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 3o8o_1_F DATA FIRST_RESID 196 DATA SEQUENCE QKAIAVMTSG GDAPGMNSNV RAIVRSAIFK GCRAFVVMEG YEGLVRGGPE DATA SEQUENCE YIKEFHWEDV RGWSAEGGTN IGTARCMEFK KREGRLLGAQ HLIEAGVDAL DATA SEQUENCE IVCGGDGSLT GADLFRSEWP SLIEELLKTN RISNEQYERM KHLNICGTVG DATA SEQUENCE SIDNDMSTTD ATIGAYSALD RICKAIDYVE ATANSHSRAF VVEVMGRNCG DATA SEQUENCE WLALLAGIAT SADYIFIPEK PATSSEWQDQ MCDIVSKHRS RGKRTTIVVV DATA SEQUENCE AEGAIAADLT PISPSDVHKV LVDRLGLDTR ITTLGHVQRG GTAVAYDRIL DATA SEQUENCE ATLQGLEAVN AVLESTPDTP SPLIAVNENK IVRKPLMESV KLTKAVAEAI DATA SEQUENCE QAKDFKRAMS LRDTEFIEHL NNFMAINSAD HNEPKLPKDK RLKIAIVNVG DATA SEQUENCE APAGGINSAV YSMATYCMSQ GHRPYAIYNG WSGLARHESV RSLNWKDMLG DATA SEQUENCE WQSRGGSEIG TNRVTPEEAD LGMIAYYFQK YEFDGLIIVG GFEAFESLHQ DATA SEQUENCE LERARESYPA FRIPMVLIPA TLSNNVPGTE YSLGSDTALN ALMEYCDVVK DATA SEQUENCE QSASSTRGRA FVVDCQGGNS GYLATYASLA VGAQVSYVPE EGISLEQLSE DATA SEQUENCE DIEYLAQSFE KAEGRGRFGK LILKSTNASK ALSATKLAEV ITAEADGRFD DATA SEQUENCE AKPAYPGHVQ QGGLPSPIDR TRATRMAIKA VGFIKDNQAA IAEARAAEEN DATA SEQUENCE FNADDKTISD TAAVVGVKGS HVVYNSIRQL YDYETEVSMR MPKVIHWQAT DATA SEQUENCE RLIADHLVGR KR 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 196 Q HA 0.000 nan 4.340 nan 0.000 0.214 196 Q C 0.000 176.036 176.000 0.060 0.000 1.003 196 Q CA 0.000 55.835 55.803 0.053 0.000 1.022 196 Q CB 0.000 28.760 28.738 0.036 0.000 1.108 197 K N 1.271 121.699 120.400 0.048 0.000 2.180 197 K HA 0.597 4.917 4.320 -0.000 0.000 0.251 197 K C -0.318 176.324 176.600 0.070 0.000 1.014 197 K CA 0.349 56.663 56.287 0.044 0.000 0.913 197 K CB 0.928 33.443 32.500 0.025 0.000 1.008 197 K HN 0.218 nan 8.250 nan 0.000 0.490 198 A N 2.026 124.879 122.820 0.056 0.000 2.520 198 A HA 0.622 4.942 4.320 -0.000 0.000 0.298 198 A C -0.942 176.677 177.584 0.058 0.000 1.051 198 A CA -0.796 51.302 52.037 0.101 0.000 0.690 198 A CB 0.930 20.012 19.000 0.137 0.000 1.281 198 A HN 0.612 nan 8.150 nan 0.000 0.402 199 I N 0.713 121.344 120.570 0.101 0.000 2.693 199 I HA 0.771 4.941 4.170 -0.000 0.000 0.303 199 I C 0.351 176.526 176.117 0.096 0.000 1.025 199 I CA -0.750 60.584 61.300 0.055 0.000 1.086 199 I CB 2.253 40.275 38.000 0.037 0.000 1.268 199 I HN 0.818 nan 8.210 nan 0.000 0.440 200 A N 3.944 126.790 122.820 0.042 0.000 2.515 200 A HA 0.868 5.187 4.320 -0.000 0.000 0.298 200 A C -1.044 176.527 177.584 -0.022 0.000 1.059 200 A CA -0.568 51.498 52.037 0.049 0.000 0.698 200 A CB 1.749 20.778 19.000 0.050 0.000 1.289 200 A HN 0.461 nan 8.150 nan 0.000 0.404 201 V N -0.165 119.711 119.914 -0.062 0.000 2.864 201 V HA 0.921 5.041 4.120 -0.000 0.000 0.314 201 V C -0.240 175.779 176.094 -0.126 0.000 1.073 201 V CA -0.678 61.566 62.300 -0.093 0.000 0.956 201 V CB 1.300 33.066 31.823 -0.095 0.000 1.023 201 V HN 1.353 nan 8.190 nan 0.000 0.435 202 M N 1.441 120.953 119.600 -0.146 0.000 2.520 202 M HA 0.819 5.299 4.480 -0.000 0.000 0.280 202 M C -0.887 175.306 176.300 -0.178 0.000 1.232 202 M CA -0.383 54.803 55.300 -0.188 0.000 0.892 202 M CB 2.598 35.026 32.600 -0.288 0.000 1.728 202 M HN 0.727 nan 8.290 nan 0.000 0.475 203 T N -0.487 113.968 114.554 -0.165 0.000 2.792 203 T HA 0.717 5.067 4.350 -0.000 0.000 0.280 203 T C -0.677 173.932 174.700 -0.151 0.000 0.990 203 T CA -0.614 61.409 62.100 -0.129 0.000 0.960 203 T CB 1.524 70.341 68.868 -0.085 0.000 0.939 203 T HN 0.800 nan 8.240 nan 0.000 0.439 204 S N 1.992 117.610 115.700 -0.136 0.000 2.599 204 S HA 0.895 5.364 4.470 -0.000 0.000 0.294 204 S C 0.500 175.083 174.600 -0.028 0.000 1.094 204 S CA 0.652 58.787 58.200 -0.108 0.000 0.931 204 S CB 0.855 63.954 63.200 -0.167 0.000 1.093 204 S HN 2.136 nan 8.310 nan 0.000 0.488 205 G N 1.426 110.230 108.800 0.007 0.000 2.681 205 G HA2 0.106 4.066 3.960 -0.000 0.000 0.220 205 G HA3 0.106 4.066 3.960 -0.000 0.000 0.220 205 G C 0.258 175.164 174.900 0.010 0.000 1.353 205 G CA -0.313 44.799 45.100 0.021 0.000 0.872 205 G HN 1.487 nan 8.290 nan 0.000 0.557 206 G N 0.639 109.449 108.800 0.016 0.000 2.340 206 G HA2 0.497 4.457 3.960 -0.000 0.000 0.245 206 G HA3 0.497 4.457 3.960 -0.000 0.000 0.245 206 G C 0.430 175.334 174.900 0.006 0.000 1.294 206 G CA 0.975 46.087 45.100 0.020 0.000 0.896 206 G HN 1.156 nan 8.290 nan 0.000 0.522 207 D N 0.605 121.008 120.400 0.005 0.000 2.360 207 D HA 0.499 5.139 4.640 -0.000 0.000 0.242 207 D C 0.002 176.301 176.300 -0.002 0.000 1.184 207 D CA 0.004 53.998 54.000 -0.010 0.000 0.930 207 D CB 1.579 42.367 40.800 -0.019 0.000 1.161 207 D HN 0.620 nan 8.370 nan 0.000 0.447 208 A N 0.945 123.759 122.820 -0.010 0.000 2.547 208 A HA 0.550 4.870 4.320 -0.000 0.000 0.297 208 A C -2.898 174.683 177.584 -0.005 0.000 1.056 208 A CA -1.558 50.477 52.037 -0.003 0.000 0.688 208 A CB 1.537 20.534 19.000 -0.005 0.000 1.282 208 A HN 0.386 nan 8.150 nan 0.000 0.400 209 P HA 0.305 nan 4.420 nan 0.000 0.258 209 P C 1.039 178.344 177.300 0.009 0.000 1.187 209 P CA 2.225 65.328 63.100 0.006 0.000 0.767 209 P CB 0.540 32.255 31.700 0.025 0.000 0.770 210 G N 2.947 111.745 108.800 -0.004 0.000 2.229 210 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.189 210 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.189 210 G C 1.005 175.901 174.900 -0.007 0.000 1.000 210 G CA 0.094 45.192 45.100 -0.003 0.000 0.663 210 G HN 0.407 nan 8.290 nan 0.000 0.493 211 M N 0.534 120.126 119.600 -0.013 0.000 2.159 211 M HA -0.041 4.438 4.480 -0.000 0.000 0.263 211 M C 2.364 178.675 176.300 0.019 0.000 1.063 211 M CA 1.640 56.933 55.300 -0.011 0.000 1.110 211 M CB -0.458 32.126 32.600 -0.027 0.000 1.374 211 M HN 0.234 nan 8.290 nan 0.000 0.411 212 N N 0.393 119.103 118.700 0.017 0.000 2.120 212 N HA -0.095 4.645 4.740 -0.000 0.000 0.188 212 N C 1.776 177.384 175.510 0.162 0.000 1.024 212 N CA 1.556 54.667 53.050 0.102 0.000 0.852 212 N CB -0.381 38.089 38.487 -0.028 0.000 1.003 212 N HN 0.258 nan 8.380 nan 0.000 0.424 213 S N 0.973 116.715 115.700 0.070 0.000 2.382 213 S HA -0.114 4.356 4.470 -0.000 0.000 0.228 213 S C 1.741 176.349 174.600 0.013 0.000 1.027 213 S CA 0.945 59.168 58.200 0.039 0.000 0.991 213 S CB -0.312 62.889 63.200 0.001 0.000 0.823 213 S HN 0.403 nan 8.310 nan 0.000 0.469 214 N N 1.412 120.118 118.700 0.010 0.000 2.039 214 N HA -0.075 4.665 4.740 -0.000 0.000 0.193 214 N C 1.580 177.085 175.510 -0.008 0.000 1.044 214 N CA 1.415 54.458 53.050 -0.011 0.000 0.847 214 N CB -0.556 37.922 38.487 -0.016 0.000 1.030 214 N HN 0.146 nan 8.380 nan 0.000 0.422 215 V N 1.443 121.378 119.914 0.035 0.000 2.282 215 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 215 V C 2.626 178.699 176.094 -0.035 0.000 1.057 215 V CA 1.886 64.204 62.300 0.031 0.000 1.032 215 V CB -0.682 31.242 31.823 0.168 0.000 0.645 215 V HN 0.411 nan 8.190 nan 0.000 0.447 216 R N 0.234 120.735 120.500 0.001 0.000 2.083 216 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 216 R C 2.250 178.431 176.300 -0.198 0.000 1.137 216 R CA 2.005 58.017 56.100 -0.147 0.000 0.951 216 R CB -0.468 29.795 30.300 -0.061 0.000 0.851 216 R HN 0.501 nan 8.270 nan 0.000 0.434 217 A N 0.939 123.681 122.820 -0.130 0.000 1.930 217 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 217 A C 2.260 179.769 177.584 -0.125 0.000 1.175 217 A CA 1.070 53.023 52.037 -0.139 0.000 0.627 217 A CB -0.387 18.555 19.000 -0.096 0.000 0.815 217 A HN 0.338 nan 8.150 nan 0.000 0.443 218 I N -0.430 120.083 120.570 -0.096 0.000 2.163 218 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 218 I C 2.387 178.450 176.117 -0.090 0.000 1.085 218 I CA 1.280 62.535 61.300 -0.074 0.000 1.347 218 I CB -0.353 37.610 38.000 -0.063 0.000 1.044 218 I HN 0.160 nan 8.210 nan 0.000 0.408 219 V N 0.756 120.586 119.914 -0.140 0.000 2.255 219 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 219 V C 2.664 178.649 176.094 -0.181 0.000 1.051 219 V CA 1.768 63.976 62.300 -0.154 0.000 1.018 219 V CB -0.758 30.944 31.823 -0.202 0.000 0.641 219 V HN 0.358 nan 8.190 nan 0.000 0.445 220 R N 0.226 120.527 120.500 -0.332 0.000 2.070 220 R HA -0.093 4.247 4.340 -0.000 0.000 0.233 220 R C 2.559 178.794 176.300 -0.108 0.000 1.137 220 R CA 1.749 57.546 56.100 -0.506 0.000 0.945 220 R CB -1.228 28.599 30.300 -0.789 0.000 0.845 220 R HN 0.528 nan 8.270 nan 0.000 0.430 221 S N 1.242 116.906 115.700 -0.059 0.000 2.374 221 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 221 S C 2.092 176.783 174.600 0.153 0.000 1.037 221 S CA 1.420 59.668 58.200 0.080 0.000 1.024 221 S CB -0.322 62.895 63.200 0.027 0.000 0.861 221 S HN 0.505 nan 8.310 nan 0.000 0.456 222 A N 1.756 124.622 122.820 0.077 0.000 1.851 222 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 222 A C 2.093 179.759 177.584 0.137 0.000 1.195 222 A CA 1.498 53.587 52.037 0.087 0.000 0.622 222 A CB -0.872 18.159 19.000 0.052 0.000 0.831 222 A HN 0.484 nan 8.150 nan 0.000 0.444 223 I N -1.786 118.884 120.570 0.168 0.000 2.335 223 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 223 I C 2.363 178.663 176.117 0.306 0.000 1.129 223 I CA 1.535 62.984 61.300 0.247 0.000 1.402 223 I CB -0.369 37.851 38.000 0.367 0.000 1.069 223 I HN 0.446 nan 8.210 nan 0.000 0.424 224 F N 2.233 122.318 119.950 0.225 0.000 2.102 224 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 224 F C 2.381 178.211 175.800 0.050 0.000 1.105 224 F CA 1.626 59.728 58.000 0.170 0.000 1.239 224 F CB -0.210 38.891 39.000 0.167 0.000 0.991 224 F HN -0.166 nan 8.300 nan 0.000 0.474 225 K N 0.211 120.652 120.400 0.068 0.000 2.362 225 K HA 0.072 4.392 4.320 -0.000 0.000 0.200 225 K C 1.583 178.136 176.600 -0.078 0.000 1.046 225 K CA 1.013 57.269 56.287 -0.053 0.000 0.952 225 K CB -0.765 31.765 32.500 0.050 0.000 0.753 225 K HN 0.541 nan 8.250 nan 0.000 0.466 226 G N 0.481 109.262 108.800 -0.032 0.000 2.168 226 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.197 226 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.197 226 G C 0.367 175.284 174.900 0.028 0.000 0.997 226 G CA -0.085 45.002 45.100 -0.022 0.000 0.658 226 G HN 0.254 nan 8.290 nan 0.000 0.513 227 C N 0.774 120.107 119.300 0.055 0.000 2.345 227 C HA 0.809 5.269 4.460 -0.000 0.000 0.369 227 C C 1.033 176.087 174.990 0.107 0.000 1.273 227 C CA -0.808 58.256 59.018 0.076 0.000 2.310 227 C CB 0.830 28.613 27.740 0.073 0.000 2.219 227 C HN 0.502 nan 8.230 nan 0.000 0.587 228 R N 0.690 121.276 120.500 0.143 0.000 2.428 228 R HA 0.612 4.952 4.340 -0.000 0.000 0.294 228 R C -0.452 175.956 176.300 0.181 0.000 1.000 228 R CA -0.075 56.125 56.100 0.167 0.000 0.960 228 R CB 1.121 31.576 30.300 0.259 0.000 1.076 228 R HN 0.835 nan 8.270 nan 0.000 0.475 229 A N 3.131 125.978 122.820 0.046 0.000 2.301 229 A HA 0.665 4.985 4.320 -0.000 0.000 0.312 229 A C -1.001 176.493 177.584 -0.150 0.000 1.182 229 A CA -0.286 51.755 52.037 0.006 0.000 0.826 229 A CB 0.377 19.354 19.000 -0.040 0.000 1.134 229 A HN 0.580 nan 8.150 nan 0.000 0.501 230 F N 0.889 120.784 119.950 -0.091 0.000 2.576 230 F HA 0.574 5.100 4.527 -0.000 0.000 0.313 230 F C -0.130 175.522 175.800 -0.248 0.000 1.078 230 F CA -0.538 57.384 58.000 -0.130 0.000 0.921 230 F CB 2.576 41.537 39.000 -0.064 0.000 1.232 230 F HN 0.349 nan 8.300 nan 0.000 0.459 231 V N 3.250 123.036 119.914 -0.213 0.000 2.604 231 V HA 0.556 4.676 4.120 -0.000 0.000 0.305 231 V C -1.026 174.970 176.094 -0.162 0.000 1.043 231 V CA -0.853 61.225 62.300 -0.371 0.000 0.888 231 V CB 2.257 33.482 31.823 -0.996 0.000 0.995 231 V HN 0.467 nan 8.190 nan 0.000 0.429 232 V N 5.900 125.736 119.914 -0.130 0.000 2.357 232 V HA 0.426 4.546 4.120 -0.000 0.000 0.284 232 V C 0.186 176.226 176.094 -0.089 0.000 1.018 232 V CA -0.611 61.648 62.300 -0.069 0.000 0.841 232 V CB 1.510 33.283 31.823 -0.082 0.000 0.991 232 V HN 0.727 nan 8.190 nan 0.000 0.437 233 M N 3.218 122.783 119.600 -0.059 0.000 2.241 233 M HA 0.334 4.814 4.480 -0.000 0.000 0.335 233 M C 0.867 177.164 176.300 -0.006 0.000 1.122 233 M CA 0.021 55.264 55.300 -0.095 0.000 1.164 233 M CB 0.072 32.515 32.600 -0.262 0.000 1.459 233 M HN 0.639 nan 8.290 nan 0.000 0.461 234 E N 0.814 120.996 120.200 -0.030 0.000 2.403 234 E HA -0.207 4.143 4.350 -0.000 0.000 0.241 234 E C 0.807 177.402 176.600 -0.008 0.000 1.201 234 E CA 1.216 57.627 56.400 0.018 0.000 0.721 234 E CB -2.190 27.588 29.700 0.131 0.000 1.245 234 E HN 1.102 nan 8.360 nan 0.000 0.392 235 G N -0.333 108.409 108.800 -0.096 0.000 2.566 235 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.280 235 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.280 235 G C 0.573 175.304 174.900 -0.282 0.000 1.225 235 G CA 0.440 45.410 45.100 -0.216 0.000 0.966 235 G HN 0.207 nan 8.290 nan 0.000 0.560 236 Y N 1.025 121.197 120.300 -0.213 0.000 2.274 236 Y HA -0.024 4.526 4.550 -0.000 0.000 0.290 236 Y C 2.914 178.691 175.900 -0.206 0.000 1.145 236 Y CA 2.083 59.944 58.100 -0.398 0.000 1.203 236 Y CB -0.289 37.797 38.460 -0.624 0.000 0.984 236 Y HN 0.694 nan 8.280 nan 0.000 0.533 237 E N 0.011 120.245 120.200 0.056 0.000 2.097 237 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 237 E C 2.505 179.118 176.600 0.022 0.000 1.000 237 E CA 1.290 57.727 56.400 0.061 0.000 0.804 237 E CB -0.561 29.177 29.700 0.064 0.000 0.740 237 E HN 0.540 nan 8.360 nan 0.000 0.454 238 G N 1.186 110.029 108.800 0.071 0.000 2.485 238 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.221 238 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.221 238 G C 1.599 176.526 174.900 0.045 0.000 1.115 238 G CA 0.637 45.832 45.100 0.159 0.000 0.751 238 G HN 0.222 nan 8.290 nan 0.000 0.567 239 L N -0.006 121.235 121.223 0.031 0.000 2.072 239 L HA -0.035 4.305 4.340 -0.000 0.000 0.205 239 L C 2.987 180.002 176.870 0.242 0.000 1.079 239 L CA 0.358 55.266 54.840 0.112 0.000 0.752 239 L CB -0.399 41.683 42.059 0.037 0.000 0.906 239 L HN 0.106 nan 8.230 nan 0.000 0.436 240 V N -0.282 119.755 119.914 0.206 0.000 2.261 240 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 240 V C 1.549 177.703 176.094 0.100 0.000 1.047 240 V CA 1.350 63.782 62.300 0.221 0.000 1.015 240 V CB -0.606 31.308 31.823 0.152 0.000 0.642 240 V HN 0.388 nan 8.190 nan 0.000 0.446 241 R N -0.289 120.113 120.500 -0.162 0.000 2.707 241 R HA 0.478 4.818 4.340 -0.000 0.000 0.270 241 R C 0.312 176.250 176.300 -0.603 0.000 1.083 241 R CA 0.575 56.422 56.100 -0.421 0.000 1.182 241 R CB 0.346 30.139 30.300 -0.845 0.000 1.084 241 R HN 0.459 nan 8.270 nan 0.000 0.528 242 G N -1.115 107.247 108.800 -0.730 0.000 3.003 242 G HA2 0.500 4.460 3.960 -0.000 0.000 0.243 242 G HA3 0.500 4.460 3.960 -0.000 0.000 0.243 242 G C -0.222 174.544 174.900 -0.222 0.000 1.176 242 G CA -0.282 44.352 45.100 -0.778 0.000 0.812 242 G HN 0.815 nan 8.290 nan 0.000 0.584 243 G N 0.289 109.036 108.800 -0.089 0.000 2.649 243 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.281 243 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.281 243 G C -1.707 173.262 174.900 0.115 0.000 1.325 243 G CA 0.270 45.409 45.100 0.065 0.000 0.916 243 G HN 0.758 nan 8.290 nan 0.000 0.562 244 P HA 0.227 nan 4.420 nan 0.000 0.274 244 P C 0.548 177.934 177.300 0.142 0.000 1.264 244 P CA 1.177 64.364 63.100 0.144 0.000 0.795 244 P CB 0.794 32.567 31.700 0.122 0.000 1.064 245 E N -1.181 119.080 120.200 0.101 0.000 4.798 245 E HA -0.291 4.059 4.350 -0.000 0.000 0.165 245 E C 0.540 177.097 176.600 -0.071 0.000 1.032 245 E CA 1.658 58.081 56.400 0.038 0.000 2.424 245 E CB -2.288 27.480 29.700 0.114 0.000 1.697 245 E HN 0.548 nan 8.360 nan 0.000 0.529 246 Y N -0.715 119.593 120.300 0.013 0.000 2.535 246 Y HA 0.519 5.068 4.550 -0.000 0.000 0.264 246 Y C 0.790 176.692 175.900 0.003 0.000 1.087 246 Y CA 0.715 58.809 58.100 -0.010 0.000 1.285 246 Y CB 0.953 39.385 38.460 -0.045 0.000 1.200 246 Y HN 0.018 nan 8.280 nan 0.000 0.514 247 I N 1.313 121.994 120.570 0.184 0.000 2.782 247 I HA 0.171 4.341 4.170 -0.000 0.000 0.279 247 I C -0.592 175.703 176.117 0.296 0.000 1.247 247 I CA -0.402 61.014 61.300 0.193 0.000 1.062 247 I CB 0.693 38.789 38.000 0.160 0.000 1.421 247 I HN -0.146 nan 8.210 nan 0.000 0.558 248 K N 4.205 124.712 120.400 0.178 0.000 2.234 248 K HA 0.254 4.574 4.320 -0.000 0.000 0.282 248 K C 0.078 176.600 176.600 -0.130 0.000 1.039 248 K CA -0.395 55.952 56.287 0.100 0.000 0.928 248 K CB 1.253 33.811 32.500 0.097 0.000 1.039 248 K HN 0.385 nan 8.250 nan 0.000 0.470 249 E N 3.948 123.890 120.200 -0.430 0.000 2.316 249 E HA 0.077 4.427 4.350 -0.000 0.000 0.275 249 E C -1.138 175.194 176.600 -0.446 0.000 1.029 249 E CA -0.434 55.331 56.400 -1.058 0.000 0.871 249 E CB 0.477 29.526 29.700 -1.086 0.000 1.022 249 E HN 0.286 nan 8.360 nan 0.000 0.418 250 F N 2.834 122.356 119.950 -0.713 0.000 2.470 250 F HA 0.375 4.902 4.527 -0.000 0.000 0.329 250 F C 0.349 175.776 175.800 -0.621 0.000 1.072 250 F CA -0.653 57.013 58.000 -0.557 0.000 0.989 250 F CB 1.348 40.121 39.000 -0.378 0.000 1.193 250 F HN 0.504 nan 8.300 nan 0.000 0.481 251 H N 1.299 120.316 119.070 -0.088 0.000 2.679 251 H HA 0.011 4.567 4.556 -0.000 0.000 0.367 251 H C 0.834 176.149 175.328 -0.020 0.000 1.162 251 H CA -0.876 55.155 56.048 -0.028 0.000 1.181 251 H CB 1.351 31.093 29.762 -0.032 0.000 1.693 251 H HN 0.768 nan 8.280 nan 0.000 0.538 252 W N 2.740 124.071 121.300 0.051 0.000 2.269 252 W HA -0.326 4.334 4.660 -0.000 0.000 0.336 252 W C 1.430 177.900 176.519 -0.081 0.000 1.333 252 W CA 2.997 60.334 57.345 -0.013 0.000 1.299 252 W CB -0.001 29.471 29.460 0.020 0.000 1.126 252 W HN 0.849 nan 8.180 nan 0.000 0.474 253 E N -0.682 119.654 120.200 0.226 0.000 2.409 253 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 253 E C 1.349 177.836 176.600 -0.188 0.000 1.024 253 E CA 1.463 57.919 56.400 0.094 0.000 0.861 253 E CB -0.649 29.211 29.700 0.267 0.000 0.788 253 E HN 0.138 nan 8.360 nan 0.000 0.521 254 D N 1.106 121.304 120.400 -0.336 0.000 2.269 254 D HA -0.090 4.550 4.640 -0.000 0.000 0.208 254 D C 1.761 177.551 176.300 -0.850 0.000 0.963 254 D CA 1.361 54.974 54.000 -0.645 0.000 0.864 254 D CB 0.430 40.499 40.800 -1.219 0.000 0.936 254 D HN 0.349 nan 8.370 nan 0.000 0.505 255 V N -0.901 118.461 119.914 -0.921 0.000 3.542 255 V HA 0.181 4.300 4.120 -0.000 0.000 0.296 255 V C 0.874 176.427 176.094 -0.903 0.000 1.364 255 V CA -0.627 60.720 62.300 -1.588 0.000 1.118 255 V CB -0.751 30.396 31.823 -1.127 0.000 0.972 255 V HN -0.070 nan 8.190 nan 0.000 0.430 256 R N 1.678 121.886 120.500 -0.487 0.000 2.494 256 R HA 0.256 4.596 4.340 -0.000 0.000 0.291 256 R C 1.296 177.586 176.300 -0.017 0.000 0.953 256 R CA 1.324 57.279 56.100 -0.242 0.000 1.098 256 R CB -0.258 29.849 30.300 -0.322 0.000 0.911 256 R HN 0.935 nan 8.270 nan 0.000 0.407 257 G N 3.793 112.598 108.800 0.009 0.000 2.189 257 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.267 257 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.267 257 G C 0.337 175.357 174.900 0.201 0.000 0.975 257 G CA 0.420 45.566 45.100 0.078 0.000 0.644 257 G HN 0.795 nan 8.290 nan 0.000 0.537 258 W N 1.079 122.321 121.300 -0.098 0.000 2.350 258 W HA 0.090 4.750 4.660 -0.000 0.000 0.289 258 W C 2.597 179.075 176.519 -0.068 0.000 1.215 258 W CA 1.264 58.563 57.345 -0.076 0.000 1.236 258 W CB -1.041 28.377 29.460 -0.069 0.000 1.130 258 W HN 0.324 nan 8.180 nan 0.000 0.541 259 S N -0.454 115.337 115.700 0.151 0.000 2.465 259 S HA -0.063 4.407 4.470 -0.000 0.000 0.241 259 S C 1.612 176.225 174.600 0.021 0.000 1.000 259 S CA 1.170 59.405 58.200 0.058 0.000 0.964 259 S CB -0.325 62.885 63.200 0.017 0.000 0.763 259 S HN 0.154 nan 8.310 nan 0.000 0.512 260 A N 0.538 123.366 122.820 0.014 0.000 2.545 260 A HA 0.385 4.705 4.320 -0.000 0.000 0.277 260 A C 0.029 177.586 177.584 -0.046 0.000 1.301 260 A CA -0.395 51.633 52.037 -0.015 0.000 0.935 260 A CB 0.240 19.230 19.000 -0.017 0.000 1.093 260 A HN 0.440 nan 8.150 nan 0.000 0.519 261 E N -0.439 119.716 120.200 -0.075 0.000 2.266 261 E HA 0.506 4.856 4.350 -0.000 0.000 0.268 261 E C 0.313 176.838 176.600 -0.124 0.000 0.879 261 E CA -0.818 55.504 56.400 -0.129 0.000 0.762 261 E CB 1.799 31.356 29.700 -0.237 0.000 1.199 261 E HN 0.308 nan 8.360 nan 0.000 0.422 262 G N 0.864 109.599 108.800 -0.108 0.000 2.621 262 G HA2 0.461 4.420 3.960 -0.000 0.000 0.271 262 G HA3 0.461 4.420 3.960 -0.000 0.000 0.271 262 G C 0.564 175.397 174.900 -0.112 0.000 1.236 262 G CA 0.148 45.197 45.100 -0.086 0.000 0.958 262 G HN 0.713 nan 8.290 nan 0.000 0.512 263 G N -1.217 107.536 108.800 -0.079 0.000 2.574 263 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.295 263 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.295 263 G C 0.112 174.944 174.900 -0.113 0.000 1.300 263 G CA 0.516 45.567 45.100 -0.083 0.000 0.944 263 G HN 1.345 nan 8.290 nan 0.000 0.551 264 T N 1.283 115.765 114.554 -0.120 0.000 2.772 264 T HA 0.463 4.813 4.350 -0.000 0.000 0.288 264 T C 1.160 175.739 174.700 -0.202 0.000 0.994 264 T CA -0.340 61.678 62.100 -0.136 0.000 0.951 264 T CB 1.448 70.261 68.868 -0.092 0.000 0.933 264 T HN 0.496 nan 8.240 nan 0.000 0.447 265 N N 2.072 120.564 118.700 -0.347 0.000 2.381 265 N HA -0.023 4.717 4.740 -0.000 0.000 0.182 265 N C 1.673 177.079 175.510 -0.173 0.000 1.025 265 N CA 0.594 53.381 53.050 -0.437 0.000 0.888 265 N CB -0.084 37.720 38.487 -1.139 0.000 0.965 265 N HN 0.792 nan 8.380 nan 0.000 0.438 266 I N -3.439 117.082 120.570 -0.080 0.000 3.793 266 I HA 0.317 4.487 4.170 -0.000 0.000 0.315 266 I C 0.790 176.860 176.117 -0.078 0.000 1.275 266 I CA -0.110 61.166 61.300 -0.040 0.000 1.214 266 I CB -0.444 37.531 38.000 -0.041 0.000 1.018 266 I HN -0.070 nan 8.210 nan 0.000 0.439 267 G N 1.539 110.287 108.800 -0.087 0.000 2.860 267 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.553 267 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.553 267 G C -0.276 174.583 174.900 -0.069 0.000 1.439 267 G CA -0.006 45.048 45.100 -0.076 0.000 0.879 267 G HN 0.634 nan 8.290 nan 0.000 0.545 268 T N -0.936 113.586 114.554 -0.052 0.000 3.172 268 T HA 0.836 5.186 4.350 -0.000 0.000 0.320 268 T C -0.075 174.614 174.700 -0.019 0.000 1.085 268 T CA 0.948 63.019 62.100 -0.047 0.000 1.052 268 T CB 0.845 69.684 68.868 -0.048 0.000 1.107 268 T HN 2.405 nan 8.240 nan 0.000 0.458 269 A N 3.872 126.690 122.820 -0.004 0.000 2.386 269 A HA 0.876 5.196 4.320 -0.000 0.000 0.308 269 A C -0.220 177.388 177.584 0.039 0.000 1.128 269 A CA -0.986 51.064 52.037 0.022 0.000 0.789 269 A CB 1.422 20.446 19.000 0.040 0.000 1.325 269 A HN 0.917 nan 8.150 nan 0.000 0.437 270 R N 0.419 120.944 120.500 0.041 0.000 2.347 270 R HA 0.311 4.651 4.340 -0.000 0.000 0.304 270 R C -0.170 176.171 176.300 0.067 0.000 1.072 270 R CA -0.115 56.016 56.100 0.051 0.000 0.980 270 R CB -0.273 30.050 30.300 0.038 0.000 0.986 270 R HN 0.867 nan 8.270 nan 0.000 0.448 271 C N 5.654 125.007 119.300 0.089 0.000 2.464 271 C HA 0.339 4.798 4.460 -0.000 0.000 0.370 271 C C 1.162 176.203 174.990 0.086 0.000 1.267 271 C CA -0.759 58.324 59.018 0.108 0.000 1.781 271 C CB -0.482 27.338 27.740 0.135 0.000 2.431 271 C HN 0.944 nan 8.230 nan 0.000 0.556 272 M N 1.854 121.503 119.600 0.082 0.000 2.508 272 M HA 0.103 4.583 4.480 -0.000 0.000 0.238 272 M C 2.046 178.385 176.300 0.064 0.000 1.210 272 M CA 0.852 56.187 55.300 0.058 0.000 1.231 272 M CB -0.574 32.052 32.600 0.043 0.000 1.201 272 M HN 0.690 nan 8.290 nan 0.000 0.491 273 E N 1.186 121.429 120.200 0.072 0.000 2.130 273 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 273 E C 1.581 178.224 176.600 0.073 0.000 0.998 273 E CA 1.503 57.942 56.400 0.064 0.000 0.806 273 E CB -0.887 28.857 29.700 0.073 0.000 0.738 273 E HN 0.357 nan 8.360 nan 0.000 0.459 274 F N 1.286 121.217 119.950 -0.031 0.000 2.641 274 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 274 F C 1.507 177.253 175.800 -0.090 0.000 1.146 274 F CA 0.842 58.796 58.000 -0.076 0.000 1.464 274 F CB 0.239 39.155 39.000 -0.141 0.000 1.101 274 F HN -0.152 nan 8.300 nan 0.000 0.585 275 K N 0.710 121.106 120.400 -0.007 0.000 2.031 275 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 275 K C 0.731 177.270 176.600 -0.101 0.000 1.049 275 K CA 0.817 57.077 56.287 -0.046 0.000 0.939 275 K CB -0.392 32.103 32.500 -0.007 0.000 0.717 275 K HN 0.233 nan 8.250 nan 0.000 0.438 276 K N 1.044 121.390 120.400 -0.089 0.000 2.319 276 K HA 0.042 4.362 4.320 -0.000 0.000 0.265 276 K C 1.265 177.779 176.600 -0.144 0.000 1.000 276 K CA -0.040 56.193 56.287 -0.090 0.000 0.943 276 K CB 0.683 33.150 32.500 -0.056 0.000 0.950 276 K HN -0.072 nan 8.250 nan 0.000 0.485 277 R N 1.678 122.111 120.500 -0.112 0.000 2.092 277 R HA -0.189 4.151 4.340 -0.000 0.000 0.231 277 R C 1.825 178.054 176.300 -0.118 0.000 1.119 277 R CA 1.760 57.787 56.100 -0.121 0.000 0.970 277 R CB -0.048 30.203 30.300 -0.081 0.000 0.864 277 R HN 0.655 nan 8.270 nan 0.000 0.440 278 E N -0.211 119.937 120.200 -0.087 0.000 2.153 278 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 278 E C 1.702 178.260 176.600 -0.069 0.000 0.988 278 E CA 1.803 58.162 56.400 -0.068 0.000 0.811 278 E CB -0.634 29.040 29.700 -0.044 0.000 0.746 278 E HN 0.456 nan 8.360 nan 0.000 0.466 279 G N 0.414 109.159 108.800 -0.092 0.000 2.414 279 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.215 279 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.215 279 G C 1.678 176.483 174.900 -0.158 0.000 1.188 279 G CA 0.773 45.832 45.100 -0.068 0.000 0.783 279 G HN 0.240 nan 8.290 nan 0.000 0.537 280 R N -0.571 119.655 120.500 -0.458 0.000 2.120 280 R HA 0.036 4.376 4.340 -0.000 0.000 0.234 280 R C 2.535 178.824 176.300 -0.019 0.000 1.123 280 R CA 0.700 56.476 56.100 -0.539 0.000 0.975 280 R CB -0.398 29.578 30.300 -0.540 0.000 0.866 280 R HN 0.293 nan 8.270 nan 0.000 0.446 281 L N 0.561 121.743 121.223 -0.068 0.000 2.005 281 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 281 L C 2.174 179.014 176.870 -0.050 0.000 1.072 281 L CA 1.486 56.292 54.840 -0.057 0.000 0.744 281 L CB -0.290 41.718 42.059 -0.086 0.000 0.895 281 L HN 0.152 nan 8.230 nan 0.000 0.433 282 L N -1.167 120.026 121.223 -0.049 0.000 2.043 282 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 282 L C 2.515 179.364 176.870 -0.036 0.000 1.075 282 L CA 1.462 56.229 54.840 -0.122 0.000 0.752 282 L CB -1.377 40.698 42.059 0.026 0.000 0.891 282 L HN 0.463 nan 8.230 nan 0.000 0.432 283 G N -0.415 108.528 108.800 0.237 0.000 2.491 283 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.218 283 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.218 283 G C 1.733 176.901 174.900 0.447 0.000 1.180 283 G CA 1.026 46.380 45.100 0.423 0.000 0.774 283 G HN 0.506 nan 8.290 nan 0.000 0.562 284 A N -0.014 123.081 122.820 0.458 0.000 1.908 284 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 284 A C 2.305 179.884 177.584 -0.009 0.000 1.181 284 A CA 2.155 54.316 52.037 0.206 0.000 0.627 284 A CB -0.577 18.213 19.000 -0.349 0.000 0.818 284 A HN 0.499 nan 8.150 nan 0.000 0.445 285 Q N -1.094 118.638 119.800 -0.113 0.000 2.002 285 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 285 Q C 2.066 178.027 176.000 -0.066 0.000 0.988 285 Q CA 1.894 57.595 55.803 -0.171 0.000 0.843 285 Q CB -0.317 28.235 28.738 -0.309 0.000 0.908 285 Q HN 0.802 nan 8.270 nan 0.000 0.420 286 H N -0.032 119.091 119.070 0.087 0.000 2.353 286 H HA -0.168 4.388 4.556 -0.000 0.000 0.298 286 H C 2.170 177.553 175.328 0.091 0.000 1.103 286 H CA 1.223 57.322 56.048 0.086 0.000 1.293 286 H CB -0.251 29.567 29.762 0.092 0.000 1.372 286 H HN 0.240 nan 8.280 nan 0.000 0.501 287 L N 0.739 122.125 121.223 0.273 0.000 1.994 287 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 287 L C 2.799 179.759 176.870 0.149 0.000 1.071 287 L CA 1.227 56.197 54.840 0.217 0.000 0.745 287 L CB -1.293 41.000 42.059 0.390 0.000 0.892 287 L HN 0.218 nan 8.230 nan 0.000 0.431 288 I N -0.328 120.362 120.570 0.201 0.000 2.208 288 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 288 I C 2.366 178.521 176.117 0.064 0.000 1.097 288 I CA 1.229 62.608 61.300 0.132 0.000 1.363 288 I CB -0.320 37.723 38.000 0.072 0.000 1.051 288 I HN 0.380 nan 8.210 nan 0.000 0.413 289 E N 0.889 121.129 120.200 0.066 0.000 2.160 289 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 289 E C 2.109 178.735 176.600 0.042 0.000 0.991 289 E CA 1.317 57.755 56.400 0.064 0.000 0.810 289 E CB -0.186 29.576 29.700 0.104 0.000 0.742 289 E HN 0.561 nan 8.360 nan 0.000 0.466 290 A N 0.400 123.215 122.820 -0.008 0.000 2.218 290 A HA 0.280 4.600 4.320 -0.000 0.000 0.209 290 A C 1.730 179.167 177.584 -0.244 0.000 1.168 290 A CA 0.740 52.690 52.037 -0.146 0.000 0.804 290 A CB -0.072 18.733 19.000 -0.325 0.000 0.834 290 A HN 0.308 nan 8.150 nan 0.000 0.482 291 G N -1.300 107.430 108.800 -0.115 0.000 2.147 291 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.244 291 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.244 291 G C 0.000 174.819 174.900 -0.136 0.000 1.005 291 G CA 0.179 45.231 45.100 -0.079 0.000 0.713 291 G HN 0.813 nan 8.290 nan 0.000 0.515 292 V N 1.710 121.518 119.914 -0.178 0.000 2.333 292 V HA 0.506 4.626 4.120 -0.000 0.000 0.274 292 V C 0.455 176.519 176.094 -0.050 0.000 1.028 292 V CA 0.219 62.418 62.300 -0.169 0.000 0.851 292 V CB 1.626 33.288 31.823 -0.267 0.000 1.000 292 V HN 0.475 nan 8.190 nan 0.000 0.456 293 D N 3.184 123.539 120.400 -0.075 0.000 2.535 293 D HA 0.324 4.963 4.640 -0.000 0.000 0.229 293 D C 0.133 176.314 176.300 -0.198 0.000 1.238 293 D CA 0.010 53.919 54.000 -0.152 0.000 0.824 293 D CB 1.042 41.790 40.800 -0.087 0.000 1.045 293 D HN 0.477 nan 8.370 nan 0.000 0.500 294 A N 0.693 123.438 122.820 -0.124 0.000 2.357 294 A HA 0.609 4.929 4.320 -0.000 0.000 0.295 294 A C -1.589 175.955 177.584 -0.067 0.000 1.121 294 A CA -0.793 51.186 52.037 -0.097 0.000 0.742 294 A CB 1.128 20.097 19.000 -0.053 0.000 1.181 294 A HN 0.195 nan 8.150 nan 0.000 0.454 295 L N 3.668 124.853 121.223 -0.063 0.000 2.356 295 L HA 0.731 5.071 4.340 -0.000 0.000 0.277 295 L C -1.193 175.661 176.870 -0.026 0.000 0.996 295 L CA -0.329 54.494 54.840 -0.028 0.000 0.822 295 L CB 1.144 43.213 42.059 0.017 0.000 1.256 295 L HN 0.605 nan 8.230 nan 0.000 0.413 296 I N 5.938 126.486 120.570 -0.035 0.000 2.378 296 I HA 0.505 4.675 4.170 -0.000 0.000 0.291 296 I C -0.682 175.398 176.117 -0.061 0.000 0.992 296 I CA -0.894 60.384 61.300 -0.038 0.000 1.154 296 I CB 1.963 39.942 38.000 -0.036 0.000 1.315 296 I HN 0.494 nan 8.210 nan 0.000 0.448 297 V N 6.161 126.040 119.914 -0.057 0.000 2.604 297 V HA 0.565 4.684 4.120 -0.000 0.000 0.305 297 V C -0.980 175.076 176.094 -0.065 0.000 1.043 297 V CA -0.476 61.768 62.300 -0.094 0.000 0.888 297 V CB 1.710 33.454 31.823 -0.132 0.000 0.995 297 V HN 0.927 nan 8.190 nan 0.000 0.429 298 C N 6.179 125.433 119.300 -0.076 0.000 2.319 298 C HA 1.039 5.499 4.460 -0.000 0.000 0.323 298 C C 0.594 175.553 174.990 -0.052 0.000 1.277 298 C CA 0.823 59.809 59.018 -0.053 0.000 1.517 298 C CB -0.317 27.395 27.740 -0.047 0.000 2.206 298 C HN 1.806 nan 8.230 nan 0.000 0.486 299 G N 3.787 112.568 108.800 -0.032 0.000 2.392 299 G HA2 0.527 4.487 3.960 -0.000 0.000 0.260 299 G HA3 0.527 4.487 3.960 -0.000 0.000 0.260 299 G C -0.265 174.631 174.900 -0.007 0.000 1.226 299 G CA 0.066 45.153 45.100 -0.022 0.000 0.913 299 G HN 1.203 nan 8.290 nan 0.000 0.483 300 G N -0.829 107.975 108.800 0.005 0.000 2.572 300 G HA2 0.441 4.401 3.960 -0.000 0.000 0.261 300 G HA3 0.441 4.401 3.960 -0.000 0.000 0.261 300 G C 0.823 175.736 174.900 0.021 0.000 1.197 300 G CA 0.967 46.073 45.100 0.010 0.000 0.870 300 G HN 0.990 nan 8.290 nan 0.000 0.548 301 D N -0.248 120.161 120.400 0.016 0.000 2.133 301 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 301 D C 2.200 178.522 176.300 0.037 0.000 0.997 301 D CA 1.753 55.766 54.000 0.023 0.000 0.840 301 D CB -0.481 40.328 40.800 0.014 0.000 0.947 301 D HN 0.478 nan 8.370 nan 0.000 0.452 302 G N -0.159 108.663 108.800 0.037 0.000 2.513 302 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.219 302 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.219 302 G C 1.864 176.805 174.900 0.067 0.000 1.160 302 G CA 1.227 46.353 45.100 0.044 0.000 0.767 302 G HN 0.380 nan 8.290 nan 0.000 0.571 303 S N 0.202 115.956 115.700 0.091 0.000 2.402 303 S HA 0.069 4.538 4.470 -0.000 0.000 0.229 303 S C 2.299 176.998 174.600 0.164 0.000 1.021 303 S CA 0.561 58.864 58.200 0.171 0.000 0.974 303 S CB -0.150 63.139 63.200 0.148 0.000 0.800 303 S HN 0.325 nan 8.310 nan 0.000 0.484 304 L N 1.318 122.597 121.223 0.094 0.000 2.027 304 L HA -0.130 4.210 4.340 -0.000 0.000 0.206 304 L C 3.034 179.959 176.870 0.093 0.000 1.074 304 L CA 1.718 56.606 54.840 0.081 0.000 0.745 304 L CB -1.435 40.651 42.059 0.046 0.000 0.898 304 L HN 0.473 nan 8.230 nan 0.000 0.433 305 T N -2.798 111.802 114.554 0.076 0.000 2.746 305 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 305 T C 1.978 176.733 174.700 0.092 0.000 1.039 305 T CA 1.061 63.204 62.100 0.072 0.000 1.142 305 T CB -1.064 67.835 68.868 0.051 0.000 0.866 305 T HN 0.387 nan 8.240 nan 0.000 0.444 306 G N 1.542 110.390 108.800 0.079 0.000 2.505 306 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.220 306 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.220 306 G C 1.924 176.911 174.900 0.146 0.000 1.145 306 G CA 1.173 46.294 45.100 0.035 0.000 0.761 306 G HN 0.805 nan 8.290 nan 0.000 0.571 307 A N 0.566 123.523 122.820 0.229 0.000 1.873 307 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 307 A C 2.120 179.872 177.584 0.280 0.000 1.186 307 A CA 2.027 54.249 52.037 0.308 0.000 0.616 307 A CB -0.632 18.508 19.000 0.233 0.000 0.823 307 A HN 0.408 nan 8.150 nan 0.000 0.442 308 D N 0.117 120.623 120.400 0.176 0.000 2.087 308 D HA -0.166 4.474 4.640 -0.000 0.000 0.192 308 D C 2.017 178.408 176.300 0.151 0.000 0.993 308 D CA 1.611 55.688 54.000 0.129 0.000 0.828 308 D CB -0.155 40.695 40.800 0.084 0.000 0.968 308 D HN 0.421 nan 8.370 nan 0.000 0.448 309 L N -0.043 121.275 121.223 0.159 0.000 1.997 309 L HA -0.229 4.111 4.340 -0.000 0.000 0.216 309 L C 2.706 179.714 176.870 0.230 0.000 1.074 309 L CA 1.318 56.251 54.840 0.155 0.000 0.763 309 L CB -0.793 41.346 42.059 0.134 0.000 0.890 309 L HN 0.111 nan 8.230 nan 0.000 0.434 310 F N 0.953 120.998 119.950 0.157 0.000 2.087 310 F HA -0.290 4.237 4.527 -0.000 0.000 0.299 310 F C 2.854 178.796 175.800 0.236 0.000 1.100 310 F CA 1.880 60.023 58.000 0.238 0.000 1.226 310 F CB -0.516 38.705 39.000 0.367 0.000 0.983 310 F HN -0.060 nan 8.300 nan 0.000 0.479 311 R N -0.230 120.358 120.500 0.148 0.000 2.096 311 R HA -0.170 4.170 4.340 -0.000 0.000 0.240 311 R C 2.388 178.700 176.300 0.020 0.000 1.139 311 R CA 1.973 58.062 56.100 -0.017 0.000 0.952 311 R CB -0.580 29.725 30.300 0.008 0.000 0.854 311 R HN 0.314 nan 8.270 nan 0.000 0.436 312 S N 0.312 116.046 115.700 0.058 0.000 2.368 312 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 312 S C 1.622 176.261 174.600 0.064 0.000 1.029 312 S CA 1.255 59.490 58.200 0.059 0.000 0.988 312 S CB -0.155 63.078 63.200 0.055 0.000 0.838 312 S HN 0.450 nan 8.310 nan 0.000 0.462 313 E N 0.065 120.300 120.200 0.059 0.000 2.478 313 E HA -0.117 4.233 4.350 -0.000 0.000 0.198 313 E C 1.544 178.146 176.600 0.002 0.000 1.046 313 E CA 0.116 56.535 56.400 0.033 0.000 0.870 313 E CB -0.047 29.684 29.700 0.051 0.000 0.818 313 E HN 0.679 nan 8.360 nan 0.000 0.527 314 W N 1.597 122.747 121.300 -0.249 0.000 2.332 314 W HA -0.112 4.548 4.660 -0.000 0.000 0.321 314 W C -1.248 175.161 176.519 -0.183 0.000 1.219 314 W CA 1.530 58.686 57.345 -0.314 0.000 1.277 314 W CB -1.426 27.824 29.460 -0.350 0.000 1.161 314 W HN 0.108 nan 8.180 nan 0.000 0.476 315 P HA -0.249 nan 4.420 nan 0.000 0.216 315 P C 2.152 179.411 177.300 -0.068 0.000 1.157 315 P CA 3.214 66.315 63.100 0.002 0.000 0.880 315 P CB -0.518 31.224 31.700 0.070 0.000 0.791 316 S N -1.406 114.271 115.700 -0.039 0.000 2.387 316 S HA -0.178 4.292 4.470 -0.000 0.000 0.230 316 S C 1.764 176.304 174.600 -0.100 0.000 1.035 316 S CA 1.262 59.432 58.200 -0.049 0.000 1.014 316 S CB -1.043 62.138 63.200 -0.031 0.000 0.836 316 S HN -0.042 nan 8.310 nan 0.000 0.466 317 L N 1.552 122.669 121.223 -0.176 0.000 2.007 317 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 317 L C 2.502 179.202 176.870 -0.283 0.000 1.073 317 L CA 1.661 56.358 54.840 -0.237 0.000 0.744 317 L CB -0.785 41.088 42.059 -0.310 0.000 0.898 317 L HN 0.465 nan 8.230 nan 0.000 0.435 318 I N -2.799 117.505 120.570 -0.443 0.000 2.315 318 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 318 I C 2.358 178.475 176.117 -0.000 0.000 1.125 318 I CA 1.376 62.487 61.300 -0.315 0.000 1.392 318 I CB -0.548 37.181 38.000 -0.451 0.000 1.065 318 I HN 0.283 nan 8.210 nan 0.000 0.424 319 E N 1.383 121.598 120.200 0.024 0.000 2.031 319 E HA -0.265 4.084 4.350 -0.000 0.000 0.193 319 E C 2.098 178.663 176.600 -0.057 0.000 0.994 319 E CA 1.741 58.167 56.400 0.043 0.000 0.800 319 E CB -0.196 29.520 29.700 0.027 0.000 0.752 319 E HN 0.701 nan 8.360 nan 0.000 0.447 320 E N 0.221 120.377 120.200 -0.074 0.000 2.051 320 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 320 E C 2.217 178.762 176.600 -0.091 0.000 0.991 320 E CA 0.592 56.944 56.400 -0.081 0.000 0.799 320 E CB 0.033 29.684 29.700 -0.082 0.000 0.748 320 E HN 0.067 nan 8.360 nan 0.000 0.449 321 L N 1.053 122.212 121.223 -0.106 0.000 2.021 321 L HA -0.258 4.082 4.340 -0.000 0.000 0.215 321 L C 2.557 179.374 176.870 -0.088 0.000 1.074 321 L CA 1.581 56.357 54.840 -0.106 0.000 0.760 321 L CB -1.295 40.680 42.059 -0.141 0.000 0.889 321 L HN 0.406 nan 8.230 nan 0.000 0.433 322 L N -0.271 120.898 121.223 -0.090 0.000 1.994 322 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 322 L C 1.495 178.282 176.870 -0.138 0.000 1.071 322 L CA 0.957 55.712 54.840 -0.142 0.000 0.745 322 L CB -0.259 41.605 42.059 -0.324 0.000 0.892 322 L HN 0.152 nan 8.230 nan 0.000 0.431 323 K N 0.324 120.644 120.400 -0.133 0.000 2.978 323 K HA -0.071 4.249 4.320 -0.000 0.000 0.261 323 K C 0.136 176.687 176.600 -0.082 0.000 1.181 323 K CA 0.749 56.972 56.287 -0.106 0.000 1.164 323 K CB -0.726 31.718 32.500 -0.094 0.000 1.331 323 K HN 0.228 nan 8.250 nan 0.000 0.266 324 T N -0.114 114.393 114.554 -0.078 0.000 5.331 324 T HA -0.015 4.335 4.350 -0.000 0.000 0.323 324 T C -0.333 174.333 174.700 -0.057 0.000 0.977 324 T CA 0.251 62.314 62.100 -0.062 0.000 0.405 324 T CB -0.948 67.884 68.868 -0.061 0.000 0.546 324 T HN 0.572 nan 8.240 nan 0.000 0.299 325 N N 1.576 120.238 118.700 -0.063 0.000 1.663 325 N HA -0.245 4.495 4.740 -0.000 0.000 0.175 325 N C 0.835 176.315 175.510 -0.050 0.000 0.777 325 N CA 1.659 54.678 53.050 -0.052 0.000 1.195 325 N CB -1.045 37.419 38.487 -0.039 0.000 1.427 325 N HN 0.463 nan 8.380 nan 0.000 0.439 326 R N 0.114 120.589 120.500 -0.042 0.000 2.403 326 R HA -0.238 4.102 4.340 -0.000 0.000 0.152 326 R C 0.811 177.088 176.300 -0.039 0.000 0.891 326 R CA 2.440 58.512 56.100 -0.047 0.000 1.875 326 R CB -2.017 28.241 30.300 -0.070 0.000 0.955 326 R HN 0.808 nan 8.270 nan 0.000 0.659 327 I N -0.779 119.769 120.570 -0.036 0.000 2.608 327 I HA 0.495 4.665 4.170 -0.000 0.000 0.295 327 I C 0.611 176.726 176.117 -0.003 0.000 1.049 327 I CA -0.798 60.493 61.300 -0.015 0.000 1.063 327 I CB 2.309 40.301 38.000 -0.014 0.000 1.248 327 I HN 0.181 nan 8.210 nan 0.000 0.424 328 S N 3.120 118.828 115.700 0.012 0.000 2.617 328 S HA 0.170 4.640 4.470 -0.000 0.000 0.259 328 S C 0.608 175.224 174.600 0.027 0.000 1.301 328 S CA 0.095 58.301 58.200 0.011 0.000 0.984 328 S CB 0.944 64.155 63.200 0.018 0.000 0.954 328 S HN 0.870 nan 8.310 nan 0.000 0.572 329 N N 0.423 119.130 118.700 0.012 0.000 2.216 329 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 329 N C 1.704 177.263 175.510 0.082 0.000 1.017 329 N CA 1.154 54.217 53.050 0.022 0.000 0.861 329 N CB -0.298 38.179 38.487 -0.016 0.000 0.986 329 N HN 0.777 nan 8.380 nan 0.000 0.428 330 E N 0.812 121.045 120.200 0.054 0.000 2.097 330 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 330 E C 1.765 178.406 176.600 0.068 0.000 1.000 330 E CA 1.617 58.050 56.400 0.055 0.000 0.804 330 E CB -0.159 29.564 29.700 0.038 0.000 0.740 330 E HN 0.473 nan 8.360 nan 0.000 0.454 331 Q N -1.246 118.597 119.800 0.071 0.000 2.016 331 Q HA -0.191 4.149 4.340 -0.000 0.000 0.200 331 Q C 2.063 178.113 176.000 0.084 0.000 0.978 331 Q CA 1.608 57.452 55.803 0.069 0.000 0.833 331 Q CB -0.492 28.281 28.738 0.058 0.000 0.895 331 Q HN 0.419 nan 8.270 nan 0.000 0.427 332 Y N 2.089 122.374 120.300 -0.025 0.000 2.030 332 Y HA -0.363 4.187 4.550 -0.000 0.000 0.272 332 Y C 2.145 178.030 175.900 -0.025 0.000 1.185 332 Y CA 2.092 60.166 58.100 -0.044 0.000 1.120 332 Y CB -0.058 38.367 38.460 -0.059 0.000 0.955 332 Y HN 0.115 nan 8.280 nan 0.000 0.495 333 E N -0.029 120.241 120.200 0.116 0.000 2.017 333 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 333 E C 2.276 178.859 176.600 -0.029 0.000 0.997 333 E CA 1.522 57.939 56.400 0.030 0.000 0.804 333 E CB -0.679 29.076 29.700 0.090 0.000 0.757 333 E HN 0.356 nan 8.360 nan 0.000 0.448 334 R N 1.265 121.773 120.500 0.013 0.000 2.204 334 R HA -0.146 4.194 4.340 -0.000 0.000 0.253 334 R C 1.313 177.617 176.300 0.007 0.000 1.172 334 R CA 1.775 57.885 56.100 0.016 0.000 0.994 334 R CB -0.155 30.164 30.300 0.032 0.000 0.874 334 R HN 0.299 nan 8.270 nan 0.000 0.462 335 M N -0.964 118.630 119.600 -0.010 0.000 4.445 335 M HA 0.202 4.682 4.480 -0.000 0.000 0.516 335 M C -0.530 175.804 176.300 0.056 0.000 2.177 335 M CA -0.454 54.867 55.300 0.033 0.000 0.440 335 M CB 1.402 34.067 32.600 0.108 0.000 1.599 335 M HN -0.070 nan 8.290 nan 0.000 0.571 336 K N -0.953 119.337 120.400 -0.183 0.000 2.487 336 K HA 0.180 4.500 4.320 -0.000 0.000 0.192 336 K C -0.462 175.942 176.600 -0.326 0.000 1.027 336 K CA 0.336 56.396 56.287 -0.378 0.000 1.054 336 K CB 0.148 32.204 32.500 -0.741 0.000 0.824 336 K HN 0.538 nan 8.250 nan 0.000 0.510 337 H N 0.694 119.807 119.070 0.071 0.000 2.679 337 H HA 0.301 4.857 4.556 -0.000 0.000 0.360 337 H C -1.401 173.570 175.328 -0.594 0.000 1.105 337 H CA -1.253 54.692 56.048 -0.172 0.000 1.196 337 H CB 1.997 31.684 29.762 -0.125 0.000 1.636 337 H HN -0.019 nan 8.280 nan 0.000 0.531 338 L N 3.225 123.923 121.223 -0.875 0.000 2.282 338 L HA 0.345 4.685 4.340 -0.000 0.000 0.288 338 L C -0.666 175.938 176.870 -0.444 0.000 1.033 338 L CA -0.367 53.857 54.840 -1.027 0.000 0.807 338 L CB 0.579 41.717 42.059 -1.536 0.000 1.209 338 L HN 0.494 nan 8.230 nan 0.000 0.423 339 N N 6.074 124.589 118.700 -0.308 0.000 2.400 339 N HA 0.704 5.444 4.740 -0.000 0.000 0.288 339 N C -0.703 174.731 175.510 -0.126 0.000 1.024 339 N CA -0.513 52.435 53.050 -0.169 0.000 0.894 339 N CB 1.550 39.965 38.487 -0.120 0.000 1.173 339 N HN 0.668 nan 8.380 nan 0.000 0.487 340 I N -2.239 118.286 120.570 -0.076 0.000 3.239 340 I HA 0.833 5.003 4.170 -0.000 0.000 0.314 340 I C -1.150 174.954 176.117 -0.021 0.000 1.126 340 I CA -0.978 60.301 61.300 -0.034 0.000 0.973 340 I CB 2.194 40.201 38.000 0.012 0.000 1.252 340 I HN 0.536 nan 8.210 nan 0.000 0.463 341 C N 1.928 121.222 119.300 -0.010 0.000 3.090 341 C HA 0.848 5.308 4.460 -0.000 0.000 0.347 341 C C 0.129 175.117 174.990 -0.004 0.000 1.147 341 C CA 0.121 59.135 59.018 -0.008 0.000 1.305 341 C CB 0.975 28.707 27.740 -0.013 0.000 1.692 341 C HN 1.187 nan 8.230 nan 0.000 0.506 342 G N 2.122 110.922 108.800 -0.000 0.000 2.434 342 G HA2 0.718 4.678 3.960 -0.000 0.000 0.330 342 G HA3 0.718 4.678 3.960 -0.000 0.000 0.330 342 G C -0.899 173.995 174.900 -0.009 0.000 1.155 342 G CA -0.118 44.982 45.100 -0.001 0.000 0.917 342 G HN 0.850 nan 8.290 nan 0.000 0.493 343 T N 0.043 114.588 114.554 -0.014 0.000 3.143 343 T HA 0.305 4.654 4.350 -0.000 0.000 0.312 343 T C -0.893 173.795 174.700 -0.020 0.000 0.986 343 T CA -0.275 61.813 62.100 -0.020 0.000 1.024 343 T CB 1.362 70.215 68.868 -0.026 0.000 1.030 343 T HN 0.686 nan 8.240 nan 0.000 0.448 344 V N 4.516 124.418 119.914 -0.020 0.000 2.368 344 V HA 0.840 4.960 4.120 -0.000 0.000 0.266 344 V C 0.319 176.396 176.094 -0.028 0.000 1.045 344 V CA 0.094 62.380 62.300 -0.022 0.000 0.899 344 V CB 0.387 32.196 31.823 -0.023 0.000 1.006 344 V HN 0.922 nan 8.190 nan 0.000 0.470 345 G N 4.442 113.226 108.800 -0.026 0.000 2.437 345 G HA2 0.604 4.564 3.960 -0.000 0.000 0.315 345 G HA3 0.604 4.564 3.960 -0.000 0.000 0.315 345 G C -0.707 174.178 174.900 -0.025 0.000 1.210 345 G CA -0.181 44.904 45.100 -0.026 0.000 0.943 345 G HN 1.151 nan 8.290 nan 0.000 0.471 346 S N 1.422 117.103 115.700 -0.032 0.000 2.556 346 S HA 0.217 4.686 4.470 -0.000 0.000 0.280 346 S C 0.900 175.476 174.600 -0.038 0.000 1.141 346 S CA -0.577 57.605 58.200 -0.030 0.000 0.883 346 S CB 0.861 64.040 63.200 -0.034 0.000 1.103 346 S HN 0.934 nan 8.310 nan 0.000 0.453 347 I N 0.328 120.888 120.570 -0.018 0.000 3.111 347 I HA 0.197 4.367 4.170 -0.000 0.000 0.272 347 I C 0.929 177.048 176.117 0.003 0.000 1.268 347 I CA 0.657 61.955 61.300 -0.004 0.000 1.467 347 I CB -0.190 37.819 38.000 0.015 0.000 1.087 347 I HN 0.395 nan 8.210 nan 0.000 0.467 348 D N 1.520 121.913 120.400 -0.011 0.000 2.269 348 D HA -0.156 4.484 4.640 -0.000 0.000 0.208 348 D C 0.596 176.881 176.300 -0.026 0.000 0.963 348 D CA 0.736 54.745 54.000 0.016 0.000 0.864 348 D CB -0.498 40.308 40.800 0.010 0.000 0.936 348 D HN 0.431 nan 8.370 nan 0.000 0.505 349 N N 1.500 120.100 118.700 -0.166 0.000 2.688 349 N HA -0.189 4.551 4.740 -0.000 0.000 0.258 349 N C -0.973 174.426 175.510 -0.186 0.000 1.016 349 N CA 0.841 53.684 53.050 -0.345 0.000 0.747 349 N CB -0.764 37.172 38.487 -0.918 0.000 0.895 349 N HN 0.271 nan 8.380 nan 0.000 0.543 350 D N -1.303 119.040 120.400 -0.095 0.000 2.599 350 D HA 0.119 4.759 4.640 -0.000 0.000 0.249 350 D C 0.029 176.301 176.300 -0.047 0.000 1.313 350 D CA -0.290 53.682 54.000 -0.047 0.000 0.815 350 D CB -0.066 40.728 40.800 -0.010 0.000 1.077 350 D HN 0.238 nan 8.370 nan 0.000 0.492 351 M N 1.375 120.937 119.600 -0.062 0.000 2.061 351 M HA 0.280 4.760 4.480 -0.000 0.000 0.346 351 M C 0.448 176.723 176.300 -0.043 0.000 1.112 351 M CA -0.117 55.158 55.300 -0.042 0.000 1.021 351 M CB 1.254 33.830 32.600 -0.040 0.000 1.530 351 M HN -0.107 nan 8.290 nan 0.000 0.437 352 S N 2.304 117.986 115.700 -0.030 0.000 2.387 352 S HA -0.140 4.330 4.470 -0.000 0.000 0.230 352 S C 1.550 176.142 174.600 -0.013 0.000 1.035 352 S CA 2.221 60.407 58.200 -0.024 0.000 1.014 352 S CB -0.403 62.785 63.200 -0.018 0.000 0.836 352 S HN 0.879 nan 8.310 nan 0.000 0.466 353 T N -1.505 113.043 114.554 -0.010 0.000 3.148 353 T HA 0.123 4.472 4.350 -0.000 0.000 0.253 353 T C 0.562 175.261 174.700 -0.001 0.000 1.134 353 T CA 0.452 62.551 62.100 -0.001 0.000 1.051 353 T CB -0.019 68.850 68.868 0.002 0.000 0.959 353 T HN 0.206 nan 8.240 nan 0.000 0.525 354 T N 0.196 114.742 114.554 -0.013 0.000 2.887 354 T HA 0.363 4.713 4.350 -0.000 0.000 0.288 354 T C 0.095 174.779 174.700 -0.026 0.000 1.021 354 T CA -0.721 61.371 62.100 -0.013 0.000 1.000 354 T CB 1.645 70.500 68.868 -0.022 0.000 1.034 354 T HN -0.065 nan 8.240 nan 0.000 0.467 355 D N 2.193 122.593 120.400 -0.000 0.000 2.194 355 D HA 0.200 4.840 4.640 -0.000 0.000 0.204 355 D C 0.497 176.747 176.300 -0.083 0.000 0.964 355 D CA 0.667 54.666 54.000 -0.001 0.000 0.846 355 D CB 0.281 41.121 40.800 0.068 0.000 0.962 355 D HN 0.636 nan 8.370 nan 0.000 0.490 356 A N 0.590 123.385 122.820 -0.041 0.000 2.402 356 A HA 0.499 4.819 4.320 -0.000 0.000 0.291 356 A C -0.072 177.466 177.584 -0.076 0.000 1.051 356 A CA -0.721 51.263 52.037 -0.090 0.000 0.716 356 A CB 1.021 20.169 19.000 0.247 0.000 1.223 356 A HN -0.003 nan 8.150 nan 0.000 0.425 357 T N 0.673 115.120 114.554 -0.178 0.000 2.910 357 T HA 0.585 4.935 4.350 -0.000 0.000 0.293 357 T C 0.389 175.055 174.700 -0.057 0.000 1.015 357 T CA -0.424 61.611 62.100 -0.108 0.000 1.094 357 T CB 0.381 69.170 68.868 -0.132 0.000 0.968 357 T HN 0.433 nan 8.240 nan 0.000 0.521 358 I N 2.432 122.984 120.570 -0.030 0.000 2.668 358 I HA 0.323 4.493 4.170 -0.000 0.000 0.285 358 I C 1.619 177.737 176.117 0.002 0.000 1.168 358 I CA 1.038 62.334 61.300 -0.006 0.000 1.424 358 I CB 0.008 37.997 38.000 -0.019 0.000 1.377 358 I HN 1.132 nan 8.210 nan 0.000 0.560 359 G N 4.085 112.910 108.800 0.042 0.000 2.254 359 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.225 359 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.225 359 G C 1.078 176.010 174.900 0.053 0.000 1.003 359 G CA 0.454 45.582 45.100 0.047 0.000 0.622 359 G HN 0.789 nan 8.290 nan 0.000 0.507 360 A N 0.194 123.005 122.820 -0.015 0.000 1.859 360 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 360 A C 1.957 179.582 177.584 0.068 0.000 1.198 360 A CA 2.376 54.352 52.037 -0.102 0.000 0.629 360 A CB -0.799 17.857 19.000 -0.574 0.000 0.830 360 A HN 0.867 nan 8.150 nan 0.000 0.446 361 Y N 0.714 121.142 120.300 0.213 0.000 2.333 361 Y HA -0.170 4.380 4.550 -0.000 0.000 0.290 361 Y C 3.034 179.028 175.900 0.156 0.000 1.144 361 Y CA 1.369 59.619 58.100 0.250 0.000 1.228 361 Y CB -0.138 38.446 38.460 0.206 0.000 0.985 361 Y HN 0.301 nan 8.280 nan 0.000 0.542 362 S N -0.177 115.672 115.700 0.249 0.000 2.355 362 S HA -0.218 4.252 4.470 -0.000 0.000 0.222 362 S C 2.375 177.038 174.600 0.105 0.000 1.031 362 S CA 0.944 59.234 58.200 0.150 0.000 0.993 362 S CB -0.666 62.598 63.200 0.107 0.000 0.859 362 S HN 0.532 nan 8.310 nan 0.000 0.453 363 A N 1.642 124.520 122.820 0.096 0.000 1.908 363 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 363 A C 2.135 179.748 177.584 0.048 0.000 1.181 363 A CA 1.602 53.676 52.037 0.062 0.000 0.627 363 A CB -0.822 18.215 19.000 0.062 0.000 0.818 363 A HN 0.418 nan 8.150 nan 0.000 0.445 364 L N 0.367 121.638 121.223 0.080 0.000 2.042 364 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 364 L C 1.922 178.790 176.870 -0.003 0.000 1.076 364 L CA 2.872 57.714 54.840 0.003 0.000 0.749 364 L CB -0.785 41.277 42.059 0.004 0.000 0.893 364 L HN 0.526 nan 8.230 nan 0.000 0.432 365 D N -1.101 119.328 120.400 0.049 0.000 2.097 365 D HA -0.239 4.401 4.640 -0.000 0.000 0.195 365 D C 2.230 178.525 176.300 -0.007 0.000 0.989 365 D CA 1.062 55.075 54.000 0.022 0.000 0.827 365 D CB 0.017 40.846 40.800 0.049 0.000 0.966 365 D HN 0.084 nan 8.370 nan 0.000 0.456 366 R N 0.067 120.572 120.500 0.008 0.000 2.091 366 R HA -0.011 4.329 4.340 -0.000 0.000 0.238 366 R C 2.356 178.646 176.300 -0.018 0.000 1.136 366 R CA 0.989 57.090 56.100 0.002 0.000 0.959 366 R CB -0.682 29.626 30.300 0.014 0.000 0.856 366 R HN 0.374 nan 8.270 nan 0.000 0.437 367 I N -0.778 119.772 120.570 -0.033 0.000 2.179 367 I HA -0.373 3.797 4.170 -0.000 0.000 0.242 367 I C 2.109 178.179 176.117 -0.078 0.000 1.088 367 I CA 1.325 62.590 61.300 -0.057 0.000 1.357 367 I CB -0.319 37.632 38.000 -0.082 0.000 1.051 367 I HN 0.189 nan 8.210 nan 0.000 0.409 368 C N 0.607 119.852 119.300 -0.091 0.000 2.422 368 C HA -0.129 4.331 4.460 -0.000 0.000 0.279 368 C C 2.732 177.641 174.990 -0.135 0.000 1.305 368 C CA 0.692 59.642 59.018 -0.113 0.000 1.757 368 C CB -1.015 26.658 27.740 -0.112 0.000 1.962 368 C HN 0.416 nan 8.230 nan 0.000 0.499 369 K N 1.062 121.387 120.400 -0.126 0.000 2.097 369 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 369 K C 2.255 178.727 176.600 -0.212 0.000 1.050 369 K CA 1.470 57.633 56.287 -0.206 0.000 0.938 369 K CB -0.240 32.183 32.500 -0.129 0.000 0.718 369 K HN 0.475 nan 8.250 nan 0.000 0.442 370 A N 1.055 123.850 122.820 -0.041 0.000 1.898 370 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 370 A C 2.052 179.627 177.584 -0.014 0.000 1.181 370 A CA 1.138 53.213 52.037 0.064 0.000 0.620 370 A CB -0.472 18.549 19.000 0.034 0.000 0.819 370 A HN 0.169 nan 8.150 nan 0.000 0.442 371 I N -0.299 120.223 120.570 -0.079 0.000 2.315 371 I HA -0.224 3.945 4.170 -0.000 0.000 0.248 371 I C 2.228 178.271 176.117 -0.123 0.000 1.117 371 I CA 1.814 63.053 61.300 -0.103 0.000 1.404 371 I CB -0.362 37.579 38.000 -0.098 0.000 1.071 371 I HN 0.385 nan 8.210 nan 0.000 0.419 372 D N 0.161 120.462 120.400 -0.165 0.000 2.178 372 D HA -0.231 4.409 4.640 -0.000 0.000 0.201 372 D C 2.043 178.245 176.300 -0.163 0.000 0.980 372 D CA 1.627 55.509 54.000 -0.196 0.000 0.842 372 D CB 0.020 40.655 40.800 -0.276 0.000 0.948 372 D HN 0.248 nan 8.370 nan 0.000 0.472 373 Y N -0.064 120.174 120.300 -0.104 0.000 2.153 373 Y HA -0.062 4.488 4.550 -0.000 0.000 0.289 373 Y C 2.579 178.383 175.900 -0.160 0.000 1.127 373 Y CA 0.561 58.596 58.100 -0.108 0.000 1.131 373 Y CB -0.876 37.525 38.460 -0.098 0.000 0.995 373 Y HN -0.104 nan 8.280 nan 0.000 0.505 374 V N 0.145 120.021 119.914 -0.063 0.000 2.380 374 V HA -0.322 3.798 4.120 -0.000 0.000 0.251 374 V C 2.300 178.201 176.094 -0.321 0.000 1.063 374 V CA 2.229 64.326 62.300 -0.339 0.000 1.055 374 V CB -0.599 30.928 31.823 -0.494 0.000 0.657 374 V HN 0.315 nan 8.190 nan 0.000 0.455 375 E N 0.463 120.561 120.200 -0.169 0.000 2.097 375 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 375 E C 2.155 178.736 176.600 -0.032 0.000 1.000 375 E CA 1.743 58.091 56.400 -0.087 0.000 0.804 375 E CB -0.457 29.203 29.700 -0.068 0.000 0.740 375 E HN 0.569 nan 8.360 nan 0.000 0.454 376 A N -0.589 122.219 122.820 -0.020 0.000 1.933 376 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 376 A C 2.487 180.104 177.584 0.055 0.000 1.175 376 A CA 2.160 54.211 52.037 0.023 0.000 0.628 376 A CB -1.125 17.898 19.000 0.039 0.000 0.814 376 A HN 0.405 nan 8.150 nan 0.000 0.444 377 T N -1.093 113.480 114.554 0.031 0.000 2.942 377 T HA 0.150 4.500 4.350 -0.000 0.000 0.265 377 T C 1.952 176.767 174.700 0.192 0.000 1.062 377 T CA 1.599 63.756 62.100 0.095 0.000 1.139 377 T CB -0.439 68.445 68.868 0.028 0.000 0.883 377 T HN 0.503 nan 8.240 nan 0.000 0.468 378 A N 1.542 124.461 122.820 0.166 0.000 1.883 378 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 378 A C 2.185 179.917 177.584 0.247 0.000 1.186 378 A CA 2.272 54.520 52.037 0.352 0.000 0.624 378 A CB -1.249 17.951 19.000 0.332 0.000 0.822 378 A HN 0.668 nan 8.150 nan 0.000 0.444 379 N N -0.173 118.621 118.700 0.157 0.000 2.149 379 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 379 N C 1.816 177.404 175.510 0.130 0.000 1.019 379 N CA 1.758 54.879 53.050 0.118 0.000 0.857 379 N CB -0.168 38.361 38.487 0.071 0.000 0.997 379 N HN 0.357 nan 8.380 nan 0.000 0.426 380 S N -1.027 114.776 115.700 0.172 0.000 2.383 380 S HA -0.128 4.342 4.470 -0.000 0.000 0.229 380 S C 0.832 175.480 174.600 0.080 0.000 1.030 380 S CA 1.260 59.545 58.200 0.142 0.000 1.002 380 S CB -0.366 62.972 63.200 0.231 0.000 0.829 380 S HN 0.564 nan 8.310 nan 0.000 0.467 381 H N 0.182 119.301 119.070 0.081 0.000 2.594 381 H HA 0.406 4.962 4.556 -0.000 0.000 0.279 381 H C 0.554 175.920 175.328 0.064 0.000 1.042 381 H CA -0.310 55.779 56.048 0.069 0.000 1.177 381 H CB 0.133 29.940 29.762 0.075 0.000 1.524 381 H HN 0.085 nan 8.280 nan 0.000 0.537 382 S N 1.209 117.013 115.700 0.174 0.000 3.549 382 S HA -0.234 4.236 4.470 -0.000 0.000 0.366 382 S C 0.546 175.219 174.600 0.123 0.000 1.012 382 S CA 0.416 58.692 58.200 0.127 0.000 1.141 382 S CB -1.027 62.225 63.200 0.087 0.000 0.910 382 S HN 0.481 nan 8.310 nan 0.000 0.471 383 R N 0.404 120.996 120.500 0.154 0.000 2.541 383 R HA 0.773 5.113 4.340 -0.000 0.000 0.254 383 R C 0.220 176.557 176.300 0.061 0.000 1.130 383 R CA -0.198 55.940 56.100 0.062 0.000 1.152 383 R CB 0.664 30.948 30.300 -0.027 0.000 1.222 383 R HN 0.327 nan 8.270 nan 0.000 0.579 384 A N 1.080 123.843 122.820 -0.095 0.000 2.343 384 A HA 0.680 5.000 4.320 -0.000 0.000 0.316 384 A C -1.340 176.108 177.584 -0.226 0.000 1.104 384 A CA -0.515 51.500 52.037 -0.037 0.000 0.768 384 A CB 0.712 19.693 19.000 -0.031 0.000 1.213 384 A HN 0.494 nan 8.150 nan 0.000 0.456 385 F N 1.303 121.280 119.950 0.045 0.000 2.540 385 F HA 0.500 5.027 4.527 -0.000 0.000 0.317 385 F C -0.050 175.768 175.800 0.031 0.000 1.104 385 F CA -0.624 57.398 58.000 0.037 0.000 0.913 385 F CB 2.622 41.635 39.000 0.021 0.000 1.170 385 F HN 0.266 nan 8.300 nan 0.000 0.450 386 V N 4.692 124.712 119.914 0.178 0.000 2.294 386 V HA 0.266 4.386 4.120 -0.000 0.000 0.272 386 V C -0.449 175.690 176.094 0.076 0.000 1.027 386 V CA -0.739 61.611 62.300 0.083 0.000 0.823 386 V CB 0.941 32.776 31.823 0.020 0.000 1.030 386 V HN 0.482 nan 8.190 nan 0.000 0.457 387 V N 4.398 124.349 119.914 0.062 0.000 2.389 387 V HA 0.243 4.363 4.120 -0.000 0.000 0.264 387 V C 0.577 176.658 176.094 -0.022 0.000 1.049 387 V CA -0.403 61.912 62.300 0.025 0.000 0.932 387 V CB 1.024 32.851 31.823 0.008 0.000 1.011 387 V HN 0.865 nan 8.190 nan 0.000 0.475 388 E N 3.985 124.167 120.200 -0.030 0.000 2.180 388 E HA 0.383 4.733 4.350 -0.000 0.000 0.283 388 E C -1.049 175.521 176.600 -0.051 0.000 1.061 388 E CA -0.159 56.210 56.400 -0.051 0.000 0.861 388 E CB 1.467 31.136 29.700 -0.052 0.000 1.056 388 E HN 0.502 nan 8.360 nan 0.000 0.407 389 V N 5.430 125.310 119.914 -0.057 0.000 2.769 389 V HA 0.308 4.428 4.120 -0.000 0.000 0.312 389 V C 0.652 176.712 176.094 -0.057 0.000 1.058 389 V CA -0.643 61.621 62.300 -0.060 0.000 0.952 389 V CB 2.019 33.800 31.823 -0.070 0.000 1.019 389 V HN 0.823 nan 8.190 nan 0.000 0.445 390 M N 1.977 121.540 119.600 -0.062 0.000 1.703 390 M HA 0.380 4.860 4.480 -0.000 0.000 0.160 390 M C 1.364 177.649 176.300 -0.024 0.000 1.205 390 M CA 1.162 56.426 55.300 -0.059 0.000 0.775 390 M CB 0.088 32.637 32.600 -0.086 0.000 1.051 390 M HN 0.915 nan 8.290 nan 0.000 0.417 391 G N -0.784 108.010 108.800 -0.011 0.000 2.318 391 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.172 391 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.172 391 G C 0.471 175.383 174.900 0.020 0.000 1.002 391 G CA 0.418 45.533 45.100 0.026 0.000 0.697 391 G HN 0.780 nan 8.290 nan 0.000 0.483 392 R N -0.940 119.561 120.500 0.000 0.000 3.993 392 R HA -0.284 4.055 4.340 -0.000 0.000 0.314 392 R C 0.810 177.116 176.300 0.010 0.000 0.247 392 R CA 2.236 58.337 56.100 0.003 0.000 1.056 392 R CB -1.588 28.716 30.300 0.007 0.000 0.989 392 R HN 0.333 nan 8.270 nan 0.000 0.564 393 N N -0.238 118.472 118.700 0.015 0.000 2.236 393 N HA 0.122 4.862 4.740 -0.000 0.000 0.196 393 N C -0.024 175.500 175.510 0.024 0.000 1.114 393 N CA 0.605 53.664 53.050 0.016 0.000 0.859 393 N CB 0.192 38.687 38.487 0.013 0.000 0.982 393 N HN 0.295 nan 8.380 nan 0.000 0.493 394 C N -0.568 118.759 119.300 0.045 0.000 2.351 394 C HA 0.702 5.162 4.460 -0.000 0.000 0.359 394 C C 1.662 176.732 174.990 0.132 0.000 1.193 394 C CA -0.380 58.691 59.018 0.088 0.000 2.270 394 C CB 0.694 28.499 27.740 0.109 0.000 2.369 394 C HN 0.463 nan 8.230 nan 0.000 0.553 395 G N 1.144 110.081 108.800 0.228 0.000 3.519 395 G HA2 0.045 4.005 3.960 -0.000 0.000 0.269 395 G HA3 0.045 4.005 3.960 -0.000 0.000 0.269 395 G C 0.768 175.796 174.900 0.214 0.000 1.028 395 G CA -0.032 45.186 45.100 0.196 0.000 0.809 395 G HN 0.959 nan 8.290 nan 0.000 0.521 396 W N 1.246 122.654 121.300 0.180 0.000 2.321 396 W HA -0.110 4.550 4.660 -0.000 0.000 0.306 396 W C 1.927 178.368 176.519 -0.130 0.000 1.217 396 W CA 1.488 58.861 57.345 0.047 0.000 1.257 396 W CB -0.061 29.445 29.460 0.077 0.000 1.145 396 W HN 0.148 nan 8.180 nan 0.000 0.509 397 L N 0.051 121.263 121.223 -0.019 0.000 2.005 397 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 397 L C 2.766 179.439 176.870 -0.328 0.000 1.072 397 L CA 1.510 56.212 54.840 -0.230 0.000 0.744 397 L CB -1.457 40.595 42.059 -0.011 0.000 0.895 397 L HN 0.058 nan 8.230 nan 0.000 0.433 398 A N -0.092 122.601 122.820 -0.213 0.000 1.908 398 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 398 A C 2.171 179.534 177.584 -0.368 0.000 1.181 398 A CA 1.848 53.747 52.037 -0.229 0.000 0.627 398 A CB -0.719 18.201 19.000 -0.134 0.000 0.818 398 A HN 0.327 nan 8.150 nan 0.000 0.445 399 L N -0.291 120.669 121.223 -0.437 0.000 1.948 399 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 399 L C 2.174 178.644 176.870 -0.667 0.000 1.074 399 L CA 1.798 56.290 54.840 -0.579 0.000 0.753 399 L CB -0.753 40.928 42.059 -0.630 0.000 0.888 399 L HN 0.281 nan 8.230 nan 0.000 0.432 400 L N -0.062 120.666 121.223 -0.825 0.000 2.081 400 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 400 L C 2.705 179.243 176.870 -0.552 0.000 1.080 400 L CA 2.033 56.381 54.840 -0.820 0.000 0.754 400 L CB -1.967 39.388 42.059 -1.173 0.000 0.893 400 L HN 0.551 nan 8.230 nan 0.000 0.433 401 A N -0.150 122.378 122.820 -0.487 0.000 1.855 401 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 401 A C 2.460 179.864 177.584 -0.300 0.000 1.191 401 A CA 1.571 53.410 52.037 -0.331 0.000 0.613 401 A CB -1.163 17.677 19.000 -0.267 0.000 0.829 401 A HN 0.414 nan 8.150 nan 0.000 0.442 402 G N 0.008 108.576 108.800 -0.387 0.000 2.469 402 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 402 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 402 G C 1.532 176.249 174.900 -0.305 0.000 1.136 402 G CA 1.204 46.051 45.100 -0.421 0.000 0.759 402 G HN 0.478 nan 8.290 nan 0.000 0.562 403 I N 1.148 121.518 120.570 -0.333 0.000 2.179 403 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 403 I C 3.275 179.376 176.117 -0.026 0.000 1.088 403 I CA 1.077 62.353 61.300 -0.041 0.000 1.357 403 I CB -0.208 37.716 38.000 -0.126 0.000 1.051 403 I HN 0.260 nan 8.210 nan 0.000 0.409 404 A N 0.298 123.038 122.820 -0.133 0.000 1.969 404 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 404 A C 2.224 179.745 177.584 -0.106 0.000 1.169 404 A CA 2.129 54.097 52.037 -0.115 0.000 0.635 404 A CB -0.878 18.030 19.000 -0.153 0.000 0.810 404 A HN 0.527 nan 8.150 nan 0.000 0.445 405 T N -4.679 109.810 114.554 -0.107 0.000 3.069 405 T HA 0.269 4.619 4.350 -0.000 0.000 0.252 405 T C 0.502 175.163 174.700 -0.064 0.000 1.053 405 T CA 0.723 62.765 62.100 -0.097 0.000 0.964 405 T CB -0.250 68.558 68.868 -0.099 0.000 1.005 405 T HN 0.509 nan 8.240 nan 0.000 0.532 406 S N 0.903 116.599 115.700 -0.007 0.000 3.628 406 S HA -0.088 4.382 4.470 -0.000 0.000 0.373 406 S C 0.602 175.270 174.600 0.114 0.000 0.968 406 S CA 0.128 58.375 58.200 0.078 0.000 1.215 406 S CB -2.215 60.938 63.200 -0.079 0.000 0.912 406 S HN 1.225 nan 8.310 nan 0.000 0.495 407 A N 0.373 123.284 122.820 0.151 0.000 2.386 407 A HA 0.427 4.747 4.320 -0.000 0.000 0.248 407 A C 0.938 178.711 177.584 0.315 0.000 1.082 407 A CA 0.046 52.180 52.037 0.162 0.000 0.789 407 A CB 0.195 19.241 19.000 0.077 0.000 1.025 407 A HN 0.462 nan 8.150 nan 0.000 0.490 408 D N -1.310 119.260 120.400 0.283 0.000 2.277 408 D HA 0.156 4.796 4.640 -0.000 0.000 0.208 408 D C -0.510 176.116 176.300 0.545 0.000 0.962 408 D CA 1.856 56.075 54.000 0.365 0.000 0.865 408 D CB 0.033 41.032 40.800 0.331 0.000 0.939 408 D HN 0.481 nan 8.370 nan 0.000 0.510 409 Y N -0.383 120.124 120.300 0.345 0.000 2.521 409 Y HA 0.257 4.806 4.550 -0.000 0.000 0.326 409 Y C -1.795 174.256 175.900 0.253 0.000 1.176 409 Y CA -1.508 56.795 58.100 0.338 0.000 1.079 409 Y CB 0.986 39.611 38.460 0.276 0.000 1.341 409 Y HN -0.190 nan 8.280 nan 0.000 0.456 410 I N 0.817 121.345 120.570 -0.071 0.000 2.646 410 I HA 0.650 4.820 4.170 -0.000 0.000 0.299 410 I C -1.799 174.291 176.117 -0.044 0.000 1.036 410 I CA -0.878 60.387 61.300 -0.060 0.000 1.074 410 I CB 2.339 40.118 38.000 -0.367 0.000 1.258 410 I HN 0.458 nan 8.210 nan 0.000 0.430 411 F N 6.229 126.115 119.950 -0.105 0.000 2.434 411 F HA 0.538 5.065 4.527 -0.000 0.000 0.367 411 F C 0.125 175.859 175.800 -0.110 0.000 1.093 411 F CA -0.751 57.191 58.000 -0.096 0.000 1.085 411 F CB 1.405 40.328 39.000 -0.128 0.000 1.322 411 F HN 0.419 nan 8.300 nan 0.000 0.452 412 I N 2.308 122.876 120.570 -0.003 0.000 2.648 412 I HA 0.595 4.765 4.170 -0.000 0.000 0.304 412 I C -1.938 174.168 176.117 -0.019 0.000 1.009 412 I CA -2.581 58.723 61.300 0.007 0.000 1.114 412 I CB 2.616 40.629 38.000 0.022 0.000 1.293 412 I HN 0.127 nan 8.210 nan 0.000 0.449 413 P HA 0.016 nan 4.420 nan 0.000 0.236 413 P C 0.645 177.844 177.300 -0.169 0.000 1.177 413 P CA 0.973 64.024 63.100 -0.082 0.000 0.773 413 P CB 0.329 32.007 31.700 -0.038 0.000 0.878 414 E N 0.326 120.468 120.200 -0.097 0.000 2.358 414 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 414 E C 1.150 177.640 176.600 -0.183 0.000 1.010 414 E CA 0.746 57.067 56.400 -0.131 0.000 0.856 414 E CB -0.190 29.457 29.700 -0.088 0.000 0.795 414 E HN 0.244 nan 8.360 nan 0.000 0.504 415 K N 0.320 120.612 120.400 -0.180 0.000 2.842 415 K HA 0.192 4.512 4.320 -0.000 0.000 0.176 415 K C -2.323 174.145 176.600 -0.220 0.000 1.080 415 K CA -1.505 54.687 56.287 -0.158 0.000 0.954 415 K CB 0.821 33.313 32.500 -0.015 0.000 1.203 415 K HN -0.178 nan 8.250 nan 0.000 0.611 416 P HA -0.145 nan 4.420 nan 0.000 0.218 416 P C -0.164 177.119 177.300 -0.028 0.000 1.148 416 P CA 0.646 63.578 63.100 -0.280 0.000 0.822 416 P CB 0.070 31.452 31.700 -0.530 0.000 0.784 417 A N -0.452 122.387 122.820 0.032 0.000 1.971 417 A HA -0.059 4.261 4.320 -0.000 0.000 0.336 417 A C 0.884 178.564 177.584 0.160 0.000 0.828 417 A CA 1.715 53.835 52.037 0.138 0.000 1.494 417 A CB -1.322 17.745 19.000 0.112 0.000 0.631 417 A HN 0.362 nan 8.150 nan 0.000 0.239 418 T N 0.093 114.763 114.554 0.193 0.000 2.612 418 T HA 0.299 4.649 4.350 -0.000 0.000 0.183 418 T C 1.183 175.979 174.700 0.160 0.000 1.501 418 T CA 1.407 63.641 62.100 0.223 0.000 0.884 418 T CB -0.717 68.424 68.868 0.455 0.000 2.150 418 T HN 1.961 nan 8.240 nan 0.000 0.344 419 S N -0.619 115.213 115.700 0.220 0.000 1.411 419 S HA -0.194 4.276 4.470 -0.000 0.000 0.245 419 S C 1.192 175.716 174.600 -0.128 0.000 0.674 419 S CA 2.226 60.492 58.200 0.110 0.000 1.197 419 S CB -1.958 61.295 63.200 0.088 0.000 1.384 419 S HN 0.901 nan 8.310 nan 0.000 0.504 420 S N 0.304 115.917 115.700 -0.145 0.000 2.628 420 S HA 0.211 4.681 4.470 -0.000 0.000 0.246 420 S C 1.209 175.674 174.600 -0.226 0.000 1.062 420 S CA -0.083 57.969 58.200 -0.245 0.000 1.028 420 S CB 0.395 63.516 63.200 -0.132 0.000 0.985 420 S HN 0.538 nan 8.310 nan 0.000 0.551 421 E N 1.959 122.102 120.200 -0.095 0.000 2.047 421 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 421 E C 2.001 178.621 176.600 0.033 0.000 0.987 421 E CA 1.301 57.696 56.400 -0.008 0.000 0.799 421 E CB -0.273 29.471 29.700 0.073 0.000 0.752 421 E HN 0.794 nan 8.360 nan 0.000 0.449 422 W N 2.885 124.197 121.300 0.019 0.000 2.338 422 W HA -0.222 4.438 4.660 -0.000 0.000 0.304 422 W C 1.692 178.174 176.519 -0.063 0.000 1.212 422 W CA 1.059 58.389 57.345 -0.026 0.000 1.264 422 W CB -0.646 28.806 29.460 -0.013 0.000 1.142 422 W HN -0.006 nan 8.180 nan 0.000 0.512 423 Q N 1.026 120.594 119.800 -0.386 0.000 2.096 423 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 423 Q C 1.531 177.457 176.000 -0.122 0.000 0.982 423 Q CA 1.958 57.563 55.803 -0.330 0.000 0.850 423 Q CB -1.095 27.258 28.738 -0.641 0.000 0.901 423 Q HN 0.420 nan 8.270 nan 0.000 0.422 424 D N 0.761 121.085 120.400 -0.126 0.000 2.137 424 D HA -0.100 4.540 4.640 -0.000 0.000 0.202 424 D C 2.045 178.314 176.300 -0.051 0.000 0.970 424 D CA 0.839 54.792 54.000 -0.078 0.000 0.837 424 D CB -0.077 40.681 40.800 -0.070 0.000 0.981 424 D HN 0.147 nan 8.370 nan 0.000 0.475 425 Q N 0.785 120.573 119.800 -0.019 0.000 2.029 425 Q HA -0.180 4.160 4.340 -0.000 0.000 0.209 425 Q C 2.176 178.117 176.000 -0.098 0.000 0.999 425 Q CA 1.559 57.379 55.803 0.028 0.000 0.857 425 Q CB -0.329 28.511 28.738 0.170 0.000 0.926 425 Q HN 0.273 nan 8.270 nan 0.000 0.415 426 M N -1.160 118.197 119.600 -0.405 0.000 2.067 426 M HA -0.210 4.270 4.480 -0.000 0.000 0.260 426 M C 2.142 178.331 176.300 -0.186 0.000 1.069 426 M CA 1.824 56.737 55.300 -0.646 0.000 1.117 426 M CB -0.389 31.789 32.600 -0.704 0.000 1.334 426 M HN 0.410 nan 8.290 nan 0.000 0.407 427 C N 1.165 120.411 119.300 -0.090 0.000 2.401 427 C HA -0.205 4.255 4.460 -0.000 0.000 0.276 427 C C 2.544 177.507 174.990 -0.046 0.000 1.233 427 C CA 1.591 60.585 59.018 -0.041 0.000 1.753 427 C CB -1.351 26.368 27.740 -0.035 0.000 2.029 427 C HN 0.686 nan 8.230 nan 0.000 0.478 428 D N 0.360 120.725 120.400 -0.057 0.000 2.095 428 D HA -0.169 4.471 4.640 -0.000 0.000 0.192 428 D C 1.955 178.199 176.300 -0.094 0.000 0.990 428 D CA 1.648 55.611 54.000 -0.062 0.000 0.836 428 D CB -0.292 40.478 40.800 -0.051 0.000 0.979 428 D HN 0.351 nan 8.370 nan 0.000 0.447 429 I N 0.764 121.277 120.570 -0.094 0.000 2.361 429 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 429 I C 2.303 178.298 176.117 -0.203 0.000 1.133 429 I CA 0.847 62.024 61.300 -0.206 0.000 1.413 429 I CB -0.284 37.667 38.000 -0.082 0.000 1.073 429 I HN -0.047 nan 8.210 nan 0.000 0.424 430 V N -0.057 119.851 119.914 -0.010 0.000 2.244 430 V HA -0.273 3.847 4.120 -0.000 0.000 0.244 430 V C 2.579 178.696 176.094 0.038 0.000 1.042 430 V CA 2.088 64.442 62.300 0.090 0.000 1.006 430 V CB -0.957 30.919 31.823 0.089 0.000 0.641 430 V HN 0.458 nan 8.190 nan 0.000 0.446 431 S N -0.256 115.439 115.700 -0.009 0.000 2.368 431 S HA -0.316 4.154 4.470 -0.000 0.000 0.226 431 S C 1.954 176.538 174.600 -0.027 0.000 1.044 431 S CA 2.027 60.221 58.200 -0.009 0.000 1.062 431 S CB -0.400 62.785 63.200 -0.026 0.000 0.931 431 S HN 0.573 nan 8.310 nan 0.000 0.440 432 K N 0.101 120.435 120.400 -0.110 0.000 2.032 432 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 432 K C 2.156 178.662 176.600 -0.157 0.000 1.048 432 K CA 1.458 57.659 56.287 -0.143 0.000 0.927 432 K CB -0.382 31.976 32.500 -0.238 0.000 0.712 432 K HN 0.404 nan 8.250 nan 0.000 0.441 433 H N 0.815 119.741 119.070 -0.240 0.000 2.290 433 H HA -0.060 4.496 4.556 -0.000 0.000 0.298 433 H C 2.289 177.721 175.328 0.172 0.000 1.087 433 H CA 1.468 57.445 56.048 -0.118 0.000 1.291 433 H CB -0.079 29.702 29.762 0.033 0.000 1.369 433 H HN 0.170 nan 8.280 nan 0.000 0.492 434 R N 0.389 121.036 120.500 0.246 0.000 2.073 434 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 434 R C 2.626 179.024 176.300 0.163 0.000 1.134 434 R CA 1.651 57.866 56.100 0.193 0.000 0.952 434 R CB -0.285 30.092 30.300 0.128 0.000 0.850 434 R HN 0.373 nan 8.270 nan 0.000 0.433 435 S N 0.688 116.457 115.700 0.114 0.000 2.419 435 S HA -0.178 4.292 4.470 -0.000 0.000 0.235 435 S C 1.895 176.565 174.600 0.117 0.000 1.019 435 S CA 1.235 59.487 58.200 0.087 0.000 0.982 435 S CB -0.159 63.069 63.200 0.046 0.000 0.789 435 S HN 0.198 nan 8.310 nan 0.000 0.490 436 R N 0.904 121.510 120.500 0.177 0.000 2.317 436 R HA 0.350 4.690 4.340 -0.000 0.000 0.208 436 R C 1.391 177.897 176.300 0.343 0.000 0.914 436 R CA 0.757 56.994 56.100 0.230 0.000 1.060 436 R CB -0.215 30.210 30.300 0.209 0.000 1.015 436 R HN 0.550 nan 8.270 nan 0.000 0.498 437 G N -0.126 108.853 108.800 0.299 0.000 3.180 437 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.197 437 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.197 437 G C -0.542 174.476 174.900 0.197 0.000 1.149 437 G CA -0.234 45.009 45.100 0.237 0.000 0.847 437 G HN 0.265 nan 8.290 nan 0.000 0.469 438 K N 1.999 122.561 120.400 0.270 0.000 2.440 438 K HA 0.155 4.475 4.320 -0.000 0.000 0.275 438 K C 1.678 178.357 176.600 0.132 0.000 1.082 438 K CA 0.311 56.686 56.287 0.147 0.000 1.135 438 K CB 0.219 32.849 32.500 0.216 0.000 0.864 438 K HN 0.444 nan 8.250 nan 0.000 0.479 439 R N 1.482 122.033 120.500 0.085 0.000 2.115 439 R HA -0.041 4.299 4.340 -0.000 0.000 0.226 439 R C 0.657 177.019 176.300 0.102 0.000 1.100 439 R CA 1.307 57.460 56.100 0.088 0.000 0.980 439 R CB -0.113 30.231 30.300 0.073 0.000 0.875 439 R HN 0.700 nan 8.270 nan 0.000 0.445 440 T N -1.526 113.088 114.554 0.098 0.000 2.943 440 T HA 0.422 4.772 4.350 -0.000 0.000 0.284 440 T C -0.105 174.671 174.700 0.125 0.000 1.015 440 T CA -0.630 61.543 62.100 0.121 0.000 1.042 440 T CB 2.429 71.363 68.868 0.110 0.000 1.055 440 T HN -0.207 nan 8.240 nan 0.000 0.500 441 T N 2.704 117.348 114.554 0.150 0.000 2.965 441 T HA 0.463 4.813 4.350 -0.000 0.000 0.306 441 T C -0.916 173.890 174.700 0.177 0.000 0.991 441 T CA -0.632 61.558 62.100 0.150 0.000 1.001 441 T CB 0.427 69.373 68.868 0.130 0.000 0.984 441 T HN 0.533 nan 8.240 nan 0.000 0.446 442 I N 4.162 124.830 120.570 0.164 0.000 2.382 442 I HA 0.389 4.559 4.170 -0.000 0.000 0.285 442 I C -0.228 175.990 176.117 0.167 0.000 1.007 442 I CA -0.857 60.539 61.300 0.161 0.000 1.142 442 I CB 1.419 39.479 38.000 0.100 0.000 1.289 442 I HN 0.305 nan 8.210 nan 0.000 0.453 443 V N 7.362 127.378 119.914 0.170 0.000 2.328 443 V HA 0.310 4.430 4.120 -0.000 0.000 0.278 443 V C 0.285 176.452 176.094 0.122 0.000 1.021 443 V CA -0.726 61.695 62.300 0.202 0.000 0.838 443 V CB 2.017 33.965 31.823 0.208 0.000 0.999 443 V HN 0.387 nan 8.190 nan 0.000 0.447 444 V N 6.373 126.344 119.914 0.097 0.000 2.432 444 V HA 0.291 4.411 4.120 -0.000 0.000 0.271 444 V C 0.081 176.197 176.094 0.037 0.000 1.046 444 V CA -0.220 62.087 62.300 0.012 0.000 0.945 444 V CB 1.542 33.318 31.823 -0.078 0.000 0.992 444 V HN 0.599 nan 8.190 nan 0.000 0.471 445 V N 5.144 125.043 119.914 -0.026 0.000 2.350 445 V HA 0.560 4.680 4.120 -0.000 0.000 0.285 445 V C 0.613 176.675 176.094 -0.052 0.000 1.014 445 V CA -0.791 61.475 62.300 -0.057 0.000 0.831 445 V CB 1.469 33.150 31.823 -0.237 0.000 1.000 445 V HN 0.985 nan 8.190 nan 0.000 0.433 446 A N 3.708 126.519 122.820 -0.015 0.000 2.540 446 A HA 0.155 4.475 4.320 -0.000 0.000 0.239 446 A C 1.455 179.019 177.584 -0.033 0.000 1.061 446 A CA 0.510 52.534 52.037 -0.022 0.000 0.758 446 A CB 0.089 19.091 19.000 0.002 0.000 0.991 446 A HN 1.087 nan 8.150 nan 0.000 0.502 447 E N 2.633 122.811 120.200 -0.036 0.000 2.160 447 E HA -0.139 4.210 4.350 -0.000 0.000 0.195 447 E C 1.046 177.629 176.600 -0.028 0.000 0.991 447 E CA 1.293 57.669 56.400 -0.040 0.000 0.810 447 E CB -0.172 29.505 29.700 -0.040 0.000 0.742 447 E HN 0.645 nan 8.360 nan 0.000 0.466 448 G N 0.712 109.504 108.800 -0.014 0.000 3.702 448 G HA2 0.488 4.448 3.960 -0.000 0.000 0.288 448 G HA3 0.488 4.448 3.960 -0.000 0.000 0.288 448 G C 0.036 174.935 174.900 -0.002 0.000 1.193 448 G CA -0.026 45.071 45.100 -0.005 0.000 0.952 448 G HN 0.410 nan 8.290 nan 0.000 0.544 449 A N 0.704 123.522 122.820 -0.004 0.000 2.371 449 A HA 0.749 5.069 4.320 -0.000 0.000 0.257 449 A C 0.206 177.797 177.584 0.013 0.000 1.089 449 A CA -0.221 51.823 52.037 0.013 0.000 0.794 449 A CB 0.285 19.320 19.000 0.057 0.000 1.029 449 A HN 0.829 nan 8.150 nan 0.000 0.488 450 I N -2.292 118.286 120.570 0.014 0.000 3.174 450 I HA 0.851 5.021 4.170 -0.000 0.000 0.313 450 I C 0.029 176.185 176.117 0.065 0.000 1.155 450 I CA -1.279 60.045 61.300 0.039 0.000 0.977 450 I CB 1.862 39.879 38.000 0.028 0.000 1.248 450 I HN 0.676 nan 8.210 nan 0.000 0.453 451 A N 1.354 124.255 122.820 0.136 0.000 2.248 451 A HA 0.802 5.122 4.320 -0.000 0.000 0.316 451 A C 1.181 178.867 177.584 0.169 0.000 1.101 451 A CA -0.075 52.088 52.037 0.210 0.000 0.875 451 A CB 0.788 19.974 19.000 0.309 0.000 1.207 451 A HN 1.131 nan 8.150 nan 0.000 0.504 452 A N -0.064 122.884 122.820 0.214 0.000 2.024 452 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 452 A C 1.199 178.959 177.584 0.293 0.000 1.164 452 A CA 2.037 54.261 52.037 0.311 0.000 0.643 452 A CB -0.753 18.430 19.000 0.306 0.000 0.806 452 A HN 0.843 nan 8.150 nan 0.000 0.451 453 D N -1.680 118.841 120.400 0.202 0.000 2.324 453 D HA 0.176 4.816 4.640 -0.000 0.000 0.235 453 D C 0.602 176.993 176.300 0.152 0.000 1.095 453 D CA 0.122 54.216 54.000 0.157 0.000 0.871 453 D CB -0.117 40.755 40.800 0.121 0.000 0.906 453 D HN 0.159 nan 8.370 nan 0.000 0.522 454 L N -0.745 120.586 121.223 0.180 0.000 5.174 454 L HA -0.210 4.130 4.340 -0.000 0.000 0.420 454 L C 0.741 177.676 176.870 0.108 0.000 0.973 454 L CA 1.446 56.374 54.840 0.147 0.000 1.381 454 L CB -2.616 39.527 42.059 0.139 0.000 1.819 454 L HN 0.487 nan 8.230 nan 0.000 0.645 455 T N -1.229 113.393 114.554 0.113 0.000 2.898 455 T HA 0.532 4.882 4.350 -0.000 0.000 0.301 455 T C -2.053 172.705 174.700 0.098 0.000 1.049 455 T CA -1.143 61.017 62.100 0.099 0.000 1.095 455 T CB 1.401 70.334 68.868 0.108 0.000 0.976 455 T HN 0.192 nan 8.240 nan 0.000 0.539 456 P HA 0.409 nan 4.420 nan 0.000 0.278 456 P C -0.719 176.620 177.300 0.065 0.000 1.238 456 P CA -0.583 62.552 63.100 0.057 0.000 0.794 456 P CB 0.734 32.455 31.700 0.036 0.000 0.955 457 I N 1.770 122.355 120.570 0.026 0.000 2.355 457 I HA 0.190 4.360 4.170 -0.000 0.000 0.288 457 I C 1.060 177.103 176.117 -0.123 0.000 0.999 457 I CA -0.495 60.783 61.300 -0.036 0.000 1.163 457 I CB 1.571 39.507 38.000 -0.108 0.000 1.316 457 I HN 0.366 nan 8.210 nan 0.000 0.454 458 S N 5.985 121.617 115.700 -0.113 0.000 2.713 458 S HA 0.526 4.995 4.470 -0.000 0.000 0.283 458 S C -2.124 172.353 174.600 -0.205 0.000 1.161 458 S CA -1.351 56.775 58.200 -0.124 0.000 0.999 458 S CB 1.936 65.103 63.200 -0.056 0.000 1.039 458 S HN 0.288 nan 8.310 nan 0.000 0.548 459 P HA -0.011 nan 4.420 nan 0.000 0.217 459 P C 1.414 178.654 177.300 -0.100 0.000 1.150 459 P CA 1.198 64.193 63.100 -0.174 0.000 0.832 459 P CB -0.069 31.563 31.700 -0.113 0.000 0.787 460 S N -0.417 115.247 115.700 -0.061 0.000 2.348 460 S HA -0.179 4.291 4.470 -0.000 0.000 0.221 460 S C 1.579 176.214 174.600 0.058 0.000 1.033 460 S CA 1.529 59.731 58.200 0.003 0.000 1.010 460 S CB -1.288 61.905 63.200 -0.011 0.000 0.891 460 S HN 0.213 nan 8.310 nan 0.000 0.442 461 D N 1.285 121.698 120.400 0.021 0.000 2.154 461 D HA -0.121 4.519 4.640 -0.000 0.000 0.190 461 D C 2.061 178.442 176.300 0.135 0.000 1.003 461 D CA 1.279 55.341 54.000 0.103 0.000 0.849 461 D CB -0.622 40.236 40.800 0.096 0.000 0.942 461 D HN 0.272 nan 8.370 nan 0.000 0.446 462 V N 0.939 120.789 119.914 -0.108 0.000 2.427 462 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 462 V C 2.397 178.500 176.094 0.015 0.000 1.051 462 V CA 1.552 63.761 62.300 -0.151 0.000 1.048 462 V CB -0.707 30.773 31.823 -0.570 0.000 0.666 462 V HN 0.365 nan 8.190 nan 0.000 0.456 463 H N 1.672 120.704 119.070 -0.063 0.000 2.267 463 H HA -0.259 4.297 4.556 -0.000 0.000 0.297 463 H C 2.438 177.767 175.328 0.002 0.000 1.080 463 H CA 2.575 58.600 56.048 -0.038 0.000 1.278 463 H CB -0.037 29.695 29.762 -0.050 0.000 1.365 463 H HN 0.463 nan 8.280 nan 0.000 0.489 464 K N 0.446 120.876 120.400 0.049 0.000 2.015 464 K HA -0.144 4.176 4.320 -0.000 0.000 0.216 464 K C 2.317 178.900 176.600 -0.027 0.000 1.052 464 K CA 2.266 58.562 56.287 0.015 0.000 0.937 464 K CB -0.340 32.224 32.500 0.107 0.000 0.719 464 K HN 0.157 nan 8.250 nan 0.000 0.446 465 V N 1.712 121.665 119.914 0.065 0.000 2.282 465 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 465 V C 2.513 178.613 176.094 0.010 0.000 1.057 465 V CA 1.580 63.924 62.300 0.073 0.000 1.032 465 V CB -0.515 31.447 31.823 0.232 0.000 0.645 465 V HN 0.385 nan 8.190 nan 0.000 0.447 466 L N -0.339 120.875 121.223 -0.016 0.000 2.079 466 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 466 L C 2.393 179.199 176.870 -0.107 0.000 1.081 466 L CA 1.899 56.706 54.840 -0.054 0.000 0.752 466 L CB -1.102 40.910 42.059 -0.078 0.000 0.896 466 L HN 0.268 nan 8.230 nan 0.000 0.433 467 V N -0.554 119.244 119.914 -0.193 0.000 2.302 467 V HA -0.190 3.930 4.120 -0.000 0.000 0.243 467 V C 2.235 178.273 176.094 -0.094 0.000 1.036 467 V CA 1.419 63.611 62.300 -0.180 0.000 1.020 467 V CB -0.388 31.262 31.823 -0.288 0.000 0.657 467 V HN 0.288 nan 8.190 nan 0.000 0.453 468 D N -0.072 120.283 120.400 -0.075 0.000 2.078 468 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 468 D C 2.385 178.664 176.300 -0.035 0.000 0.990 468 D CA 1.248 55.223 54.000 -0.041 0.000 0.827 468 D CB -0.301 40.483 40.800 -0.026 0.000 0.975 468 D HN 0.105 nan 8.370 nan 0.000 0.451 469 R N 0.077 120.558 120.500 -0.033 0.000 2.062 469 R HA -0.004 4.336 4.340 -0.000 0.000 0.231 469 R C 1.954 178.237 176.300 -0.027 0.000 1.136 469 R CA 0.589 56.671 56.100 -0.031 0.000 0.948 469 R CB -0.409 29.872 30.300 -0.032 0.000 0.845 469 R HN 0.199 nan 8.270 nan 0.000 0.430 470 L N -0.180 121.027 121.223 -0.026 0.000 2.529 470 L HA 0.140 4.480 4.340 -0.000 0.000 0.223 470 L C 0.664 177.521 176.870 -0.023 0.000 1.113 470 L CA 1.039 55.867 54.840 -0.020 0.000 0.861 470 L CB -0.667 41.385 42.059 -0.011 0.000 1.012 470 L HN 0.476 nan 8.230 nan 0.000 0.461 471 G N 1.688 110.467 108.800 -0.035 0.000 2.366 471 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.299 471 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.299 471 G C -0.081 174.799 174.900 -0.034 0.000 1.020 471 G CA 0.712 45.791 45.100 -0.036 0.000 1.026 471 G HN 0.334 nan 8.290 nan 0.000 0.512 472 L N -2.643 118.551 121.223 -0.048 0.000 2.333 472 L HA 0.818 5.158 4.340 -0.000 0.000 0.269 472 L C 0.073 176.901 176.870 -0.070 0.000 1.010 472 L CA -2.073 52.743 54.840 -0.040 0.000 0.818 472 L CB 1.033 43.079 42.059 -0.021 0.000 1.306 472 L HN -0.027 nan 8.230 nan 0.000 0.430 473 D N 1.012 121.380 120.400 -0.053 0.000 2.426 473 D HA 0.240 4.880 4.640 -0.000 0.000 0.261 473 D C -0.716 175.499 176.300 -0.140 0.000 1.245 473 D CA 0.658 54.614 54.000 -0.073 0.000 0.917 473 D CB 0.389 41.166 40.800 -0.039 0.000 1.123 473 D HN 0.746 nan 8.370 nan 0.000 0.508 474 T N 4.849 119.315 114.554 -0.147 0.000 2.876 474 T HA 0.594 4.944 4.350 -0.000 0.000 0.289 474 T C -0.184 174.472 174.700 -0.073 0.000 1.014 474 T CA -0.922 61.073 62.100 -0.175 0.000 0.986 474 T CB 1.647 70.392 68.868 -0.205 0.000 1.021 474 T HN 0.155 nan 8.240 nan 0.000 0.458 475 R N 1.606 121.944 120.500 -0.269 0.000 2.744 475 R HA 0.605 4.945 4.340 -0.000 0.000 0.279 475 R C -1.006 175.279 176.300 -0.025 0.000 0.977 475 R CA -0.771 55.213 56.100 -0.193 0.000 0.906 475 R CB 1.975 32.037 30.300 -0.396 0.000 1.197 475 R HN 0.590 nan 8.270 nan 0.000 0.463 476 I N 0.985 121.551 120.570 -0.006 0.000 2.412 476 I HA 0.371 4.541 4.170 -0.000 0.000 0.296 476 I C -0.061 176.101 176.117 0.076 0.000 0.987 476 I CA -0.392 60.923 61.300 0.026 0.000 1.180 476 I CB 2.205 40.159 38.000 -0.075 0.000 1.340 476 I HN 0.331 nan 8.210 nan 0.000 0.455 477 T N 3.129 117.740 114.554 0.095 0.000 2.841 477 T HA 0.360 4.710 4.350 -0.000 0.000 0.285 477 T C -0.408 174.303 174.700 0.019 0.000 0.991 477 T CA -0.527 61.616 62.100 0.071 0.000 0.966 477 T CB 1.532 70.451 68.868 0.085 0.000 0.962 477 T HN 0.460 nan 8.240 nan 0.000 0.438 478 T N 4.332 118.888 114.554 0.003 0.000 2.893 478 T HA 0.293 4.643 4.350 -0.000 0.000 0.324 478 T C 1.698 176.392 174.700 -0.011 0.000 1.082 478 T CA -0.584 61.509 62.100 -0.012 0.000 0.983 478 T CB 0.374 69.232 68.868 -0.016 0.000 1.005 478 T HN 0.447 nan 8.240 nan 0.000 0.475 479 L N 2.124 123.336 121.223 -0.019 0.000 2.129 479 L HA -0.028 4.312 4.340 -0.000 0.000 0.212 479 L C 1.974 178.836 176.870 -0.014 0.000 1.087 479 L CA 1.175 56.005 54.840 -0.017 0.000 0.757 479 L CB -1.312 40.730 42.059 -0.027 0.000 0.896 479 L HN 0.937 nan 8.230 nan 0.000 0.434 480 G N -0.215 108.564 108.800 -0.036 0.000 2.578 480 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.275 480 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.275 480 G C 0.222 175.064 174.900 -0.097 0.000 1.271 480 G CA 0.720 45.792 45.100 -0.045 0.000 0.941 480 G HN 0.483 nan 8.290 nan 0.000 0.564 481 H N 0.451 119.516 119.070 -0.009 0.000 2.568 481 H HA 0.129 4.685 4.556 -0.000 0.000 0.281 481 H C 2.618 177.941 175.328 -0.008 0.000 1.028 481 H CA 1.437 57.480 56.048 -0.009 0.000 1.199 481 H CB -0.378 29.377 29.762 -0.011 0.000 1.352 481 H HN 0.837 nan 8.280 nan 0.000 0.605 482 V N -1.287 118.670 119.914 0.073 0.000 2.594 482 V HA -0.273 3.847 4.120 -0.000 0.000 0.253 482 V C 1.680 177.791 176.094 0.028 0.000 1.069 482 V CA 1.559 63.886 62.300 0.046 0.000 1.082 482 V CB -0.356 31.486 31.823 0.030 0.000 0.680 482 V HN 0.392 nan 8.190 nan 0.000 0.469 483 Q N -0.165 119.638 119.800 0.004 0.000 2.364 483 Q HA -0.054 4.286 4.340 -0.000 0.000 0.209 483 Q C 2.224 178.226 176.000 0.003 0.000 0.977 483 Q CA 1.201 56.998 55.803 -0.009 0.000 0.885 483 Q CB -0.154 28.559 28.738 -0.042 0.000 0.941 483 Q HN 0.579 nan 8.270 nan 0.000 0.464 484 R N -0.361 120.151 120.500 0.019 0.000 2.265 484 R HA 0.143 4.483 4.340 -0.000 0.000 0.194 484 R C 0.961 177.281 176.300 0.034 0.000 0.931 484 R CA 0.532 56.652 56.100 0.035 0.000 1.032 484 R CB 0.335 30.683 30.300 0.080 0.000 0.980 484 R HN 0.155 nan 8.270 nan 0.000 0.497 485 G N -0.453 108.367 108.800 0.034 0.000 2.606 485 G HA2 0.503 4.463 3.960 -0.000 0.000 0.262 485 G HA3 0.503 4.463 3.960 -0.000 0.000 0.262 485 G C -0.193 174.713 174.900 0.011 0.000 1.394 485 G CA 0.164 45.273 45.100 0.016 0.000 1.044 485 G HN 0.350 nan 8.290 nan 0.000 0.553 486 G N -2.245 106.555 108.800 0.001 0.000 2.707 486 G HA2 0.347 4.307 3.960 -0.000 0.000 0.686 486 G HA3 0.347 4.307 3.960 -0.000 0.000 0.686 486 G C 0.102 174.999 174.900 -0.006 0.000 1.315 486 G CA 0.432 45.534 45.100 0.002 0.000 0.832 486 G HN 1.827 nan 8.290 nan 0.000 0.573 487 T N -1.166 113.385 114.554 -0.005 0.000 2.874 487 T HA 0.819 5.169 4.350 -0.000 0.000 0.281 487 T C 0.911 175.615 174.700 0.008 0.000 0.994 487 T CA 0.845 62.939 62.100 -0.011 0.000 1.015 487 T CB 1.422 70.282 68.868 -0.015 0.000 1.028 487 T HN 2.352 nan 8.240 nan 0.000 0.523 488 A N 2.581 125.406 122.820 0.008 0.000 2.450 488 A HA 0.521 4.841 4.320 -0.000 0.000 0.255 488 A C 0.584 178.192 177.584 0.041 0.000 1.096 488 A CA -0.647 51.407 52.037 0.029 0.000 0.778 488 A CB -0.204 18.808 19.000 0.020 0.000 1.031 488 A HN 0.889 nan 8.150 nan 0.000 0.494 489 V N 2.613 122.571 119.914 0.073 0.000 2.999 489 V HA 0.135 4.255 4.120 -0.000 0.000 0.307 489 V C 1.918 178.063 176.094 0.085 0.000 1.084 489 V CA 0.811 63.163 62.300 0.087 0.000 1.155 489 V CB 0.744 32.648 31.823 0.135 0.000 0.975 489 V HN 1.191 nan 8.190 nan 0.000 0.490 490 A N 3.463 126.326 122.820 0.073 0.000 1.903 490 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 490 A C 1.972 179.603 177.584 0.078 0.000 1.191 490 A CA 2.561 54.636 52.037 0.063 0.000 0.638 490 A CB -0.976 18.059 19.000 0.058 0.000 0.823 490 A HN 1.023 nan 8.150 nan 0.000 0.451 491 Y N 0.932 121.229 120.300 -0.005 0.000 2.128 491 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 491 Y C 2.101 178.019 175.900 0.029 0.000 1.154 491 Y CA 2.159 60.246 58.100 -0.020 0.000 1.149 491 Y CB -0.259 38.131 38.460 -0.116 0.000 0.976 491 Y HN 0.379 nan 8.280 nan 0.000 0.505 492 D N -0.374 120.070 120.400 0.073 0.000 2.117 492 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 492 D C 2.299 178.561 176.300 -0.064 0.000 0.987 492 D CA 1.320 55.320 54.000 0.000 0.000 0.829 492 D CB -0.197 40.662 40.800 0.099 0.000 0.961 492 D HN 0.413 nan 8.370 nan 0.000 0.460 493 R N 0.403 120.886 120.500 -0.028 0.000 2.082 493 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 493 R C 2.656 178.914 176.300 -0.070 0.000 1.136 493 R CA 1.035 57.113 56.100 -0.036 0.000 0.935 493 R CB -0.558 29.732 30.300 -0.017 0.000 0.842 493 R HN 0.239 nan 8.270 nan 0.000 0.430 494 I N 0.898 121.421 120.570 -0.078 0.000 2.194 494 I HA -0.303 3.867 4.170 -0.000 0.000 0.246 494 I C 2.495 178.529 176.117 -0.138 0.000 1.093 494 I CA 0.955 62.208 61.300 -0.078 0.000 1.355 494 I CB -0.407 37.596 38.000 0.005 0.000 1.046 494 I HN 0.156 nan 8.210 nan 0.000 0.413 495 L N 1.465 122.526 121.223 -0.271 0.000 1.994 495 L HA -0.150 4.189 4.340 -0.000 0.000 0.208 495 L C 2.608 179.392 176.870 -0.144 0.000 1.071 495 L CA 2.271 56.942 54.840 -0.281 0.000 0.745 495 L CB -0.905 40.880 42.059 -0.458 0.000 0.892 495 L HN 0.185 nan 8.230 nan 0.000 0.431 496 A N -1.683 121.068 122.820 -0.116 0.000 1.940 496 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 496 A C 2.254 179.801 177.584 -0.061 0.000 1.176 496 A CA 2.299 54.294 52.037 -0.069 0.000 0.631 496 A CB -1.228 17.744 19.000 -0.048 0.000 0.814 496 A HN 0.561 nan 8.150 nan 0.000 0.446 497 T N 0.229 114.742 114.554 -0.069 0.000 2.821 497 T HA -0.023 4.327 4.350 -0.000 0.000 0.267 497 T C 1.765 176.426 174.700 -0.065 0.000 1.046 497 T CA 1.390 63.449 62.100 -0.069 0.000 1.139 497 T CB -0.283 68.539 68.868 -0.078 0.000 0.871 497 T HN 0.391 nan 8.240 nan 0.000 0.454 498 L N 0.528 121.714 121.223 -0.061 0.000 2.095 498 L HA -0.018 4.321 4.340 -0.000 0.000 0.204 498 L C 2.880 179.730 176.870 -0.033 0.000 1.080 498 L CA 1.082 55.896 54.840 -0.043 0.000 0.759 498 L CB -0.555 41.488 42.059 -0.027 0.000 0.914 498 L HN 0.249 nan 8.230 nan 0.000 0.439 499 Q N 0.038 119.815 119.800 -0.039 0.000 2.124 499 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 499 Q C 2.295 178.278 176.000 -0.027 0.000 0.977 499 Q CA 1.482 57.267 55.803 -0.030 0.000 0.850 499 Q CB -0.358 28.360 28.738 -0.034 0.000 0.901 499 Q HN 0.614 nan 8.270 nan 0.000 0.429 500 G N 1.264 110.042 108.800 -0.036 0.000 2.418 500 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 500 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 500 G C 1.396 176.279 174.900 -0.030 0.000 1.158 500 G CA 0.718 45.797 45.100 -0.036 0.000 0.771 500 G HN 0.273 nan 8.290 nan 0.000 0.545 501 L N 0.845 122.050 121.223 -0.030 0.000 2.017 501 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 501 L C 2.512 179.384 176.870 0.004 0.000 1.073 501 L CA 2.678 57.509 54.840 -0.014 0.000 0.745 501 L CB -0.848 41.200 42.059 -0.018 0.000 0.894 501 L HN 0.275 nan 8.230 nan 0.000 0.432 502 E N 0.029 120.229 120.200 -0.000 0.000 2.077 502 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 502 E C 2.138 178.740 176.600 0.003 0.000 0.989 502 E CA 1.547 57.951 56.400 0.006 0.000 0.800 502 E CB -0.494 29.208 29.700 0.004 0.000 0.746 502 E HN 0.565 nan 8.360 nan 0.000 0.452 503 A N 0.042 122.859 122.820 -0.006 0.000 1.948 503 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 503 A C 2.497 180.078 177.584 -0.005 0.000 1.177 503 A CA 1.777 53.809 52.037 -0.009 0.000 0.636 503 A CB -0.802 18.188 19.000 -0.017 0.000 0.815 503 A HN 0.218 nan 8.150 nan 0.000 0.449 504 V N 0.712 120.627 119.914 0.000 0.000 2.358 504 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 504 V C 2.303 178.406 176.094 0.015 0.000 1.047 504 V CA 2.029 64.334 62.300 0.009 0.000 1.035 504 V CB -0.884 30.952 31.823 0.022 0.000 0.658 504 V HN 0.563 nan 8.190 nan 0.000 0.452 505 N N 0.603 119.316 118.700 0.021 0.000 2.104 505 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 505 N C 1.887 177.403 175.510 0.010 0.000 1.024 505 N CA 1.751 54.815 53.050 0.023 0.000 0.853 505 N CB -0.492 38.012 38.487 0.029 0.000 1.008 505 N HN 0.500 nan 8.380 nan 0.000 0.424 506 A N 0.987 123.809 122.820 0.004 0.000 1.845 506 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 506 A C 2.469 180.045 177.584 -0.012 0.000 1.195 506 A CA 2.360 54.395 52.037 -0.004 0.000 0.616 506 A CB -1.095 17.902 19.000 -0.005 0.000 0.832 506 A HN 0.208 nan 8.150 nan 0.000 0.443 507 V N -1.975 117.930 119.914 -0.014 0.000 2.594 507 V HA -0.153 3.967 4.120 -0.000 0.000 0.253 507 V C 2.189 178.268 176.094 -0.025 0.000 1.069 507 V CA 1.836 64.121 62.300 -0.025 0.000 1.082 507 V CB -0.941 30.865 31.823 -0.028 0.000 0.680 507 V HN 0.452 nan 8.190 nan 0.000 0.469 508 L N 1.116 122.332 121.223 -0.012 0.000 2.291 508 L HA -0.028 4.312 4.340 -0.000 0.000 0.214 508 L C 2.604 179.467 176.870 -0.012 0.000 1.120 508 L CA 1.877 56.712 54.840 -0.008 0.000 0.799 508 L CB -0.326 41.736 42.059 0.005 0.000 0.925 508 L HN 0.652 nan 8.230 nan 0.000 0.446 509 E N -1.127 119.065 120.200 -0.013 0.000 2.538 509 E HA 0.065 4.415 4.350 -0.000 0.000 0.207 509 E C 0.698 177.282 176.600 -0.026 0.000 1.002 509 E CA -0.148 56.242 56.400 -0.016 0.000 0.952 509 E CB 0.355 30.050 29.700 -0.008 0.000 1.031 509 E HN 0.184 nan 8.360 nan 0.000 0.476 510 S N 1.411 117.091 115.700 -0.034 0.000 2.592 510 S HA 0.284 4.754 4.470 -0.000 0.000 0.271 510 S C 0.270 174.832 174.600 -0.062 0.000 1.326 510 S CA 0.124 58.296 58.200 -0.046 0.000 1.024 510 S CB 1.202 64.372 63.200 -0.050 0.000 0.921 510 S HN 0.304 nan 8.310 nan 0.000 0.527 511 T N -0.046 114.462 114.554 -0.077 0.000 2.887 511 T HA 0.592 4.942 4.350 -0.000 0.000 0.292 511 T C -2.487 172.119 174.700 -0.156 0.000 1.087 511 T CA -1.834 60.200 62.100 -0.109 0.000 1.009 511 T CB 1.013 69.827 68.868 -0.090 0.000 1.203 511 T HN 0.307 nan 8.240 nan 0.000 0.518 512 P HA -0.020 nan 4.420 nan 0.000 0.220 512 P C 0.231 177.422 177.300 -0.182 0.000 1.144 512 P CA 1.203 64.099 63.100 -0.340 0.000 0.800 512 P CB -0.077 31.230 31.700 -0.654 0.000 0.772 513 D N -2.705 117.617 120.400 -0.130 0.000 2.366 513 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 513 D C 0.422 176.688 176.300 -0.057 0.000 1.022 513 D CA 0.407 54.360 54.000 -0.078 0.000 0.868 513 D CB -0.450 40.313 40.800 -0.062 0.000 0.953 513 D HN 0.188 nan 8.370 nan 0.000 0.514 514 T N 0.078 114.595 114.554 -0.061 0.000 2.870 514 T HA 0.338 4.688 4.350 -0.000 0.000 0.300 514 T C -2.473 172.205 174.700 -0.036 0.000 0.989 514 T CA -1.743 60.332 62.100 -0.043 0.000 1.139 514 T CB 1.124 69.966 68.868 -0.042 0.000 0.920 514 T HN -0.253 nan 8.240 nan 0.000 0.537 515 P HA 0.220 nan 4.420 nan 0.000 0.271 515 P C -0.227 177.065 177.300 -0.013 0.000 1.218 515 P CA -0.403 62.688 63.100 -0.014 0.000 0.780 515 P CB 0.394 32.090 31.700 -0.007 0.000 0.901 516 S N 4.662 120.358 115.700 -0.007 0.000 2.555 516 S HA 0.088 4.558 4.470 -0.000 0.000 0.293 516 S C -1.680 172.920 174.600 0.001 0.000 1.248 516 S CA -0.435 57.763 58.200 -0.003 0.000 1.096 516 S CB -0.662 62.546 63.200 0.012 0.000 0.881 516 S HN 0.407 nan 8.310 nan 0.000 0.498 517 P HA 0.478 nan 4.420 nan 0.000 0.277 517 P C -0.770 176.530 177.300 0.001 0.000 1.271 517 P CA -0.709 62.390 63.100 -0.002 0.000 0.795 517 P CB 0.825 32.521 31.700 -0.007 0.000 1.101 518 L N -0.339 120.884 121.223 0.001 0.000 2.611 518 L HA 0.467 4.807 4.340 -0.000 0.000 0.260 518 L C -1.690 175.179 176.870 -0.002 0.000 0.924 518 L CA -0.889 53.951 54.840 0.000 0.000 0.901 518 L CB 1.473 43.534 42.059 0.003 0.000 1.369 518 L HN 0.036 nan 8.230 nan 0.000 0.415 519 I N 4.324 124.891 120.570 -0.005 0.000 2.365 519 I HA 0.804 4.974 4.170 -0.000 0.000 0.291 519 I C 0.547 176.660 176.117 -0.006 0.000 1.004 519 I CA 0.444 61.741 61.300 -0.005 0.000 1.311 519 I CB 1.528 39.524 38.000 -0.007 0.000 1.401 519 I HN 0.777 nan 8.210 nan 0.000 0.491 520 A N 5.291 128.111 122.820 -0.000 0.000 2.507 520 A HA 0.971 5.291 4.320 -0.000 0.000 0.284 520 A C -1.353 176.238 177.584 0.012 0.000 1.281 520 A CA -0.603 51.435 52.037 0.002 0.000 0.744 520 A CB 1.553 20.554 19.000 0.002 0.000 1.332 520 A HN 0.403 nan 8.150 nan 0.000 0.454 521 V N 0.629 120.556 119.914 0.022 0.000 2.638 521 V HA 0.592 4.712 4.120 -0.000 0.000 0.306 521 V C -1.303 174.819 176.094 0.047 0.000 1.052 521 V CA -0.994 61.331 62.300 0.042 0.000 0.885 521 V CB 1.651 33.518 31.823 0.073 0.000 0.999 521 V HN 0.708 nan 8.190 nan 0.000 0.424 522 N N 2.826 121.553 118.700 0.044 0.000 2.352 522 N HA 0.356 5.096 4.740 -0.000 0.000 0.291 522 N C -0.660 174.874 175.510 0.040 0.000 1.040 522 N CA -0.481 52.595 53.050 0.042 0.000 0.864 522 N CB 2.044 40.549 38.487 0.030 0.000 1.440 522 N HN 0.777 nan 8.380 nan 0.000 0.483 523 E N 1.197 121.426 120.200 0.048 0.000 2.246 523 E HA -0.235 4.115 4.350 -0.000 0.000 0.173 523 E C -0.623 175.997 176.600 0.034 0.000 1.532 523 E CA 0.284 56.703 56.400 0.031 0.000 0.672 523 E CB -1.298 28.388 29.700 -0.023 0.000 1.078 523 E HN 0.548 nan 8.360 nan 0.000 0.338 524 N N 0.420 119.162 118.700 0.070 0.000 2.722 524 N HA -0.234 4.506 4.740 -0.000 0.000 0.274 524 N C -0.266 175.287 175.510 0.073 0.000 0.987 524 N CA 1.710 54.816 53.050 0.093 0.000 0.817 524 N CB -0.333 38.212 38.487 0.098 0.000 0.921 524 N HN 0.416 nan 8.380 nan 0.000 0.565 525 K N 0.959 121.395 120.400 0.059 0.000 2.581 525 K HA 0.365 4.685 4.320 -0.000 0.000 0.249 525 K C -0.833 175.792 176.600 0.041 0.000 0.966 525 K CA -0.624 55.691 56.287 0.047 0.000 0.811 525 K CB 0.831 33.346 32.500 0.026 0.000 1.223 525 K HN -0.023 nan 8.250 nan 0.000 0.438 526 I N 5.880 126.473 120.570 0.039 0.000 2.517 526 I HA 0.170 4.340 4.170 -0.000 0.000 0.285 526 I C 0.176 176.305 176.117 0.021 0.000 1.106 526 I CA -0.128 61.187 61.300 0.026 0.000 1.402 526 I CB 0.166 38.178 38.000 0.020 0.000 1.399 526 I HN 0.515 nan 8.210 nan 0.000 0.535 527 V N 5.515 125.439 119.914 0.016 0.000 3.130 527 V HA 0.648 4.768 4.120 -0.000 0.000 0.310 527 V C -0.246 175.853 176.094 0.009 0.000 1.158 527 V CA -1.296 61.012 62.300 0.013 0.000 1.029 527 V CB 2.335 34.167 31.823 0.015 0.000 1.057 527 V HN 0.624 nan 8.190 nan 0.000 0.436 528 R N 1.181 121.685 120.500 0.008 0.000 2.404 528 R HA 0.757 5.097 4.340 -0.000 0.000 0.291 528 R C -1.071 175.232 176.300 0.005 0.000 1.025 528 R CA -0.760 55.343 56.100 0.005 0.000 0.991 528 R CB 1.495 31.797 30.300 0.003 0.000 1.053 528 R HN 0.655 nan 8.270 nan 0.000 0.479 529 K N 1.995 122.398 120.400 0.004 0.000 2.426 529 K HA 0.404 4.724 4.320 -0.000 0.000 0.251 529 K C -2.755 173.848 176.600 0.004 0.000 0.941 529 K CA -2.288 54.002 56.287 0.005 0.000 0.808 529 K CB 2.057 34.559 32.500 0.005 0.000 1.265 529 K HN 0.194 nan 8.250 nan 0.000 0.432 530 P HA 0.018 nan 4.420 nan 0.000 0.276 530 P C 0.583 177.887 177.300 0.008 0.000 1.253 530 P CA -0.405 62.698 63.100 0.005 0.000 0.766 530 P CB 0.601 32.304 31.700 0.005 0.000 0.845 531 L N 4.505 125.734 121.223 0.010 0.000 1.976 531 L HA -0.245 4.095 4.340 -0.000 0.000 0.223 531 L C 1.780 178.659 176.870 0.016 0.000 1.081 531 L CA 2.401 57.250 54.840 0.015 0.000 0.784 531 L CB -1.092 40.980 42.059 0.021 0.000 0.896 531 L HN 0.482 nan 8.230 nan 0.000 0.438 532 M N -0.852 118.758 119.600 0.017 0.000 2.115 532 M HA -0.274 4.206 4.480 -0.000 0.000 0.258 532 M C 2.072 178.380 176.300 0.014 0.000 1.071 532 M CA 2.346 57.656 55.300 0.017 0.000 1.100 532 M CB -0.440 32.170 32.600 0.017 0.000 1.292 532 M HN 0.265 nan 8.290 nan 0.000 0.415 533 E N 0.339 120.546 120.200 0.011 0.000 2.086 533 E HA -0.184 4.166 4.350 -0.000 0.000 0.200 533 E C 1.745 178.350 176.600 0.008 0.000 1.012 533 E CA 2.460 58.865 56.400 0.009 0.000 0.812 533 E CB -0.320 29.385 29.700 0.008 0.000 0.743 533 E HN 0.396 nan 8.360 nan 0.000 0.453 534 S N -0.747 114.957 115.700 0.008 0.000 2.353 534 S HA -0.156 4.314 4.470 -0.000 0.000 0.222 534 S C 2.047 176.650 174.600 0.006 0.000 1.035 534 S CA 1.415 59.618 58.200 0.005 0.000 1.025 534 S CB -0.460 62.743 63.200 0.005 0.000 0.902 534 S HN 0.217 nan 8.310 nan 0.000 0.440 535 V N 2.025 121.945 119.914 0.010 0.000 2.427 535 V HA -0.140 3.980 4.120 -0.000 0.000 0.248 535 V C 2.359 178.459 176.094 0.010 0.000 1.051 535 V CA 1.656 63.963 62.300 0.011 0.000 1.048 535 V CB -0.561 31.273 31.823 0.018 0.000 0.666 535 V HN 0.431 nan 8.190 nan 0.000 0.456 536 K N 0.125 120.532 120.400 0.011 0.000 2.026 536 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 536 K C 2.167 178.772 176.600 0.008 0.000 1.048 536 K CA 1.571 57.864 56.287 0.010 0.000 0.929 536 K CB -0.241 32.266 32.500 0.011 0.000 0.713 536 K HN 0.368 nan 8.250 nan 0.000 0.439 537 L N 0.642 121.868 121.223 0.006 0.000 2.191 537 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 537 L C 2.114 178.983 176.870 -0.000 0.000 1.103 537 L CA 1.349 56.191 54.840 0.003 0.000 0.769 537 L CB -0.244 41.816 42.059 0.002 0.000 0.908 537 L HN 0.357 nan 8.230 nan 0.000 0.438 538 T N -1.452 113.102 114.554 -0.001 0.000 2.809 538 T HA -0.089 4.261 4.350 -0.000 0.000 0.260 538 T C 1.867 176.568 174.700 0.001 0.000 1.039 538 T CA 0.519 62.616 62.100 -0.004 0.000 1.141 538 T CB 0.031 68.897 68.868 -0.004 0.000 0.869 538 T HN 0.099 nan 8.240 nan 0.000 0.437 539 K N 1.824 122.228 120.400 0.006 0.000 2.211 539 K HA 0.038 4.358 4.320 -0.000 0.000 0.204 539 K C 2.470 179.077 176.600 0.010 0.000 1.047 539 K CA 1.100 57.392 56.287 0.010 0.000 0.935 539 K CB -0.801 31.706 32.500 0.012 0.000 0.728 539 K HN 0.375 nan 8.250 nan 0.000 0.452 540 A N 1.336 124.160 122.820 0.008 0.000 1.849 540 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 540 A C 2.483 180.074 177.584 0.011 0.000 1.202 540 A CA 2.304 54.346 52.037 0.008 0.000 0.629 540 A CB -1.015 17.988 19.000 0.005 0.000 0.834 540 A HN 0.044 nan 8.150 nan 0.000 0.447 541 V N 0.024 119.940 119.914 0.004 0.000 2.252 541 V HA -0.396 3.724 4.120 -0.000 0.000 0.255 541 V C 3.043 179.150 176.094 0.022 0.000 1.071 541 V CA 2.595 64.897 62.300 0.003 0.000 1.050 541 V CB -1.589 30.224 31.823 -0.018 0.000 0.654 541 V HN 0.710 nan 8.190 nan 0.000 0.448 542 A N -0.657 122.175 122.820 0.019 0.000 1.892 542 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 542 A C 2.151 179.759 177.584 0.039 0.000 1.188 542 A CA 2.365 54.420 52.037 0.029 0.000 0.631 542 A CB -0.590 18.424 19.000 0.023 0.000 0.822 542 A HN 0.670 nan 8.150 nan 0.000 0.447 543 E N -0.480 119.738 120.200 0.031 0.000 2.017 543 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 543 E C 2.414 179.036 176.600 0.037 0.000 0.997 543 E CA 1.117 57.535 56.400 0.030 0.000 0.804 543 E CB -0.389 29.323 29.700 0.020 0.000 0.757 543 E HN 0.592 nan 8.360 nan 0.000 0.448 544 A N 1.447 124.289 122.820 0.036 0.000 1.903 544 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 544 A C 2.167 179.803 177.584 0.087 0.000 1.191 544 A CA 1.671 53.734 52.037 0.043 0.000 0.638 544 A CB -0.753 18.273 19.000 0.044 0.000 0.823 544 A HN 0.186 nan 8.150 nan 0.000 0.451 545 I N -0.479 120.171 120.570 0.134 0.000 2.226 545 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 545 I C 2.415 178.654 176.117 0.204 0.000 1.100 545 I CA 1.240 62.686 61.300 0.243 0.000 1.374 545 I CB -1.519 36.578 38.000 0.163 0.000 1.057 545 I HN 0.385 nan 8.210 nan 0.000 0.413 546 Q N 0.515 120.382 119.800 0.112 0.000 2.364 546 Q HA -0.019 4.321 4.340 -0.000 0.000 0.209 546 Q C 1.400 177.433 176.000 0.055 0.000 0.977 546 Q CA 1.061 56.913 55.803 0.082 0.000 0.885 546 Q CB -0.156 28.614 28.738 0.054 0.000 0.941 546 Q HN 0.523 nan 8.270 nan 0.000 0.464 547 A N 0.089 122.928 122.820 0.032 0.000 2.827 547 A HA 0.287 4.607 4.320 -0.000 0.000 0.300 547 A C 0.466 177.985 177.584 -0.107 0.000 1.237 547 A CA -0.280 51.744 52.037 -0.021 0.000 0.964 547 A CB 0.139 19.128 19.000 -0.020 0.000 1.143 547 A HN 0.158 nan 8.150 nan 0.000 0.554 548 K N -0.185 120.123 120.400 -0.154 0.000 3.186 548 K HA -0.227 4.093 4.320 -0.000 0.000 0.302 548 K C 0.109 176.150 176.600 -0.932 0.000 1.160 548 K CA 1.498 57.421 56.287 -0.608 0.000 0.911 548 K CB -0.996 31.241 32.500 -0.439 0.000 1.228 548 K HN 0.635 nan 8.250 nan 0.000 0.430 549 D N 0.071 120.236 120.400 -0.393 0.000 2.508 549 D HA 0.084 4.724 4.640 -0.000 0.000 0.224 549 D C 0.644 176.906 176.300 -0.063 0.000 1.171 549 D CA -0.024 53.830 54.000 -0.243 0.000 1.006 549 D CB -0.478 40.265 40.800 -0.096 0.000 1.073 549 D HN 0.217 nan 8.370 nan 0.000 0.513 550 F N 1.805 121.762 119.950 0.013 0.000 2.186 550 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 550 F C 2.602 178.403 175.800 0.001 0.000 1.090 550 F CA 0.268 58.273 58.000 0.009 0.000 1.307 550 F CB -0.024 38.990 39.000 0.023 0.000 1.019 550 F HN 0.291 nan 8.300 nan 0.000 0.489 551 K N 0.947 121.454 120.400 0.177 0.000 2.147 551 K HA -0.197 4.123 4.320 -0.000 0.000 0.205 551 K C 1.963 178.602 176.600 0.065 0.000 1.049 551 K CA 1.072 57.423 56.287 0.106 0.000 0.936 551 K CB -0.742 31.803 32.500 0.075 0.000 0.722 551 K HN 0.169 nan 8.250 nan 0.000 0.446 552 R N 1.527 122.058 120.500 0.052 0.000 2.066 552 R HA 0.023 4.363 4.340 -0.000 0.000 0.232 552 R C 2.322 178.634 176.300 0.020 0.000 1.131 552 R CA 1.754 57.872 56.100 0.029 0.000 0.955 552 R CB -0.873 29.439 30.300 0.020 0.000 0.851 552 R HN 0.334 nan 8.270 nan 0.000 0.432 553 A N 1.011 123.854 122.820 0.038 0.000 1.883 553 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 553 A C 2.379 179.911 177.584 -0.086 0.000 1.186 553 A CA 1.865 53.901 52.037 -0.002 0.000 0.624 553 A CB -0.614 18.412 19.000 0.042 0.000 0.822 553 A HN 0.468 nan 8.150 nan 0.000 0.444 554 M N 0.663 120.217 119.600 -0.078 0.000 2.267 554 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 554 M C 2.163 178.395 176.300 -0.114 0.000 1.063 554 M CA 1.984 57.182 55.300 -0.171 0.000 1.090 554 M CB -0.174 32.410 32.600 -0.027 0.000 1.392 554 M HN 0.623 nan 8.290 nan 0.000 0.422 555 S N -0.317 115.361 115.700 -0.036 0.000 2.436 555 S HA -0.029 4.441 4.470 -0.000 0.000 0.228 555 S C 1.626 176.216 174.600 -0.016 0.000 1.014 555 S CA 0.523 58.721 58.200 -0.003 0.000 0.950 555 S CB -0.692 62.518 63.200 0.017 0.000 0.784 555 S HN 0.614 nan 8.310 nan 0.000 0.504 556 L N 0.826 122.024 121.223 -0.043 0.000 2.465 556 L HA 0.108 4.448 4.340 -0.000 0.000 0.224 556 L C 1.960 178.796 176.870 -0.056 0.000 1.145 556 L CA 0.163 54.980 54.840 -0.038 0.000 0.834 556 L CB -0.277 41.760 42.059 -0.036 0.000 0.944 556 L HN 0.224 nan 8.230 nan 0.000 0.451 557 R N 0.937 121.373 120.500 -0.107 0.000 3.066 557 R HA 0.070 4.410 4.340 -0.000 0.000 0.220 557 R C -0.013 176.308 176.300 0.035 0.000 1.122 557 R CA -0.285 55.759 56.100 -0.093 0.000 1.083 557 R CB -0.196 29.910 30.300 -0.323 0.000 0.947 557 R HN 0.107 nan 8.270 nan 0.000 0.495 558 D N -0.527 119.957 120.400 0.140 0.000 2.344 558 D HA -0.066 4.574 4.640 -0.000 0.000 0.244 558 D C 0.766 177.170 176.300 0.173 0.000 1.134 558 D CA -0.082 54.001 54.000 0.137 0.000 0.930 558 D CB 0.710 41.584 40.800 0.124 0.000 1.175 558 D HN 0.401 nan 8.370 nan 0.000 0.437 559 T N -0.157 114.471 114.554 0.123 0.000 2.836 559 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 559 T C 1.026 175.797 174.700 0.119 0.000 1.080 559 T CA 2.156 64.323 62.100 0.112 0.000 1.128 559 T CB -0.288 68.638 68.868 0.097 0.000 0.839 559 T HN 0.710 nan 8.240 nan 0.000 0.507 560 E N -1.211 119.079 120.200 0.150 0.000 2.876 560 E HA 0.204 4.554 4.350 -0.000 0.000 0.208 560 E C 1.182 177.856 176.600 0.124 0.000 0.981 560 E CA -0.464 55.978 56.400 0.069 0.000 1.174 560 E CB -0.660 29.004 29.700 -0.060 0.000 1.047 560 E HN 0.502 nan 8.360 nan 0.000 0.477 561 F N 1.716 121.753 119.950 0.144 0.000 2.075 561 F HA -0.101 4.426 4.527 -0.000 0.000 0.297 561 F C 1.815 177.698 175.800 0.138 0.000 1.113 561 F CA 1.832 59.961 58.000 0.214 0.000 1.218 561 F CB 0.098 39.215 39.000 0.195 0.000 0.984 561 F HN -0.007 nan 8.300 nan 0.000 0.472 562 I N 0.235 121.075 120.570 0.450 0.000 2.226 562 I HA -0.298 3.871 4.170 -0.000 0.000 0.245 562 I C 2.418 178.613 176.117 0.129 0.000 1.100 562 I CA 1.794 63.274 61.300 0.300 0.000 1.374 562 I CB -0.723 37.407 38.000 0.218 0.000 1.057 562 I HN 0.280 nan 8.210 nan 0.000 0.413 563 E N 0.470 120.697 120.200 0.045 0.000 2.058 563 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 563 E C 2.268 178.843 176.600 -0.042 0.000 0.997 563 E CA 1.440 57.818 56.400 -0.036 0.000 0.801 563 E CB 0.016 29.641 29.700 -0.125 0.000 0.746 563 E HN 0.504 nan 8.360 nan 0.000 0.450 564 H N 0.410 119.466 119.070 -0.022 0.000 2.319 564 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 564 H C 2.343 177.644 175.328 -0.045 0.000 1.092 564 H CA 1.321 57.322 56.048 -0.077 0.000 1.302 564 H CB -0.470 29.168 29.762 -0.207 0.000 1.373 564 H HN 0.261 nan 8.280 nan 0.000 0.497 565 L N 0.707 121.966 121.223 0.061 0.000 1.989 565 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 565 L C 2.104 179.057 176.870 0.138 0.000 1.071 565 L CA 1.347 56.237 54.840 0.082 0.000 0.749 565 L CB -0.180 41.940 42.059 0.101 0.000 0.890 565 L HN 0.249 nan 8.230 nan 0.000 0.431 566 N N 0.368 119.133 118.700 0.108 0.000 2.069 566 N HA -0.209 4.531 4.740 -0.000 0.000 0.191 566 N C 1.520 177.088 175.510 0.097 0.000 1.031 566 N CA 1.520 54.627 53.050 0.096 0.000 0.852 566 N CB -0.791 37.745 38.487 0.082 0.000 1.018 566 N HN 0.402 nan 8.380 nan 0.000 0.423 567 N N 0.765 119.517 118.700 0.086 0.000 2.104 567 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 567 N C 1.690 177.275 175.510 0.124 0.000 1.024 567 N CA 0.632 53.726 53.050 0.075 0.000 0.853 567 N CB -0.635 37.890 38.487 0.064 0.000 1.008 567 N HN 0.209 nan 8.380 nan 0.000 0.424 568 F N 2.380 122.350 119.950 0.033 0.000 2.046 568 F HA -0.146 4.381 4.527 -0.000 0.000 0.297 568 F C 2.346 178.177 175.800 0.051 0.000 1.123 568 F CA 1.301 59.316 58.000 0.025 0.000 1.199 568 F CB -0.421 38.553 39.000 -0.043 0.000 0.972 568 F HN -0.119 nan 8.300 nan 0.000 0.474 569 M N 0.726 120.234 119.600 -0.153 0.000 2.113 569 M HA -0.303 4.177 4.480 -0.000 0.000 0.255 569 M C 2.456 178.665 176.300 -0.152 0.000 1.073 569 M CA 2.046 57.230 55.300 -0.193 0.000 1.091 569 M CB -2.150 30.439 32.600 -0.017 0.000 1.309 569 M HN 0.365 nan 8.290 nan 0.000 0.407 570 A N 1.524 124.337 122.820 -0.011 0.000 1.829 570 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 570 A C 2.118 179.725 177.584 0.039 0.000 1.207 570 A CA 2.183 54.267 52.037 0.079 0.000 0.622 570 A CB -1.290 17.908 19.000 0.330 0.000 0.846 570 A HN 0.669 nan 8.150 nan 0.000 0.447 571 I N -1.802 118.810 120.570 0.071 0.000 2.502 571 I HA -0.273 3.897 4.170 -0.000 0.000 0.258 571 I C 1.975 178.116 176.117 0.040 0.000 1.172 571 I CA 2.362 63.698 61.300 0.059 0.000 1.430 571 I CB -0.645 37.414 38.000 0.099 0.000 1.086 571 I HN 0.565 nan 8.210 nan 0.000 0.440 572 N N 1.357 119.965 118.700 -0.152 0.000 2.207 572 N HA -0.166 4.574 4.740 -0.000 0.000 0.182 572 N C 2.038 177.583 175.510 0.058 0.000 1.020 572 N CA 1.382 54.351 53.050 -0.136 0.000 0.858 572 N CB 0.103 38.188 38.487 -0.670 0.000 0.991 572 N HN 0.625 nan 8.380 nan 0.000 0.427 573 S N 1.032 116.709 115.700 -0.037 0.000 2.325 573 S HA 0.103 4.573 4.470 -0.000 0.000 0.213 573 S C 1.020 175.642 174.600 0.037 0.000 1.031 573 S CA 0.478 58.660 58.200 -0.029 0.000 0.984 573 S CB -0.960 62.207 63.200 -0.055 0.000 0.939 573 S HN 0.485 nan 8.310 nan 0.000 0.438 574 A N 2.944 125.765 122.820 0.002 0.000 1.507 574 A HA -0.050 4.270 4.320 -0.000 0.000 0.289 574 A C 0.959 178.463 177.584 -0.133 0.000 1.113 574 A CA 1.250 53.270 52.037 -0.029 0.000 1.249 574 A CB -1.689 17.340 19.000 0.048 0.000 0.887 574 A HN 1.434 nan 8.150 nan 0.000 0.186 575 D N 0.808 121.090 120.400 -0.197 0.000 3.006 575 D HA -0.290 4.350 4.640 -0.000 0.000 0.208 575 D C 0.487 176.508 176.300 -0.465 0.000 1.116 575 D CA 2.341 56.156 54.000 -0.309 0.000 0.998 575 D CB -1.629 38.977 40.800 -0.323 0.000 1.124 575 D HN 0.956 nan 8.370 nan 0.000 0.413 576 H N 0.018 118.897 119.070 -0.320 0.000 2.563 576 H HA 0.260 4.816 4.556 -0.000 0.000 0.264 576 H C 0.246 175.428 175.328 -0.243 0.000 0.957 576 H CA 0.602 56.437 56.048 -0.355 0.000 1.173 576 H CB 0.231 29.695 29.762 -0.497 0.000 1.420 576 H HN 0.380 nan 8.280 nan 0.000 0.551 577 N N 1.189 119.821 118.700 -0.113 0.000 2.531 577 N HA 0.009 4.749 4.740 -0.000 0.000 0.268 577 N C 0.721 176.165 175.510 -0.109 0.000 1.023 577 N CA -0.169 52.823 53.050 -0.097 0.000 0.896 577 N CB 2.223 40.665 38.487 -0.075 0.000 1.233 577 N HN 0.174 nan 8.380 nan 0.000 0.512 578 E N 3.416 123.553 120.200 -0.105 0.000 2.253 578 E HA -0.193 4.157 4.350 -0.000 0.000 0.202 578 E C -0.953 175.589 176.600 -0.096 0.000 1.014 578 E CA 1.299 57.639 56.400 -0.101 0.000 0.823 578 E CB -0.374 29.277 29.700 -0.082 0.000 0.736 578 E HN 0.423 nan 8.360 nan 0.000 0.478 579 P HA -0.251 nan 4.420 nan 0.000 0.224 579 P C -0.643 176.600 177.300 -0.094 0.000 1.156 579 P CA 1.676 64.730 63.100 -0.077 0.000 0.839 579 P CB -0.397 31.263 31.700 -0.068 0.000 0.758 580 K N -0.643 119.686 120.400 -0.119 0.000 4.581 580 K HA -0.220 4.100 4.320 -0.000 0.000 0.265 580 K C 1.321 177.835 176.600 -0.144 0.000 0.691 580 K CA -0.134 56.062 56.287 -0.152 0.000 0.578 580 K CB -1.245 31.171 32.500 -0.141 0.000 2.166 580 K HN 0.264 nan 8.250 nan 0.000 0.385 581 L N -0.989 120.153 121.223 -0.136 0.000 2.201 581 L HA -0.264 4.076 4.340 -0.000 0.000 0.233 581 L C -1.023 175.789 176.870 -0.096 0.000 1.115 581 L CA 1.756 56.534 54.840 -0.103 0.000 0.840 581 L CB -1.604 40.398 42.059 -0.096 0.000 0.924 581 L HN 0.427 nan 8.230 nan 0.000 0.450 582 P HA 0.171 nan 4.420 nan 0.000 0.282 582 P C -0.617 176.630 177.300 -0.088 0.000 1.249 582 P CA -0.315 62.724 63.100 -0.102 0.000 0.806 582 P CB 0.941 32.561 31.700 -0.133 0.000 0.984 583 K N 1.615 121.983 120.400 -0.053 0.000 2.202 583 K HA 0.087 4.407 4.320 -0.000 0.000 0.264 583 K C -0.469 176.109 176.600 -0.037 0.000 1.010 583 K CA -0.325 55.937 56.287 -0.042 0.000 0.940 583 K CB -0.019 32.465 32.500 -0.027 0.000 0.983 583 K HN 0.368 nan 8.250 nan 0.000 0.475 584 D N 3.201 123.582 120.400 -0.032 0.000 4.781 584 D HA -0.138 4.502 4.640 -0.000 0.000 0.254 584 D C -0.186 176.114 176.300 -0.000 0.000 1.387 584 D CA 1.114 55.103 54.000 -0.018 0.000 1.520 584 D CB -0.093 40.700 40.800 -0.012 0.000 1.329 584 D HN 0.383 nan 8.370 nan 0.000 0.716 585 K N 0.729 121.131 120.400 0.004 0.000 2.533 585 K HA 0.052 4.372 4.320 -0.000 0.000 0.202 585 K C -0.186 176.466 176.600 0.087 0.000 1.096 585 K CA -0.436 55.871 56.287 0.035 0.000 1.056 585 K CB 0.685 33.200 32.500 0.025 0.000 0.890 585 K HN 0.201 nan 8.250 nan 0.000 0.552 586 R N 1.561 122.096 120.500 0.058 0.000 2.267 586 R HA 0.241 4.581 4.340 -0.000 0.000 0.319 586 R C -0.447 176.003 176.300 0.251 0.000 1.067 586 R CA -0.392 55.793 56.100 0.141 0.000 0.936 586 R CB 0.154 30.428 30.300 -0.044 0.000 1.006 586 R HN -0.180 nan 8.270 nan 0.000 0.452 587 L N 1.822 123.289 121.223 0.407 0.000 2.416 587 L HA 0.461 4.801 4.340 -0.000 0.000 0.263 587 L C 0.442 177.427 176.870 0.191 0.000 1.065 587 L CA -0.761 54.187 54.840 0.181 0.000 0.798 587 L CB 0.334 42.424 42.059 0.052 0.000 1.267 587 L HN 0.445 nan 8.230 nan 0.000 0.467 588 K N 1.489 121.995 120.400 0.176 0.000 2.334 588 K HA 0.600 4.920 4.320 -0.000 0.000 0.265 588 K C -1.130 175.617 176.600 0.245 0.000 1.039 588 K CA -0.069 56.389 56.287 0.284 0.000 0.920 588 K CB 0.742 33.418 32.500 0.293 0.000 1.160 588 K HN 0.403 nan 8.250 nan 0.000 0.451 589 I N 1.779 122.459 120.570 0.183 0.000 2.525 589 I HA 0.515 4.685 4.170 -0.000 0.000 0.301 589 I C -0.057 176.036 176.117 -0.039 0.000 0.992 589 I CA -1.072 60.250 61.300 0.038 0.000 1.162 589 I CB 1.920 39.902 38.000 -0.031 0.000 1.332 589 I HN 0.499 nan 8.210 nan 0.000 0.458 590 A N 6.145 128.777 122.820 -0.314 0.000 2.340 590 A HA 0.808 5.128 4.320 -0.000 0.000 0.331 590 A C -0.950 176.492 177.584 -0.237 0.000 1.140 590 A CA -0.515 51.228 52.037 -0.490 0.000 0.801 590 A CB 1.643 19.810 19.000 -1.388 0.000 1.234 590 A HN 0.570 nan 8.150 nan 0.000 0.469 591 I N 1.703 122.178 120.570 -0.158 0.000 2.608 591 I HA 0.749 4.919 4.170 -0.000 0.000 0.295 591 I C -1.130 174.912 176.117 -0.125 0.000 1.049 591 I CA -0.705 60.539 61.300 -0.092 0.000 1.063 591 I CB 1.752 39.728 38.000 -0.040 0.000 1.248 591 I HN 0.563 nan 8.210 nan 0.000 0.424 592 V N 7.020 126.846 119.914 -0.146 0.000 3.178 592 V HA 0.570 4.690 4.120 -0.000 0.000 0.302 592 V C -1.492 174.454 176.094 -0.247 0.000 1.262 592 V CA -0.692 61.462 62.300 -0.244 0.000 1.030 592 V CB 2.738 34.322 31.823 -0.398 0.000 1.074 592 V HN 0.823 nan 8.190 nan 0.000 0.438 593 N N 2.349 120.878 118.700 -0.285 0.000 2.321 593 N HA 0.777 5.517 4.740 -0.000 0.000 0.299 593 N C -1.307 174.040 175.510 -0.271 0.000 1.048 593 N CA -0.256 52.655 53.050 -0.231 0.000 0.836 593 N CB 2.055 40.423 38.487 -0.198 0.000 1.269 593 N HN 0.477 nan 8.380 nan 0.000 0.486 594 V N 0.278 120.074 119.914 -0.196 0.000 2.733 594 V HA 0.903 5.023 4.120 -0.000 0.000 0.306 594 V C 0.512 176.569 176.094 -0.061 0.000 1.084 594 V CA -0.414 61.788 62.300 -0.163 0.000 0.905 594 V CB 1.171 32.898 31.823 -0.160 0.000 1.010 594 V HN 0.964 nan 8.190 nan 0.000 0.424 595 G N 3.245 112.025 108.800 -0.032 0.000 2.447 595 G HA2 0.424 4.383 3.960 -0.000 0.000 0.220 595 G HA3 0.424 4.383 3.960 -0.000 0.000 0.220 595 G C -0.115 174.779 174.900 -0.009 0.000 1.261 595 G CA 0.077 45.181 45.100 0.007 0.000 1.000 595 G HN 1.691 nan 8.290 nan 0.000 0.515 596 A N 1.230 124.052 122.820 0.003 0.000 2.346 596 A HA 0.755 5.075 4.320 -0.000 0.000 0.252 596 A C -1.144 176.425 177.584 -0.026 0.000 1.089 596 A CA 0.040 52.076 52.037 -0.002 0.000 0.797 596 A CB -0.156 18.853 19.000 0.015 0.000 1.047 596 A HN 0.854 nan 8.150 nan 0.000 0.494 597 P HA 0.524 nan 4.420 nan 0.000 0.276 597 P C -0.728 176.545 177.300 -0.045 0.000 1.252 597 P CA 0.018 63.086 63.100 -0.053 0.000 0.802 597 P CB 1.351 33.016 31.700 -0.058 0.000 1.035 598 A N 0.307 123.092 122.820 -0.058 0.000 2.589 598 A HA 0.613 4.933 4.320 -0.000 0.000 0.296 598 A C -0.074 177.476 177.584 -0.057 0.000 1.062 598 A CA -0.426 51.578 52.037 -0.056 0.000 0.686 598 A CB 0.870 19.830 19.000 -0.066 0.000 1.282 598 A HN 0.566 nan 8.150 nan 0.000 0.404 599 G N -0.206 108.566 108.800 -0.047 0.000 2.272 599 G HA2 0.513 4.473 3.960 -0.000 0.000 0.247 599 G HA3 0.513 4.473 3.960 -0.000 0.000 0.247 599 G C 1.225 176.107 174.900 -0.030 0.000 1.272 599 G CA 0.941 46.017 45.100 -0.040 0.000 0.921 599 G HN 2.490 nan 8.290 nan 0.000 0.495 600 G N 1.885 110.666 108.800 -0.031 0.000 2.238 600 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 600 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 600 G C 1.400 176.293 174.900 -0.011 0.000 0.996 600 G CA 0.330 45.424 45.100 -0.009 0.000 0.632 600 G HN 0.630 nan 8.290 nan 0.000 0.503 601 I N 1.163 121.710 120.570 -0.038 0.000 2.208 601 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 601 I C 2.586 178.681 176.117 -0.036 0.000 1.097 601 I CA 1.689 62.962 61.300 -0.046 0.000 1.363 601 I CB -0.320 37.633 38.000 -0.078 0.000 1.051 601 I HN 0.194 nan 8.210 nan 0.000 0.413 602 N N 0.615 119.278 118.700 -0.063 0.000 2.166 602 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 602 N C 1.997 177.568 175.510 0.102 0.000 1.019 602 N CA 1.449 54.471 53.050 -0.046 0.000 0.856 602 N CB -0.351 38.041 38.487 -0.157 0.000 0.993 602 N HN 0.252 nan 8.380 nan 0.000 0.426 603 S N 1.209 116.952 115.700 0.072 0.000 2.353 603 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 603 S C 2.173 176.880 174.600 0.178 0.000 1.035 603 S CA 1.218 59.496 58.200 0.131 0.000 1.025 603 S CB -0.544 62.696 63.200 0.066 0.000 0.902 603 S HN 0.503 nan 8.310 nan 0.000 0.440 604 A N 1.641 124.523 122.820 0.104 0.000 1.869 604 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 604 A C 2.403 180.057 177.584 0.117 0.000 1.203 604 A CA 2.086 54.176 52.037 0.088 0.000 0.638 604 A CB -1.326 17.698 19.000 0.040 0.000 0.831 604 A HN 0.321 nan 8.150 nan 0.000 0.450 605 V N -1.412 118.577 119.914 0.124 0.000 2.219 605 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 605 V C 2.327 178.555 176.094 0.223 0.000 1.053 605 V CA 2.485 64.880 62.300 0.158 0.000 1.009 605 V CB -1.104 30.832 31.823 0.187 0.000 0.636 605 V HN 0.714 nan 8.190 nan 0.000 0.445 606 Y N 1.165 121.586 120.300 0.202 0.000 2.062 606 Y HA -0.343 4.207 4.550 -0.000 0.000 0.276 606 Y C 2.764 178.729 175.900 0.108 0.000 1.189 606 Y CA 2.312 60.502 58.100 0.151 0.000 1.130 606 Y CB -0.517 38.043 38.460 0.167 0.000 0.959 606 Y HN 0.232 nan 8.280 nan 0.000 0.499 607 S N 0.433 116.254 115.700 0.202 0.000 2.356 607 S HA -0.239 4.231 4.470 -0.000 0.000 0.223 607 S C 2.067 176.705 174.600 0.063 0.000 1.032 607 S CA 1.397 59.657 58.200 0.100 0.000 1.005 607 S CB -0.537 62.756 63.200 0.155 0.000 0.867 607 S HN 0.596 nan 8.310 nan 0.000 0.449 608 M N 2.283 121.934 119.600 0.086 0.000 2.065 608 M HA -0.135 4.345 4.480 -0.000 0.000 0.259 608 M C 2.139 178.493 176.300 0.090 0.000 1.069 608 M CA 2.184 57.549 55.300 0.109 0.000 1.110 608 M CB -1.320 31.330 32.600 0.083 0.000 1.328 608 M HN 0.287 nan 8.290 nan 0.000 0.405 609 A N 0.528 123.356 122.820 0.014 0.000 1.841 609 A HA -0.214 4.105 4.320 -0.000 0.000 0.216 609 A C 2.230 179.778 177.584 -0.060 0.000 1.199 609 A CA 3.549 55.563 52.037 -0.037 0.000 0.621 609 A CB -1.716 17.231 19.000 -0.088 0.000 0.835 609 A HN 0.727 nan 8.150 nan 0.000 0.445 610 T N -3.595 110.858 114.554 -0.169 0.000 2.803 610 T HA -0.271 4.079 4.350 -0.000 0.000 0.269 610 T C 1.810 176.515 174.700 0.008 0.000 1.052 610 T CA 1.845 63.877 62.100 -0.112 0.000 1.136 610 T CB -0.578 68.138 68.868 -0.254 0.000 0.864 610 T HN 0.451 nan 8.240 nan 0.000 0.467 611 Y N 1.201 121.470 120.300 -0.053 0.000 2.200 611 Y HA -0.040 4.510 4.550 -0.000 0.000 0.290 611 Y C 2.730 178.654 175.900 0.040 0.000 1.137 611 Y CA 0.231 58.334 58.100 0.004 0.000 1.163 611 Y CB -0.980 37.501 38.460 0.035 0.000 0.988 611 Y HN 0.348 nan 8.280 nan 0.000 0.518 612 C N 0.456 119.756 119.300 0.000 0.000 2.398 612 C HA -0.284 4.176 4.460 -0.000 0.000 0.276 612 C C 2.814 177.738 174.990 -0.111 0.000 1.222 612 C CA 1.720 60.749 59.018 0.017 0.000 1.746 612 C CB -1.350 26.447 27.740 0.096 0.000 2.039 612 C HN 0.610 nan 8.230 nan 0.000 0.470 613 M N 1.489 121.029 119.600 -0.101 0.000 2.202 613 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 613 M C 2.284 178.475 176.300 -0.181 0.000 1.063 613 M CA 2.167 57.389 55.300 -0.130 0.000 1.097 613 M CB -0.586 31.950 32.600 -0.107 0.000 1.382 613 M HN 0.636 nan 8.290 nan 0.000 0.413 614 S N -0.636 114.936 115.700 -0.213 0.000 2.461 614 S HA -0.050 4.420 4.470 -0.000 0.000 0.228 614 S C 1.777 176.201 174.600 -0.294 0.000 1.005 614 S CA 0.478 58.547 58.200 -0.219 0.000 0.942 614 S CB -0.141 62.953 63.200 -0.177 0.000 0.776 614 S HN 0.457 nan 8.310 nan 0.000 0.514 615 Q N 0.568 120.119 119.800 -0.416 0.000 2.297 615 Q HA 0.271 4.611 4.340 -0.000 0.000 0.203 615 Q C 1.710 177.424 176.000 -0.476 0.000 0.931 615 Q CA 1.037 56.535 55.803 -0.508 0.000 0.885 615 Q CB 0.065 28.331 28.738 -0.786 0.000 0.991 615 Q HN 0.774 nan 8.270 nan 0.000 0.498 616 G N 0.446 109.023 108.800 -0.371 0.000 2.211 616 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.201 616 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.201 616 G C 0.061 174.865 174.900 -0.160 0.000 0.997 616 G CA -0.319 44.636 45.100 -0.243 0.000 0.652 616 G HN 0.297 nan 8.290 nan 0.000 0.500 617 H N 0.812 119.841 119.070 -0.068 0.000 2.852 617 H HA 0.388 4.944 4.556 -0.000 0.000 0.362 617 H C 0.833 176.153 175.328 -0.014 0.000 1.122 617 H CA 0.280 56.316 56.048 -0.020 0.000 1.419 617 H CB 0.422 30.173 29.762 -0.018 0.000 1.401 617 H HN 0.337 nan 8.280 nan 0.000 0.609 618 R N 3.236 123.844 120.500 0.180 0.000 2.246 618 R HA 0.250 4.590 4.340 -0.000 0.000 0.332 618 R C -2.442 173.896 176.300 0.064 0.000 0.974 618 R CA -1.752 54.398 56.100 0.082 0.000 0.837 618 R CB 1.222 31.631 30.300 0.182 0.000 1.145 618 R HN 0.438 nan 8.270 nan 0.000 0.467 619 P HA 0.129 nan 4.420 nan 0.000 0.293 619 P C -1.381 175.767 177.300 -0.253 0.000 1.300 619 P CA -0.320 62.739 63.100 -0.068 0.000 0.792 619 P CB 0.804 32.474 31.700 -0.050 0.000 0.925 620 Y N 1.417 121.732 120.300 0.025 0.000 2.376 620 Y HA 0.565 5.115 4.550 -0.000 0.000 0.340 620 Y C 0.431 176.304 175.900 -0.046 0.000 0.965 620 Y CA -0.826 57.298 58.100 0.040 0.000 1.078 620 Y CB 2.159 40.712 38.460 0.154 0.000 1.193 620 Y HN 0.422 nan 8.280 nan 0.000 0.452 621 A N 4.332 127.249 122.820 0.162 0.000 2.318 621 A HA 0.703 5.023 4.320 -0.000 0.000 0.324 621 A C -0.774 176.905 177.584 0.159 0.000 1.170 621 A CA -0.694 51.404 52.037 0.102 0.000 0.810 621 A CB 0.250 19.322 19.000 0.120 0.000 1.198 621 A HN 0.793 nan 8.150 nan 0.000 0.484 622 I N 3.504 124.093 120.570 0.032 0.000 2.281 622 I HA 0.144 4.314 4.170 -0.000 0.000 0.293 622 I C -0.750 175.406 176.117 0.066 0.000 1.085 622 I CA -0.287 61.054 61.300 0.070 0.000 1.257 622 I CB -0.014 37.991 38.000 0.008 0.000 1.430 622 I HN 0.571 nan 8.210 nan 0.000 0.489 623 Y N 5.654 125.940 120.300 -0.023 0.000 2.480 623 Y HA 0.011 4.561 4.550 -0.000 0.000 0.338 623 Y C 1.331 177.208 175.900 -0.038 0.000 1.220 623 Y CA 0.003 58.087 58.100 -0.026 0.000 1.430 623 Y CB 0.239 38.703 38.460 0.007 0.000 1.311 623 Y HN 0.566 nan 8.280 nan 0.000 0.575 624 N N 1.138 119.871 118.700 0.054 0.000 2.727 624 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 624 N C 0.601 176.075 175.510 -0.059 0.000 1.048 624 N CA 1.089 54.144 53.050 0.007 0.000 0.714 624 N CB -1.217 37.324 38.487 0.089 0.000 0.959 624 N HN 1.137 nan 8.380 nan 0.000 0.544 625 G N -0.310 108.375 108.800 -0.193 0.000 2.581 625 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.289 625 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.289 625 G C 1.101 175.883 174.900 -0.196 0.000 1.303 625 G CA 0.578 45.431 45.100 -0.412 0.000 0.931 625 G HN 0.402 nan 8.290 nan 0.000 0.555 626 W N 0.462 121.778 121.300 0.027 0.000 2.321 626 W HA -0.053 4.607 4.660 -0.000 0.000 0.306 626 W C 3.203 179.739 176.519 0.029 0.000 1.217 626 W CA 1.918 59.278 57.345 0.025 0.000 1.257 626 W CB -0.618 28.837 29.460 -0.008 0.000 1.145 626 W HN 0.794 nan 8.180 nan 0.000 0.509 627 S N 0.311 116.147 115.700 0.227 0.000 2.402 627 S HA -0.058 4.412 4.470 -0.000 0.000 0.229 627 S C 1.933 176.573 174.600 0.068 0.000 1.021 627 S CA 1.297 59.569 58.200 0.120 0.000 0.974 627 S CB -1.017 62.230 63.200 0.078 0.000 0.800 627 S HN 0.254 nan 8.310 nan 0.000 0.484 628 G N 0.799 109.655 108.800 0.092 0.000 2.511 628 G HA2 0.124 4.084 3.960 -0.000 0.000 0.217 628 G HA3 0.124 4.084 3.960 -0.000 0.000 0.217 628 G C 1.268 176.237 174.900 0.116 0.000 1.133 628 G CA 0.644 45.810 45.100 0.111 0.000 0.792 628 G HN 0.463 nan 8.290 nan 0.000 0.539 629 L N 1.134 122.448 121.223 0.151 0.000 2.034 629 L HA 0.390 4.730 4.340 -0.000 0.000 0.203 629 L C 3.012 179.980 176.870 0.163 0.000 1.074 629 L CA 2.046 56.978 54.840 0.153 0.000 0.748 629 L CB -0.814 41.444 42.059 0.330 0.000 0.905 629 L HN 0.152 nan 8.230 nan 0.000 0.439 630 A N -0.177 122.795 122.820 0.253 0.000 1.865 630 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 630 A C 2.399 180.099 177.584 0.194 0.000 1.191 630 A CA 1.950 54.161 52.037 0.289 0.000 0.623 630 A CB -0.617 18.498 19.000 0.192 0.000 0.826 630 A HN 0.510 nan 8.150 nan 0.000 0.444 631 R N -1.910 118.594 120.500 0.006 0.000 2.236 631 R HA 0.014 4.353 4.340 -0.000 0.000 0.208 631 R C 0.249 176.359 176.300 -0.316 0.000 1.036 631 R CA 0.994 56.967 56.100 -0.211 0.000 1.001 631 R CB 0.033 30.072 30.300 -0.436 0.000 0.896 631 R HN 0.646 nan 8.270 nan 0.000 0.464 632 H N -0.850 118.282 119.070 0.103 0.000 3.394 632 H HA 0.063 4.619 4.556 -0.000 0.000 0.256 632 H C -0.589 174.734 175.328 -0.008 0.000 1.180 632 H CA -0.400 55.686 56.048 0.062 0.000 1.064 632 H CB 0.111 29.899 29.762 0.043 0.000 1.854 632 H HN 0.192 nan 8.280 nan 0.000 0.731 633 E N 2.341 122.514 120.200 -0.044 0.000 2.202 633 E HA -0.197 4.153 4.350 -0.000 0.000 0.169 633 E C -0.253 176.240 176.600 -0.179 0.000 1.536 633 E CA 0.587 56.702 56.400 -0.475 0.000 0.664 633 E CB -0.665 28.805 29.700 -0.384 0.000 1.064 633 E HN 0.424 nan 8.360 nan 0.000 0.327 634 S N 0.450 116.101 115.700 -0.081 0.000 2.768 634 S HA 0.234 4.704 4.470 -0.000 0.000 0.246 634 S C 0.489 175.093 174.600 0.007 0.000 1.006 634 S CA -0.349 57.853 58.200 0.002 0.000 1.075 634 S CB 0.582 63.848 63.200 0.111 0.000 0.786 634 S HN 0.231 nan 8.310 nan 0.000 0.468 635 V N 1.922 121.770 119.914 -0.109 0.000 2.614 635 V HA 0.572 4.692 4.120 -0.000 0.000 0.291 635 V C 0.334 176.449 176.094 0.035 0.000 1.049 635 V CA -0.228 62.018 62.300 -0.090 0.000 1.038 635 V CB 0.894 32.379 31.823 -0.564 0.000 0.980 635 V HN 0.439 nan 8.190 nan 0.000 0.481 636 R N 1.937 122.546 120.500 0.182 0.000 2.707 636 R HA 0.519 4.859 4.340 -0.000 0.000 0.272 636 R C -0.919 175.503 176.300 0.203 0.000 1.011 636 R CA -0.469 55.732 56.100 0.169 0.000 0.893 636 R CB 2.176 32.512 30.300 0.060 0.000 1.233 636 R HN 0.688 nan 8.270 nan 0.000 0.464 637 S N 2.589 118.348 115.700 0.099 0.000 2.465 637 S HA 0.383 4.853 4.470 -0.000 0.000 0.279 637 S C -0.105 174.463 174.600 -0.054 0.000 1.201 637 S CA -0.635 57.503 58.200 -0.102 0.000 1.053 637 S CB 0.301 63.430 63.200 -0.119 0.000 0.953 637 S HN 0.344 nan 8.310 nan 0.000 0.488 638 L N 4.651 125.818 121.223 -0.092 0.000 2.515 638 L HA 0.162 4.501 4.340 -0.000 0.000 0.281 638 L C 0.272 177.078 176.870 -0.107 0.000 1.131 638 L CA -0.322 54.474 54.840 -0.072 0.000 0.905 638 L CB -0.287 41.731 42.059 -0.068 0.000 1.246 638 L HN 0.524 nan 8.230 nan 0.000 0.463 639 N N 2.181 120.828 118.700 -0.088 0.000 2.499 639 N HA -0.032 4.708 4.740 -0.000 0.000 0.281 639 N C 0.591 176.084 175.510 -0.028 0.000 1.098 639 N CA -0.414 52.612 53.050 -0.040 0.000 0.979 639 N CB 1.410 39.891 38.487 -0.009 0.000 1.121 639 N HN 0.607 nan 8.380 nan 0.000 0.466 640 W N 4.201 125.406 121.300 -0.159 0.000 2.302 640 W HA -0.274 4.386 4.660 -0.000 0.000 0.320 640 W C 2.172 178.634 176.519 -0.096 0.000 1.241 640 W CA 1.811 59.080 57.345 -0.127 0.000 1.264 640 W CB 0.068 29.488 29.460 -0.066 0.000 1.154 640 W HN 0.612 nan 8.180 nan 0.000 0.483 641 K N -0.068 120.457 120.400 0.208 0.000 2.113 641 K HA -0.242 4.078 4.320 -0.000 0.000 0.208 641 K C 1.530 178.016 176.600 -0.189 0.000 1.047 641 K CA 2.090 58.373 56.287 -0.007 0.000 0.928 641 K CB -0.548 32.050 32.500 0.164 0.000 0.716 641 K HN 0.071 nan 8.250 nan 0.000 0.446 642 D N 0.234 120.528 120.400 -0.178 0.000 2.310 642 D HA -0.116 4.524 4.640 -0.000 0.000 0.212 642 D C 1.350 177.337 176.300 -0.522 0.000 0.965 642 D CA 1.070 54.947 54.000 -0.204 0.000 0.879 642 D CB 0.087 40.816 40.800 -0.120 0.000 0.921 642 D HN 0.393 nan 8.370 nan 0.000 0.510 643 M N -0.052 119.028 119.600 -0.868 0.000 2.383 643 M HA 0.142 4.621 4.480 -0.000 0.000 0.247 643 M C 0.069 175.851 176.300 -0.863 0.000 1.117 643 M CA -0.243 54.074 55.300 -1.638 0.000 0.995 643 M CB 0.574 32.412 32.600 -1.271 0.000 1.480 643 M HN -0.180 nan 8.290 nan 0.000 0.485 644 L N 1.208 122.103 121.223 -0.547 0.000 2.578 644 L HA -0.010 4.330 4.340 -0.000 0.000 0.279 644 L C 1.442 178.219 176.870 -0.155 0.000 1.227 644 L CA 1.110 55.712 54.840 -0.395 0.000 0.900 644 L CB -0.132 41.722 42.059 -0.341 0.000 1.144 644 L HN 0.648 nan 8.230 nan 0.000 0.496 645 G N 1.365 110.048 108.800 -0.196 0.000 2.320 645 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.242 645 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.242 645 G C 0.621 175.515 174.900 -0.011 0.000 1.033 645 G CA 0.369 45.418 45.100 -0.084 0.000 0.620 645 G HN 0.677 nan 8.290 nan 0.000 0.517 646 W N 1.126 122.251 121.300 -0.291 0.000 2.313 646 W HA -0.029 4.631 4.660 -0.000 0.000 0.293 646 W C 2.587 178.925 176.519 -0.301 0.000 1.216 646 W CA 1.683 58.898 57.345 -0.217 0.000 1.223 646 W CB -0.958 28.468 29.460 -0.057 0.000 1.138 646 W HN 0.571 nan 8.180 nan 0.000 0.535 647 Q N 1.022 120.579 119.800 -0.405 0.000 2.197 647 Q HA -0.184 4.156 4.340 -0.000 0.000 0.207 647 Q C 1.362 177.270 176.000 -0.154 0.000 0.984 647 Q CA 2.306 57.895 55.803 -0.356 0.000 0.869 647 Q CB -0.458 27.945 28.738 -0.560 0.000 0.906 647 Q HN 0.161 nan 8.270 nan 0.000 0.426 648 S N -0.913 114.696 115.700 -0.150 0.000 2.499 648 S HA 0.497 4.967 4.470 -0.000 0.000 0.238 648 S C -0.365 174.174 174.600 -0.102 0.000 1.205 648 S CA -0.875 57.257 58.200 -0.113 0.000 1.203 648 S CB 0.424 63.551 63.200 -0.122 0.000 0.954 648 S HN 0.178 nan 8.310 nan 0.000 0.484 649 R N 0.206 120.645 120.500 -0.102 0.000 2.711 649 R HA 0.697 5.037 4.340 -0.000 0.000 0.284 649 R C 0.731 176.959 176.300 -0.121 0.000 0.968 649 R CA -0.622 55.407 56.100 -0.118 0.000 0.924 649 R CB 1.709 31.915 30.300 -0.157 0.000 1.162 649 R HN 0.429 nan 8.270 nan 0.000 0.465 650 G N 0.095 108.829 108.800 -0.110 0.000 2.494 650 G HA2 0.481 4.441 3.960 -0.000 0.000 0.270 650 G HA3 0.481 4.441 3.960 -0.000 0.000 0.270 650 G C 0.148 174.973 174.900 -0.126 0.000 1.423 650 G CA 0.021 45.061 45.100 -0.099 0.000 1.055 650 G HN 0.781 nan 8.290 nan 0.000 0.536 651 G N -1.262 107.473 108.800 -0.108 0.000 2.641 651 G HA2 0.101 4.061 3.960 -0.000 0.000 0.254 651 G HA3 0.101 4.061 3.960 -0.000 0.000 0.254 651 G C 0.304 175.106 174.900 -0.164 0.000 1.315 651 G CA 0.611 45.637 45.100 -0.124 0.000 0.907 651 G HN 1.867 nan 8.290 nan 0.000 0.572 652 S N -0.608 114.978 115.700 -0.191 0.000 2.745 652 S HA 0.510 4.980 4.470 -0.000 0.000 0.283 652 S C 0.956 175.359 174.600 -0.328 0.000 1.170 652 S CA 0.338 58.392 58.200 -0.243 0.000 1.119 652 S CB 1.184 64.270 63.200 -0.189 0.000 1.035 652 S HN 0.537 nan 8.310 nan 0.000 0.483 653 E N 3.160 123.050 120.200 -0.517 0.000 2.085 653 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 653 E C 1.652 177.929 176.600 -0.538 0.000 0.994 653 E CA 1.780 57.763 56.400 -0.695 0.000 0.801 653 E CB -0.170 28.578 29.700 -1.587 0.000 0.743 653 E HN 0.942 nan 8.360 nan 0.000 0.453 654 I N -2.617 117.578 120.570 -0.626 0.000 3.793 654 I HA 0.300 4.470 4.170 -0.000 0.000 0.315 654 I C 0.721 176.560 176.117 -0.462 0.000 1.275 654 I CA 0.410 61.178 61.300 -0.886 0.000 1.214 654 I CB -0.182 37.235 38.000 -0.972 0.000 1.018 654 I HN -0.025 nan 8.210 nan 0.000 0.439 655 G N 1.426 110.064 108.800 -0.270 0.000 2.764 655 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.686 655 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.686 655 G C -0.407 174.401 174.900 -0.152 0.000 1.258 655 G CA -0.070 44.943 45.100 -0.145 0.000 0.846 655 G HN 0.634 nan 8.290 nan 0.000 0.596 656 T N 0.603 115.089 114.554 -0.114 0.000 2.923 656 T HA 0.780 5.130 4.350 -0.000 0.000 0.311 656 T C -0.170 174.488 174.700 -0.071 0.000 1.183 656 T CA 0.372 62.404 62.100 -0.115 0.000 1.020 656 T CB 1.532 70.329 68.868 -0.119 0.000 1.165 656 T HN 1.997 nan 8.240 nan 0.000 0.482 657 N N 1.486 120.147 118.700 -0.066 0.000 3.204 657 N HA 0.493 5.233 4.740 -0.000 0.000 0.285 657 N C -0.307 175.199 175.510 -0.007 0.000 1.536 657 N CA -1.089 51.948 53.050 -0.023 0.000 0.832 657 N CB 0.983 39.469 38.487 -0.002 0.000 1.645 657 N HN 0.469 nan 8.380 nan 0.000 0.586 658 R N -0.368 120.150 120.500 0.030 0.000 2.427 658 R HA 0.319 4.659 4.340 -0.000 0.000 0.262 658 R C -0.440 175.918 176.300 0.096 0.000 0.943 658 R CA -0.308 55.828 56.100 0.061 0.000 1.081 658 R CB 0.126 30.466 30.300 0.067 0.000 1.166 658 R HN 0.325 nan 8.270 nan 0.000 0.534 659 V N 2.498 122.473 119.914 0.102 0.000 2.521 659 V HA 0.005 4.125 4.120 -0.000 0.000 0.286 659 V C 1.041 177.300 176.094 0.274 0.000 1.034 659 V CA -0.125 62.265 62.300 0.150 0.000 1.045 659 V CB 0.773 32.681 31.823 0.143 0.000 0.974 659 V HN 0.307 nan 8.190 nan 0.000 0.480 660 T N 3.354 118.039 114.554 0.219 0.000 2.874 660 T HA 0.317 4.667 4.350 -0.000 0.000 0.281 660 T C -1.734 172.999 174.700 0.054 0.000 0.994 660 T CA -1.820 60.410 62.100 0.217 0.000 1.015 660 T CB 1.483 70.406 68.868 0.093 0.000 1.028 660 T HN 0.384 nan 8.240 nan 0.000 0.523 661 P HA -0.128 nan 4.420 nan 0.000 0.215 661 P C 1.450 178.558 177.300 -0.320 0.000 1.157 661 P CA 1.293 63.979 63.100 -0.690 0.000 0.874 661 P CB 0.036 31.108 31.700 -1.046 0.000 0.790 662 E N -0.377 119.687 120.200 -0.227 0.000 2.160 662 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 662 E C 1.843 178.404 176.600 -0.064 0.000 0.991 662 E CA 1.057 57.376 56.400 -0.135 0.000 0.810 662 E CB -0.389 29.256 29.700 -0.092 0.000 0.742 662 E HN 0.478 nan 8.360 nan 0.000 0.466 663 E N 0.039 120.224 120.200 -0.026 0.000 2.274 663 E HA -0.070 4.280 4.350 -0.000 0.000 0.194 663 E C 1.516 178.129 176.600 0.022 0.000 0.996 663 E CA 0.697 57.105 56.400 0.014 0.000 0.840 663 E CB 0.140 29.867 29.700 0.046 0.000 0.772 663 E HN 0.169 nan 8.360 nan 0.000 0.491 664 A N 1.305 124.135 122.820 0.017 0.000 2.348 664 A HA 0.067 4.387 4.320 -0.000 0.000 0.224 664 A C -0.156 177.440 177.584 0.020 0.000 1.227 664 A CA 0.242 52.307 52.037 0.047 0.000 0.885 664 A CB 0.298 19.373 19.000 0.126 0.000 0.933 664 A HN 0.189 nan 8.150 nan 0.000 0.506 665 D N -1.913 118.472 120.400 -0.025 0.000 4.013 665 D HA -0.129 4.511 4.640 -0.000 0.000 0.225 665 D C 0.096 176.349 176.300 -0.078 0.000 1.196 665 D CA 0.205 54.187 54.000 -0.030 0.000 0.889 665 D CB -1.406 39.400 40.800 0.011 0.000 0.572 665 D HN 0.048 nan 8.370 nan 0.000 0.258 666 L N 4.248 125.374 121.223 -0.163 0.000 2.021 666 L HA 0.030 4.370 4.340 -0.000 0.000 0.215 666 L C 2.639 179.348 176.870 -0.268 0.000 1.074 666 L CA 2.959 57.616 54.840 -0.305 0.000 0.760 666 L CB -0.981 40.802 42.059 -0.460 0.000 0.889 666 L HN 0.722 nan 8.230 nan 0.000 0.433 667 G N -1.214 107.519 108.800 -0.111 0.000 2.628 667 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.217 667 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.217 667 G C 1.534 176.489 174.900 0.091 0.000 1.240 667 G CA 1.183 46.354 45.100 0.118 0.000 0.792 667 G HN 0.275 nan 8.290 nan 0.000 0.593 668 M N 0.442 120.084 119.600 0.070 0.000 2.143 668 M HA -0.096 4.384 4.480 -0.000 0.000 0.258 668 M C 2.571 179.029 176.300 0.263 0.000 1.071 668 M CA 1.016 56.388 55.300 0.119 0.000 1.088 668 M CB -0.947 31.743 32.600 0.150 0.000 1.360 668 M HN 0.211 nan 8.290 nan 0.000 0.404 669 I N -0.088 120.585 120.570 0.171 0.000 2.090 669 I HA -0.214 3.956 4.170 -0.000 0.000 0.236 669 I C 2.620 178.826 176.117 0.148 0.000 1.064 669 I CA 1.609 63.008 61.300 0.165 0.000 1.324 669 I CB -1.920 36.013 38.000 -0.111 0.000 1.044 669 I HN 0.186 nan 8.210 nan 0.000 0.399 670 A N 0.424 123.236 122.820 -0.013 0.000 1.927 670 A HA -0.315 4.005 4.320 -0.000 0.000 0.220 670 A C 2.387 180.005 177.584 0.057 0.000 1.185 670 A CA 2.172 54.056 52.037 -0.255 0.000 0.639 670 A CB -1.381 17.390 19.000 -0.382 0.000 0.820 670 A HN 0.543 nan 8.150 nan 0.000 0.451 671 Y N -0.757 119.546 120.300 0.006 0.000 2.014 671 Y HA -0.323 4.227 4.550 -0.000 0.000 0.270 671 Y C 2.237 178.182 175.900 0.075 0.000 1.145 671 Y CA 2.153 60.234 58.100 -0.032 0.000 1.106 671 Y CB -1.061 37.294 38.460 -0.175 0.000 0.968 671 Y HN 0.362 nan 8.280 nan 0.000 0.484 672 Y N -0.769 119.574 120.300 0.073 0.000 2.181 672 Y HA -0.289 4.261 4.550 -0.000 0.000 0.284 672 Y C 2.371 178.395 175.900 0.207 0.000 1.179 672 Y CA 1.711 59.881 58.100 0.118 0.000 1.179 672 Y CB -1.221 37.467 38.460 0.379 0.000 0.973 672 Y HN 0.208 nan 8.280 nan 0.000 0.519 673 F N 0.387 120.469 119.950 0.220 0.000 2.026 673 F HA -0.317 4.210 4.527 -0.000 0.000 0.296 673 F C 2.725 178.437 175.800 -0.145 0.000 1.133 673 F CA 2.070 60.163 58.000 0.155 0.000 1.188 673 F CB -1.250 37.936 39.000 0.310 0.000 0.968 673 F HN 0.097 nan 8.300 nan 0.000 0.476 674 Q N 0.437 120.280 119.800 0.070 0.000 2.077 674 Q HA -0.318 4.022 4.340 -0.000 0.000 0.206 674 Q C 2.375 178.229 176.000 -0.244 0.000 0.989 674 Q CA 2.392 58.136 55.803 -0.098 0.000 0.853 674 Q CB -0.308 28.369 28.738 -0.101 0.000 0.907 674 Q HN 0.424 nan 8.270 nan 0.000 0.418 675 K N -0.629 119.562 120.400 -0.350 0.000 2.020 675 K HA -0.214 4.106 4.320 -0.000 0.000 0.212 675 K C 1.573 177.844 176.600 -0.549 0.000 1.050 675 K CA 1.870 57.873 56.287 -0.472 0.000 0.929 675 K CB -0.276 31.875 32.500 -0.581 0.000 0.714 675 K HN 0.295 nan 8.250 nan 0.000 0.443 676 Y N 1.126 121.081 120.300 -0.576 0.000 2.546 676 Y HA 0.083 4.633 4.550 -0.000 0.000 0.287 676 Y C -0.340 175.052 175.900 -0.847 0.000 1.158 676 Y CA 0.622 58.230 58.100 -0.820 0.000 1.307 676 Y CB 0.086 37.785 38.460 -1.268 0.000 1.036 676 Y HN 0.196 nan 8.280 nan 0.000 0.532 677 E N -0.269 119.608 120.200 -0.539 0.000 2.414 677 E HA -0.226 4.124 4.350 -0.000 0.000 0.173 677 E C -1.341 175.115 176.600 -0.241 0.000 1.551 677 E CA -0.121 56.092 56.400 -0.312 0.000 0.661 677 E CB -1.871 27.709 29.700 -0.201 0.000 1.108 677 E HN 0.142 nan 8.360 nan 0.000 0.365 678 F N 1.240 121.097 119.950 -0.155 0.000 2.411 678 F HA 0.161 4.688 4.527 -0.000 0.000 0.355 678 F C 1.604 177.341 175.800 -0.104 0.000 1.117 678 F CA -1.092 56.786 58.000 -0.204 0.000 1.139 678 F CB 0.744 39.455 39.000 -0.482 0.000 1.120 678 F HN 0.072 nan 8.300 nan 0.000 0.493 679 D N 1.912 122.398 120.400 0.143 0.000 2.234 679 D HA 0.084 4.724 4.640 -0.000 0.000 0.205 679 D C 1.074 177.423 176.300 0.081 0.000 0.962 679 D CA 0.816 54.869 54.000 0.088 0.000 0.855 679 D CB 0.478 41.315 40.800 0.062 0.000 0.951 679 D HN 0.630 nan 8.370 nan 0.000 0.500 680 G N 0.115 108.954 108.800 0.065 0.000 2.718 680 G HA2 0.476 4.436 3.960 -0.000 0.000 0.295 680 G HA3 0.476 4.436 3.960 -0.000 0.000 0.295 680 G C -2.006 172.892 174.900 -0.005 0.000 1.421 680 G CA -0.517 44.616 45.100 0.054 0.000 0.902 680 G HN 0.031 nan 8.290 nan 0.000 0.501 681 L N 0.603 121.862 121.223 0.059 0.000 2.342 681 L HA 0.823 5.163 4.340 -0.000 0.000 0.271 681 L C -0.806 176.111 176.870 0.077 0.000 1.008 681 L CA -1.043 53.823 54.840 0.043 0.000 0.818 681 L CB 1.756 43.945 42.059 0.217 0.000 1.296 681 L HN 0.462 nan 8.230 nan 0.000 0.427 682 I N 5.705 126.296 120.570 0.036 0.000 2.476 682 I HA 0.379 4.549 4.170 -0.000 0.000 0.281 682 I C -0.850 175.281 176.117 0.023 0.000 1.040 682 I CA -0.262 61.065 61.300 0.045 0.000 1.094 682 I CB 1.380 39.400 38.000 0.033 0.000 1.219 682 I HN 0.481 nan 8.210 nan 0.000 0.450 683 I N 7.000 127.594 120.570 0.040 0.000 2.331 683 I HA 0.333 4.503 4.170 -0.000 0.000 0.292 683 I C -0.408 175.704 176.117 -0.009 0.000 0.998 683 I CA -0.735 60.572 61.300 0.012 0.000 1.267 683 I CB 1.608 39.647 38.000 0.065 0.000 1.386 683 I HN 0.136 nan 8.210 nan 0.000 0.476 684 V N 5.913 125.799 119.914 -0.046 0.000 2.378 684 V HA 0.901 5.021 4.120 -0.000 0.000 0.288 684 V C 0.400 176.459 176.094 -0.058 0.000 1.016 684 V CA -0.154 62.120 62.300 -0.044 0.000 0.840 684 V CB 0.985 32.779 31.823 -0.048 0.000 0.994 684 V HN 1.061 nan 8.190 nan 0.000 0.431 685 G N 3.111 111.890 108.800 -0.035 0.000 2.323 685 G HA2 0.546 4.506 3.960 -0.000 0.000 0.291 685 G HA3 0.546 4.506 3.960 -0.000 0.000 0.291 685 G C -0.195 174.705 174.900 -0.001 0.000 1.278 685 G CA 0.073 45.155 45.100 -0.030 0.000 0.860 685 G HN 0.915 nan 8.290 nan 0.000 0.504 686 G N -1.230 107.583 108.800 0.022 0.000 2.714 686 G HA2 0.442 4.402 3.960 -0.000 0.000 0.197 686 G HA3 0.442 4.402 3.960 -0.000 0.000 0.197 686 G C 0.797 175.778 174.900 0.134 0.000 1.449 686 G CA 0.261 45.397 45.100 0.059 0.000 1.065 686 G HN 0.664 nan 8.290 nan 0.000 0.575 687 F N 0.283 120.248 119.950 0.025 0.000 2.269 687 F HA 0.008 4.535 4.527 -0.000 0.000 0.301 687 F C 2.597 178.508 175.800 0.185 0.000 1.082 687 F CA 1.573 59.623 58.000 0.083 0.000 1.360 687 F CB 0.234 39.242 39.000 0.015 0.000 1.041 687 F HN 0.312 nan 8.300 nan 0.000 0.512 688 E N 0.072 120.405 120.200 0.222 0.000 2.107 688 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 688 E C 2.263 178.936 176.600 0.122 0.000 0.982 688 E CA 1.103 57.602 56.400 0.166 0.000 0.809 688 E CB -0.603 29.186 29.700 0.149 0.000 0.756 688 E HN 0.357 nan 8.360 nan 0.000 0.459 689 A N -0.321 122.563 122.820 0.106 0.000 2.066 689 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 689 A C 1.929 179.577 177.584 0.108 0.000 1.157 689 A CA 0.660 52.758 52.037 0.102 0.000 0.670 689 A CB -0.555 18.478 19.000 0.055 0.000 0.804 689 A HN 0.298 nan 8.150 nan 0.000 0.453 690 F N 0.935 120.802 119.950 -0.139 0.000 2.074 690 F HA -0.057 4.470 4.527 -0.000 0.000 0.293 690 F C 2.165 177.870 175.800 -0.158 0.000 1.116 690 F CA 1.968 59.835 58.000 -0.221 0.000 1.212 690 F CB -0.449 38.223 39.000 -0.546 0.000 0.998 690 F HN 0.306 nan 8.300 nan 0.000 0.471 691 E N 0.264 120.381 120.200 -0.139 0.000 2.097 691 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 691 E C 2.165 178.742 176.600 -0.039 0.000 1.000 691 E CA 1.977 58.337 56.400 -0.067 0.000 0.804 691 E CB -0.539 29.184 29.700 0.038 0.000 0.740 691 E HN 0.399 nan 8.360 nan 0.000 0.454 692 S N 0.011 115.724 115.700 0.023 0.000 2.354 692 S HA -0.181 4.289 4.470 -0.000 0.000 0.219 692 S C 1.756 176.290 174.600 -0.110 0.000 1.035 692 S CA 1.138 59.356 58.200 0.030 0.000 1.037 692 S CB -0.727 62.699 63.200 0.376 0.000 0.956 692 S HN 0.366 nan 8.310 nan 0.000 0.428 693 L N 2.495 123.677 121.223 -0.069 0.000 1.991 693 L HA -0.272 4.067 4.340 -0.000 0.000 0.221 693 L C 2.304 179.029 176.870 -0.241 0.000 1.079 693 L CA 2.486 57.247 54.840 -0.132 0.000 0.778 693 L CB -1.144 40.842 42.059 -0.122 0.000 0.893 693 L HN 0.547 nan 8.230 nan 0.000 0.437 694 H N -0.594 118.224 119.070 -0.419 0.000 2.289 694 H HA -0.244 4.312 4.556 -0.000 0.000 0.294 694 H C 2.066 177.119 175.328 -0.459 0.000 1.095 694 H CA 2.580 58.305 56.048 -0.539 0.000 1.256 694 H CB -0.130 29.104 29.762 -0.880 0.000 1.359 694 H HN 0.615 nan 8.280 nan 0.000 0.487 695 Q N 0.267 119.784 119.800 -0.471 0.000 2.020 695 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 695 Q C 2.982 178.664 176.000 -0.530 0.000 0.982 695 Q CA 1.610 57.118 55.803 -0.492 0.000 0.838 695 Q CB -0.006 28.541 28.738 -0.318 0.000 0.899 695 Q HN 0.471 nan 8.270 nan 0.000 0.423 696 L N 0.820 121.689 121.223 -0.590 0.000 2.081 696 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 696 L C 2.664 179.257 176.870 -0.462 0.000 1.080 696 L CA 1.129 55.491 54.840 -0.797 0.000 0.754 696 L CB -0.634 40.896 42.059 -0.882 0.000 0.893 696 L HN 0.354 nan 8.230 nan 0.000 0.433 697 E N 0.798 120.795 120.200 -0.339 0.000 2.072 697 E HA -0.233 4.117 4.350 -0.000 0.000 0.191 697 E C 2.144 178.626 176.600 -0.195 0.000 0.985 697 E CA 0.949 57.229 56.400 -0.200 0.000 0.801 697 E CB -0.087 29.500 29.700 -0.190 0.000 0.750 697 E HN 0.229 nan 8.360 nan 0.000 0.452 698 R N 0.317 120.613 120.500 -0.341 0.000 2.339 698 R HA 0.051 4.390 4.340 -0.000 0.000 0.199 698 R C 0.827 177.029 176.300 -0.163 0.000 1.018 698 R CA 0.811 56.733 56.100 -0.297 0.000 1.036 698 R CB -0.141 29.841 30.300 -0.529 0.000 0.899 698 R HN 0.118 nan 8.270 nan 0.000 0.473 699 A N -0.253 122.500 122.820 -0.113 0.000 2.431 699 A HA 0.190 4.510 4.320 -0.000 0.000 0.239 699 A C 1.662 179.387 177.584 0.236 0.000 1.230 699 A CA -0.363 51.707 52.037 0.055 0.000 0.928 699 A CB 0.051 19.037 19.000 -0.023 0.000 1.006 699 A HN 0.102 nan 8.150 nan 0.000 0.520 700 R N 1.909 122.495 120.500 0.142 0.000 2.171 700 R HA -0.157 4.183 4.340 -0.000 0.000 0.226 700 R C 0.558 176.943 176.300 0.141 0.000 1.113 700 R CA 2.023 58.225 56.100 0.170 0.000 0.887 700 R CB -0.552 29.800 30.300 0.088 0.000 0.830 700 R HN 0.631 nan 8.270 nan 0.000 0.432 701 E N -0.293 119.957 120.200 0.083 0.000 2.299 701 E HA 0.213 4.563 4.350 -0.000 0.000 0.272 701 E C 0.097 176.739 176.600 0.070 0.000 1.043 701 E CA 0.504 56.938 56.400 0.056 0.000 0.895 701 E CB 1.438 31.157 29.700 0.031 0.000 1.011 701 E HN 0.253 nan 8.360 nan 0.000 0.432 702 S N 2.121 117.838 115.700 0.028 0.000 1.325 702 S HA -0.113 4.357 4.470 -0.000 0.000 0.251 702 S C -1.072 173.369 174.600 -0.265 0.000 0.776 702 S CA 0.149 58.316 58.200 -0.055 0.000 1.037 702 S CB -1.249 62.031 63.200 0.133 0.000 1.120 702 S HN 0.569 nan 8.310 nan 0.000 0.495 703 Y N 1.227 121.479 120.300 -0.080 0.000 2.379 703 Y HA 0.334 4.884 4.550 -0.000 0.000 0.342 703 Y C -2.273 173.486 175.900 -0.236 0.000 1.126 703 Y CA -1.063 56.903 58.100 -0.224 0.000 1.310 703 Y CB 1.566 39.779 38.460 -0.412 0.000 1.115 703 Y HN 0.017 nan 8.280 nan 0.000 0.505 704 P HA -0.159 nan 4.420 nan 0.000 0.236 704 P C 1.072 178.363 177.300 -0.014 0.000 1.172 704 P CA 1.249 64.343 63.100 -0.011 0.000 0.759 704 P CB 0.310 31.999 31.700 -0.018 0.000 0.843 705 A N -0.857 121.883 122.820 -0.134 0.000 2.119 705 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 705 A C 1.367 179.068 177.584 0.194 0.000 1.153 705 A CA 0.721 52.730 52.037 -0.046 0.000 0.692 705 A CB -1.141 17.773 19.000 -0.144 0.000 0.799 705 A HN 0.077 nan 8.150 nan 0.000 0.458 706 F N -0.357 119.708 119.950 0.193 0.000 2.727 706 F HA 0.219 4.746 4.527 -0.000 0.000 0.302 706 F C 1.336 177.212 175.800 0.126 0.000 1.097 706 F CA -0.411 57.687 58.000 0.162 0.000 1.330 706 F CB 0.021 39.032 39.000 0.018 0.000 1.084 706 F HN 0.040 nan 8.300 nan 0.000 0.578 707 R N 1.891 122.542 120.500 0.251 0.000 2.849 707 R HA 0.153 4.493 4.340 -0.000 0.000 0.238 707 R C 0.355 176.747 176.300 0.153 0.000 1.403 707 R CA 0.147 56.346 56.100 0.164 0.000 1.303 707 R CB -1.312 29.052 30.300 0.107 0.000 1.191 707 R HN 0.389 nan 8.270 nan 0.000 0.533 708 I N -2.705 117.988 120.570 0.204 0.000 2.982 708 I HA 0.583 4.753 4.170 -0.000 0.000 0.312 708 I C -2.582 173.628 176.117 0.155 0.000 1.041 708 I CA -3.420 57.979 61.300 0.165 0.000 1.053 708 I CB 1.586 39.701 38.000 0.192 0.000 1.248 708 I HN -0.280 nan 8.210 nan 0.000 0.471 709 P HA 0.318 nan 4.420 nan 0.000 0.275 709 P C -0.278 177.153 177.300 0.219 0.000 1.227 709 P CA -0.239 62.943 63.100 0.136 0.000 0.781 709 P CB 0.964 32.667 31.700 0.006 0.000 0.906 710 M N 1.012 120.785 119.600 0.288 0.000 2.902 710 M HA 0.146 4.626 4.480 -0.000 0.000 0.225 710 M C -0.021 176.405 176.300 0.211 0.000 1.711 710 M CA -0.021 55.416 55.300 0.228 0.000 1.213 710 M CB 0.173 32.868 32.600 0.160 0.000 1.265 710 M HN 0.008 nan 8.290 nan 0.000 0.577 711 V N 2.342 122.350 119.914 0.156 0.000 3.584 711 V HA -0.204 3.916 4.120 -0.000 0.000 0.512 711 V C -1.360 174.743 176.094 0.014 0.000 0.682 711 V CA 0.015 62.313 62.300 -0.003 0.000 2.064 711 V CB -0.112 31.707 31.823 -0.007 0.000 2.486 711 V HN 0.398 nan 8.190 nan 0.000 0.511 712 L N 8.021 129.232 121.223 -0.020 0.000 2.341 712 L HA 0.754 5.094 4.340 -0.000 0.000 0.278 712 L C -0.244 176.617 176.870 -0.015 0.000 1.005 712 L CA -0.086 54.761 54.840 0.012 0.000 0.818 712 L CB 1.773 43.866 42.059 0.058 0.000 1.259 712 L HN 0.559 nan 8.230 nan 0.000 0.418 713 I N 7.150 127.714 120.570 -0.010 0.000 2.310 713 I HA 0.314 4.484 4.170 -0.000 0.000 0.287 713 I C -2.045 174.057 176.117 -0.025 0.000 1.073 713 I CA -1.828 59.456 61.300 -0.026 0.000 1.216 713 I CB 1.056 39.046 38.000 -0.017 0.000 1.415 713 I HN 0.492 nan 8.210 nan 0.000 0.480 714 P HA 0.097 nan 4.420 nan 0.000 0.265 714 P C -0.807 176.443 177.300 -0.083 0.000 1.193 714 P CA 0.000 63.071 63.100 -0.049 0.000 0.765 714 P CB 0.703 32.360 31.700 -0.071 0.000 0.823 715 A N 1.873 124.645 122.820 -0.081 0.000 2.509 715 A HA 0.639 4.959 4.320 -0.000 0.000 0.282 715 A C -0.736 176.795 177.584 -0.088 0.000 1.054 715 A CA -0.314 51.662 52.037 -0.102 0.000 0.820 715 A CB 1.026 19.981 19.000 -0.075 0.000 1.333 715 A HN 0.523 nan 8.150 nan 0.000 0.409 716 T N 1.735 116.216 114.554 -0.122 0.000 3.486 716 T HA 0.397 4.747 4.350 -0.000 0.000 0.375 716 T C 0.510 175.133 174.700 -0.129 0.000 1.459 716 T CA 0.007 62.051 62.100 -0.094 0.000 1.151 716 T CB 0.074 68.906 68.868 -0.060 0.000 1.336 716 T HN 1.648 nan 8.240 nan 0.000 0.477 717 L N 2.980 124.146 121.223 -0.096 0.000 2.450 717 L HA 0.240 4.580 4.340 -0.000 0.000 0.224 717 L C 2.056 178.879 176.870 -0.078 0.000 1.149 717 L CA 1.690 56.476 54.840 -0.089 0.000 0.816 717 L CB -1.168 40.854 42.059 -0.062 0.000 0.932 717 L HN 0.507 nan 8.230 nan 0.000 0.449 718 S N -0.366 115.284 115.700 -0.083 0.000 2.470 718 S HA -0.031 4.439 4.470 -0.000 0.000 0.225 718 S C 0.905 175.433 174.600 -0.121 0.000 1.006 718 S CA 0.636 58.795 58.200 -0.068 0.000 0.934 718 S CB -0.715 62.452 63.200 -0.056 0.000 0.778 718 S HN 0.669 nan 8.310 nan 0.000 0.517 719 N N 2.260 120.838 118.700 -0.204 0.000 2.738 719 N HA -0.153 4.587 4.740 -0.000 0.000 0.249 719 N C -0.040 175.380 175.510 -0.150 0.000 1.047 719 N CA 0.823 53.684 53.050 -0.314 0.000 0.707 719 N CB -1.492 36.559 38.487 -0.727 0.000 0.937 719 N HN 0.640 nan 8.380 nan 0.000 0.545 720 N N -1.731 116.920 118.700 -0.081 0.000 2.203 720 N HA 0.063 4.803 4.740 -0.000 0.000 0.207 720 N C -0.321 175.162 175.510 -0.044 0.000 1.130 720 N CA -0.037 52.994 53.050 -0.032 0.000 0.861 720 N CB 0.314 38.765 38.487 -0.061 0.000 1.005 720 N HN 0.087 nan 8.380 nan 0.000 0.507 721 V N 2.741 122.612 119.914 -0.071 0.000 2.432 721 V HA 0.299 4.419 4.120 -0.000 0.000 0.271 721 V C -2.051 173.909 176.094 -0.224 0.000 1.046 721 V CA -1.342 60.861 62.300 -0.161 0.000 0.945 721 V CB 1.086 32.827 31.823 -0.136 0.000 0.992 721 V HN 0.060 nan 8.190 nan 0.000 0.471 722 P HA 0.319 nan 4.420 nan 0.000 0.269 722 P C 0.845 178.081 177.300 -0.106 0.000 1.209 722 P CA 0.864 63.829 63.100 -0.225 0.000 0.776 722 P CB 0.737 32.283 31.700 -0.256 0.000 0.876 723 G N -0.343 108.443 108.800 -0.023 0.000 2.159 723 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.227 723 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.227 723 G C 0.202 175.082 174.900 -0.034 0.000 0.986 723 G CA 0.187 45.292 45.100 0.009 0.000 0.651 723 G HN 0.863 nan 8.290 nan 0.000 0.523 724 T N -1.360 113.158 114.554 -0.059 0.000 2.802 724 T HA 0.557 4.907 4.350 -0.000 0.000 0.311 724 T C 0.164 174.802 174.700 -0.103 0.000 1.405 724 T CA 0.249 62.305 62.100 -0.075 0.000 1.016 724 T CB 1.459 70.285 68.868 -0.070 0.000 1.352 724 T HN 0.066 nan 8.240 nan 0.000 0.498 725 E N 0.525 120.657 120.200 -0.114 0.000 2.489 725 E HA 0.152 4.502 4.350 -0.000 0.000 0.204 725 E C -1.014 175.591 176.600 0.009 0.000 1.006 725 E CA 0.007 56.303 56.400 -0.174 0.000 0.936 725 E CB 0.953 30.508 29.700 -0.242 0.000 1.002 725 E HN 0.457 nan 8.360 nan 0.000 0.488 726 Y N 1.615 121.836 120.300 -0.130 0.000 2.359 726 Y HA 0.132 4.682 4.550 -0.000 0.000 0.336 726 Y C -0.616 175.208 175.900 -0.128 0.000 1.098 726 Y CA -1.190 56.822 58.100 -0.146 0.000 1.272 726 Y CB 0.734 39.133 38.460 -0.102 0.000 1.112 726 Y HN -0.129 nan 8.280 nan 0.000 0.481 727 S N 4.903 120.211 115.700 -0.653 0.000 2.592 727 S HA 0.539 5.009 4.470 -0.000 0.000 0.271 727 S C -0.120 174.062 174.600 -0.696 0.000 1.326 727 S CA -0.854 57.056 58.200 -0.484 0.000 1.024 727 S CB 1.117 64.120 63.200 -0.329 0.000 0.921 727 S HN 0.680 nan 8.310 nan 0.000 0.527 728 L N 1.998 123.023 121.223 -0.329 0.000 2.461 728 L HA 0.415 4.755 4.340 -0.000 0.000 0.272 728 L C 1.695 178.446 176.870 -0.199 0.000 1.197 728 L CA 0.843 55.568 54.840 -0.191 0.000 0.836 728 L CB -0.017 42.010 42.059 -0.054 0.000 1.105 728 L HN 1.207 nan 8.230 nan 0.000 0.477 729 G N 0.936 109.674 108.800 -0.104 0.000 2.241 729 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.244 729 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.244 729 G C 1.118 175.970 174.900 -0.080 0.000 0.998 729 G CA 0.698 45.754 45.100 -0.074 0.000 0.621 729 G HN 0.675 nan 8.290 nan 0.000 0.519 730 S N 0.428 116.012 115.700 -0.193 0.000 2.351 730 S HA -0.168 4.302 4.470 -0.000 0.000 0.220 730 S C 1.932 176.583 174.600 0.084 0.000 1.035 730 S CA 2.374 60.504 58.200 -0.117 0.000 1.031 730 S CB -0.369 62.613 63.200 -0.363 0.000 0.928 730 S HN 0.636 nan 8.310 nan 0.000 0.433 731 D N -0.401 120.139 120.400 0.232 0.000 2.149 731 D HA -0.088 4.552 4.640 -0.000 0.000 0.198 731 D C 1.914 178.259 176.300 0.076 0.000 0.990 731 D CA 1.818 55.921 54.000 0.171 0.000 0.839 731 D CB -0.387 40.491 40.800 0.131 0.000 0.948 731 D HN 0.422 nan 8.370 nan 0.000 0.460 732 T N -0.723 113.864 114.554 0.055 0.000 2.777 732 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 732 T C 1.876 176.580 174.700 0.007 0.000 1.040 732 T CA 1.372 63.483 62.100 0.018 0.000 1.141 732 T CB -0.410 68.459 68.868 0.002 0.000 0.868 732 T HN 0.295 nan 8.240 nan 0.000 0.444 733 A N 1.191 124.011 122.820 0.001 0.000 1.872 733 A HA 0.048 4.368 4.320 -0.000 0.000 0.214 733 A C 2.200 179.778 177.584 -0.011 0.000 1.187 733 A CA 1.062 53.090 52.037 -0.016 0.000 0.614 733 A CB -0.846 18.137 19.000 -0.029 0.000 0.826 733 A HN 0.397 nan 8.150 nan 0.000 0.442 734 L N 0.716 121.944 121.223 0.008 0.000 2.043 734 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 734 L C 1.921 178.795 176.870 0.007 0.000 1.075 734 L CA 2.179 57.020 54.840 0.002 0.000 0.752 734 L CB -0.726 41.347 42.059 0.023 0.000 0.891 734 L HN 0.391 nan 8.230 nan 0.000 0.432 735 N N -0.526 118.186 118.700 0.019 0.000 2.171 735 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 735 N C 1.792 177.313 175.510 0.019 0.000 1.021 735 N CA 1.306 54.369 53.050 0.022 0.000 0.854 735 N CB -0.158 38.344 38.487 0.025 0.000 0.994 735 N HN 0.500 nan 8.380 nan 0.000 0.426 736 A N 1.627 124.454 122.820 0.011 0.000 1.865 736 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 736 A C 2.219 179.818 177.584 0.026 0.000 1.191 736 A CA 1.171 53.217 52.037 0.015 0.000 0.623 736 A CB -0.846 18.151 19.000 -0.005 0.000 0.826 736 A HN 0.244 nan 8.150 nan 0.000 0.444 737 L N -0.690 120.528 121.223 -0.008 0.000 2.083 737 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 737 L C 2.450 179.345 176.870 0.041 0.000 1.083 737 L CA 2.530 57.358 54.840 -0.020 0.000 0.752 737 L CB -0.557 41.464 42.059 -0.063 0.000 0.899 737 L HN 0.564 nan 8.230 nan 0.000 0.433 738 M N -0.809 118.805 119.600 0.024 0.000 2.067 738 M HA -0.243 4.237 4.480 -0.000 0.000 0.260 738 M C 2.066 178.389 176.300 0.037 0.000 1.069 738 M CA 2.094 57.408 55.300 0.023 0.000 1.117 738 M CB -0.219 32.388 32.600 0.011 0.000 1.334 738 M HN 0.343 nan 8.290 nan 0.000 0.407 739 E N -0.778 119.447 120.200 0.042 0.000 2.110 739 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 739 E C 1.798 178.422 176.600 0.040 0.000 0.988 739 E CA 1.723 58.141 56.400 0.029 0.000 0.804 739 E CB -0.476 29.241 29.700 0.027 0.000 0.745 739 E HN 0.651 nan 8.360 nan 0.000 0.458 740 Y N 1.131 121.401 120.300 -0.051 0.000 2.070 740 Y HA -0.351 4.199 4.550 -0.000 0.000 0.280 740 Y C 2.465 178.310 175.900 -0.092 0.000 1.148 740 Y CA 1.713 59.773 58.100 -0.067 0.000 1.125 740 Y CB -0.562 37.861 38.460 -0.062 0.000 0.975 740 Y HN 0.041 nan 8.280 nan 0.000 0.492 741 C N 0.783 120.183 119.300 0.167 0.000 2.403 741 C HA -0.238 4.222 4.460 -0.000 0.000 0.277 741 C C 2.453 177.406 174.990 -0.061 0.000 1.248 741 C CA 1.428 60.473 59.018 0.045 0.000 1.762 741 C CB -1.156 26.617 27.740 0.054 0.000 2.014 741 C HN 0.656 nan 8.230 nan 0.000 0.486 742 D N 0.258 120.629 120.400 -0.049 0.000 2.092 742 D HA -0.116 4.524 4.640 -0.000 0.000 0.193 742 D C 2.188 178.422 176.300 -0.110 0.000 0.994 742 D CA 1.229 55.192 54.000 -0.062 0.000 0.828 742 D CB -0.563 40.211 40.800 -0.043 0.000 0.963 742 D HN 0.278 nan 8.370 nan 0.000 0.450 743 V N 0.647 120.465 119.914 -0.160 0.000 2.287 743 V HA -0.209 3.910 4.120 -0.000 0.000 0.248 743 V C 2.656 178.580 176.094 -0.283 0.000 1.053 743 V CA 1.078 63.252 62.300 -0.210 0.000 1.027 743 V CB -0.381 31.290 31.823 -0.253 0.000 0.646 743 V HN 0.058 nan 8.190 nan 0.000 0.447 744 V N -0.267 119.394 119.914 -0.422 0.000 2.407 744 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 744 V C 2.431 178.302 176.094 -0.372 0.000 1.055 744 V CA 2.363 64.308 62.300 -0.591 0.000 1.049 744 V CB -0.545 30.815 31.823 -0.771 0.000 0.662 744 V HN 0.575 nan 8.190 nan 0.000 0.455 745 K N -0.386 119.914 120.400 -0.165 0.000 2.097 745 K HA -0.224 4.096 4.320 -0.000 0.000 0.205 745 K C 2.250 178.863 176.600 0.023 0.000 1.050 745 K CA 1.577 57.862 56.287 -0.003 0.000 0.938 745 K CB -0.131 32.372 32.500 0.005 0.000 0.718 745 K HN 0.505 nan 8.250 nan 0.000 0.442 746 Q N 0.290 120.071 119.800 -0.032 0.000 2.096 746 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 746 Q C 2.077 178.089 176.000 0.019 0.000 0.982 746 Q CA 1.992 57.787 55.803 -0.014 0.000 0.850 746 Q CB -0.162 28.549 28.738 -0.045 0.000 0.901 746 Q HN 0.304 nan 8.270 nan 0.000 0.422 747 S N -0.332 115.369 115.700 0.001 0.000 2.351 747 S HA -0.219 4.251 4.470 -0.000 0.000 0.220 747 S C 1.977 176.693 174.600 0.194 0.000 1.035 747 S CA 1.552 59.795 58.200 0.073 0.000 1.031 747 S CB -0.498 62.723 63.200 0.035 0.000 0.928 747 S HN 0.567 nan 8.310 nan 0.000 0.433 748 A N 0.360 123.377 122.820 0.329 0.000 1.986 748 A HA -0.069 4.251 4.320 -0.000 0.000 0.220 748 A C 2.383 180.085 177.584 0.197 0.000 1.171 748 A CA 2.202 54.443 52.037 0.339 0.000 0.640 748 A CB -1.030 18.241 19.000 0.452 0.000 0.811 748 A HN 0.570 nan 8.150 nan 0.000 0.451 749 S N -0.428 115.365 115.700 0.154 0.000 2.453 749 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 749 S C 2.140 176.800 174.600 0.099 0.000 1.005 749 S CA 1.069 59.345 58.200 0.127 0.000 0.949 749 S CB -0.139 63.106 63.200 0.075 0.000 0.774 749 S HN 0.651 nan 8.310 nan 0.000 0.510 750 S N 0.901 116.650 115.700 0.083 0.000 2.414 750 S HA -0.032 4.438 4.470 -0.000 0.000 0.227 750 S C 1.938 176.570 174.600 0.054 0.000 1.022 750 S CA 1.043 59.279 58.200 0.059 0.000 0.958 750 S CB -0.255 62.974 63.200 0.047 0.000 0.797 750 S HN 0.525 nan 8.310 nan 0.000 0.493 751 T N 1.554 116.143 114.554 0.058 0.000 3.014 751 T HA 0.134 4.484 4.350 -0.000 0.000 0.263 751 T C -0.008 174.699 174.700 0.012 0.000 1.078 751 T CA 0.089 62.205 62.100 0.027 0.000 1.135 751 T CB 0.008 68.882 68.868 0.010 0.000 0.895 751 T HN 0.281 nan 8.240 nan 0.000 0.480 752 R N -0.561 119.963 120.500 0.041 0.000 1.082 752 R HA -0.096 4.244 4.340 -0.000 0.000 0.424 752 R C 0.665 176.907 176.300 -0.097 0.000 1.359 752 R CA 0.543 56.669 56.100 0.044 0.000 1.252 752 R CB -1.920 28.409 30.300 0.049 0.000 3.555 752 R HN 0.744 nan 8.270 nan 0.000 0.502 753 G N 1.340 109.996 108.800 -0.241 0.000 2.314 753 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.292 753 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.292 753 G C 0.029 174.438 174.900 -0.818 0.000 1.059 753 G CA 0.988 45.579 45.100 -0.848 0.000 0.982 753 G HN 0.891 nan 8.290 nan 0.000 0.505 754 R N -0.564 119.560 120.500 -0.626 0.000 2.626 754 R HA 0.740 5.080 4.340 -0.000 0.000 0.274 754 R C -0.406 175.942 176.300 0.080 0.000 1.031 754 R CA -0.042 55.917 56.100 -0.236 0.000 0.898 754 R CB 1.354 31.555 30.300 -0.165 0.000 1.222 754 R HN 1.046 nan 8.270 nan 0.000 0.455 755 A N 3.604 126.480 122.820 0.094 0.000 2.413 755 A HA 0.757 5.077 4.320 -0.000 0.000 0.307 755 A C -1.637 175.945 177.584 -0.003 0.000 1.087 755 A CA -0.581 51.570 52.037 0.191 0.000 0.750 755 A CB 1.048 20.219 19.000 0.285 0.000 1.296 755 A HN 0.551 nan 8.150 nan 0.000 0.423 756 F N 0.878 120.892 119.950 0.106 0.000 2.482 756 F HA 0.492 5.019 4.527 -0.000 0.000 0.331 756 F C 0.002 175.834 175.800 0.054 0.000 1.115 756 F CA -0.463 57.580 58.000 0.072 0.000 0.955 756 F CB 2.416 41.450 39.000 0.055 0.000 1.136 756 F HN 0.279 nan 8.300 nan 0.000 0.452 757 V N 5.214 125.261 119.914 0.223 0.000 2.348 757 V HA 0.295 4.415 4.120 -0.000 0.000 0.270 757 V C -0.402 175.726 176.094 0.058 0.000 1.037 757 V CA -0.676 61.697 62.300 0.122 0.000 0.872 757 V CB 1.089 32.962 31.823 0.085 0.000 1.002 757 V HN 0.441 nan 8.190 nan 0.000 0.464 758 V N 4.179 124.111 119.914 0.030 0.000 2.350 758 V HA 0.247 4.367 4.120 -0.000 0.000 0.276 758 V C 0.114 176.122 176.094 -0.144 0.000 1.028 758 V CA -0.649 61.623 62.300 -0.048 0.000 0.860 758 V CB 1.609 33.444 31.823 0.019 0.000 0.990 758 V HN 0.942 nan 8.190 nan 0.000 0.453 759 D N 3.991 124.206 120.400 -0.308 0.000 2.417 759 D HA 0.240 4.880 4.640 -0.000 0.000 0.250 759 D C -0.365 175.843 176.300 -0.154 0.000 1.166 759 D CA 0.198 54.047 54.000 -0.251 0.000 0.881 759 D CB 0.540 41.109 40.800 -0.384 0.000 1.164 759 D HN 0.602 nan 8.370 nan 0.000 0.467 760 C N 3.236 122.477 119.300 -0.098 0.000 2.529 760 C HA 0.458 4.918 4.460 -0.000 0.000 0.329 760 C C 0.383 175.326 174.990 -0.080 0.000 1.194 760 C CA -0.807 58.151 59.018 -0.101 0.000 1.779 760 C CB 1.536 29.224 27.740 -0.086 0.000 2.322 760 C HN 0.633 nan 8.230 nan 0.000 0.500 761 Q N -0.017 119.725 119.800 -0.096 0.000 2.189 761 Q HA 0.532 4.872 4.340 -0.000 0.000 0.193 761 Q C 0.873 176.835 176.000 -0.064 0.000 1.034 761 Q CA 0.489 56.240 55.803 -0.086 0.000 1.062 761 Q CB 0.784 29.454 28.738 -0.114 0.000 1.118 761 Q HN 1.183 nan 8.270 nan 0.000 0.569 762 G N -1.105 107.661 108.800 -0.056 0.000 2.151 762 G HA2 -0.066 3.893 3.960 -0.000 0.000 0.140 762 G HA3 -0.066 3.893 3.960 -0.000 0.000 0.140 762 G C 0.558 175.440 174.900 -0.030 0.000 1.020 762 G CA -0.008 45.068 45.100 -0.041 0.000 0.688 762 G HN 1.101 nan 8.290 nan 0.000 0.500 763 G N 1.081 109.859 108.800 -0.035 0.000 2.690 763 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.334 763 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.334 763 G C 0.875 175.760 174.900 -0.024 0.000 1.250 763 G CA 1.039 46.117 45.100 -0.037 0.000 0.994 763 G HN 1.025 nan 8.290 nan 0.000 0.549 764 N N 1.169 119.849 118.700 -0.034 0.000 2.268 764 N HA 0.249 4.989 4.740 -0.000 0.000 0.204 764 N C 0.249 175.786 175.510 0.045 0.000 1.124 764 N CA 0.880 53.923 53.050 -0.011 0.000 0.838 764 N CB 0.809 39.268 38.487 -0.047 0.000 0.994 764 N HN 0.482 nan 8.380 nan 0.000 0.489 765 S N -0.436 115.302 115.700 0.062 0.000 2.438 765 S HA 0.441 4.910 4.470 -0.000 0.000 0.316 765 S C 1.135 175.808 174.600 0.121 0.000 1.084 765 S CA -0.748 57.554 58.200 0.170 0.000 1.107 765 S CB 0.895 64.183 63.200 0.146 0.000 0.981 765 S HN 0.270 nan 8.310 nan 0.000 0.466 766 G N 3.540 112.473 108.800 0.223 0.000 3.061 766 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.208 766 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.208 766 G C 0.739 175.498 174.900 -0.236 0.000 1.175 766 G CA 0.069 45.215 45.100 0.077 0.000 0.812 766 G HN 0.849 nan 8.290 nan 0.000 0.523 767 Y N 0.752 120.618 120.300 -0.723 0.000 2.053 767 Y HA -0.215 4.335 4.550 -0.000 0.000 0.277 767 Y C 2.404 178.010 175.900 -0.490 0.000 1.159 767 Y CA 1.849 59.213 58.100 -1.227 0.000 1.125 767 Y CB -0.292 37.366 38.460 -1.337 0.000 0.969 767 Y HN 0.179 nan 8.280 nan 0.000 0.492 768 L N 0.806 121.862 121.223 -0.278 0.000 1.970 768 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 768 L C 2.554 179.283 176.870 -0.235 0.000 1.071 768 L CA 2.364 57.065 54.840 -0.231 0.000 0.751 768 L CB -1.654 40.350 42.059 -0.092 0.000 0.889 768 L HN 0.357 nan 8.230 nan 0.000 0.432 769 A N -1.698 121.012 122.820 -0.183 0.000 1.892 769 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 769 A C 2.260 179.723 177.584 -0.202 0.000 1.188 769 A CA 2.684 54.630 52.037 -0.152 0.000 0.631 769 A CB -1.371 17.572 19.000 -0.096 0.000 0.822 769 A HN 0.553 nan 8.150 nan 0.000 0.447 770 T N -1.155 113.236 114.554 -0.272 0.000 2.595 770 T HA -0.201 4.149 4.350 -0.000 0.000 0.264 770 T C 1.786 176.205 174.700 -0.468 0.000 1.058 770 T CA 2.037 63.926 62.100 -0.353 0.000 1.166 770 T CB -0.552 68.068 68.868 -0.415 0.000 0.863 770 T HN 0.529 nan 8.240 nan 0.000 0.415 771 Y N 1.422 121.443 120.300 -0.464 0.000 2.224 771 Y HA 0.001 4.550 4.550 -0.000 0.000 0.289 771 Y C 2.694 178.443 175.900 -0.253 0.000 1.146 771 Y CA 0.643 58.516 58.100 -0.379 0.000 1.182 771 Y CB -0.887 37.254 38.460 -0.531 0.000 0.983 771 Y HN 0.216 nan 8.280 nan 0.000 0.524 772 A N -0.646 122.092 122.820 -0.137 0.000 1.865 772 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 772 A C 2.518 180.039 177.584 -0.105 0.000 1.191 772 A CA 2.192 54.171 52.037 -0.096 0.000 0.623 772 A CB -1.428 17.516 19.000 -0.094 0.000 0.826 772 A HN 0.419 nan 8.150 nan 0.000 0.444 773 S N -0.693 114.924 115.700 -0.139 0.000 2.372 773 S HA -0.225 4.245 4.470 -0.000 0.000 0.227 773 S C 1.966 176.484 174.600 -0.137 0.000 1.044 773 S CA 1.897 60.018 58.200 -0.132 0.000 1.050 773 S CB -0.547 62.558 63.200 -0.158 0.000 0.901 773 S HN 0.505 nan 8.310 nan 0.000 0.447 774 L N 1.476 122.583 121.223 -0.194 0.000 2.083 774 L HA 0.121 4.461 4.340 -0.000 0.000 0.209 774 L C 2.536 179.336 176.870 -0.118 0.000 1.083 774 L CA 1.963 56.692 54.840 -0.185 0.000 0.752 774 L CB -0.926 40.963 42.059 -0.284 0.000 0.899 774 L HN 0.407 nan 8.230 nan 0.000 0.433 775 A N -1.398 121.368 122.820 -0.090 0.000 2.119 775 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 775 A C 1.866 179.427 177.584 -0.039 0.000 1.152 775 A CA 1.349 53.356 52.037 -0.050 0.000 0.708 775 A CB -0.620 18.366 19.000 -0.024 0.000 0.805 775 A HN 0.437 nan 8.150 nan 0.000 0.460 776 V N -4.895 114.991 119.914 -0.045 0.000 3.528 776 V HA 0.552 4.672 4.120 -0.000 0.000 0.294 776 V C 1.121 177.195 176.094 -0.033 0.000 1.404 776 V CA 0.448 62.729 62.300 -0.031 0.000 1.065 776 V CB -0.713 31.096 31.823 -0.024 0.000 0.904 776 V HN 1.360 nan 8.190 nan 0.000 0.435 777 G N 0.976 109.748 108.800 -0.048 0.000 2.256 777 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.272 777 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.272 777 G C 0.345 175.227 174.900 -0.031 0.000 1.076 777 G CA 0.302 45.376 45.100 -0.043 0.000 0.882 777 G HN 1.734 nan 8.290 nan 0.000 0.497 778 A N -0.671 122.122 122.820 -0.045 0.000 2.540 778 A HA 0.532 4.852 4.320 -0.000 0.000 0.239 778 A C 1.427 178.991 177.584 -0.032 0.000 1.061 778 A CA 1.415 53.428 52.037 -0.040 0.000 0.758 778 A CB 0.484 19.446 19.000 -0.063 0.000 0.991 778 A HN 0.839 nan 8.150 nan 0.000 0.502 779 Q N 1.768 121.555 119.800 -0.021 0.000 2.016 779 Q HA -0.009 4.331 4.340 -0.000 0.000 0.200 779 Q C 0.278 176.281 176.000 0.005 0.000 0.978 779 Q CA 2.167 57.976 55.803 0.010 0.000 0.833 779 Q CB -0.115 28.592 28.738 -0.052 0.000 0.895 779 Q HN 0.589 nan 8.270 nan 0.000 0.427 780 V N -0.196 119.673 119.914 -0.075 0.000 3.074 780 V HA 0.724 4.844 4.120 -0.000 0.000 0.314 780 V C -0.891 175.034 176.094 -0.281 0.000 1.117 780 V CA -0.270 61.912 62.300 -0.196 0.000 1.014 780 V CB 2.058 33.715 31.823 -0.277 0.000 1.057 780 V HN 0.329 nan 8.190 nan 0.000 0.438 781 S N 1.188 116.641 115.700 -0.411 0.000 2.592 781 S HA 0.645 5.115 4.470 -0.000 0.000 0.275 781 S C -1.678 172.717 174.600 -0.343 0.000 1.169 781 S CA -0.687 57.321 58.200 -0.320 0.000 0.958 781 S CB 0.766 63.858 63.200 -0.179 0.000 1.095 781 S HN 0.526 nan 8.310 nan 0.000 0.471 782 Y N 2.231 122.528 120.300 -0.005 0.000 2.341 782 Y HA 0.647 5.197 4.550 -0.000 0.000 0.337 782 Y C 0.527 176.427 175.900 -0.001 0.000 1.014 782 Y CA -1.047 57.054 58.100 0.002 0.000 1.111 782 Y CB 1.983 40.447 38.460 0.007 0.000 1.194 782 Y HN 0.772 nan 8.280 nan 0.000 0.462 783 V N 0.677 120.699 119.914 0.179 0.000 3.046 783 V HA 0.511 4.630 4.120 -0.000 0.000 0.316 783 V C -2.642 173.510 176.094 0.096 0.000 1.104 783 V CA -2.704 59.664 62.300 0.114 0.000 1.006 783 V CB 1.872 33.763 31.823 0.113 0.000 1.058 783 V HN 0.417 nan 8.190 nan 0.000 0.440 784 P HA -0.050 nan 4.420 nan 0.000 0.216 784 P C 1.242 178.571 177.300 0.050 0.000 1.153 784 P CA 1.431 64.563 63.100 0.053 0.000 0.848 784 P CB 0.191 31.918 31.700 0.045 0.000 0.787 785 E N -0.398 119.845 120.200 0.071 0.000 2.209 785 E HA -0.177 4.172 4.350 -0.000 0.000 0.196 785 E C 1.754 178.376 176.600 0.037 0.000 0.993 785 E CA 1.113 57.542 56.400 0.049 0.000 0.819 785 E CB -0.434 29.302 29.700 0.060 0.000 0.745 785 E HN 0.458 nan 8.360 nan 0.000 0.477 786 E N -0.771 119.462 120.200 0.054 0.000 2.290 786 E HA 0.209 4.559 4.350 -0.000 0.000 0.199 786 E C 0.863 177.485 176.600 0.036 0.000 0.912 786 E CA 0.283 56.712 56.400 0.048 0.000 0.924 786 E CB 0.609 30.354 29.700 0.074 0.000 0.901 786 E HN 0.199 nan 8.360 nan 0.000 0.487 787 G N 1.511 110.333 108.800 0.036 0.000 2.725 787 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 787 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 787 G C -0.480 174.393 174.900 -0.045 0.000 1.357 787 G CA -0.445 44.652 45.100 -0.005 0.000 0.866 787 G HN 0.141 nan 8.290 nan 0.000 0.548 788 I N 1.634 122.121 120.570 -0.139 0.000 2.495 788 I HA 0.381 4.551 4.170 -0.000 0.000 0.277 788 I C 0.786 176.798 176.117 -0.175 0.000 1.045 788 I CA -0.270 60.849 61.300 -0.302 0.000 1.135 788 I CB 1.480 39.151 38.000 -0.547 0.000 1.241 788 I HN 0.790 nan 8.210 nan 0.000 0.469 789 S N 5.752 121.394 115.700 -0.097 0.000 2.548 789 S HA 0.342 4.812 4.470 -0.000 0.000 0.277 789 S C 1.212 175.779 174.600 -0.054 0.000 1.315 789 S CA -0.683 57.485 58.200 -0.054 0.000 1.050 789 S CB 1.297 64.487 63.200 -0.017 0.000 0.918 789 S HN 0.610 nan 8.310 nan 0.000 0.497 790 L N 1.549 122.747 121.223 -0.042 0.000 2.129 790 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 790 L C 2.892 179.760 176.870 -0.003 0.000 1.087 790 L CA 1.952 56.776 54.840 -0.027 0.000 0.757 790 L CB -0.592 41.456 42.059 -0.019 0.000 0.896 790 L HN 0.895 nan 8.230 nan 0.000 0.434 791 E N -0.098 120.103 120.200 0.003 0.000 2.047 791 E HA -0.294 4.056 4.350 -0.000 0.000 0.191 791 E C 2.166 178.788 176.600 0.036 0.000 0.987 791 E CA 1.301 57.712 56.400 0.017 0.000 0.799 791 E CB 0.079 29.788 29.700 0.014 0.000 0.752 791 E HN 0.303 nan 8.360 nan 0.000 0.449 792 Q N 1.020 120.843 119.800 0.039 0.000 2.096 792 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 792 Q C 2.150 178.225 176.000 0.125 0.000 0.982 792 Q CA 1.336 57.189 55.803 0.083 0.000 0.850 792 Q CB -0.530 28.270 28.738 0.103 0.000 0.901 792 Q HN 0.376 nan 8.270 nan 0.000 0.422 793 L N -0.517 120.754 121.223 0.080 0.000 2.042 793 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 793 L C 2.290 179.233 176.870 0.121 0.000 1.076 793 L CA 1.856 56.759 54.840 0.106 0.000 0.749 793 L CB -0.621 41.441 42.059 0.005 0.000 0.893 793 L HN 0.324 nan 8.230 nan 0.000 0.432 794 S N -0.480 115.269 115.700 0.081 0.000 2.368 794 S HA -0.216 4.253 4.470 -0.000 0.000 0.225 794 S C 1.702 176.365 174.600 0.105 0.000 1.030 794 S CA 1.491 59.740 58.200 0.082 0.000 0.999 794 S CB -0.045 63.186 63.200 0.052 0.000 0.844 794 S HN 0.459 nan 8.310 nan 0.000 0.459 795 E N 0.443 120.702 120.200 0.098 0.000 2.051 795 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 795 E C 1.754 178.449 176.600 0.158 0.000 0.991 795 E CA 1.257 57.718 56.400 0.102 0.000 0.799 795 E CB -0.143 29.596 29.700 0.066 0.000 0.748 795 E HN 0.457 nan 8.360 nan 0.000 0.449 796 D N 0.678 121.189 120.400 0.185 0.000 2.123 796 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 796 D C 1.996 178.438 176.300 0.237 0.000 0.992 796 D CA 0.964 55.111 54.000 0.245 0.000 0.833 796 D CB -0.136 40.820 40.800 0.261 0.000 0.954 796 D HN 0.232 nan 8.370 nan 0.000 0.455 797 I N 0.971 121.678 120.570 0.229 0.000 2.315 797 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 797 I C 2.379 178.658 176.117 0.271 0.000 1.117 797 I CA 0.849 62.322 61.300 0.288 0.000 1.404 797 I CB -0.139 38.008 38.000 0.244 0.000 1.071 797 I HN -0.102 nan 8.210 nan 0.000 0.419 798 E N 0.469 120.787 120.200 0.197 0.000 2.047 798 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 798 E C 1.986 178.669 176.600 0.139 0.000 0.987 798 E CA 1.291 57.789 56.400 0.163 0.000 0.799 798 E CB -0.530 29.241 29.700 0.120 0.000 0.752 798 E HN 0.482 nan 8.360 nan 0.000 0.449 799 Y N 1.629 121.928 120.300 -0.002 0.000 2.053 799 Y HA -0.264 4.286 4.550 -0.000 0.000 0.277 799 Y C 2.171 177.987 175.900 -0.142 0.000 1.159 799 Y CA 1.266 59.326 58.100 -0.067 0.000 1.125 799 Y CB -0.791 37.633 38.460 -0.060 0.000 0.969 799 Y HN -0.009 nan 8.280 nan 0.000 0.492 800 L N 0.796 121.797 121.223 -0.371 0.000 1.997 800 L HA -0.258 4.082 4.340 -0.000 0.000 0.216 800 L C 2.749 179.219 176.870 -0.667 0.000 1.074 800 L CA 2.221 56.660 54.840 -0.668 0.000 0.763 800 L CB -1.929 39.880 42.059 -0.417 0.000 0.890 800 L HN 0.445 nan 8.230 nan 0.000 0.434 801 A N -1.370 121.280 122.820 -0.284 0.000 1.884 801 A HA -0.349 3.971 4.320 -0.000 0.000 0.219 801 A C 2.206 179.760 177.584 -0.050 0.000 1.197 801 A CA 2.338 54.394 52.037 0.032 0.000 0.637 801 A CB -0.717 18.479 19.000 0.326 0.000 0.827 801 A HN 0.618 nan 8.150 nan 0.000 0.450 802 Q N -0.580 119.166 119.800 -0.090 0.000 2.050 802 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 802 Q C 2.525 178.389 176.000 -0.226 0.000 0.980 802 Q CA 1.718 57.458 55.803 -0.104 0.000 0.840 802 Q CB -0.230 28.474 28.738 -0.057 0.000 0.898 802 Q HN 0.698 nan 8.270 nan 0.000 0.424 803 S N 0.480 115.932 115.700 -0.413 0.000 2.381 803 S HA -0.210 4.260 4.470 -0.000 0.000 0.230 803 S C 1.579 175.847 174.600 -0.554 0.000 1.052 803 S CA 1.554 59.416 58.200 -0.564 0.000 1.068 803 S CB -0.476 62.199 63.200 -0.875 0.000 0.918 803 S HN 0.327 nan 8.310 nan 0.000 0.448 804 F N 1.628 121.364 119.950 -0.356 0.000 2.234 804 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 804 F C 2.526 178.185 175.800 -0.235 0.000 1.087 804 F CA 0.847 58.671 58.000 -0.293 0.000 1.340 804 F CB -0.301 38.548 39.000 -0.251 0.000 1.031 804 F HN 0.255 nan 8.300 nan 0.000 0.500 805 E N 0.512 120.703 120.200 -0.016 0.000 2.015 805 E HA -0.262 4.088 4.350 -0.000 0.000 0.191 805 E C 2.041 178.569 176.600 -0.119 0.000 0.991 805 E CA 1.265 57.642 56.400 -0.038 0.000 0.802 805 E CB -0.311 29.375 29.700 -0.023 0.000 0.759 805 E HN 0.295 nan 8.360 nan 0.000 0.447 806 K N 0.932 121.226 120.400 -0.176 0.000 2.152 806 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 806 K C 2.010 178.408 176.600 -0.337 0.000 1.048 806 K CA 1.153 57.311 56.287 -0.215 0.000 0.933 806 K CB -0.078 32.295 32.500 -0.212 0.000 0.721 806 K HN 0.101 nan 8.250 nan 0.000 0.447 807 A N 0.896 123.406 122.820 -0.517 0.000 2.066 807 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 807 A C 0.240 177.557 177.584 -0.446 0.000 1.157 807 A CA 1.229 52.701 52.037 -0.941 0.000 0.670 807 A CB -0.252 17.991 19.000 -1.261 0.000 0.804 807 A HN 0.586 nan 8.150 nan 0.000 0.453 808 E N -2.900 117.170 120.200 -0.216 0.000 3.365 808 E HA -0.268 4.082 4.350 -0.000 0.000 0.286 808 E C 0.987 177.567 176.600 -0.034 0.000 1.466 808 E CA 0.924 57.270 56.400 -0.090 0.000 1.995 808 E CB -1.657 28.001 29.700 -0.070 0.000 1.981 808 E HN 0.642 nan 8.360 nan 0.000 0.495 809 G N 0.546 109.350 108.800 0.005 0.000 3.189 809 G HA2 0.180 4.140 3.960 -0.000 0.000 0.225 809 G HA3 0.180 4.140 3.960 -0.000 0.000 0.225 809 G C 0.482 175.442 174.900 0.099 0.000 1.159 809 G CA 0.074 45.200 45.100 0.044 0.000 0.763 809 G HN 0.082 nan 8.290 nan 0.000 0.549 810 R N -0.326 120.258 120.500 0.139 0.000 2.740 810 R HA 0.186 4.526 4.340 -0.000 0.000 0.263 810 R C 1.902 178.374 176.300 0.285 0.000 0.997 810 R CA 0.933 57.188 56.100 0.259 0.000 1.108 810 R CB 0.436 31.015 30.300 0.465 0.000 0.969 810 R HN 0.091 nan 8.270 nan 0.000 0.431 811 G N 1.713 110.618 108.800 0.175 0.000 2.534 811 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 811 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 811 G C 0.292 175.222 174.900 0.049 0.000 1.128 811 G CA 0.360 45.519 45.100 0.099 0.000 0.784 811 G HN 0.412 nan 8.290 nan 0.000 0.542 812 R N -0.530 119.942 120.500 -0.047 0.000 2.772 812 R HA 0.253 4.593 4.340 -0.000 0.000 0.358 812 R C -0.697 175.418 176.300 -0.309 0.000 1.143 812 R CA -0.328 55.684 56.100 -0.147 0.000 1.153 812 R CB -0.005 30.188 30.300 -0.178 0.000 1.329 812 R HN 0.265 nan 8.270 nan 0.000 0.615 813 F N 0.343 120.330 119.950 0.061 0.000 2.750 813 F HA 0.265 4.792 4.527 -0.000 0.000 0.297 813 F C 1.527 177.392 175.800 0.109 0.000 1.138 813 F CA -0.567 57.462 58.000 0.048 0.000 1.346 813 F CB 0.986 40.011 39.000 0.043 0.000 0.965 813 F HN 0.147 nan 8.300 nan 0.000 0.514 814 G N 1.189 110.122 108.800 0.222 0.000 2.491 814 G HA2 0.301 4.260 3.960 -0.000 0.000 0.242 814 G HA3 0.301 4.260 3.960 -0.000 0.000 0.242 814 G C -0.252 174.757 174.900 0.182 0.000 1.266 814 G CA -0.387 44.866 45.100 0.255 0.000 0.844 814 G HN -0.058 nan 8.290 nan 0.000 0.571 815 K N 1.322 121.857 120.400 0.226 0.000 2.316 815 K HA 0.488 4.808 4.320 -0.000 0.000 0.251 815 K C -0.544 176.146 176.600 0.150 0.000 0.934 815 K CA -0.596 55.751 56.287 0.099 0.000 0.802 815 K CB 2.611 35.082 32.500 -0.048 0.000 1.171 815 K HN 0.314 nan 8.250 nan 0.000 0.426 816 L N 2.913 124.188 121.223 0.087 0.000 2.342 816 L HA 0.604 4.944 4.340 -0.000 0.000 0.271 816 L C -0.181 176.715 176.870 0.043 0.000 1.008 816 L CA -1.024 53.877 54.840 0.102 0.000 0.818 816 L CB 1.446 43.545 42.059 0.066 0.000 1.296 816 L HN 0.437 nan 8.230 nan 0.000 0.427 817 I N 3.682 124.285 120.570 0.055 0.000 2.439 817 I HA 0.316 4.485 4.170 -0.000 0.000 0.283 817 I C -0.593 175.518 176.117 -0.010 0.000 1.023 817 I CA -0.364 60.927 61.300 -0.015 0.000 1.100 817 I CB 1.819 39.838 38.000 0.032 0.000 1.238 817 I HN 0.323 nan 8.210 nan 0.000 0.445 818 L N 6.677 127.862 121.223 -0.062 0.000 2.292 818 L HA 0.486 4.826 4.340 -0.000 0.000 0.284 818 L C 0.076 176.925 176.870 -0.035 0.000 1.065 818 L CA -0.420 54.392 54.840 -0.047 0.000 0.806 818 L CB 1.161 43.179 42.059 -0.069 0.000 1.175 818 L HN 0.494 nan 8.230 nan 0.000 0.431 819 K N 2.991 123.397 120.400 0.010 0.000 2.579 819 K HA 0.298 4.618 4.320 -0.000 0.000 0.250 819 K C -0.944 175.677 176.600 0.035 0.000 0.952 819 K CA -0.346 55.992 56.287 0.086 0.000 0.857 819 K CB 1.862 34.462 32.500 0.167 0.000 1.123 819 K HN 0.538 nan 8.250 nan 0.000 0.433 820 S N 2.186 117.911 115.700 0.040 0.000 2.549 820 S HA 0.007 4.476 4.470 -0.000 0.000 0.283 820 S C 1.295 175.910 174.600 0.025 0.000 1.320 820 S CA -0.034 58.174 58.200 0.013 0.000 1.058 820 S CB 1.036 64.248 63.200 0.020 0.000 0.882 820 S HN 0.636 nan 8.310 nan 0.000 0.498 821 T N 3.700 118.260 114.554 0.010 0.000 2.635 821 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 821 T C 1.425 176.138 174.700 0.022 0.000 1.040 821 T CA 1.575 63.690 62.100 0.025 0.000 1.156 821 T CB -0.389 68.494 68.868 0.025 0.000 0.863 821 T HN 0.530 nan 8.240 nan 0.000 0.430 822 N N 1.342 120.050 118.700 0.014 0.000 2.609 822 N HA 0.156 4.896 4.740 -0.000 0.000 0.190 822 N C 1.597 177.116 175.510 0.015 0.000 1.157 822 N CA 0.524 53.580 53.050 0.010 0.000 0.918 822 N CB -0.436 38.052 38.487 0.001 0.000 0.978 822 N HN 0.467 nan 8.380 nan 0.000 0.448 823 A N -0.713 122.124 122.820 0.028 0.000 2.121 823 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 823 A C 0.877 178.458 177.584 -0.006 0.000 1.154 823 A CA 0.704 52.761 52.037 0.034 0.000 0.679 823 A CB 0.074 19.124 19.000 0.082 0.000 0.795 823 A HN 0.176 nan 8.150 nan 0.000 0.458 824 S N -2.075 113.620 115.700 -0.008 0.000 2.586 824 S HA 0.321 4.791 4.470 -0.000 0.000 0.296 824 S C -0.013 174.583 174.600 -0.007 0.000 1.120 824 S CA -0.570 57.615 58.200 -0.024 0.000 0.927 824 S CB 0.747 63.912 63.200 -0.058 0.000 1.114 824 S HN 0.277 nan 8.310 nan 0.000 0.453 825 K N 2.422 122.818 120.400 -0.007 0.000 2.243 825 K HA 0.151 4.471 4.320 -0.000 0.000 0.201 825 K C 2.056 178.657 176.600 0.002 0.000 1.051 825 K CA 1.072 57.359 56.287 0.001 0.000 0.970 825 K CB -0.073 32.426 32.500 -0.001 0.000 0.755 825 K HN 0.609 nan 8.250 nan 0.000 0.465 826 A N 1.191 124.006 122.820 -0.008 0.000 1.874 826 A HA 0.045 4.365 4.320 -0.000 0.000 0.214 826 A C 0.962 178.544 177.584 -0.004 0.000 1.189 826 A CA 0.670 52.702 52.037 -0.008 0.000 0.615 826 A CB -0.104 18.885 19.000 -0.018 0.000 0.830 826 A HN 0.115 nan 8.150 nan 0.000 0.443 827 L N 1.788 123.003 121.223 -0.013 0.000 2.262 827 L HA 0.311 4.651 4.340 -0.000 0.000 0.288 827 L C 0.387 177.269 176.870 0.021 0.000 1.035 827 L CA -0.597 54.239 54.840 -0.006 0.000 0.820 827 L CB 1.430 43.465 42.059 -0.040 0.000 1.204 827 L HN 0.403 nan 8.230 nan 0.000 0.424 828 S N 2.177 117.910 115.700 0.054 0.000 2.652 828 S HA 0.487 4.957 4.470 -0.000 0.000 0.270 828 S C 1.281 175.945 174.600 0.107 0.000 1.243 828 S CA -0.107 58.157 58.200 0.106 0.000 0.999 828 S CB 1.842 65.135 63.200 0.155 0.000 0.973 828 S HN 0.645 nan 8.310 nan 0.000 0.544 829 A N 1.954 124.833 122.820 0.099 0.000 1.927 829 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 829 A C 2.230 179.857 177.584 0.071 0.000 1.185 829 A CA 2.557 54.576 52.037 -0.030 0.000 0.639 829 A CB -2.071 16.657 19.000 -0.453 0.000 0.820 829 A HN 0.920 nan 8.150 nan 0.000 0.451 830 T N -0.341 114.357 114.554 0.239 0.000 2.674 830 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 830 T C 2.050 176.817 174.700 0.112 0.000 1.039 830 T CA 1.484 63.714 62.100 0.216 0.000 1.150 830 T CB -0.160 68.863 68.868 0.258 0.000 0.864 830 T HN 0.294 nan 8.240 nan 0.000 0.427 831 K N 0.772 121.229 120.400 0.094 0.000 2.097 831 K HA 0.062 4.382 4.320 -0.000 0.000 0.206 831 K C 2.213 178.836 176.600 0.040 0.000 1.049 831 K CA 0.670 56.988 56.287 0.052 0.000 0.933 831 K CB -0.842 31.682 32.500 0.040 0.000 0.717 831 K HN 0.179 nan 8.250 nan 0.000 0.442 832 L N 1.056 122.308 121.223 0.048 0.000 2.012 832 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 832 L C 2.257 179.158 176.870 0.052 0.000 1.073 832 L CA 2.072 56.940 54.840 0.046 0.000 0.748 832 L CB -1.098 40.999 42.059 0.064 0.000 0.891 832 L HN 0.164 nan 8.230 nan 0.000 0.431 833 A N -1.194 121.657 122.820 0.052 0.000 1.908 833 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 833 A C 2.184 179.769 177.584 0.002 0.000 1.181 833 A CA 1.885 53.942 52.037 0.033 0.000 0.627 833 A CB -0.573 18.444 19.000 0.029 0.000 0.818 833 A HN 0.575 nan 8.150 nan 0.000 0.445 834 E N -0.541 119.663 120.200 0.006 0.000 2.051 834 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 834 E C 2.040 178.624 176.600 -0.027 0.000 0.991 834 E CA 1.316 57.708 56.400 -0.014 0.000 0.799 834 E CB -0.291 29.409 29.700 -0.001 0.000 0.748 834 E HN 0.386 nan 8.360 nan 0.000 0.449 835 V N 1.508 121.416 119.914 -0.010 0.000 2.255 835 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 835 V C 2.282 178.361 176.094 -0.026 0.000 1.051 835 V CA 1.679 63.970 62.300 -0.014 0.000 1.018 835 V CB -0.409 31.413 31.823 -0.001 0.000 0.641 835 V HN 0.271 nan 8.190 nan 0.000 0.445 836 I N -0.122 120.446 120.570 -0.004 0.000 2.163 836 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 836 I C 2.544 178.566 176.117 -0.158 0.000 1.085 836 I CA 2.093 63.388 61.300 -0.008 0.000 1.347 836 I CB -0.690 37.365 38.000 0.092 0.000 1.044 836 I HN 0.326 nan 8.210 nan 0.000 0.408 837 T N 0.591 115.048 114.554 -0.161 0.000 2.788 837 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 837 T C 1.960 176.526 174.700 -0.223 0.000 1.044 837 T CA 1.412 63.362 62.100 -0.249 0.000 1.139 837 T CB -0.260 68.509 68.868 -0.166 0.000 0.867 837 T HN 0.497 nan 8.240 nan 0.000 0.454 838 A N 1.363 124.099 122.820 -0.140 0.000 1.840 838 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 838 A C 2.202 179.715 177.584 -0.117 0.000 1.198 838 A CA 1.673 53.645 52.037 -0.109 0.000 0.608 838 A CB -0.686 18.273 19.000 -0.067 0.000 0.839 838 A HN 0.403 nan 8.150 nan 0.000 0.443 839 E N 0.097 120.238 120.200 -0.098 0.000 2.160 839 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 839 E C 2.017 178.541 176.600 -0.125 0.000 0.991 839 E CA 1.359 57.715 56.400 -0.073 0.000 0.810 839 E CB -0.411 29.275 29.700 -0.023 0.000 0.742 839 E HN 0.518 nan 8.360 nan 0.000 0.466 840 A N 0.604 123.255 122.820 -0.282 0.000 1.883 840 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 840 A C 1.043 178.457 177.584 -0.282 0.000 1.186 840 A CA 1.614 53.341 52.037 -0.516 0.000 0.624 840 A CB -0.346 17.984 19.000 -1.117 0.000 0.822 840 A HN 0.357 nan 8.150 nan 0.000 0.444 841 D N -3.355 116.912 120.400 -0.223 0.000 2.739 841 D HA -0.101 4.539 4.640 -0.000 0.000 0.240 841 D C 0.945 177.170 176.300 -0.125 0.000 1.114 841 D CA 1.929 55.848 54.000 -0.135 0.000 0.695 841 D CB -1.498 39.254 40.800 -0.081 0.000 1.078 841 D HN 1.508 nan 8.370 nan 0.000 0.434 842 G N -0.061 108.640 108.800 -0.165 0.000 2.284 842 G HA2 -0.460 3.500 3.960 -0.000 0.000 0.247 842 G HA3 -0.460 3.500 3.960 -0.000 0.000 0.247 842 G C 1.314 176.151 174.900 -0.104 0.000 1.012 842 G CA 0.758 45.783 45.100 -0.125 0.000 0.618 842 G HN 0.563 nan 8.290 nan 0.000 0.521 843 R N -0.178 120.271 120.500 -0.084 0.000 2.152 843 R HA 0.322 4.662 4.340 -0.000 0.000 0.232 843 R C 1.010 177.387 176.300 0.128 0.000 1.117 843 R CA 1.577 57.707 56.100 0.050 0.000 0.981 843 R CB -0.229 30.174 30.300 0.172 0.000 0.870 843 R HN 1.075 nan 8.270 nan 0.000 0.451 844 F N -1.837 118.021 119.950 -0.155 0.000 2.829 844 F HA 0.323 4.850 4.527 -0.000 0.000 0.319 844 F C -2.103 173.561 175.800 -0.226 0.000 1.153 844 F CA -1.871 55.938 58.000 -0.317 0.000 0.912 844 F CB 0.854 39.535 39.000 -0.531 0.000 1.292 844 F HN -0.152 nan 8.300 nan 0.000 0.447 845 D N 1.750 122.034 120.400 -0.192 0.000 2.687 845 D HA 0.841 5.481 4.640 -0.000 0.000 0.264 845 D C -1.454 174.801 176.300 -0.075 0.000 1.091 845 D CA -0.666 53.196 54.000 -0.230 0.000 1.123 845 D CB 1.691 42.375 40.800 -0.194 0.000 1.407 845 D HN 1.186 nan 8.370 nan 0.000 0.591 846 A N -0.455 122.296 122.820 -0.116 0.000 2.549 846 A HA 0.661 4.981 4.320 -0.000 0.000 0.297 846 A C -1.148 176.328 177.584 -0.179 0.000 1.061 846 A CA -0.861 51.111 52.037 -0.108 0.000 0.690 846 A CB 1.739 20.755 19.000 0.026 0.000 1.287 846 A HN 0.360 nan 8.150 nan 0.000 0.402 847 K N 1.338 121.547 120.400 -0.319 0.000 2.385 847 K HA 0.700 5.020 4.320 -0.000 0.000 0.248 847 K C -2.971 173.635 176.600 0.009 0.000 0.955 847 K CA -2.128 54.030 56.287 -0.214 0.000 0.816 847 K CB 2.279 34.567 32.500 -0.354 0.000 1.250 847 K HN 0.559 nan 8.250 nan 0.000 0.434 848 P HA 0.492 nan 4.420 nan 0.000 0.280 848 P C -1.366 176.104 177.300 0.283 0.000 1.272 848 P CA -0.698 62.502 63.100 0.166 0.000 0.819 848 P CB 1.213 33.035 31.700 0.203 0.000 1.122 849 A N 1.133 124.005 122.820 0.087 0.000 2.456 849 A HA 0.536 4.856 4.320 -0.000 0.000 0.288 849 A C -1.833 175.712 177.584 -0.064 0.000 1.042 849 A CA -0.387 51.749 52.037 0.166 0.000 0.738 849 A CB 0.592 19.721 19.000 0.215 0.000 1.266 849 A HN 0.421 nan 8.150 nan 0.000 0.407 850 Y N 3.905 124.276 120.300 0.117 0.000 2.915 850 Y HA 0.320 4.870 4.550 -0.000 0.000 0.350 850 Y C -1.309 174.534 175.900 -0.095 0.000 1.061 850 Y CA -1.721 56.380 58.100 0.002 0.000 1.179 850 Y CB 1.024 39.496 38.460 0.021 0.000 1.180 850 Y HN 0.649 nan 8.280 nan 0.000 0.605 851 P HA -0.151 nan 4.420 nan 0.000 0.220 851 P C 1.327 178.490 177.300 -0.229 0.000 1.144 851 P CA 1.735 64.451 63.100 -0.641 0.000 0.800 851 P CB 0.513 31.272 31.700 -1.567 0.000 0.772 852 G N 1.081 109.798 108.800 -0.137 0.000 2.660 852 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.321 852 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.321 852 G C 0.818 175.602 174.900 -0.193 0.000 1.246 852 G CA 1.120 46.156 45.100 -0.106 0.000 1.000 852 G HN 0.368 nan 8.290 nan 0.000 0.550 853 H N 1.005 120.052 119.070 -0.038 0.000 2.546 853 H HA 0.179 4.735 4.556 -0.000 0.000 0.277 853 H C 2.639 177.940 175.328 -0.044 0.000 1.004 853 H CA 1.428 57.453 56.048 -0.038 0.000 1.231 853 H CB -0.088 29.659 29.762 -0.026 0.000 1.382 853 H HN 0.621 nan 8.280 nan 0.000 0.580 854 V N -1.279 118.651 119.914 0.027 0.000 3.026 854 V HA -0.213 3.907 4.120 -0.000 0.000 0.265 854 V C 1.501 177.577 176.094 -0.030 0.000 1.121 854 V CA 1.298 63.605 62.300 0.011 0.000 1.142 854 V CB -0.430 31.406 31.823 0.021 0.000 0.730 854 V HN 0.419 nan 8.190 nan 0.000 0.503 855 Q N 0.233 119.985 119.800 -0.080 0.000 2.508 855 Q HA -0.132 4.207 4.340 -0.000 0.000 0.214 855 Q C 2.016 177.984 176.000 -0.053 0.000 0.979 855 Q CA 1.285 57.033 55.803 -0.092 0.000 0.911 855 Q CB -0.188 28.466 28.738 -0.140 0.000 0.969 855 Q HN 0.761 nan 8.270 nan 0.000 0.504 856 Q N -0.375 119.411 119.800 -0.024 0.000 2.403 856 Q HA 0.118 4.458 4.340 -0.000 0.000 0.203 856 Q C 0.629 176.620 176.000 -0.015 0.000 0.932 856 Q CA 0.206 56.001 55.803 -0.013 0.000 0.945 856 Q CB 0.594 29.342 28.738 0.016 0.000 1.045 856 Q HN 0.386 nan 8.270 nan 0.000 0.511 857 G N -0.317 108.476 108.800 -0.011 0.000 2.894 857 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.247 857 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.247 857 G C 0.310 175.202 174.900 -0.014 0.000 1.442 857 G CA -0.459 44.635 45.100 -0.010 0.000 0.897 857 G HN 0.384 nan 8.290 nan 0.000 0.550 858 G N -1.004 107.784 108.800 -0.020 0.000 2.543 858 G HA2 0.525 4.485 3.960 -0.000 0.000 0.221 858 G HA3 0.525 4.485 3.960 -0.000 0.000 0.221 858 G C 0.647 175.520 174.900 -0.046 0.000 1.902 858 G CA -0.186 44.896 45.100 -0.031 0.000 0.838 858 G HN 0.924 nan 8.290 nan 0.000 0.650 859 L N 3.574 124.764 121.223 -0.055 0.000 2.360 859 L HA 0.264 4.604 4.340 -0.000 0.000 0.276 859 L C -1.675 175.160 176.870 -0.058 0.000 1.121 859 L CA -1.507 53.291 54.840 -0.069 0.000 0.845 859 L CB 0.952 42.957 42.059 -0.090 0.000 1.143 859 L HN 0.256 nan 8.230 nan 0.000 0.452 860 P HA 0.018 nan 4.420 nan 0.000 0.268 860 P C -0.416 176.859 177.300 -0.042 0.000 1.208 860 P CA -0.363 62.711 63.100 -0.042 0.000 0.777 860 P CB 0.734 32.409 31.700 -0.042 0.000 0.875 861 S N 1.557 117.242 115.700 -0.026 0.000 2.603 861 S HA 0.227 4.697 4.470 -0.000 0.000 0.268 861 S C -1.745 172.834 174.600 -0.036 0.000 1.317 861 S CA -1.031 57.154 58.200 -0.026 0.000 1.012 861 S CB 0.222 63.415 63.200 -0.011 0.000 0.926 861 S HN 0.243 nan 8.310 nan 0.000 0.539 862 P HA -0.076 nan 4.420 nan 0.000 0.217 862 P C 1.284 178.554 177.300 -0.050 0.000 1.148 862 P CA 1.013 64.083 63.100 -0.050 0.000 0.828 862 P CB -0.036 31.645 31.700 -0.033 0.000 0.783 863 I N -0.466 120.066 120.570 -0.063 0.000 2.090 863 I HA -0.242 3.928 4.170 -0.000 0.000 0.236 863 I C 2.004 178.069 176.117 -0.087 0.000 1.064 863 I CA 1.637 62.844 61.300 -0.154 0.000 1.324 863 I CB -0.721 37.071 38.000 -0.346 0.000 1.044 863 I HN -0.093 nan 8.210 nan 0.000 0.399 864 D N 0.474 120.862 120.400 -0.021 0.000 2.158 864 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 864 D C 2.315 178.630 176.300 0.026 0.000 0.995 864 D CA 1.264 55.297 54.000 0.055 0.000 0.846 864 D CB -0.099 40.738 40.800 0.060 0.000 0.941 864 D HN 0.228 nan 8.370 nan 0.000 0.456 865 R N -0.349 120.145 120.500 -0.010 0.000 2.055 865 R HA -0.080 4.260 4.340 -0.000 0.000 0.228 865 R C 2.519 178.819 176.300 -0.000 0.000 1.143 865 R CA 1.821 57.914 56.100 -0.011 0.000 0.945 865 R CB -0.512 29.763 30.300 -0.041 0.000 0.841 865 R HN 0.287 nan 8.270 nan 0.000 0.429 866 T N -0.834 113.698 114.554 -0.037 0.000 2.720 866 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 866 T C 1.954 176.688 174.700 0.056 0.000 1.037 866 T CA 1.367 63.446 62.100 -0.035 0.000 1.144 866 T CB -0.255 68.507 68.868 -0.176 0.000 0.864 866 T HN 0.059 nan 8.240 nan 0.000 0.444 867 R N 1.940 122.463 120.500 0.038 0.000 2.152 867 R HA 0.253 4.593 4.340 -0.000 0.000 0.232 867 R C 2.474 178.817 176.300 0.071 0.000 1.117 867 R CA 1.342 57.475 56.100 0.055 0.000 0.981 867 R CB -1.135 29.162 30.300 -0.004 0.000 0.870 867 R HN 0.561 nan 8.270 nan 0.000 0.451 868 A N -0.753 122.108 122.820 0.069 0.000 1.855 868 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 868 A C 2.266 179.888 177.584 0.063 0.000 1.191 868 A CA 2.084 54.159 52.037 0.064 0.000 0.613 868 A CB -1.431 17.605 19.000 0.059 0.000 0.829 868 A HN 0.542 nan 8.150 nan 0.000 0.442 869 T N -1.630 112.972 114.554 0.080 0.000 2.849 869 T HA -0.201 4.149 4.350 -0.000 0.000 0.270 869 T C 1.960 176.683 174.700 0.038 0.000 1.066 869 T CA 1.724 63.873 62.100 0.082 0.000 1.130 869 T CB -0.370 68.571 68.868 0.122 0.000 0.864 869 T HN 0.506 nan 8.240 nan 0.000 0.481 870 R N -0.597 119.932 120.500 0.049 0.000 2.062 870 R HA 0.028 4.368 4.340 -0.000 0.000 0.229 870 R C 2.458 178.745 176.300 -0.022 0.000 1.128 870 R CA 1.292 57.396 56.100 0.006 0.000 0.960 870 R CB -0.200 30.111 30.300 0.019 0.000 0.855 870 R HN 0.342 nan 8.270 nan 0.000 0.432 871 M N 0.372 119.972 119.600 -0.001 0.000 2.117 871 M HA -0.061 4.419 4.480 -0.000 0.000 0.262 871 M C 2.397 178.691 176.300 -0.010 0.000 1.065 871 M CA 1.614 56.905 55.300 -0.015 0.000 1.114 871 M CB -1.263 31.336 32.600 -0.002 0.000 1.361 871 M HN 0.231 nan 8.290 nan 0.000 0.408 872 A N 0.700 123.523 122.820 0.005 0.000 1.865 872 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 872 A C 2.327 179.906 177.584 -0.008 0.000 1.191 872 A CA 1.759 53.807 52.037 0.018 0.000 0.623 872 A CB -1.000 18.025 19.000 0.043 0.000 0.826 872 A HN 0.452 nan 8.150 nan 0.000 0.444 873 I N -0.746 119.756 120.570 -0.113 0.000 2.208 873 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 873 I C 2.418 178.446 176.117 -0.148 0.000 1.097 873 I CA 1.640 62.741 61.300 -0.333 0.000 1.363 873 I CB -0.247 37.396 38.000 -0.596 0.000 1.051 873 I HN 0.294 nan 8.210 nan 0.000 0.413 874 K N 0.490 120.863 120.400 -0.046 0.000 2.362 874 K HA -0.058 4.262 4.320 -0.000 0.000 0.200 874 K C 2.031 178.748 176.600 0.195 0.000 1.046 874 K CA 0.956 57.291 56.287 0.079 0.000 0.952 874 K CB 0.010 32.547 32.500 0.061 0.000 0.753 874 K HN 0.329 nan 8.250 nan 0.000 0.466 875 A N 0.388 123.289 122.820 0.135 0.000 1.903 875 A HA -0.036 4.284 4.320 -0.000 0.000 0.213 875 A C 2.171 179.898 177.584 0.238 0.000 1.185 875 A CA 0.621 52.773 52.037 0.191 0.000 0.628 875 A CB -0.264 18.795 19.000 0.099 0.000 0.830 875 A HN 0.040 nan 8.150 nan 0.000 0.446 876 V N 0.230 120.260 119.914 0.193 0.000 2.343 876 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 876 V C 2.809 179.039 176.094 0.227 0.000 1.051 876 V CA 2.021 64.447 62.300 0.210 0.000 1.036 876 V CB -1.322 30.723 31.823 0.371 0.000 0.654 876 V HN 0.601 nan 8.190 nan 0.000 0.451 877 G N -1.019 107.937 108.800 0.259 0.000 2.440 877 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.218 877 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.218 877 G C 1.564 176.584 174.900 0.200 0.000 1.154 877 G CA 1.055 46.295 45.100 0.232 0.000 0.767 877 G HN 0.517 nan 8.290 nan 0.000 0.552 878 F N 0.996 121.007 119.950 0.101 0.000 2.186 878 F HA 0.012 4.539 4.527 -0.000 0.000 0.299 878 F C 2.361 178.176 175.800 0.025 0.000 1.090 878 F CA 0.657 58.679 58.000 0.037 0.000 1.307 878 F CB 0.042 39.141 39.000 0.164 0.000 1.019 878 F HN -0.006 nan 8.300 nan 0.000 0.489 879 I N 1.828 122.492 120.570 0.157 0.000 2.127 879 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 879 I C 2.453 178.518 176.117 -0.086 0.000 1.075 879 I CA 2.023 63.336 61.300 0.021 0.000 1.334 879 I CB -1.327 36.701 38.000 0.046 0.000 1.040 879 I HN 0.298 nan 8.210 nan 0.000 0.405 880 K N 0.287 120.661 120.400 -0.044 0.000 2.057 880 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 880 K C 1.348 177.909 176.600 -0.066 0.000 1.050 880 K CA 1.642 57.914 56.287 -0.024 0.000 0.935 880 K CB -0.510 32.034 32.500 0.073 0.000 0.715 880 K HN 0.167 nan 8.250 nan 0.000 0.439 881 D N 1.075 121.412 120.400 -0.105 0.000 2.350 881 D HA -0.075 4.565 4.640 -0.000 0.000 0.216 881 D C 0.277 176.424 176.300 -0.255 0.000 0.968 881 D CA 0.871 54.778 54.000 -0.154 0.000 0.894 881 D CB -0.136 40.571 40.800 -0.155 0.000 0.909 881 D HN 0.345 nan 8.370 nan 0.000 0.520 882 N N -0.278 118.214 118.700 -0.347 0.000 2.282 882 N HA 0.050 4.790 4.740 -0.000 0.000 0.240 882 N C 1.287 176.684 175.510 -0.189 0.000 1.182 882 N CA -0.144 52.692 53.050 -0.357 0.000 0.874 882 N CB 0.712 38.801 38.487 -0.662 0.000 1.126 882 N HN -0.092 nan 8.380 nan 0.000 0.516 883 Q N 0.600 120.328 119.800 -0.120 0.000 2.049 883 Q HA 0.084 4.424 4.340 -0.000 0.000 0.198 883 Q C 1.920 177.897 176.000 -0.039 0.000 0.971 883 Q CA 1.004 56.773 55.803 -0.057 0.000 0.833 883 Q CB -0.436 28.285 28.738 -0.028 0.000 0.896 883 Q HN 0.418 nan 8.270 nan 0.000 0.434 884 A N 1.735 124.528 122.820 -0.044 0.000 2.007 884 A HA -0.284 4.036 4.320 -0.000 0.000 0.214 884 A C 2.124 179.698 177.584 -0.017 0.000 1.302 884 A CA 2.945 54.966 52.037 -0.027 0.000 0.770 884 A CB -1.536 17.444 19.000 -0.033 0.000 0.831 884 A HN 0.415 nan 8.150 nan 0.000 0.491 885 A N -0.014 122.790 122.820 -0.027 0.000 2.371 885 A HA -0.256 4.064 4.320 -0.000 0.000 0.222 885 A C 1.878 179.468 177.584 0.009 0.000 1.456 885 A CA 3.290 55.321 52.037 -0.011 0.000 0.945 885 A CB -1.535 17.451 19.000 -0.023 0.000 0.769 885 A HN 1.453 nan 8.150 nan 0.000 0.531 886 I N -0.994 119.581 120.570 0.009 0.000 2.597 886 I HA -0.140 4.030 4.170 -0.000 0.000 0.262 886 I C 2.178 178.318 176.117 0.038 0.000 1.194 886 I CA 1.379 62.699 61.300 0.032 0.000 1.437 886 I CB -1.704 36.321 38.000 0.041 0.000 1.096 886 I HN 0.353 nan 8.210 nan 0.000 0.451 887 A N 2.076 124.911 122.820 0.024 0.000 1.835 887 A HA -0.120 4.200 4.320 -0.000 0.000 0.213 887 A C 2.137 179.741 177.584 0.032 0.000 1.210 887 A CA 1.243 53.295 52.037 0.025 0.000 0.605 887 A CB -1.001 18.007 19.000 0.014 0.000 0.860 887 A HN 0.584 nan 8.150 nan 0.000 0.447 888 E N 0.463 120.683 120.200 0.033 0.000 2.501 888 E HA 0.126 4.476 4.350 -0.000 0.000 0.203 888 E C 1.015 177.665 176.600 0.084 0.000 1.072 888 E CA 1.395 57.822 56.400 0.046 0.000 0.885 888 E CB -0.380 29.346 29.700 0.043 0.000 0.813 888 E HN 0.451 nan 8.360 nan 0.000 0.556 889 A N 0.650 123.523 122.820 0.087 0.000 2.074 889 A HA 0.208 4.528 4.320 -0.000 0.000 0.200 889 A C 1.842 179.489 177.584 0.106 0.000 1.335 889 A CA 0.124 52.245 52.037 0.139 0.000 0.922 889 A CB -0.096 18.972 19.000 0.114 0.000 0.972 889 A HN 0.121 nan 8.150 nan 0.000 0.475 890 R N 0.883 121.424 120.500 0.067 0.000 2.500 890 R HA 0.143 4.483 4.340 -0.000 0.000 0.212 890 R C 0.992 177.307 176.300 0.026 0.000 1.330 890 R CA 0.403 56.533 56.100 0.050 0.000 1.262 890 R CB -0.702 29.625 30.300 0.046 0.000 0.998 890 R HN 0.540 nan 8.270 nan 0.000 0.484 891 A N 0.919 123.751 122.820 0.020 0.000 2.550 891 A HA 0.346 4.666 4.320 -0.000 0.000 0.238 891 A C 0.396 177.955 177.584 -0.042 0.000 1.783 891 A CA 0.394 52.411 52.037 -0.032 0.000 0.940 891 A CB -0.668 18.278 19.000 -0.090 0.000 1.597 891 A HN 0.481 nan 8.150 nan 0.000 0.713 892 A N -0.394 122.374 122.820 -0.088 0.000 2.511 892 A HA 0.410 4.730 4.320 -0.000 0.000 0.242 892 A C 0.519 178.080 177.584 -0.039 0.000 1.069 892 A CA 0.349 52.342 52.037 -0.074 0.000 0.763 892 A CB -0.343 18.593 19.000 -0.107 0.000 1.001 892 A HN 0.806 nan 8.150 nan 0.000 0.498 893 E N 2.114 122.298 120.200 -0.026 0.000 2.608 893 E HA -0.018 4.332 4.350 -0.000 0.000 0.213 893 E C -0.019 176.586 176.600 0.008 0.000 1.356 893 E CA 0.403 56.800 56.400 -0.006 0.000 1.201 893 E CB -0.546 29.138 29.700 -0.026 0.000 1.210 893 E HN 0.551 nan 8.360 nan 0.000 0.456 894 E N 0.664 120.875 120.200 0.019 0.000 2.622 894 E HA 0.107 4.457 4.350 -0.000 0.000 0.255 894 E C 0.600 177.276 176.600 0.126 0.000 1.313 894 E CA -0.536 55.893 56.400 0.048 0.000 1.011 894 E CB 0.103 29.809 29.700 0.011 0.000 1.173 894 E HN 0.161 nan 8.360 nan 0.000 0.601 895 N N 0.305 119.095 118.700 0.150 0.000 2.668 895 N HA -0.086 4.654 4.740 -0.000 0.000 0.201 895 N C 0.247 175.879 175.510 0.203 0.000 1.408 895 N CA 0.283 53.419 53.050 0.143 0.000 0.905 895 N CB -0.201 38.349 38.487 0.106 0.000 1.093 895 N HN 0.237 nan 8.380 nan 0.000 0.453 896 F N 0.111 120.058 119.950 -0.003 0.000 2.765 896 F HA 0.152 4.679 4.527 -0.000 0.000 0.302 896 F C 0.800 176.601 175.800 0.003 0.000 1.111 896 F CA -0.371 57.628 58.000 -0.001 0.000 1.359 896 F CB 0.036 39.035 39.000 -0.002 0.000 1.097 896 F HN -0.099 nan 8.300 nan 0.000 0.577 897 N N 0.484 119.265 118.700 0.134 0.000 2.417 897 N HA 0.625 5.365 4.740 -0.000 0.000 0.274 897 N C -0.537 174.996 175.510 0.037 0.000 0.987 897 N CA -0.007 53.089 53.050 0.076 0.000 0.912 897 N CB 1.036 39.567 38.487 0.074 0.000 1.177 897 N HN 0.074 nan 8.380 nan 0.000 0.490 898 A N 2.325 125.156 122.820 0.018 0.000 3.886 898 A HA 0.544 4.864 4.320 -0.000 0.000 0.217 898 A C -1.333 176.256 177.584 0.008 0.000 0.876 898 A CA -0.460 51.580 52.037 0.005 0.000 0.726 898 A CB 0.560 19.552 19.000 -0.014 0.000 1.479 898 A HN 0.567 nan 8.150 nan 0.000 0.792 899 D N 1.773 122.175 120.400 0.004 0.000 2.795 899 D HA 0.265 4.905 4.640 -0.000 0.000 0.335 899 D C -1.399 174.908 176.300 0.012 0.000 1.262 899 D CA -0.139 53.865 54.000 0.007 0.000 0.885 899 D CB 0.260 41.063 40.800 0.006 0.000 1.047 899 D HN 0.483 nan 8.370 nan 0.000 0.500 900 D N -0.390 120.016 120.400 0.010 0.000 2.193 900 D HA 0.141 4.781 4.640 -0.000 0.000 0.244 900 D C 1.013 177.328 176.300 0.024 0.000 1.064 900 D CA -0.565 53.443 54.000 0.012 0.000 0.845 900 D CB 2.215 43.014 40.800 -0.002 0.000 1.148 900 D HN -0.115 nan 8.370 nan 0.000 0.464 901 K N 0.688 121.108 120.400 0.034 0.000 2.148 901 K HA -0.261 4.059 4.320 -0.000 0.000 0.213 901 K C 1.941 178.567 176.600 0.044 0.000 1.050 901 K CA 2.545 58.861 56.287 0.047 0.000 0.932 901 K CB -0.571 31.961 32.500 0.053 0.000 0.717 901 K HN 0.672 nan 8.250 nan 0.000 0.462 902 T N 0.219 114.790 114.554 0.029 0.000 2.803 902 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 902 T C 1.929 176.644 174.700 0.024 0.000 1.052 902 T CA 1.579 63.693 62.100 0.022 0.000 1.136 902 T CB -0.461 68.413 68.868 0.009 0.000 0.864 902 T HN 0.316 nan 8.240 nan 0.000 0.467 903 I N 1.273 121.860 120.570 0.027 0.000 3.081 903 I HA 0.241 4.411 4.170 -0.000 0.000 0.274 903 I C 2.529 178.674 176.117 0.047 0.000 1.178 903 I CA 0.618 61.938 61.300 0.033 0.000 1.460 903 I CB -0.997 37.022 38.000 0.031 0.000 1.137 903 I HN 0.257 nan 8.210 nan 0.000 0.443 904 S N 1.032 116.759 115.700 0.045 0.000 2.368 904 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 904 S C 1.359 176.009 174.600 0.083 0.000 1.029 904 S CA 1.286 59.515 58.200 0.048 0.000 0.988 904 S CB -0.976 62.246 63.200 0.037 0.000 0.838 904 S HN 0.437 nan 8.310 nan 0.000 0.462 905 D N 1.862 122.320 120.400 0.096 0.000 2.387 905 D HA 0.055 4.694 4.640 -0.000 0.000 0.257 905 D C 1.146 177.582 176.300 0.226 0.000 1.198 905 D CA 1.095 55.184 54.000 0.149 0.000 0.945 905 D CB -0.347 40.527 40.800 0.124 0.000 0.907 905 D HN 0.790 nan 8.370 nan 0.000 0.518 906 T N -3.708 110.965 114.554 0.197 0.000 3.044 906 T HA 0.449 4.799 4.350 -0.000 0.000 0.260 906 T C 0.751 175.678 174.700 0.379 0.000 1.019 906 T CA -0.505 61.729 62.100 0.225 0.000 0.921 906 T CB 0.658 69.556 68.868 0.050 0.000 1.053 906 T HN 0.054 nan 8.240 nan 0.000 0.533 907 A N 1.075 124.057 122.820 0.270 0.000 2.664 907 A HA 0.903 5.222 4.320 -0.000 0.000 0.338 907 A C 0.164 177.816 177.584 0.114 0.000 1.280 907 A CA -0.595 51.546 52.037 0.173 0.000 0.809 907 A CB -0.055 18.984 19.000 0.065 0.000 1.114 907 A HN 0.697 nan 8.150 nan 0.000 0.479 908 A N 0.940 123.796 122.820 0.060 0.000 2.483 908 A HA 0.855 5.175 4.320 -0.000 0.000 0.286 908 A C -0.969 176.545 177.584 -0.117 0.000 1.207 908 A CA -0.560 51.449 52.037 -0.047 0.000 0.764 908 A CB 1.184 20.140 19.000 -0.072 0.000 1.341 908 A HN 0.855 nan 8.150 nan 0.000 0.428 909 V N 1.057 120.931 119.914 -0.067 0.000 2.384 909 V HA 0.355 4.475 4.120 -0.000 0.000 0.287 909 V C -0.314 175.675 176.094 -0.175 0.000 1.020 909 V CA -0.542 61.724 62.300 -0.056 0.000 0.850 909 V CB 1.397 33.267 31.823 0.077 0.000 0.987 909 V HN 0.605 nan 8.190 nan 0.000 0.436 910 V N 5.102 124.870 119.914 -0.244 0.000 2.415 910 V HA 0.511 4.631 4.120 -0.000 0.000 0.267 910 V C 0.998 176.930 176.094 -0.270 0.000 1.042 910 V CA 0.283 62.333 62.300 -0.417 0.000 1.000 910 V CB 0.214 31.842 31.823 -0.326 0.000 1.015 910 V HN 0.944 nan 8.190 nan 0.000 0.478 911 G N 3.487 112.118 108.800 -0.281 0.000 2.753 911 G HA2 0.731 4.691 3.960 -0.000 0.000 0.285 911 G HA3 0.731 4.691 3.960 -0.000 0.000 0.285 911 G C -1.096 173.726 174.900 -0.130 0.000 1.344 911 G CA -0.735 44.276 45.100 -0.149 0.000 1.050 911 G HN 0.583 nan 8.290 nan 0.000 0.532 912 V N -0.143 119.736 119.914 -0.058 0.000 2.817 912 V HA 0.415 4.535 4.120 -0.000 0.000 0.303 912 V C -0.880 175.216 176.094 0.003 0.000 1.151 912 V CA -0.828 61.466 62.300 -0.010 0.000 0.929 912 V CB 2.196 34.028 31.823 0.014 0.000 1.030 912 V HN 0.686 nan 8.190 nan 0.000 0.427 913 K N 3.156 123.588 120.400 0.053 0.000 2.530 913 K HA 0.552 4.872 4.320 -0.000 0.000 0.230 913 K C 0.457 177.042 176.600 -0.025 0.000 1.002 913 K CA -0.045 56.236 56.287 -0.010 0.000 1.014 913 K CB 1.485 33.972 32.500 -0.020 0.000 1.286 913 K HN 1.161 nan 8.250 nan 0.000 0.480 914 G N 2.370 111.163 108.800 -0.011 0.000 2.392 914 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.256 914 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.256 914 G C 0.249 175.170 174.900 0.034 0.000 0.920 914 G CA 0.727 45.828 45.100 0.001 0.000 1.316 914 G HN 0.711 nan 8.290 nan 0.000 0.416 915 S N -0.544 115.183 115.700 0.045 0.000 3.473 915 S HA -0.329 4.141 4.470 -0.000 0.000 0.339 915 S C 1.405 176.086 174.600 0.135 0.000 1.148 915 S CA 2.322 60.561 58.200 0.064 0.000 0.969 915 S CB -1.037 62.205 63.200 0.070 0.000 0.936 915 S HN 1.433 nan 8.310 nan 0.000 0.530 916 H N 0.241 119.304 119.070 -0.011 0.000 2.276 916 H HA 0.592 5.148 4.556 -0.000 0.000 0.324 916 H C 0.798 176.114 175.328 -0.019 0.000 1.093 916 H CA 1.498 57.542 56.048 -0.006 0.000 1.539 916 H CB 0.181 29.941 29.762 -0.003 0.000 1.479 916 H HN 0.749 nan 8.280 nan 0.000 0.582 917 V N 0.257 120.193 119.914 0.038 0.000 3.101 917 V HA -0.093 4.027 4.120 -0.000 0.000 0.448 917 V C -0.981 175.016 176.094 -0.161 0.000 0.682 917 V CA 0.188 62.411 62.300 -0.129 0.000 1.983 917 V CB -1.650 30.085 31.823 -0.146 0.000 2.462 917 V HN 0.280 nan 8.190 nan 0.000 0.492 918 V N 5.101 124.890 119.914 -0.209 0.000 3.181 918 V HA 0.845 4.965 4.120 -0.000 0.000 0.314 918 V C -0.972 174.930 176.094 -0.320 0.000 1.173 918 V CA -1.109 61.146 62.300 -0.074 0.000 1.052 918 V CB 2.564 34.408 31.823 0.035 0.000 1.123 918 V HN 0.700 nan 8.190 nan 0.000 0.454 919 Y N 0.255 120.554 120.300 -0.002 0.000 2.396 919 Y HA 0.600 5.150 4.550 -0.000 0.000 0.332 919 Y C -0.412 175.489 175.900 0.001 0.000 1.034 919 Y CA -0.794 57.275 58.100 -0.053 0.000 1.057 919 Y CB 1.958 40.391 38.460 -0.045 0.000 1.220 919 Y HN 0.625 nan 8.280 nan 0.000 0.440 920 N N 0.522 119.295 118.700 0.122 0.000 2.310 920 N HA 0.409 5.149 4.740 -0.000 0.000 0.292 920 N C -1.121 174.457 175.510 0.113 0.000 1.049 920 N CA -0.951 52.175 53.050 0.126 0.000 0.849 920 N CB 1.737 40.293 38.487 0.115 0.000 1.532 920 N HN 0.527 nan 8.380 nan 0.000 0.479 921 S N 0.859 116.634 115.700 0.126 0.000 2.552 921 S HA -0.030 4.440 4.470 -0.000 0.000 0.289 921 S C 1.351 176.001 174.600 0.083 0.000 1.304 921 S CA -0.535 57.729 58.200 0.106 0.000 1.063 921 S CB 0.317 63.580 63.200 0.106 0.000 0.848 921 S HN 0.601 nan 8.310 nan 0.000 0.499 922 I N 2.266 122.855 120.570 0.031 0.000 2.335 922 I HA -0.131 4.039 4.170 -0.000 0.000 0.251 922 I C 2.357 178.482 176.117 0.013 0.000 1.129 922 I CA 1.351 62.628 61.300 -0.038 0.000 1.402 922 I CB -0.518 37.390 38.000 -0.154 0.000 1.069 922 I HN 0.685 nan 8.210 nan 0.000 0.424 923 R N 0.309 120.819 120.500 0.016 0.000 2.080 923 R HA -0.218 4.122 4.340 -0.000 0.000 0.236 923 R C 2.261 178.579 176.300 0.030 0.000 1.137 923 R CA 1.844 57.954 56.100 0.017 0.000 0.943 923 R CB -1.065 29.237 30.300 0.003 0.000 0.846 923 R HN 0.516 nan 8.270 nan 0.000 0.431 924 Q N 0.774 120.624 119.800 0.083 0.000 2.002 924 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 924 Q C 1.993 178.088 176.000 0.158 0.000 0.988 924 Q CA 1.639 57.530 55.803 0.146 0.000 0.843 924 Q CB -0.534 28.313 28.738 0.181 0.000 0.908 924 Q HN 0.135 nan 8.270 nan 0.000 0.420 925 L N -0.512 120.825 121.223 0.191 0.000 1.970 925 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 925 L C 2.365 179.403 176.870 0.280 0.000 1.071 925 L CA 2.037 57.038 54.840 0.268 0.000 0.751 925 L CB -1.570 40.733 42.059 0.406 0.000 0.889 925 L HN 0.376 nan 8.230 nan 0.000 0.432 926 Y N 0.350 120.722 120.300 0.120 0.000 2.207 926 Y HA -0.260 4.290 4.550 -0.000 0.000 0.287 926 Y C 2.280 178.159 175.900 -0.035 0.000 1.156 926 Y CA 1.805 59.925 58.100 0.033 0.000 1.182 926 Y CB 0.057 38.414 38.460 -0.171 0.000 0.979 926 Y HN 0.310 nan 8.280 nan 0.000 0.521 927 D N -2.241 118.176 120.400 0.028 0.000 2.271 927 D HA -0.065 4.575 4.640 -0.000 0.000 0.206 927 D C 0.856 176.934 176.300 -0.371 0.000 0.967 927 D CA 1.230 55.071 54.000 -0.266 0.000 0.867 927 D CB 0.069 40.518 40.800 -0.584 0.000 0.960 927 D HN 0.496 nan 8.370 nan 0.000 0.509 928 Y N -0.046 120.316 120.300 0.103 0.000 2.441 928 Y HA 0.255 4.805 4.550 -0.000 0.000 0.266 928 Y C 1.380 177.313 175.900 0.056 0.000 1.093 928 Y CA -0.216 57.926 58.100 0.070 0.000 1.246 928 Y CB 1.089 39.589 38.460 0.067 0.000 1.262 928 Y HN -0.193 nan 8.280 nan 0.000 0.518 929 E N 0.305 120.623 120.200 0.196 0.000 2.583 929 E HA 0.186 4.536 4.350 -0.000 0.000 0.213 929 E C -0.280 176.368 176.600 0.081 0.000 0.989 929 E CA 0.095 56.572 56.400 0.129 0.000 0.991 929 E CB 0.990 30.769 29.700 0.132 0.000 1.040 929 E HN 0.043 nan 8.360 nan 0.000 0.481 930 T N 0.798 115.392 114.554 0.066 0.000 2.912 930 T HA 0.267 4.617 4.350 -0.000 0.000 0.288 930 T C -0.159 174.530 174.700 -0.020 0.000 1.030 930 T CA -0.601 61.516 62.100 0.029 0.000 1.020 930 T CB 1.858 70.758 68.868 0.055 0.000 1.056 930 T HN -0.082 nan 8.240 nan 0.000 0.480 931 E N 1.884 122.059 120.200 -0.042 0.000 3.269 931 E HA 0.253 4.603 4.350 -0.000 0.000 0.221 931 E C 1.188 177.730 176.600 -0.097 0.000 1.113 931 E CA -0.324 56.037 56.400 -0.065 0.000 1.385 931 E CB -0.397 29.259 29.700 -0.074 0.000 1.345 931 E HN 0.377 nan 8.360 nan 0.000 0.435 932 V N 0.867 120.744 119.914 -0.062 0.000 2.353 932 V HA -0.362 3.758 4.120 -0.000 0.000 0.260 932 V C 1.930 178.003 176.094 -0.035 0.000 1.091 932 V CA 2.974 65.286 62.300 0.019 0.000 1.088 932 V CB -0.604 31.143 31.823 -0.127 0.000 0.672 932 V HN 0.610 nan 8.190 nan 0.000 0.455 933 S N -0.844 114.828 115.700 -0.046 0.000 2.402 933 S HA -0.174 4.296 4.470 -0.000 0.000 0.233 933 S C 1.496 176.045 174.600 -0.084 0.000 1.030 933 S CA 2.220 60.398 58.200 -0.038 0.000 1.003 933 S CB -0.405 62.779 63.200 -0.027 0.000 0.813 933 S HN 0.763 nan 8.310 nan 0.000 0.477 934 M N 0.427 119.936 119.600 -0.151 0.000 2.589 934 M HA 0.377 4.857 4.480 -0.000 0.000 0.344 934 M C -0.245 175.832 176.300 -0.371 0.000 1.168 934 M CA -0.206 54.978 55.300 -0.193 0.000 0.956 934 M CB 0.480 32.999 32.600 -0.135 0.000 1.370 934 M HN 0.082 nan 8.290 nan 0.000 0.518 935 R N 2.053 122.161 120.500 -0.653 0.000 3.251 935 R HA -0.169 4.171 4.340 -0.000 0.000 0.249 935 R C -0.623 174.926 176.300 -1.252 0.000 0.949 935 R CA 0.958 56.121 56.100 -1.562 0.000 0.645 935 R CB -1.937 27.788 30.300 -0.958 0.000 1.065 935 R HN 0.717 nan 8.270 nan 0.000 0.452 936 M N -3.387 115.751 119.600 -0.771 0.000 2.822 936 M HA 0.450 4.930 4.480 -0.000 0.000 0.275 936 M C -2.939 173.267 176.300 -0.157 0.000 1.084 936 M CA -1.965 53.133 55.300 -0.337 0.000 0.814 936 M CB 2.230 34.706 32.600 -0.207 0.000 1.693 936 M HN -0.255 nan 8.290 nan 0.000 0.531 937 P HA 0.003 nan 4.420 nan 0.000 0.266 937 P C -0.687 176.581 177.300 -0.053 0.000 1.186 937 P CA 0.405 63.474 63.100 -0.051 0.000 0.767 937 P CB 0.815 32.499 31.700 -0.026 0.000 0.820 938 K N 1.347 121.727 120.400 -0.032 0.000 2.155 938 K HA 0.032 4.352 4.320 -0.000 0.000 0.203 938 K C 0.225 176.793 176.600 -0.053 0.000 1.052 938 K CA 0.798 57.066 56.287 -0.032 0.000 0.948 938 K CB 0.176 32.676 32.500 -0.001 0.000 0.728 938 K HN 0.282 nan 8.250 nan 0.000 0.448 939 V N 3.223 123.101 119.914 -0.060 0.000 2.384 939 V HA 0.267 4.387 4.120 -0.000 0.000 0.287 939 V C -0.129 175.862 176.094 -0.171 0.000 1.020 939 V CA -0.930 61.313 62.300 -0.094 0.000 0.850 939 V CB 1.343 33.132 31.823 -0.056 0.000 0.987 939 V HN 0.122 nan 8.190 nan 0.000 0.436 940 I N 2.711 123.093 120.570 -0.312 0.000 2.395 940 I HA 0.428 4.598 4.170 -0.000 0.000 0.289 940 I C 1.018 176.727 176.117 -0.680 0.000 1.023 940 I CA -0.244 60.626 61.300 -0.716 0.000 1.350 940 I CB 0.690 38.162 38.000 -0.880 0.000 1.409 940 I HN 0.833 nan 8.210 nan 0.000 0.507 941 H N 4.552 123.141 119.070 -0.802 0.000 2.507 941 H HA 0.167 4.722 4.556 -0.000 0.000 0.294 941 H C -0.291 175.003 175.328 -0.057 0.000 1.064 941 H CA -0.615 55.252 56.048 -0.301 0.000 1.138 941 H CB -0.223 29.510 29.762 -0.048 0.000 1.515 941 H HN 0.996 nan 8.280 nan 0.000 0.547 942 W N -0.356 120.920 121.300 -0.040 0.000 2.036 942 W HA 0.372 5.032 4.660 -0.000 0.000 0.298 942 W C 1.138 177.659 176.519 0.004 0.000 0.885 942 W CA -0.755 56.619 57.345 0.048 0.000 1.488 942 W CB -0.069 29.476 29.460 0.141 0.000 1.079 942 W HN -0.061 nan 8.180 nan 0.000 0.506 943 Q N 1.986 121.702 119.800 -0.140 0.000 2.368 943 Q HA -0.037 4.303 4.340 -0.000 0.000 0.210 943 Q C 2.051 178.051 176.000 -0.001 0.000 0.982 943 Q CA 2.267 58.042 55.803 -0.047 0.000 0.884 943 Q CB -0.171 28.497 28.738 -0.118 0.000 0.933 943 Q HN 0.437 nan 8.270 nan 0.000 0.460 944 A N -1.015 121.816 122.820 0.019 0.000 1.874 944 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 944 A C 2.218 179.787 177.584 -0.025 0.000 1.189 944 A CA 1.665 53.704 52.037 0.004 0.000 0.615 944 A CB -1.051 17.967 19.000 0.030 0.000 0.830 944 A HN 0.502 nan 8.150 nan 0.000 0.443 945 T N -1.615 112.940 114.554 0.001 0.000 3.007 945 T HA -0.110 4.240 4.350 -0.000 0.000 0.270 945 T C 1.876 176.479 174.700 -0.163 0.000 1.107 945 T CA 1.058 63.102 62.100 -0.093 0.000 1.118 945 T CB -0.403 68.389 68.868 -0.126 0.000 0.889 945 T HN 0.334 nan 8.240 nan 0.000 0.506 946 R N 0.644 121.085 120.500 -0.098 0.000 2.091 946 R HA 0.062 4.402 4.340 -0.000 0.000 0.238 946 R C 2.426 178.621 176.300 -0.174 0.000 1.136 946 R CA 0.988 57.020 56.100 -0.114 0.000 0.959 946 R CB -1.274 29.008 30.300 -0.030 0.000 0.856 946 R HN 0.435 nan 8.270 nan 0.000 0.437 947 L N 0.490 121.595 121.223 -0.196 0.000 2.056 947 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 947 L C 2.141 178.675 176.870 -0.560 0.000 1.078 947 L CA 0.981 55.612 54.840 -0.349 0.000 0.749 947 L CB -0.219 41.670 42.059 -0.283 0.000 0.901 947 L HN 0.061 nan 8.230 nan 0.000 0.433 948 I N 0.405 120.758 120.570 -0.361 0.000 2.151 948 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 948 I C 2.915 178.867 176.117 -0.275 0.000 1.080 948 I CA 1.672 62.795 61.300 -0.294 0.000 1.339 948 I CB -1.828 36.072 38.000 -0.166 0.000 1.039 948 I HN 0.245 nan 8.210 nan 0.000 0.409 949 A N 0.745 123.420 122.820 -0.242 0.000 1.873 949 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 949 A C 2.094 179.587 177.584 -0.152 0.000 1.193 949 A CA 2.259 54.181 52.037 -0.191 0.000 0.629 949 A CB -0.808 18.071 19.000 -0.202 0.000 0.826 949 A HN 0.398 nan 8.150 nan 0.000 0.447 950 D N -0.997 119.290 120.400 -0.189 0.000 2.104 950 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 950 D C 1.723 178.003 176.300 -0.034 0.000 0.994 950 D CA 1.738 55.667 54.000 -0.118 0.000 0.830 950 D CB -0.610 40.107 40.800 -0.139 0.000 0.959 950 D HN 0.775 nan 8.370 nan 0.000 0.452 951 H N 0.203 119.149 119.070 -0.207 0.000 2.319 951 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 951 H C 2.340 177.555 175.328 -0.189 0.000 1.092 951 H CA 0.340 56.136 56.048 -0.421 0.000 1.302 951 H CB -0.051 29.192 29.762 -0.865 0.000 1.373 951 H HN 0.078 nan 8.280 nan 0.000 0.497 952 L N 0.276 121.490 121.223 -0.016 0.000 2.353 952 L HA -0.114 4.226 4.340 -0.000 0.000 0.220 952 L C 2.032 179.018 176.870 0.194 0.000 1.133 952 L CA 0.433 55.270 54.840 -0.006 0.000 0.798 952 L CB 0.132 42.131 42.059 -0.101 0.000 0.922 952 L HN 0.195 nan 8.230 nan 0.000 0.445 953 V N -1.220 118.867 119.914 0.288 0.000 3.477 953 V HA 0.325 4.445 4.120 -0.000 0.000 0.297 953 V C 1.216 177.563 176.094 0.422 0.000 1.433 953 V CA 0.753 63.286 62.300 0.389 0.000 1.052 953 V CB 0.509 32.437 31.823 0.174 0.000 0.895 953 V HN 0.551 nan 8.190 nan 0.000 0.438 954 G N 1.512 110.478 108.800 0.277 0.000 2.137 954 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.237 954 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.237 954 G C 0.334 175.092 174.900 -0.238 0.000 1.002 954 G CA 0.539 45.608 45.100 -0.051 0.000 0.702 954 G HN 0.644 nan 8.290 nan 0.000 0.515 955 R N -0.044 120.337 120.500 -0.199 0.000 2.457 955 R HA 0.551 4.891 4.340 -0.000 0.000 0.284 955 R C 1.093 177.243 176.300 -0.249 0.000 1.024 955 R CA -0.688 55.152 56.100 -0.434 0.000 1.025 955 R CB 0.514 30.700 30.300 -0.190 0.000 1.063 955 R HN 0.072 nan 8.270 nan 0.000 0.493 956 K N 2.385 122.609 120.400 -0.293 0.000 3.134 956 K HA 0.088 4.408 4.320 -0.000 0.000 0.164 956 K C 0.861 177.426 176.600 -0.059 0.000 1.133 956 K CA -0.002 56.204 56.287 -0.134 0.000 1.402 956 K CB -0.428 31.986 32.500 -0.142 0.000 1.945 956 K HN 0.535 nan 8.250 nan 0.000 0.482 957 R N 0.000 120.475 120.500 -0.042 0.000 2.786 957 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 957 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 957 R CB 0.000 30.303 30.300 0.006 0.000 0.687 957 R HN 0.000 nan 8.270 nan 0.000 0.535