 1.046 556 C CA -1.090 57.893 59.018 -0.059 0.000 1.242 556 C CB -0.530 27.148 27.740 -0.105 0.000 1.693 556 C HN 0.830 nan 8.230 nan 0.000 0.497 557 F N 4.623 124.672 119.950 0.165 0.000 2.859 557 F HA 0.225 4.782 4.527 0.051 0.000 0.315 557 F C 1.702 177.560 175.800 0.096 0.000 1.207 557 F CA 0.019 58.132 58.000 0.189 0.000 1.370 557 F CB -0.340 38.746 39.000 0.144 0.000 1.314 557 F HN 0.675 nan 8.300 nan 0.000 0.555 558 C N 0.726 120.114 119.300 0.146 0.000 2.883 558 C HA 0.003 4.491 4.460 0.048 0.000 0.347 558 C C 0.772 175.828 174.990 0.110 0.000 1.361 558 C CA -0.053 59.019 59.018 0.091 0.000 2.102 558 C CB 0.063 27.806 27.740 0.006 0.000 2.496 558 C HN 0.433 nan 8.230 nan 0.000 0.758 559 E N -0.162 120.079 120.200 0.070 0.000 2.392 559 E HA 0.207 4.586 4.350 0.048 0.000 0.269 559 E C 0.096 176.705 176.600 0.015 0.000 0.924 559 E CA -0.439 55.995 56.400 0.057 0.000 0.784 559 E CB 1.162 30.893 29.700 0.053 0.000 1.292 559 E HN 0.517 nan 8.360 nan 0.000 0.447 560 D N -0.026 120.379 120.400 0.009 0.000 2.182 560 D HA -0.083 4.586 4.640 0.048 0.000 0.201 560 D C -0.028 176.247 176.300 -0.043 0.000 0.986 560 D CA 1.474 55.467 54.000 -0.012 0.000 0.847 560 D CB 0.206 41.003 40.800 -0.005 0.000 0.942 560 D HN 0.132 nan 8.370 nan 0.000 0.467 561 T N 1.020 115.539 114.554 -0.059 0.000 2.797 561 T HA 0.310 4.689 4.350 0.048 0.000 0.279 561 T C -0.824 173.805 174.700 -0.119 0.000 0.991 561 T CA -1.031 60.996 62.100 -0.121 0.000 0.979 561 T CB 1.486 70.263 68.868 -0.152 0.000 0.943 561 T HN 0.015 nan 8.240 nan 0.000 0.444 562 D N 1.081 121.385 120.400 -0.160 0.000 2.414 562 D HA 0.040 4.709 4.640 0.048 0.000 0.242 562 D C -0.159 176.117 176.300 -0.040 0.000 1.129 562 D CA -0.470 53.486 54.000 -0.074 0.000 0.885 562 D CB 0.218 40.980 40.800 -0.064 0.000 1.198 562 D HN 0.462 nan 8.370 nan 0.000 0.437 563 Y N 2.493 122.754 120.300 -0.066 0.000 2.895 563 Y HA -0.012 4.566 4.550 0.047 0.000 0.334 563 Y C -1.110 174.803 175.900 0.022 0.000 1.261 563 Y CA -0.887 57.173 58.100 -0.066 0.000 1.560 563 Y CB 0.678 39.128 38.460 -0.017 0.000 1.253 563 Y HN 0.386 nan 8.280 nan 0.000 0.582 564 P HA -0.169 nan 4.420 nan 0.000 0.215 564 P C 0.962 178.455 177.300 0.322 0.000 1.160 564 P CA 1.683 64.918 63.100 0.226 0.000 0.869 564 P CB -0.073 31.647 31.700 0.033 0.000 0.782 565 Y N -0.698 119.662 120.300 0.100 0.000 2.569 565 Y HA -0.131 4.448 4.550 0.048 0.000 0.293 565 Y C 2.504 178.628 175.900 0.372 0.000 1.144 565 Y CA -0.910 57.325 58.100 0.225 0.000 1.321 565 Y CB -0.834 37.758 38.460 0.221 0.000 0.982 565 Y HN -0.141 nan 8.280 nan 0.000 0.558 566 L N 0.753 122.340 121.223 0.606 0.000 2.013 566 L HA -0.268 4.101 4.340 0.048 0.000 0.239 566 L C 2.347 179.425 176.870 0.347 0.000 1.100 566 L CA 2.403 57.499 54.840 0.428 0.000 0.826 566 L CB -1.184 41.079 42.059 0.342 0.000 0.921 566 L HN 0.234 nan 8.230 nan 0.000 0.445 567 G N -2.391 106.595 108.800 0.309 0.000 3.279 567 G HA2 0.166 4.155 3.960 0.048 0.000 0.230 567 G HA3 0.166 4.155 3.960 0.048 0.000 0.230 567 G C 0.371 175.540 174.900 0.449 0.000 1.230 567 G CA 0.706 46.004 45.100 0.330 0.000 0.891 567 G HN 0.418 nan 8.290 nan 0.000 0.518 568 T N -1.746 113.093 114.554 0.474 0.000 2.907 568 T HA 0.381 4.760 4.350 0.048 0.000 0.290 568 T C 1.806 176.784 174.700 0.463 0.000 1.066 568 T CA 0.385 62.817 62.100 0.554 0.000 1.012 568 T CB 1.347 70.474 68.868 0.431 0.000 1.184 568 T HN 0.079 nan 8.240 nan 0.000 0.522 569 T N 0.750 115.544 114.554 0.400 0.000 3.118 569 T HA -0.038 4.340 4.350 0.048 0.000 0.269 569 T C 1.516 176.283 174.700 0.112 0.000 1.166 569 T CA 1.019 63.216 62.100 0.162 0.000 1.073 569 T CB -0.461 68.437 68.868 0.050 0.000 0.884 569 T HN 0.538 nan 8.240 nan 0.000 0.550 570 M N 0.921 120.600 119.600 0.132 0.000 2.428 570 M HA 0.178 4.687 4.480 0.048 0.000 0.239 570 M C 0.784 177.170 176.300 0.144 0.000 1.121 570 M CA 0.094 55.385 55.300 -0.014 0.000 1.019 570 M CB 0.230 32.643 32.600 -0.312 0.000 1.485 570 M HN -0.048 nan 8.290 nan 0.000 0.484 571 D N 2.087 122.661 120.400 0.290 0.000 2.948 571 D HA -0.018 4.651 4.640 0.048 0.000 0.241 571 D C -0.135 176.323 176.300 0.263 0.000 1.198 571 D CA 0.203 54.425 54.000 0.370 0.000 0.926 571 D CB -0.185 40.803 40.800 0.313 0.000 1.151 571 D HN 0.308 nan 8.370 nan 0.000 0.441 572 T N -2.597 112.094 114.554 0.229 0.000 2.904 572 T HA 0.037 4.416 4.350 0.048 0.000 0.290 572 T C 1.253 176.083 174.700 0.217 0.000 1.018 572 T CA -0.769 61.446 62.100 0.190 0.000 1.075 572 T CB 0.995 69.941 68.868 0.130 0.000 0.986 572 T HN 0.196 nan 8.240 nan 0.000 0.523 573 Y N 1.732 122.101 120.300 0.115 0.000 2.403 573 Y HA -0.012 4.566 4.550 0.048 0.000 0.291 573 Y C 2.135 178.104 175.900 0.115 0.000 1.143 573 Y CA 1.324 59.489 58.100 0.108 0.000 1.257 573 Y CB -0.226 38.283 38.460 0.080 0.000 0.984 573 Y HN 0.665 nan 8.280 nan 0.000 0.550 574 K N -0.036 120.397 120.400 0.054 0.000 1.974 574 K HA -0.125 4.224 4.320 0.048 0.000 0.211 574 K C 1.887 178.481 176.600 -0.009 0.000 1.039 574 K CA 1.232 57.512 56.287 -0.012 0.000 0.947 574 K CB -0.244 32.307 32.500 0.084 0.000 0.735 574 K HN 0.139 nan 8.250 nan 0.000 0.441 575 E N 1.282 121.536 120.200 0.090 0.000 2.339 575 E HA -0.208 4.171 4.350 0.048 0.000 0.201 575 E C 1.863 178.612 176.600 0.248 0.000 1.015 575 E CA 0.749 57.263 56.400 0.191 0.000 0.841 575 E CB -0.182 29.651 29.700 0.221 0.000 0.754 575 E HN 0.161 nan 8.360 nan 0.000 0.508 576 L N 0.415 121.750 121.223 0.187 0.000 1.982 576 L HA 0.006 4.375 4.340 0.048 0.000 0.206 576 L C 2.295 179.182 176.870 0.028 0.000 1.078 576 L CA 1.294 56.253 54.840 0.199 0.000 0.749 576 L CB -0.607 41.518 42.059 0.110 0.000 0.894 576 L HN 0.061 nan 8.230 nan 0.000 0.436 577 I N -0.524 119.941 120.570 -0.176 0.000 2.657 577 I HA -0.280 3.919 4.170 0.048 0.000 0.261 577 I C 2.262 178.334 176.117 -0.075 0.000 1.212 577 I CA 1.344 62.531 61.300 -0.188 0.000 1.453 577 I CB -0.099 37.650 38.000 -0.418 0.000 1.092 577 I HN 0.573 nan 8.210 nan 0.000 0.452 578 E N 0.634 120.814 120.200 -0.033 0.000 2.285 578 E HA -0.136 4.243 4.350 0.048 0.000 0.194 578 E C 1.706 178.319 176.600 0.023 0.000 0.997 578 E CA 0.442 56.847 56.400 0.008 0.000 0.845 578 E CB 0.211 29.933 29.700 0.038 0.000 0.782 578 E HN 0.481 nan 8.360 nan 0.000 0.491 579 R N -0.245 120.275 120.500 0.033 0.000 2.432 579 R HA 0.313 4.682 4.340 0.048 0.000 0.260 579 R C 0.537 176.858 176.300 0.034 0.000 0.935 579 R CA 0.044 56.157 56.100 0.022 0.000 1.080 579 R CB 0.842 31.133 30.300 -0.016 0.000 1.155 579 R HN 0.077 nan 8.270 nan 0.000 0.531 580 I N 0.073 120.660 120.570 0.028 0.000 2.719 580 I HA 0.158 4.357 4.170 0.048 0.000 0.319 580 I C -2.310 173.810 176.117 0.004 0.000 1.522 580 I CA -1.711 59.605 61.300 0.027 0.000 0.785 580 I CB 1.228 39.260 38.000 0.053 0.000 2.022 580 I HN -0.142 nan 8.210 nan 0.000 0.579 581 P HA -0.278 nan 4.420 nan 0.000 0.232 581 P C 0.639 177.937 177.300 -0.003 0.000 1.135 581 P CA 1.846 64.943 63.100 -0.005 0.000 0.969 581 P CB -0.005 31.695 31.700 -0.001 0.000 0.777 582 E N -0.487 119.709 120.200 -0.006 0.000 2.349 582 E HA 0.042 4.421 4.350 0.048 0.000 0.201 582 E C 1.410 178.002 176.600 -0.012 0.000 1.087 582 E CA -0.322 56.071 56.400 -0.012 0.000 1.128 582 E CB -0.853 28.832 29.700 -0.024 0.000 1.188 582 E HN 0.172 nan 8.360 nan 0.000 0.445 583 L N 1.416 122.642 121.223 0.004 0.000 2.151 583 L HA -0.312 4.056 4.340 0.048 0.000 0.215 583 L C 1.776 178.678 176.870 0.052 0.000 1.084 583 L CA 2.253 57.106 54.840 0.021 0.000 0.764 583 L CB -0.856 41.225 42.059 0.036 0.000 0.891 583 L HN 0.214 nan 8.230 nan 0.000 0.435 584 N N -0.775 117.958 118.700 0.056 0.000 2.039 584 N HA -0.200 4.569 4.740 0.048 0.000 0.193 584 N C 1.834 177.353 175.510 0.015 0.000 1.044 584 N CA 1.465 54.553 53.050 0.063 0.000 0.847 584 N CB -0.088 38.406 38.487 0.011 0.000 1.030 584 N HN 0.162 nan 8.380 nan 0.000 0.422 585 K N 0.303 120.678 120.400 -0.042 0.000 2.044 585 K HA -0.098 4.251 4.320 0.048 0.000 0.210 585 K C 2.030 178.563 176.600 -0.113 0.000 1.049 585 K CA 0.932 57.171 56.287 -0.080 0.000 0.927 585 K CB -0.860 31.591 32.500 -0.082 0.000 0.713 585 K HN 0.136 nan 8.250 nan 0.000 0.443 586 V N 1.452 121.272 119.914 -0.157 0.000 2.233 586 V HA -0.279 3.870 4.120 0.048 0.000 0.247 586 V C 2.525 178.482 176.094 -0.228 0.000 1.050 586 V CA 2.175 64.257 62.300 -0.363 0.000 1.010 586 V CB -1.034 30.598 31.823 -0.318 0.000 0.637 586 V HN 0.327 nan 8.190 nan 0.000 0.444 587 A N 0.351 123.178 122.820 0.011 0.000 1.948 587 A HA -0.301 4.048 4.320 0.048 0.000 0.220 587 A C 2.412 180.194 177.584 0.330 0.000 1.177 587 A CA 2.236 54.372 52.037 0.165 0.000 0.636 587 A CB -0.673 18.481 19.000 0.256 0.000 0.815 587 A HN 0.451 nan 8.150 nan 0.000 0.449 588 R N 0.200 120.939 120.500 0.399 0.000 2.080 588 R HA -0.155 4.213 4.340 0.048 0.000 0.236 588 R C 2.257 178.676 176.300 0.198 0.000 1.137 588 R CA 2.038 58.375 56.100 0.395 0.000 0.943 588 R CB -1.005 29.287 30.300 -0.013 0.000 0.846 588 R HN 0.421 nan 8.270 nan 0.000 0.431 589 A N 1.087 123.927 122.820 0.033 0.000 1.859 589 A HA -0.149 4.199 4.320 0.048 0.000 0.217 589 A C 2.531 180.186 177.584 0.118 0.000 1.198 589 A CA 2.527 54.579 52.037 0.025 0.000 0.629 589 A CB -1.135 17.831 19.000 -0.058 0.000 0.830 589 A HN 0.574 nan 8.150 nan 0.000 0.446 590 A N -0.253 122.736 122.820 0.282 0.000 1.903 590 A HA 0.023 4.372 4.320 0.048 0.000 0.219 590 A C 2.485 180.142 177.584 0.121 0.000 1.191 590 A CA 2.625 54.829 52.037 0.278 0.000 0.638 590 A CB -1.132 18.188 19.000 0.533 0.000 0.823 590 A HN 1.298 nan 8.150 nan 0.000 0.451 591 A N -0.931 121.980 122.820 0.151 0.000 2.121 591 A HA -0.083 4.266 4.320 0.048 0.000 0.218 591 A C 1.936 179.585 177.584 0.109 0.000 1.154 591 A CA 1.742 53.853 52.037 0.123 0.000 0.679 591 A CB -0.385 18.684 19.000 0.116 0.000 0.795 591 A HN 0.741 nan 8.150 nan 0.000 0.458 592 E N 0.030 120.256 120.200 0.044 0.000 2.060 592 E HA -0.094 4.285 4.350 0.048 0.000 0.189 592 E C 1.970 178.510 176.600 -0.100 0.000 0.974 592 E CA 1.278 57.673 56.400 -0.007 0.000 0.808 592 E CB -0.142 29.542 29.700 -0.027 0.000 0.768 592 E HN 0.452 nan 8.360 nan 0.000 0.453 593 V N -0.484 119.250 119.914 -0.299 0.000 2.407 593 V HA -0.122 4.027 4.120 0.048 0.000 0.248 593 V C 2.314 177.942 176.094 -0.777 0.000 1.055 593 V CA 1.702 63.655 62.300 -0.579 0.000 1.049 593 V CB -1.022 30.256 31.823 -0.908 0.000 0.662 593 V HN 0.324 nan 8.190 nan 0.000 0.455 594 A N 1.351 123.918 122.820 -0.421 0.000 1.902 594 A HA 0.078 4.427 4.320 0.048 0.000 0.217 594 A C 2.401 180.031 177.584 0.077 0.000 1.181 594 A CA 1.980 53.983 52.037 -0.057 0.000 0.623 594 A CB -1.516 17.646 19.000 0.270 0.000 0.818 594 A HN 0.708 nan 8.150 nan 0.000 0.443 595 G N -0.912 107.990 108.800 0.170 0.000 2.433 595 G HA2 -0.249 3.740 3.960 0.048 0.000 0.216 595 G HA3 -0.249 3.740 3.960 0.048 0.000 0.216 595 G C 1.609 176.773 174.900 0.440 0.000 1.186 595 G CA 0.983 46.341 45.100 0.430 0.000 0.779 595 G HN 0.601 nan 8.290 nan 0.000 0.543 596 Q N -0.712 119.274 119.800 0.309 0.000 2.096 596 Q HA -0.123 4.246 4.340 0.048 0.000 0.204 596 Q C 2.435 178.740 176.000 0.509 0.000 0.982 596 Q CA 1.106 57.190 55.803 0.468 0.000 0.850 596 Q CB -0.281 28.747 28.738 0.485 0.000 0.901 596 Q HN 0.437 nan 8.270 nan 0.000 0.422 597 F N 0.172 120.238 119.950 0.194 0.000 2.065 597 F HA -0.252 4.304 4.527 0.048 0.000 0.298 597 F C 2.397 178.278 175.800 0.134 0.000 1.112 597 F CA 0.875 58.953 58.000 0.130 0.000 1.212 597 F CB -1.246 37.823 39.000 0.115 0.000 0.975 597 F HN -0.101 nan 8.300 nan 0.000 0.476 598 V N 0.593 120.705 119.914 0.329 0.000 2.261 598 V HA -0.307 3.842 4.120 0.048 0.000 0.246 598 V C 2.485 178.750 176.094 0.285 0.000 1.047 598 V CA 1.915 64.295 62.300 0.135 0.000 1.015 598 V CB -0.771 30.902 31.823 -0.249 0.000 0.642 598 V HN 0.252 nan 8.190 nan 0.000 0.446 599 I N -0.527 120.314 120.570 0.452 0.000 2.118 599 I HA -0.256 3.943 4.170 0.048 0.000 0.241 599 I C 2.718 179.125 176.117 0.483 0.000 1.070 599 I CA 1.532 63.150 61.300 0.530 0.000 1.327 599 I CB -0.579 37.704 38.000 0.470 0.000 1.034 599 I HN 0.239 nan 8.210 nan 0.000 0.405 600 K N 0.978 121.612 120.400 0.390 0.000 2.032 600 K HA -0.114 4.235 4.320 0.048 0.000 0.209 600 K C 1.999 178.704 176.600 0.176 0.000 1.048 600 K CA 1.485 57.891 56.287 0.198 0.000 0.927 600 K CB -0.699 31.816 32.500 0.025 0.000 0.712 600 K HN 0.367 nan 8.250 nan 0.000 0.441 601 L N 1.050 122.402 121.223 0.216 0.000 2.633 601 L HA -0.097 4.272 4.340 0.048 0.000 0.235 601 L C 1.402 178.452 176.870 0.299 0.000 1.163 601 L CA 0.763 55.758 54.840 0.258 0.000 0.859 601 L CB -0.295 41.990 42.059 0.377 0.000 0.973 601 L HN 0.216 nan 8.230 nan 0.000 0.451 602 T N -4.236 110.493 114.554 0.292 0.000 3.115 602 T HA -0.052 4.327 4.350 0.048 0.000 0.256 602 T C 1.606 176.473 174.700 0.278 0.000 0.970 602 T CA 0.045 62.315 62.100 0.283 0.000 1.010 602 T CB -0.156 68.902 68.868 0.316 0.000 1.151 602 T HN 0.354 nan 8.240 nan 0.000 0.479 603 H N 2.306 121.556 119.070 0.301 0.000 2.278 603 H HA -0.152 4.433 4.556 0.048 0.000 0.287 603 H C -0.407 175.012 175.328 0.151 0.000 1.107 603 H CA 1.948 58.167 56.048 0.285 0.000 1.192 603 H CB -0.270 29.671 29.762 0.299 0.000 1.346 603 H HN 0.349 nan 8.280 nan 0.000 0.478 604 D N -0.318 119.857 120.400 -0.375 0.000 2.340 604 D HA 0.123 4.792 4.640 0.048 0.000 0.251 604 D C 1.095 177.304 176.300 -0.151 0.000 1.080 604 D CA 0.171 53.926 54.000 -0.407 0.000 0.971 604 D CB 2.352 42.852 40.800 -0.500 0.000 1.137 604 D HN 0.113 nan 8.370 nan 0.000 0.475 605 V N 0.145 119.994 119.914 -0.109 0.000 2.667 605 V HA -0.086 4.063 4.120 0.048 0.000 0.252 605 V C -0.136 175.931 176.094 -0.045 0.000 1.065 605 V CA 1.342 63.615 62.300 -0.044 0.000 1.083 605 V CB -0.422 31.396 31.823 -0.009 0.000 0.692 605 V HN 0.465 nan 8.190 nan 0.000 0.468 606 E N 1.647 121.787 120.200 -0.100 0.000 2.229 606 E HA 0.312 4.691 4.350 0.048 0.000 0.283 606 E C -0.270 176.222 176.600 -0.181 0.000 1.030 606 E CA -0.377 55.939 56.400 -0.139 0.000 0.836 606 E CB 0.910 30.438 29.700 -0.287 0.000 1.068 606 E HN 0.143 nan 8.360 nan 0.000 0.401 607 L N 4.026 125.162 121.223 -0.145 0.000 2.485 607 L HA 0.104 4.473 4.340 0.048 0.000 0.279 607 L C -0.683 176.080 176.870 -0.178 0.000 1.124 607 L CA 0.136 54.847 54.840 -0.216 0.000 0.888 607 L CB -0.343 41.584 42.059 -0.220 0.000 1.217 607 L HN 0.505 nan 8.230 nan 0.000 0.464 608 N N 7.259 125.856 118.700 -0.173 0.000 2.739 608 N HA 0.244 5.013 4.740 0.048 0.000 0.266 608 N C -0.603 174.862 175.510 -0.074 0.000 1.168 608 N CA 0.090 53.053 53.050 -0.145 0.000 1.055 608 N CB 0.521 38.915 38.487 -0.154 0.000 1.393 608 N HN 0.563 nan 8.380 nan 0.000 0.514 609 L N 0.737 121.952 121.223 -0.013 0.000 2.386 609 L HA 0.324 4.693 4.340 0.048 0.000 0.271 609 L C -0.192 176.687 176.870 0.015 0.000 0.993 609 L CA -0.926 53.947 54.840 0.053 0.000 0.819 609 L CB 2.070 44.224 42.059 0.158 0.000 1.294 609 L HN 0.092 nan 8.230 nan 0.000 0.414 610 D N 1.685 122.075 120.400 -0.017 0.000 2.600 610 D HA 0.027 4.696 4.640 0.048 0.000 0.226 610 D C 0.806 177.092 176.300 -0.024 0.000 1.119 610 D CA 0.101 54.036 54.000 -0.108 0.000 1.051 610 D CB -0.034 40.742 40.800 -0.040 0.000 1.106 610 D HN 0.366 nan 8.370 nan 0.000 0.491 611 Y N -0.593 119.797 120.300 0.151 0.000 2.639 611 Y HA 0.028 4.606 4.550 0.046 0.000 0.297 611 Y C 1.318 177.355 175.900 0.229 0.000 1.151 611 Y CA 0.248 58.494 58.100 0.243 0.000 1.335 611 Y CB -0.554 38.022 38.460 0.193 0.000 0.994 611 Y HN 0.152 nan 8.280 nan 0.000 0.548 612 E N 0.930 121.052 120.200 -0.130 0.000 2.051 612 E HA -0.133 4.246 4.350 0.048 0.000 0.189 612 E C 1.786 178.397 176.600 0.018 0.000 0.979 612 E CA 0.871 57.231 56.400 -0.067 0.000 0.803 612 E CB -0.182 29.401 29.700 -0.195 0.000 0.761 612 E HN 0.465 nan 8.360 nan 0.000 0.451 613 E N 0.456 120.637 120.200 -0.031 0.000 2.352 613 E HA -0.227 4.152 4.350 0.048 0.000 0.203 613 E C 1.550 178.063 176.600 -0.145 0.000 1.024 613 E CA 1.124 57.469 56.400 -0.092 0.000 0.842 613 E CB -0.250 29.365 29.700 -0.141 0.000 0.753 613 E HN 0.475 nan 8.360 nan 0.000 0.508 614 Y N 0.741 121.053 120.300 0.021 0.000 2.457 614 Y HA -0.034 4.538 4.550 0.038 0.000 0.292 614 Y C 2.184 178.098 175.900 0.023 0.000 1.125 614 Y CA 0.458 58.513 58.100 -0.075 0.000 1.254 614 Y CB 0.145 38.578 38.460 -0.045 0.000 1.012 614 Y HN 0.029 nan 8.280 nan 0.000 0.555 615 N N -0.550 118.294 118.700 0.240 0.000 2.106 615 N HA -0.153 4.616 4.740 0.048 0.000 0.188 615 N C 1.910 177.537 175.510 0.195 0.000 1.029 615 N CA 1.615 54.800 53.050 0.226 0.000 0.848 615 N CB -0.309 38.160 38.487 -0.030 0.000 1.007 615 N HN 0.207 nan 8.380 nan 0.000 0.423 616 S N 1.294 117.061 115.700 0.111 0.000 2.348 616 S HA -0.104 4.395 4.470 0.048 0.000 0.221 616 S C 1.837 176.494 174.600 0.096 0.000 1.033 616 S CA 0.891 59.149 58.200 0.097 0.000 1.010 616 S CB -0.294 62.926 63.200 0.033 0.000 0.891 616 S HN 0.308 nan 8.310 nan 0.000 0.442 617 Q N 0.377 120.192 119.800 0.026 0.000 2.152 617 Q HA -0.082 4.287 4.340 0.048 0.000 0.206 617 Q C 2.145 178.313 176.000 0.280 0.000 0.985 617 Q CA 1.031 56.880 55.803 0.077 0.000 0.863 617 Q CB -0.588 28.010 28.738 -0.232 0.000 0.904 617 Q HN 0.359 nan 8.270 nan 0.000 0.422 618 L N 0.066 121.441 121.223 0.255 0.000 2.131 618 L HA -0.032 4.337 4.340 0.048 0.000 0.206 618 L C 2.184 179.207 176.870 0.254 0.000 1.087 618 L CA 1.032 56.053 54.840 0.302 0.000 0.767 618 L CB -0.777 41.427 42.059 0.241 0.000 0.917 618 L HN 0.232 nan 8.230 nan 0.000 0.441 619 L N -1.758 119.590 121.223 0.210 0.000 2.056 619 L HA -0.174 4.194 4.340 0.048 0.000 0.207 619 L C 2.588 179.528 176.870 0.115 0.000 1.078 619 L CA 1.789 56.723 54.840 0.155 0.000 0.749 619 L CB -0.503 41.657 42.059 0.169 0.000 0.901 619 L HN 0.293 nan 8.230 nan 0.000 0.433 620 S N -0.567 115.215 115.700 0.136 0.000 2.374 620 S HA -0.297 4.202 4.470 0.048 0.000 0.227 620 S C 1.916 176.586 174.600 0.118 0.000 1.037 620 S CA 1.864 60.133 58.200 0.115 0.000 1.024 620 S CB -0.721 62.554 63.200 0.125 0.000 0.861 620 S HN 0.621 nan 8.310 nan 0.000 0.456 621 F N 2.531 122.475 119.950 -0.010 0.000 2.046 621 F HA -0.107 4.451 4.527 0.051 0.000 0.297 621 F C 2.144 177.908 175.800 -0.060 0.000 1.123 621 F CA 1.896 59.855 58.000 -0.068 0.000 1.199 621 F CB -1.127 37.778 39.000 -0.158 0.000 0.972 621 F HN 0.077 nan 8.300 nan 0.000 0.474 622 V N 1.666 121.399 119.914 -0.301 0.000 2.278 622 V HA -0.377 3.772 4.120 0.048 0.000 0.251 622 V C 2.723 178.629 176.094 -0.313 0.000 1.062 622 V CA 2.231 64.251 62.300 -0.466 0.000 1.038 622 V CB -0.917 30.724 31.823 -0.303 0.000 0.646 622 V HN 0.301 nan 8.190 nan 0.000 0.447 623 R N 0.106 120.523 120.500 -0.138 0.000 2.096 623 R HA -0.186 4.182 4.340 0.048 0.000 0.229 623 R C 2.176 178.440 176.300 -0.061 0.000 1.134 623 R CA 1.962 58.025 56.100 -0.060 0.000 0.917 623 R CB -1.459 28.841 30.300 -0.001 0.000 0.832 623 R HN 0.552 nan 8.270 nan 0.000 0.430 624 D N 0.832 121.211 120.400 -0.035 0.000 2.203 624 D HA -0.179 4.490 4.640 0.048 0.000 0.199 624 D C 1.819 178.170 176.300 0.086 0.000 0.997 624 D CA 0.842 54.865 54.000 0.038 0.000 0.863 624 D CB -0.048 40.797 40.800 0.075 0.000 0.928 624 D HN 0.064 nan 8.370 nan 0.000 0.458 625 L N 0.705 121.845 121.223 -0.139 0.000 2.156 625 L HA -0.002 4.367 4.340 0.048 0.000 0.208 625 L C 1.567 178.482 176.870 0.076 0.000 1.095 625 L CA 1.343 56.112 54.840 -0.118 0.000 0.770 625 L CB -0.690 41.032 42.059 -0.562 0.000 0.914 625 L HN -0.069 nan 8.230 nan 0.000 0.439 626 N N -0.150 118.544 118.700 -0.010 0.000 2.520 626 N HA -0.138 4.631 4.740 0.048 0.000 0.185 626 N C 1.444 176.955 175.510 0.001 0.000 1.068 626 N CA 0.632 53.700 53.050 0.029 0.000 0.911 626 N CB -0.098 38.404 38.487 0.026 0.000 0.961 626 N HN 0.610 nan 8.380 nan 0.000 0.446 627 Q N -0.729 119.045 119.800 -0.044 0.000 2.488 627 Q HA -0.052 4.317 4.340 0.048 0.000 0.211 627 Q C 0.158 175.835 176.000 -0.539 0.000 0.967 627 Q CA 0.720 56.344 55.803 -0.298 0.000 0.926 627 Q CB 0.091 28.580 28.738 -0.416 0.000 0.992 627 Q HN 0.534 nan 8.270 nan 0.000 0.506 628 Y N -1.474 118.790 120.300 -0.060 0.000 2.660 628 Y HA 0.264 4.845 4.550 0.052 0.000 0.254 628 Y C 1.527 177.394 175.900 -0.056 0.000 1.176 628 Y CA -0.582 57.471 58.100 -0.078 0.000 1.195 628 Y CB 0.207 38.601 38.460 -0.110 0.000 1.190 628 Y HN -0.071 nan 8.280 nan 0.000 0.535 629 R N 0.793 121.332 120.500 0.064 0.000 2.211 629 R HA -0.207 4.162 4.340 0.048 0.000 0.240 629 R C 2.096 178.417 176.300 0.036 0.000 1.144 629 R CA 1.204 57.342 56.100 0.063 0.000 0.992 629 R CB -0.015 30.312 30.300 0.045 0.000 0.869 629 R HN 0.456 nan 8.270 nan 0.000 0.462 630 A N 0.930 123.752 122.820 0.002 0.000 1.841 630 A HA -0.168 4.181 4.320 0.048 0.000 0.214 630 A C 1.683 179.260 177.584 -0.012 0.000 1.195 630 A CA 1.649 53.678 52.037 -0.014 0.000 0.611 630 A CB -0.458 18.517 19.000 -0.042 0.000 0.835 630 A HN 0.293 nan 8.150 nan 0.000 0.443 631 D N 0.174 120.560 120.400 -0.024 0.000 2.104 631 D HA -0.137 4.532 4.640 0.048 0.000 0.194 631 D C 1.912 178.188 176.300 -0.040 0.000 0.994 631 D CA 1.229 55.183 54.000 -0.076 0.000 0.830 631 D CB -0.295 40.411 40.800 -0.156 0.000 0.959 631 D HN 0.298 nan 8.370 nan 0.000 0.452 632 I N 1.157 121.739 120.570 0.020 0.000 2.399 632 I HA -0.212 3.987 4.170 0.048 0.000 0.254 632 I C 2.273 178.445 176.117 0.092 0.000 1.146 632 I CA 1.044 62.402 61.300 0.096 0.000 1.412 632 I CB -0.701 37.389 38.000 0.150 0.000 1.076 632 I HN -0.043 nan 8.210 nan 0.000 0.432 633 K N 1.064 121.497 120.400 0.056 0.000 2.098 633 K HA -0.067 4.281 4.320 0.048 0.000 0.203 633 K C 1.885 178.510 176.600 0.041 0.000 1.051 633 K CA 0.823 57.140 56.287 0.050 0.000 0.957 633 K CB 0.005 32.524 32.500 0.031 0.000 0.738 633 K HN 0.344 nan 8.250 nan 0.000 0.447 634 E N 0.150 120.363 120.200 0.022 0.000 2.130 634 E HA -0.135 4.244 4.350 0.048 0.000 0.196 634 E C 0.462 177.088 176.600 0.043 0.000 0.998 634 E CA 0.864 57.275 56.400 0.019 0.000 0.806 634 E CB -0.016 29.681 29.700 -0.005 0.000 0.738 634 E HN 0.261 nan 8.360 nan 0.000 0.459 635 M N -0.350 119.287 119.600 0.061 0.000 2.274 635 M HA 0.139 4.648 4.480 0.048 0.000 0.344 635 M C 1.352 177.717 176.300 0.108 0.000 1.161 635 M CA -0.132 55.229 55.300 0.102 0.000 1.126 635 M CB 1.214 33.904 32.600 0.152 0.000 1.522 635 M HN -0.000 nan 8.290 nan 0.000 0.461 636 G N 2.808 111.673 108.800 0.108 0.000 2.564 636 G HA2 -0.009 3.980 3.960 0.048 0.000 0.216 636 G HA3 -0.009 3.980 3.960 0.048 0.000 0.216 636 G C 0.612 175.594 174.900 0.137 0.000 1.124 636 G CA -0.024 45.139 45.100 0.106 0.000 0.764 636 G HN 0.590 nan 8.290 nan 0.000 0.550 637 L N 1.145 122.467 121.223 0.166 0.000 2.615 637 L HA -0.027 4.342 4.340 0.048 0.000 0.284 637 L C 1.841 178.834 176.870 0.204 0.000 1.237 637 L CA -0.027 54.936 54.840 0.204 0.000 0.905 637 L CB 0.744 42.955 42.059 0.252 0.000 1.149 637 L HN 0.169 nan 8.230 nan 0.000 0.499 638 S N 3.410 119.267 115.700 0.261 0.000 2.486 638 S HA -0.011 4.488 4.470 0.048 0.000 0.220 638 S C 1.399 176.138 174.600 0.231 0.000 1.011 638 S CA 0.255 58.589 58.200 0.224 0.000 0.921 638 S CB -0.164 63.183 63.200 0.245 0.000 0.785 638 S HN 0.637 nan 8.310 nan 0.000 0.517 639 L N 0.943 122.350 121.223 0.307 0.000 4.269 639 L HA -0.302 4.067 4.340 0.048 0.000 0.431 639 L C 1.159 178.265 176.870 0.393 0.000 1.139 639 L CA 1.560 56.588 54.840 0.314 0.000 0.982 639 L CB -1.055 41.176 42.059 0.287 0.000 1.915 639 L HN 0.502 nan 8.230 nan 0.000 1.015 640 Q N -0.889 119.076 119.800 0.274 0.000 2.163 640 Q HA -0.098 4.271 4.340 0.048 0.000 0.198 640 Q C 1.708 177.790 176.000 0.137 0.000 0.954 640 Q CA 1.928 57.800 55.803 0.115 0.000 0.851 640 Q CB -0.231 28.437 28.738 -0.117 0.000 0.928 640 Q HN 0.688 nan 8.270 nan 0.000 0.459 641 W N 0.163 121.567 121.300 0.173 0.000 2.374 641 W HA -0.138 4.550 4.660 0.046 0.000 0.288 641 W C 1.730 178.177 176.519 -0.121 0.000 1.218 641 W CA 0.799 58.142 57.345 -0.003 0.000 1.245 641 W CB -0.363 29.046 29.460 -0.086 0.000 1.126 641 W HN 0.338 nan 8.180 nan 0.000 0.545 642 L N -0.155 121.177 121.223 0.183 0.000 2.027 642 L HA -0.203 4.166 4.340 0.048 0.000 0.206 642 L C 2.184 179.068 176.870 0.024 0.000 1.074 642 L CA 1.952 56.820 54.840 0.047 0.000 0.745 642 L CB -1.472 40.589 42.059 0.004 0.000 0.898 642 L HN -0.131 nan 8.230 nan 0.000 0.433 643 Y N -0.147 120.141 120.300 -0.021 0.000 2.128 643 Y HA -0.231 4.352 4.550 0.054 0.000 0.284 643 Y C 2.791 178.644 175.900 -0.078 0.000 1.154 643 Y CA 1.695 59.773 58.100 -0.035 0.000 1.149 643 Y CB -1.166 37.259 38.460 -0.058 0.000 0.976 643 Y HN 0.204 nan 8.280 nan 0.000 0.505 644 S N 0.027 115.714 115.700 -0.020 0.000 2.365 644 S HA -0.308 4.191 4.470 0.048 0.000 0.225 644 S C 2.364 176.923 174.600 -0.069 0.000 1.039 644 S CA 1.245 59.320 58.200 -0.209 0.000 1.033 644 S CB -0.891 61.941 63.200 -0.614 0.000 0.887 644 S HN 0.542 nan 8.310 nan 0.000 0.447 645 A N 2.283 125.083 122.820 -0.034 0.000 1.845 645 A HA -0.177 4.172 4.320 0.048 0.000 0.215 645 A C 2.056 179.724 177.584 0.141 0.000 1.195 645 A CA 2.147 54.206 52.037 0.037 0.000 0.616 645 A CB -0.786 18.207 19.000 -0.011 0.000 0.832 645 A HN 0.458 nan 8.150 nan 0.000 0.443 646 R N 0.027 120.606 120.500 0.132 0.000 2.133 646 R HA -0.119 4.249 4.340 0.048 0.000 0.247 646 R C 1.946 178.433 176.300 0.311 0.000 1.151 646 R CA 2.463 58.692 56.100 0.215 0.000 0.971 646 R CB -1.151 29.233 30.300 0.141 0.000 0.866 646 R HN 0.393 nan 8.270 nan 0.000 0.447 647 G N -0.568 108.356 108.800 0.206 0.000 2.408 647 G HA2 -0.179 3.810 3.960 0.048 0.000 0.213 647 G HA3 -0.179 3.810 3.960 0.048 0.000 0.213 647 G C 0.956 175.981 174.900 0.209 0.000 1.177 647 G CA 0.577 45.791 45.100 0.191 0.000 0.802 647 G HN 0.371 nan 8.290 nan 0.000 0.533 648 D N -0.502 119.985 120.400 0.145 0.000 2.228 648 D HA -0.110 4.559 4.640 0.048 0.000 0.203 648 D C 1.771 178.177 176.300 0.176 0.000 0.988 648 D CA 0.567 54.642 54.000 0.125 0.000 0.864 648 D CB -0.132 40.724 40.800 0.093 0.000 0.928 648 D HN 0.294 nan 8.370 nan 0.000 0.469 649 F N -0.835 119.188 119.950 0.121 0.000 2.219 649 F HA 0.025 4.587 4.527 0.057 0.000 0.294 649 F C 1.872 177.777 175.800 0.175 0.000 1.086 649 F CA 0.563 58.635 58.000 0.121 0.000 1.330 649 F CB -0.346 38.742 39.000 0.148 0.000 1.047 649 F HN -0.092 nan 8.300 nan 0.000 0.495 650 F N 1.337 121.413 119.950 0.209 0.000 2.065 650 F HA -0.258 4.297 4.527 0.047 0.000 0.298 650 F C 2.614 178.415 175.800 0.001 0.000 1.112 650 F CA 1.967 60.047 58.000 0.133 0.000 1.212 650 F CB -0.349 38.747 39.000 0.160 0.000 0.975 650 F HN -0.195 nan 8.300 nan 0.000 0.476 651 R N 0.096 120.778 120.500 0.303 0.000 2.094 651 R HA -0.236 4.133 4.340 0.048 0.000 0.239 651 R C 2.438 178.744 176.300 0.011 0.000 1.137 651 R CA 1.353 57.550 56.100 0.162 0.000 0.943 651 R CB -1.108 29.252 30.300 0.099 0.000 0.850 651 R HN 0.423 nan 8.270 nan 0.000 0.433 652 A N 0.907 123.668 122.820 -0.099 0.000 1.915 652 A HA -0.286 4.063 4.320 0.048 0.000 0.220 652 A C 2.342 179.761 177.584 -0.276 0.000 1.198 652 A CA 2.680 54.578 52.037 -0.231 0.000 0.647 652 A CB -1.308 17.463 19.000 -0.381 0.000 0.825 652 A HN 0.617 nan 8.150 nan 0.000 0.456 653 T N -3.382 110.969 114.554 -0.340 0.000 2.867 653 T HA -0.113 4.266 4.350 0.048 0.000 0.268 653 T C 2.017 176.713 174.700 -0.007 0.000 1.057 653 T CA 1.933 63.916 62.100 -0.195 0.000 1.136 653 T CB -0.594 68.180 68.868 -0.157 0.000 0.874 653 T HN 0.458 nan 8.240 nan 0.000 0.466 654 S N 0.752 116.452 115.700 0.001 0.000 2.402 654 S HA -0.042 4.457 4.470 0.048 0.000 0.229 654 S C 2.301 176.936 174.600 0.058 0.000 1.021 654 S CA 0.520 58.770 58.200 0.083 0.000 0.974 654 S CB -0.368 62.933 63.200 0.168 0.000 0.800 654 S HN 0.569 nan 8.310 nan 0.000 0.484 655 R N 0.038 120.538 120.500 -0.000 0.000 2.055 655 R HA 0.035 4.404 4.340 0.048 0.000 0.228 655 R C 2.369 178.639 176.300 -0.050 0.000 1.143 655 R CA 1.379 57.463 56.100 -0.026 0.000 0.945 655 R CB -0.896 29.366 30.300 -0.063 0.000 0.841 655 R HN 0.409 nan 8.270 nan 0.000 0.429 656 L N 1.002 122.152 121.223 -0.121 0.000 1.997 656 L HA -0.223 4.146 4.340 0.048 0.000 0.216 656 L C 2.276 179.180 176.870 0.057 0.000 1.074 656 L CA 2.192 56.914 54.840 -0.197 0.000 0.763 656 L CB -1.074 40.736 42.059 -0.415 0.000 0.890 656 L HN 0.129 nan 8.230 nan 0.000 0.434 657 T N -2.131 112.559 114.554 0.227 0.000 2.977 657 T HA -0.141 4.238 4.350 0.048 0.000 0.271 657 T C 1.565 176.408 174.700 0.238 0.000 1.105 657 T CA 1.806 64.129 62.100 0.372 0.000 1.116 657 T CB -0.240 68.803 68.868 0.291 0.000 0.878 657 T HN 0.610 nan 8.240 nan 0.000 0.509 658 T N 0.771 115.406 114.554 0.137 0.000 2.898 658 T HA -0.002 4.377 4.350 0.048 0.000 0.241 658 T C 1.613 176.363 174.700 0.082 0.000 1.024 658 T CA 0.705 62.863 62.100 0.098 0.000 1.174 658 T CB -0.414 68.489 68.868 0.058 0.000 0.873 658 T HN 0.289 nan 8.240 nan 0.000 0.422 659 D N 0.912 121.316 120.400 0.007 0.000 2.200 659 D HA -0.134 4.535 4.640 0.048 0.000 0.192 659 D C 1.747 178.041 176.300 -0.011 0.000 1.008 659 D CA 1.248 55.216 54.000 -0.053 0.000 0.872 659 D CB -0.444 40.253 40.800 -0.171 0.000 0.923 659 D HN 0.352 nan 8.370 nan 0.000 0.447 660 F N 1.024 120.980 119.950 0.010 0.000 2.026 660 F HA -0.182 4.373 4.527 0.047 0.000 0.296 660 F C 2.741 178.554 175.800 0.021 0.000 1.133 660 F CA 1.399 59.410 58.000 0.018 0.000 1.188 660 F CB -0.586 38.439 39.000 0.042 0.000 0.968 660 F HN 0.037 nan 8.300 nan 0.000 0.476 661 G N -0.167 108.784 108.800 0.252 0.000 2.503 661 G HA2 -0.304 3.684 3.960 0.048 0.000 0.221 661 G HA3 -0.304 3.684 3.960 0.048 0.000 0.221 661 G C 1.348 176.309 174.900 0.103 0.000 1.131 661 G CA 1.311 46.495 45.100 0.140 0.000 0.756 661 G HN 0.297 nan 8.290 nan 0.000 0.572 662 N N 1.066 119.819 118.700 0.088 0.000 2.494 662 N HA 0.127 4.896 4.740 0.048 0.000 0.182 662 N C 1.004 176.549 175.510 0.059 0.000 1.076 662 N CA 0.669 53.755 53.050 0.060 0.000 0.908 662 N CB 0.080 38.591 38.487 0.041 0.000 0.967 662 N HN 0.381 nan 8.380 nan 0.000 0.449 663 A N 1.163 124.030 122.820 0.078 0.000 2.302 663 A HA 0.408 4.756 4.320 0.048 0.000 0.285 663 A C -0.285 177.353 177.584 0.090 0.000 1.105 663 A CA -0.497 51.586 52.037 0.077 0.000 0.816 663 A CB 0.491 19.535 19.000 0.073 0.000 1.067 663 A HN 0.072 nan 8.150 nan 0.000 0.489 664 E N 0.990 121.236 120.200 0.076 0.000 2.216 664 E HA 0.366 4.745 4.350 0.048 0.000 0.279 664 E C -0.513 176.132 176.600 0.074 0.000 0.997 664 E CA -0.568 55.873 56.400 0.069 0.000 0.817 664 E CB 0.870 30.603 29.700 0.055 0.000 1.096 664 E HN 0.514 nan 8.360 nan 0.000 0.393 665 K N 1.194 121.634 120.400 0.067 0.000 2.699 665 K HA -0.006 4.342 4.320 0.048 0.000 0.205 665 K C 0.193 176.825 176.600 0.053 0.000 1.008 665 K CA 0.581 56.904 56.287 0.059 0.000 1.100 665 K CB -0.191 32.334 32.500 0.042 0.000 0.878 665 K HN 0.448 nan 8.250 nan 0.000 0.496 666 T N -0.579 114.009 114.554 0.057 0.000 2.955 666 T HA -0.041 4.338 4.350 0.048 0.000 0.251 666 T C 0.255 174.991 174.700 0.060 0.000 1.002 666 T CA -0.131 62.000 62.100 0.052 0.000 0.970 666 T CB 0.299 69.195 68.868 0.046 0.000 1.091 666 T HN 0.140 nan 8.240 nan 0.000 0.495 667 D N 2.364 122.807 120.400 0.072 0.000 2.558 667 D HA 0.125 4.794 4.640 0.048 0.000 0.221 667 D C 1.350 177.720 176.300 0.117 0.000 1.143 667 D CA -0.171 53.886 54.000 0.095 0.000 1.010 667 D CB 0.137 41.001 40.800 0.105 0.000 1.068 667 D HN 0.093 nan 8.370 nan 0.000 0.511 668 R N 2.004 122.563 120.500 0.099 0.000 2.204 668 R HA -0.245 4.124 4.340 0.048 0.000 0.253 668 R C 1.571 177.929 176.300 0.097 0.000 1.172 668 R CA 1.297 57.446 56.100 0.082 0.000 0.994 668 R CB -0.192 30.150 30.300 0.070 0.000 0.874 668 R HN 0.441 nan 8.270 nan 0.000 0.462 669 F N 0.510 120.457 119.950 -0.005 0.000 2.074 669 F HA -0.184 4.372 4.527 0.049 0.000 0.293 669 F C 2.192 177.980 175.800 -0.021 0.000 1.116 669 F CA 1.671 59.662 58.000 -0.014 0.000 1.212 669 F CB -0.642 38.348 39.000 -0.016 0.000 0.998 669 F HN -0.120 nan 8.300 nan 0.000 0.471 670 V N -1.048 119.056 119.914 0.316 0.000 2.490 670 V HA -0.256 3.893 4.120 0.048 0.000 0.250 670 V C 2.169 178.240 176.094 -0.039 0.000 1.061 670 V CA 1.722 64.104 62.300 0.137 0.000 1.064 670 V CB -0.872 31.048 31.823 0.162 0.000 0.670 670 V HN 0.411 nan 8.190 nan 0.000 0.461 671 M N 0.113 119.717 119.600 0.006 0.000 2.156 671 M HA -0.010 4.499 4.480 0.048 0.000 0.264 671 M C 2.293 178.574 176.300 -0.031 0.000 1.067 671 M CA 1.792 57.107 55.300 0.025 0.000 1.131 671 M CB -1.172 31.476 32.600 0.079 0.000 1.368 671 M HN 0.419 nan 8.290 nan 0.000 0.416 672 K N 0.940 121.288 120.400 -0.086 0.000 2.057 672 K HA -0.196 4.153 4.320 0.048 0.000 0.207 672 K C 1.962 178.460 176.600 -0.170 0.000 1.049 672 K CA 1.389 57.609 56.287 -0.112 0.000 0.931 672 K CB -0.234 32.166 32.500 -0.166 0.000 0.714 672 K HN 0.276 nan 8.250 nan 0.000 0.440 673 K N 0.629 120.846 120.400 -0.305 0.000 2.147 673 K HA -0.101 4.247 4.320 0.048 0.000 0.205 673 K C 2.212 178.665 176.600 -0.245 0.000 1.049 673 K CA 0.935 57.035 56.287 -0.311 0.000 0.936 673 K CB 0.029 32.294 32.500 -0.391 0.000 0.722 673 K HN 0.115 nan 8.250 nan 0.000 0.446 674 L N 0.498 121.558 121.223 -0.272 0.000 2.049 674 L HA -0.123 4.246 4.340 0.048 0.000 0.203 674 L C 2.142 178.881 176.870 -0.218 0.000 1.074 674 L CA 0.748 55.331 54.840 -0.428 0.000 0.749 674 L CB -0.747 40.783 42.059 -0.883 0.000 0.907 674 L HN 0.172 nan 8.230 nan 0.000 0.439 675 N N 0.433 119.129 118.700 -0.006 0.000 2.132 675 N HA -0.225 4.544 4.740 0.048 0.000 0.191 675 N C 1.406 176.928 175.510 0.021 0.000 1.015 675 N CA 1.599 54.711 53.050 0.105 0.000 0.864 675 N CB -0.384 38.165 38.487 0.103 0.000 1.006 675 N HN 0.367 nan 8.380 nan 0.000 0.430 676 D N 0.704 121.107 120.400 0.004 0.000 2.117 676 D HA -0.095 4.573 4.640 0.048 0.000 0.197 676 D C 1.989 178.273 176.300 -0.025 0.000 0.987 676 D CA 0.700 54.706 54.000 0.010 0.000 0.829 676 D CB -0.019 40.784 40.800 0.004 0.000 0.961 676 D HN 0.325 nan 8.370 nan 0.000 0.460 677 R N 0.594 121.040 120.500 -0.091 0.000 2.081 677 R HA -0.072 4.297 4.340 0.048 0.000 0.235 677 R C 2.456 178.699 176.300 -0.096 0.000 1.131 677 R CA 0.593 56.617 56.100 -0.125 0.000 0.960 677 R CB -0.655 29.506 30.300 -0.231 0.000 0.856 677 R HN 0.139 nan 8.270 nan 0.000 0.436 678 V N 1.470 121.344 119.914 -0.068 0.000 2.343 678 V HA -0.230 3.919 4.120 0.048 0.000 0.247 678 V C 2.369 178.511 176.094 0.081 0.000 1.051 678 V CA 1.612 63.919 62.300 0.013 0.000 1.036 678 V CB -0.418 31.495 31.823 0.150 0.000 0.654 678 V HN 0.287 nan 8.190 nan 0.000 0.451 679 M N -0.821 118.808 119.600 0.049 0.000 2.549 679 M HA -0.101 4.408 4.480 0.048 0.000 0.260 679 M C 2.179 178.557 176.300 0.129 0.000 1.076 679 M CA 1.396 56.741 55.300 0.075 0.000 1.090 679 M CB -0.099 32.486 32.600 -0.026 0.000 1.418 679 M HN 0.256 nan 8.290 nan 0.000 0.486 680 R N -1.539 119.034 120.500 0.122 0.000 2.156 680 R HA 0.034 4.403 4.340 0.048 0.000 0.207 680 R C 1.950 178.379 176.300 0.215 0.000 1.040 680 R CA 0.639 56.854 56.100 0.192 0.000 1.013 680 R CB -0.314 30.140 30.300 0.256 0.000 0.931 680 R HN 0.202 nan 8.270 nan 0.000 0.465 681 V N 1.956 121.962 119.914 0.154 0.000 2.236 681 V HA -0.359 3.790 4.120 0.048 0.000 0.255 681 V C 2.309 178.499 176.094 0.159 0.000 1.068 681 V CA 2.452 64.847 62.300 0.158 0.000 1.044 681 V CB -0.550 31.419 31.823 0.243 0.000 0.653 681 V HN 0.316 nan 8.190 nan 0.000 0.448 682 E N -0.681 119.655 120.200 0.226 0.000 2.031 682 E HA -0.259 4.120 4.350 0.048 0.000 0.193 682 E C 2.091 178.838 176.600 0.245 0.000 0.994 682 E CA 1.908 58.480 56.400 0.285 0.000 0.800 682 E CB -0.584 29.311 29.700 0.323 0.000 0.752 682 E HN 0.674 nan 8.360 nan 0.000 0.447 683 Y N 0.575 120.868 120.300 -0.011 0.000 2.165 683 Y HA -0.244 4.337 4.550 0.052 0.000 0.286 683 Y C 2.001 177.724 175.900 -0.296 0.000 1.155 683 Y CA 2.233 60.201 58.100 -0.221 0.000 1.164 683 Y CB -0.351 37.699 38.460 -0.682 0.000 0.978 683 Y HN 0.266 nan 8.280 nan 0.000 0.513 684 H N -1.043 117.830 119.070 -0.329 0.000 2.567 684 H HA -0.066 4.518 4.556 0.047 0.000 0.276 684 H C 0.670 175.654 175.328 -0.574 0.000 1.016 684 H CA 0.982 56.746 56.048 -0.473 0.000 1.186 684 H CB -0.572 28.978 29.762 -0.352 0.000 1.351 684 H HN 0.432 nan 8.280 nan 0.000 0.605 685 F N 0.211 119.964 119.950 -0.328 0.000 2.641 685 F HA 0.180 4.742 4.527 0.058 0.000 0.302 685 F C 0.505 175.996 175.800 -0.515 0.000 1.098 685 F CA -0.140 57.593 58.000 -0.445 0.000 1.318 685 F CB 0.552 39.149 39.000 -0.672 0.000 1.035 685 F HN -0.089 nan 8.300 nan 0.000 0.551 686 L N 0.385 121.429 121.223 -0.298 0.000 2.257 686 L HA 0.221 4.590 4.340 0.048 0.000 0.290 686 L C 0.812 177.575 176.870 -0.178 0.000 1.044 686 L CA -0.670 54.036 54.840 -0.222 0.000 0.810 686 L CB 1.217 43.074 42.059 -0.336 0.000 1.193 686 L HN -0.099 nan 8.230 nan 0.000 0.425 687 S N 5.925 121.611 115.700 -0.023 0.000 2.811 687 S HA 0.040 4.539 4.470 0.048 0.000 0.325 687 S C -1.332 173.235 174.600 -0.055 0.000 1.224 687 S CA -0.873 57.354 58.200 0.045 0.000 1.125 687 S CB 0.253 63.545 63.200 0.154 0.000 0.867 687 S HN 0.453 nan 8.310 nan 0.000 0.512 688 P HA 0.120 nan 4.420 nan 0.000 0.253 688 P C -0.577 176.391 177.300 -0.554 0.000 1.508 688 P CA 0.190 63.076 63.100 -0.357 0.000 0.883 688 P CB -0.372 31.076 31.700 -0.421 0.000 1.519 689 Y N -0.511 119.751 120.300 -0.064 0.000 2.675 689 Y HA 0.182 4.758 4.550 0.044 0.000 0.248 689 Y C 0.969 176.823 175.900 -0.075 0.000 1.161 689 Y CA -0.568 57.500 58.100 -0.054 0.000 1.203 689 Y CB 0.859 39.302 38.460 -0.029 0.000 1.262 689 Y HN -0.186 nan 8.280 nan 0.000 0.544 690 V N -2.520 117.378 119.914 -0.026 0.000 2.709 690 V HA 0.608 4.757 4.120 0.048 0.000 0.308 690 V C -0.069 175.960 176.094 -0.108 0.000 1.062 690 V CA -1.195 61.044 62.300 -0.101 0.000 0.901 690 V CB 1.786 33.436 31.823 -0.289 0.000 1.003 690 V HN -0.003 nan 8.190 nan 0.000 0.425 691 S N 4.244 119.901 115.700 -0.070 0.000 2.505 691 S HA 0.435 4.934 4.470 0.048 0.000 0.276 691 S C -1.322 173.261 174.600 -0.029 0.000 1.274 691 S CA -0.888 57.288 58.200 -0.040 0.000 1.053 691 S CB 1.231 64.425 63.200 -0.010 0.000 0.919 691 S HN 0.766 nan 8.310 nan 0.000 0.490 692 P HA -0.125 nan 4.420 nan 0.000 0.217 692 P C 1.311 178.653 177.300 0.069 0.000 1.148 692 P CA 0.929 64.065 63.100 0.060 0.000 0.828 692 P CB 0.147 31.919 31.700 0.119 0.000 0.783 693 K N -0.293 120.165 120.400 0.096 0.000 2.147 693 K HA -0.167 4.182 4.320 0.048 0.000 0.205 693 K C 1.518 178.170 176.600 0.087 0.000 1.049 693 K CA 1.276 57.653 56.287 0.150 0.000 0.936 693 K CB 0.043 32.651 32.500 0.180 0.000 0.722 693 K HN 0.077 nan 8.250 nan 0.000 0.446 694 E N -0.156 120.067 120.200 0.040 0.000 2.079 694 E HA 0.047 4.426 4.350 0.048 0.000 0.191 694 E C 0.214 176.811 176.600 -0.005 0.000 0.961 694 E CA 0.519 56.933 56.400 0.023 0.000 0.823 694 E CB 0.403 30.111 29.700 0.013 0.000 0.789 694 E HN -0.052 nan 8.360 nan 0.000 0.459 695 S N 2.733 118.408 115.700 -0.042 0.000 2.395 695 S HA 0.195 4.694 4.470 0.048 0.000 0.207 695 S C -1.950 172.594 174.600 -0.093 0.000 1.454 695 S CA -1.038 57.131 58.200 -0.052 0.000 1.211 695 S CB 1.843 64.995 63.200 -0.080 0.000 1.093 695 S HN 0.006 nan 8.310 nan 0.000 0.472 696 P HA -0.131 nan 4.420 nan 0.000 0.216 696 P C 0.123 177.344 177.300 -0.132 0.000 1.150 696 P CA 1.122 64.084 63.100 -0.229 0.000 0.843 696 P CB -0.119 31.192 31.700 -0.650 0.000 0.787 697 F N 0.429 120.509 119.950 0.218 0.000 2.541 697 F HA 0.309 4.873 4.527 0.061 0.000 0.351 697 F C 1.856 177.879 175.800 0.371 0.000 1.209 697 F CA -0.701 57.439 58.000 0.233 0.000 1.277 697 F CB -0.031 39.111 39.000 0.236 0.000 1.632 697 F HN -0.278 nan 8.300 nan 0.000 0.619 698 R N -0.866 119.849 120.500 0.358 0.000 2.235 698 R HA -0.104 4.265 4.340 0.048 0.000 0.213 698 R C 0.344 176.858 176.300 0.357 0.000 1.059 698 R CA 0.200 56.477 56.100 0.295 0.000 0.997 698 R CB -0.361 29.941 30.300 0.004 0.000 0.884 698 R HN 0.432 nan 8.270 nan 0.000 0.462 699 H N 1.299 120.498 119.070 0.216 0.000 3.248 699 H HA -0.046 4.528 4.556 0.030 0.000 0.258 699 H C 1.551 176.914 175.328 0.058 0.000 0.923 699 H CA -0.145 55.983 56.048 0.134 0.000 1.416 699 H CB 0.637 30.496 29.762 0.162 0.000 1.523 699 H HN -0.035 nan 8.280 nan 0.000 0.528 700 V N 2.667 122.482 119.914 -0.165 0.000 2.527 700 V HA -0.307 3.842 4.120 0.048 0.000 0.255 700 V C 1.647 177.490 176.094 -0.419 0.000 1.081 700 V CA 1.733 63.874 62.300 -0.264 0.000 1.092 700 V CB -0.951 30.697 31.823 -0.292 0.000 0.673 700 V HN 0.531 nan 8.190 nan 0.000 0.470 701 F N -0.471 119.164 119.950 -0.525 0.000 2.262 701 F HA 0.246 4.800 4.527 0.044 0.000 0.292 701 F C 1.880 177.319 175.800 -0.602 0.000 1.081 701 F CA 1.114 58.618 58.000 -0.827 0.000 1.355 701 F CB -0.273 37.811 39.000 -1.527 0.000 1.069 701 F HN 0.209 nan 8.300 nan 0.000 0.506 702 W N -0.606 121.000 121.300 0.509 0.000 2.870 702 W HA 0.432 5.070 4.660 -0.036 0.000 0.358 702 W C 1.468 178.133 176.519 0.244 0.000 1.043 702 W CA -0.144 57.354 57.345 0.254 0.000 1.692 702 W CB -0.661 28.867 29.460 0.114 0.000 1.100 702 W HN -0.100 nan 8.180 nan 0.000 0.557 703 G N 1.137 110.163 108.800 0.377 0.000 2.481 703 G HA2 0.392 4.380 3.960 0.048 0.000 0.251 703 G HA3 0.392 4.380 3.960 0.048 0.000 0.251 703 G C -0.325 174.743 174.900 0.280 0.000 1.492 703 G CA -0.015 45.304 45.100 0.364 0.000 1.060 703 G HN -0.035 nan 8.290 nan 0.000 0.553 704 S N -1.597 114.278 115.700 0.292 0.000 2.592 704 S HA 0.695 5.194 4.470 0.048 0.000 0.275 704 S C -0.093 174.644 174.600 0.228 0.000 1.169 704 S CA 0.116 58.441 58.200 0.208 0.000 0.958 704 S CB 1.539 64.918 63.200 0.299 0.000 1.095 704 S HN 1.939 nan 8.310 nan 0.000 0.471 705 G N 1.252 110.087 108.800 0.059 0.000 2.369 705 G HA2 0.236 4.225 3.960 0.048 0.000 0.307 705 G HA3 0.236 4.225 3.960 0.048 0.000 0.307 705 G C 0.417 175.333 174.900 0.027 0.000 1.327 705 G CA 0.010 45.212 45.100 0.171 0.000 0.963 705 G HN 1.075 nan 8.290 nan 0.000 0.590 706 S N -0.512 115.280 115.700 0.154 0.000 2.481 706 S HA -0.086 4.413 4.470 0.048 0.000 0.231 706 S C 1.789 176.412 174.600 0.038 0.000 0.996 706 S CA 1.808 60.049 58.200 0.067 0.000 0.942 706 S CB -0.531 62.713 63.200 0.074 0.000 0.768 706 S HN 1.185 nan 8.310 nan 0.000 0.520 707 H N 0.395 119.460 119.070 -0.008 0.000 2.529 707 H HA 0.152 4.759 4.556 0.086 0.000 0.277 707 H C 0.247 175.528 175.328 -0.078 0.000 0.999 707 H CA 0.720 56.748 56.048 -0.034 0.000 1.256 707 H CB -1.544 28.219 29.762 0.001 0.000 1.402 707 H HN 0.196 nan 8.280 nan 0.000 0.566 708 T N 2.500 116.702 114.554 -0.586 0.000 2.934 708 T HA -0.017 4.362 4.350 0.048 0.000 0.306 708 T C 1.484 175.976 174.700 -0.347 0.000 1.042 708 T CA -0.213 61.613 62.100 -0.456 0.000 1.145 708 T CB 0.711 69.379 68.868 -0.333 0.000 0.982 708 T HN 0.073 nan 8.240 nan 0.000 0.544 709 L N 6.419 127.358 121.223 -0.474 0.000 1.976 709 L HA 0.071 4.440 4.340 0.048 0.000 0.209 709 L C -0.622 176.035 176.870 -0.355 0.000 1.071 709 L CA 1.755 56.219 54.840 -0.627 0.000 0.746 709 L CB -1.481 39.898 42.059 -1.134 0.000 0.890 709 L HN 0.515 nan 8.230 nan 0.000 0.432 710 P HA -0.184 nan 4.420 nan 0.000 0.216 710 P C 1.469 178.734 177.300 -0.057 0.000 1.150 710 P CA 1.896 64.933 63.100 -0.105 0.000 0.843 710 P CB -0.119 31.537 31.700 -0.074 0.000 0.787 711 A N -0.873 121.893 122.820 -0.090 0.000 2.019 711 A HA -0.184 4.165 4.320 0.048 0.000 0.219 711 A C 2.156 179.742 177.584 0.003 0.000 1.164 711 A CA 1.255 53.265 52.037 -0.045 0.000 0.644 711 A CB -1.610 17.346 19.000 -0.073 0.000 0.805 711 A HN 0.202 nan 8.150 nan 0.000 0.449 712 L N -0.454 120.770 121.223 0.001 0.000 1.976 712 L HA -0.160 4.209 4.340 0.048 0.000 0.209 712 L C 2.453 179.414 176.870 0.153 0.000 1.071 712 L CA 1.663 56.565 54.840 0.103 0.000 0.746 712 L CB -0.325 41.788 42.059 0.091 0.000 0.890 712 L HN 0.427 nan 8.230 nan 0.000 0.432 713 L N -0.212 121.063 121.223 0.087 0.000 1.989 713 L HA -0.263 4.106 4.340 0.048 0.000 0.211 713 L C 2.598 179.416 176.870 -0.087 0.000 1.071 713 L CA 1.502 56.299 54.840 -0.072 0.000 0.749 713 L CB -0.796 41.241 42.059 -0.036 0.000 0.890 713 L HN 0.322 nan 8.230 nan 0.000 0.431 714 E N 0.499 120.694 120.200 -0.009 0.000 2.233 714 E HA -0.269 4.110 4.350 0.048 0.000 0.199 714 E C 1.772 178.392 176.600 0.033 0.000 1.004 714 E CA 1.548 57.954 56.400 0.009 0.000 0.819 714 E CB -0.166 29.544 29.700 0.016 0.000 0.738 714 E HN 0.406 nan 8.360 nan 0.000 0.478 715 N N -1.102 117.643 118.700 0.076 0.000 2.305 715 N HA -0.051 4.718 4.740 0.048 0.000 0.179 715 N C 1.495 177.126 175.510 0.201 0.000 1.019 715 N CA 0.558 53.705 53.050 0.161 0.000 0.869 715 N CB -0.237 38.373 38.487 0.205 0.000 1.000 715 N HN 0.186 nan 8.380 nan 0.000 0.431 716 L N 1.415 122.655 121.223 0.028 0.000 2.083 716 L HA -0.007 4.361 4.340 0.048 0.000 0.209 716 L C 1.819 178.472 176.870 -0.362 0.000 1.083 716 L CA 1.589 56.230 54.840 -0.333 0.000 0.752 716 L CB -0.434 41.281 42.059 -0.573 0.000 0.899 716 L HN 0.104 nan 8.230 nan 0.000 0.433 717 K N -0.662 119.600 120.400 -0.231 0.000 2.113 717 K HA -0.184 4.165 4.320 0.048 0.000 0.208 717 K C 1.915 178.502 176.600 -0.021 0.000 1.047 717 K CA 1.622 57.891 56.287 -0.030 0.000 0.928 717 K CB -0.408 32.115 32.500 0.038 0.000 0.716 717 K HN 0.383 nan 8.250 nan 0.000 0.446 718 L N 0.510 121.723 121.223 -0.015 0.000 2.362 718 L HA -0.108 4.261 4.340 0.048 0.000 0.219 718 L C 2.411 179.243 176.870 -0.063 0.000 1.134 718 L CA 0.394 55.247 54.840 0.022 0.000 0.807 718 L CB -0.427 41.706 42.059 0.124 0.000 0.927 718 L HN 0.094 nan 8.230 nan 0.000 0.447 719 R N 1.539 121.843 120.500 -0.327 0.000 2.096 719 R HA -0.188 4.181 4.340 0.048 0.000 0.240 719 R C 2.108 178.259 176.300 -0.248 0.000 1.139 719 R CA 1.746 57.495 56.100 -0.586 0.000 0.952 719 R CB -0.295 29.423 30.300 -0.969 0.000 0.854 719 R HN 0.252 nan 8.270 nan 0.000 0.436 720 K N 0.056 120.364 120.400 -0.154 0.000 2.152 720 K HA -0.159 4.190 4.320 0.048 0.000 0.206 720 K C 2.031 178.605 176.600 -0.044 0.000 1.048 720 K CA 1.573 57.812 56.287 -0.079 0.000 0.933 720 K CB -0.121 32.355 32.500 -0.041 0.000 0.721 720 K HN 0.375 nan 8.250 nan 0.000 0.447 721 Q N 0.956 120.740 119.800 -0.026 0.000 2.576 721 Q HA -0.165 4.204 4.340 0.048 0.000 0.218 721 Q C 0.213 176.216 176.000 0.005 0.000 0.983 721 Q CA 0.899 56.702 55.803 0.000 0.000 0.920 721 Q CB -0.536 28.213 28.738 0.019 0.000 0.973 721 Q HN 0.490 nan 8.270 nan 0.000 0.528 722 N N -0.560 118.136 118.700 -0.008 0.000 2.707 722 N HA -0.353 4.415 4.740 0.048 0.000 0.245 722 N C -0.360 175.166 175.510 0.028 0.000 1.103 722 N CA 1.896 54.948 53.050 0.004 0.000 0.882 722 N CB -2.077 36.411 38.487 0.001 0.000 1.160 722 N HN 0.663 nan 8.380 nan 0.000 0.587 723 N N -2.161 116.561 118.700 0.038 0.000 2.431 723 N HA 0.423 5.192 4.740 0.048 0.000 0.289 723 N C 1.369 176.923 175.510 0.073 0.000 1.277 723 N CA -0.549 52.529 53.050 0.048 0.000 0.972 723 N CB 0.291 38.804 38.487 0.043 0.000 1.143 723 N HN 0.129 nan 8.380 nan 0.000 0.578 724 G N -1.726 107.113 108.800 0.065 0.000 2.880 724 G HA2 0.057 4.046 3.960 0.048 0.000 0.209 724 G HA3 0.057 4.046 3.960 0.048 0.000 0.209 724 G C 1.378 176.326 174.900 0.080 0.000 1.157 724 G CA 0.328 45.471 45.100 0.071 0.000 0.779 724 G HN 0.710 nan 8.290 nan 0.000 0.539 725 A N 0.551 123.422 122.820 0.085 0.000 2.054 725 A HA -0.058 4.291 4.320 0.048 0.000 0.223 725 A C 1.010 178.669 177.584 0.126 0.000 1.169 725 A CA 0.492 52.581 52.037 0.087 0.000 0.655 725 A CB -0.468 18.581 19.000 0.082 0.000 0.812 725 A HN 0.438 nan 8.150 nan 0.000 0.462 726 F N 1.248 121.195 119.950 -0.005 0.000 2.421 726 F HA 0.418 4.970 4.527 0.041 0.000 0.358 726 F C 0.057 175.860 175.800 0.004 0.000 1.115 726 F CA -1.709 56.282 58.000 -0.014 0.000 1.160 726 F CB 0.336 39.310 39.000 -0.044 0.000 1.123 726 F HN 0.113 nan 8.300 nan 0.000 0.508 727 N N 5.687 124.052 118.700 -0.559 0.000 2.437 727 N HA 0.025 4.794 4.740 0.048 0.000 0.243 727 N C 0.824 175.792 175.510 -0.903 0.000 1.041 727 N CA 0.142 52.895 53.050 -0.496 0.000 0.940 727 N CB 0.716 39.059 38.487 -0.241 0.000 1.133 727 N HN 0.960 nan 8.380 nan 0.000 0.506 728 E N 2.195 121.929 120.200 -0.778 0.000 2.047 728 E HA -0.135 4.244 4.350 0.048 0.000 0.191 728 E C 0.710 177.212 176.600 -0.163 0.000 0.987 728 E CA 1.417 57.495 56.400 -0.536 0.000 0.799 728 E CB 0.238 29.898 29.700 -0.066 0.000 0.752 728 E HN 0.614 nan 8.360 nan 0.000 0.449 729 T N 1.859 116.342 114.554 -0.119 0.000 2.759 729 T HA -0.193 4.185 4.350 0.048 0.000 0.269 729 T C 1.760 176.426 174.700 -0.056 0.000 1.042 729 T CA 1.227 63.295 62.100 -0.053 0.000 1.140 729 T CB -0.299 68.541 68.868 -0.046 0.000 0.864 729 T HN 0.143 nan 8.240 nan 0.000 0.455 730 L N 0.741 121.908 121.223 -0.094 0.000 2.017 730 L HA 0.052 4.421 4.340 0.048 0.000 0.208 730 L C 2.009 178.865 176.870 -0.023 0.000 1.073 730 L CA 1.612 56.414 54.840 -0.064 0.000 0.745 730 L CB -1.122 40.891 42.059 -0.077 0.000 0.894 730 L HN 0.220 nan 8.230 nan 0.000 0.432 731 F N 0.629 120.482 119.950 -0.161 0.000 2.026 731 F HA -0.251 4.300 4.527 0.039 0.000 0.296 731 F C 2.653 178.451 175.800 -0.003 0.000 1.133 731 F CA 1.921 59.899 58.000 -0.038 0.000 1.188 731 F CB -0.542 38.507 39.000 0.081 0.000 0.968 731 F HN 0.049 nan 8.300 nan 0.000 0.476 732 R N 0.577 121.100 120.500 0.038 0.000 2.189 732 R HA -0.282 4.087 4.340 0.048 0.000 0.252 732 R C 1.916 178.108 176.300 -0.180 0.000 1.134 732 R CA 2.082 58.144 56.100 -0.064 0.000 0.954 732 R CB -1.421 28.898 30.300 0.032 0.000 0.890 732 R HN 0.453 nan 8.270 nan 0.000 0.443 733 N N 0.731 119.348 118.700 -0.137 0.000 2.062 733 N HA -0.129 4.640 4.740 0.048 0.000 0.191 733 N C 1.917 177.314 175.510 -0.188 0.000 1.042 733 N CA 1.081 54.049 53.050 -0.138 0.000 0.845 733 N CB -0.457 37.974 38.487 -0.093 0.000 1.024 733 N HN 0.353 nan 8.380 nan 0.000 0.424 734 Q N 0.948 120.633 119.800 -0.192 0.000 2.103 734 Q HA -0.210 4.159 4.340 0.048 0.000 0.213 734 Q C 2.225 178.063 176.000 -0.270 0.000 1.008 734 Q CA 1.567 57.252 55.803 -0.197 0.000 0.879 734 Q CB -0.387 28.253 28.738 -0.162 0.000 0.946 734 Q HN 0.367 nan 8.270 nan 0.000 0.413 735 L N -0.054 120.896 121.223 -0.455 0.000 1.976 735 L HA -0.209 4.160 4.340 0.048 0.000 0.209 735 L C 2.356 179.077 176.870 -0.248 0.000 1.071 735 L CA 1.505 56.109 54.840 -0.393 0.000 0.746 735 L CB -0.575 41.119 42.059 -0.609 0.000 0.890 735 L HN 0.274 nan 8.230 nan 0.000 0.432 736 A N 0.264 122.943 122.820 -0.234 0.000 1.881 736 A HA -0.296 4.053 4.320 0.048 0.000 0.219 736 A C 2.166 179.676 177.584 -0.124 0.000 1.215 736 A CA 2.550 54.488 52.037 -0.164 0.000 0.648 736 A CB -1.213 17.720 19.000 -0.112 0.000 0.832 736 A HN 0.555 nan 8.150 nan 0.000 0.455 737 L N -1.263 119.861 121.223 -0.164 0.000 2.005 737 L HA -0.134 4.235 4.340 0.048 0.000 0.207 737 L C 3.086 179.866 176.870 -0.150 0.000 1.072 737 L CA 1.020 55.714 54.840 -0.244 0.000 0.744 737 L CB -0.714 41.127 42.059 -0.363 0.000 0.895 737 L HN 0.446 nan 8.230 nan 0.000 0.433 738 A N -0.413 122.317 122.820 -0.149 0.000 2.093 738 A HA -0.229 4.120 4.320 0.048 0.000 0.222 738 A C 2.279 179.786 177.584 -0.129 0.000 1.162 738 A CA 2.379 54.327 52.037 -0.149 0.000 0.655 738 A CB -0.868 18.009 19.000 -0.206 0.000 0.805 738 A HN 0.466 nan 8.150 nan 0.000 0.461 739 T N -1.656 112.802 114.554 -0.160 0.000 2.706 739 T HA -0.147 4.232 4.350 0.048 0.000 0.255 739 T C 1.463 176.041 174.700 -0.203 0.000 1.048 739 T CA 1.293 63.258 62.100 -0.226 0.000 1.153 739 T CB -0.414 68.207 68.868 -0.411 0.000 0.865 739 T HN 0.745 nan 8.240 nan 0.000 0.414 740 W N 1.736 123.015 121.300 -0.035 0.000 2.387 740 W HA -0.127 4.561 4.660 0.047 0.000 0.272 740 W C 2.608 179.178 176.519 0.086 0.000 1.224 740 W CA 0.711 58.068 57.345 0.019 0.000 1.210 740 W CB -0.904 28.536 29.460 -0.033 0.000 1.125 740 W HN 0.261 nan 8.180 nan 0.000 0.572 741 T N 0.803 115.500 114.554 0.238 0.000 2.701 741 T HA -0.189 4.190 4.350 0.048 0.000 0.263 741 T C 1.698 176.435 174.700 0.062 0.000 1.040 741 T CA 1.531 63.745 62.100 0.190 0.000 1.147 741 T CB -0.456 68.477 68.868 0.108 0.000 0.865 741 T HN 0.072 nan 8.240 nan 0.000 0.426 742 I N 0.908 121.496 120.570 0.031 0.000 2.179 742 I HA -0.194 4.005 4.170 0.048 0.000 0.242 742 I C 2.993 179.127 176.117 0.028 0.000 1.088 742 I CA 1.086 62.389 61.300 0.005 0.000 1.357 742 I CB -0.443 37.573 38.000 0.027 0.000 1.051 742 I HN 0.159 nan 8.210 nan 0.000 0.409 743 Q N 1.178 121.022 119.800 0.074 0.000 2.014 743 Q HA -0.203 4.166 4.340 0.048 0.000 0.207 743 Q C 2.280 178.376 176.000 0.160 0.000 0.993 743 Q CA 2.366 58.252 55.803 0.138 0.000 0.850 743 Q CB -1.015 27.844 28.738 0.203 0.000 0.916 743 Q HN 0.565 nan 8.270 nan 0.000 0.417 744 G N 0.319 109.225 108.800 0.177 0.000 2.476 744 G HA2 -0.256 3.733 3.960 0.048 0.000 0.218 744 G HA3 -0.256 3.733 3.960 0.048 0.000 0.218 744 G C 1.545 176.414 174.900 -0.053 0.000 1.164 744 G CA 1.804 46.959 45.100 0.093 0.000 0.768 744 G HN 0.539 nan 8.290 nan 0.000 0.560 745 A N 0.961 123.707 122.820 -0.122 0.000 1.986 745 A HA 0.152 4.501 4.320 0.048 0.000 0.220 745 A C 2.766 180.335 177.584 -0.025 0.000 1.171 745 A CA 2.474 54.346 52.037 -0.275 0.000 0.640 745 A CB -0.662 17.892 19.000 -0.743 0.000 0.811 745 A HN 0.830 nan 8.150 nan 0.000 0.451 746 A N 0.366 123.278 122.820 0.154 0.000 1.840 746 A HA -0.136 4.213 4.320 0.048 0.000 0.214 746 A C 1.804 179.371 177.584 -0.028 0.000 1.198 746 A CA 1.455 53.587 52.037 0.158 0.000 0.608 746 A CB -0.638 18.497 19.000 0.225 0.000 0.839 746 A HN 0.524 nan 8.150 nan 0.000 0.443 747 N N 0.734 119.434 118.700 0.001 0.000 2.348 747 N HA -0.115 4.654 4.740 0.048 0.000 0.185 747 N C 1.551 176.982 175.510 -0.133 0.000 1.019 747 N CA 1.414 54.450 53.050 -0.024 0.000 0.880 747 N CB -0.434 38.084 38.487 0.051 0.000 0.965 747 N HN 0.531 nan 8.380 nan 0.000 0.437 748 A N 0.190 122.863 122.820 -0.245 0.000 1.984 748 A HA 0.086 4.435 4.320 0.048 0.000 0.214 748 A C 1.755 179.133 177.584 -0.343 0.000 1.173 748 A CA 0.178 51.969 52.037 -0.410 0.000 0.673 748 A CB -0.237 18.172 19.000 -0.984 0.000 0.830 748 A HN 0.181 nan 8.150 nan 0.000 0.453 749 L N -0.424 120.621 121.223 -0.296 0.000 2.693 749 L HA 0.230 4.598 4.340 0.048 0.000 0.242 749 L C 0.726 177.437 176.870 -0.265 0.000 1.157 749 L CA 0.966 55.642 54.840 -0.273 0.000 0.929 749 L CB -1.056 40.817 42.059 -0.310 0.000 1.103 749 L HN 0.576 nan 8.230 nan 0.000 0.430 750 S N -1.513 114.053 115.700 -0.223 0.000 4.146 750 S HA 0.004 4.503 4.470 0.048 0.000 0.628 750 S C 0.837 175.351 174.600 -0.143 0.000 1.860 750 S CA 0.348 58.432 58.200 -0.194 0.000 4.099 750 S CB -1.728 61.348 63.200 -0.206 0.000 0.215 750 S HN 1.680 nan 8.310 nan 0.000 0.512 751 G N 1.545 110.274 108.800 -0.118 0.000 2.132 751 G HA2 -0.061 3.927 3.960 0.048 0.000 0.234 751 G HA3 -0.061 3.927 3.960 0.048 0.000 0.234 751 G C 0.167 175.039 174.900 -0.046 0.000 0.989 751 G CA 1.025 46.090 45.100 -0.059 0.000 0.676 751 G HN 1.685 nan 8.290 nan 0.000 0.522 752 D N -1.989 118.359 120.400 -0.087 0.000 3.041 752 D HA -0.180 4.489 4.640 0.048 0.000 0.220 752 D C 0.915 177.143 176.300 -0.121 0.000 1.157 752 D CA 1.462 55.410 54.000 -0.087 0.000 0.876 752 D CB -1.703 39.075 40.800 -0.037 0.000 1.107 752 D HN 1.717 nan 8.370 nan 0.000 0.422 753 V N -2.204 117.610 119.914 -0.167 0.000 3.592 753 V HA -0.311 3.837 4.120 0.048 0.000 0.513 753 V C 0.871 176.921 176.094 -0.075 0.000 0.682 753 V CA 0.718 62.833 62.300 -0.308 0.000 2.067 753 V CB -0.633 30.833 31.823 -0.595 0.000 2.488 753 V HN 0.574 nan 8.190 nan 0.000 0.511 754 W N -0.054 121.242 121.300 -0.006 0.000 6.170 754 W HA -0.186 4.502 4.660 0.048 0.000 0.394 754 W C 0.513 177.041 176.519 0.016 0.000 1.480 754 W CA 0.307 57.656 57.345 0.008 0.000 1.027 754 W CB -1.138 28.326 29.460 0.008 0.000 2.638 754 W HN 0.910 nan 8.180 nan 0.000 1.547 755 D N 1.015 121.554 120.400 0.233 0.000 2.982 755 D HA 0.003 4.672 4.640 0.048 0.000 0.222 755 D C 0.579 176.971 176.300 0.153 0.000 1.124 755 D CA 0.886 54.975 54.000 0.149 0.000 0.810 755 D CB 0.337 41.208 40.800 0.118 0.000 1.152 755 D HN 0.040 nan 8.370 nan 0.000 0.538 756 I N 2.285 122.928 120.570 0.122 0.000 3.585 756 I HA 0.086 4.285 4.170 0.048 0.000 0.325 756 I C 0.097 176.267 176.117 0.088 0.000 1.370 756 I CA -0.228 61.134 61.300 0.103 0.000 1.298 756 I CB -0.509 37.543 38.000 0.088 0.000 1.387 756 I HN 0.188 nan 8.210 nan 0.000 0.466 757 D N -0.722 119.737 120.400 0.098 0.000 3.110 757 D HA 0.029 4.698 4.640 0.048 0.000 0.254 757 D C 1.039 177.417 176.300 0.130 0.000 1.283 757 D CA -0.398 53.659 54.000 0.095 0.000 0.944 757 D CB -0.673 40.170 40.800 0.072 0.000 1.066 757 D HN 0.495 nan 8.370 nan 0.000 0.496 758 N N -0.139 118.628 118.700 0.113 0.000 2.381 758 N HA -0.262 4.507 4.740 0.048 0.000 0.182 758 N C 1.357 176.941 175.510 0.122 0.000 1.025 758 N CA 0.334 53.451 53.050 0.112 0.000 0.888 758 N CB 0.142 38.673 38.487 0.072 0.000 0.965 758 N HN 0.174 nan 8.380 nan 0.000 0.438 759 E N 1.227 121.500 120.200 0.121 0.000 1.989 759 E HA -0.105 4.274 4.350 0.048 0.000 0.214 759 E C 0.326 177.027 176.600 0.168 0.000 0.915 759 E CA 0.104 56.572 56.400 0.113 0.000 1.012 759 E CB -0.696 29.063 29.700 0.098 0.000 0.865 759 E HN 0.213 nan 8.360 nan 0.000 0.577 760 F N 0.000 119.953 119.950 0.004 0.000 2.286 760 F HA 0.000 4.556 4.527 0.049 0.000 0.279 760 F CA 0.000 57.987 58.000 -0.022 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