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 2bvl_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSLVNRKQLE KMANVRFRTQ EDEYVAILDA LEEYHNMSEN TVVEKYLKLK DATA SEQUENCE DINSLTDICI DTYKKSGRNK ALKKFKEYLV TEVLELKNNN LTPVEKNLHF DATA SEQUENCE VWIGGQINDT AINYINQWKD VNSDYNVNVF YDSNAFLINT LKKTVVESAI DATA SEQUENCE NDTLESFREN LNDPRFDYNK FFRKRMEIIY DKQKNFINYY KAQREENPEL DATA SEQUENCE IIDDIVKTYL SNEYSKEIDE LNTYIEESLN KITQNSGNDV RNFGEFKNGE DATA SEQUENCE SFNLYEQELV ERWNLAAASD ILRISALKEI GGMYLDVDML PGIQPDLFES DATA SEQUENCE IEKPSSVTVD FWEMTKLEAI MKYKEYIPEY TSEHFDMLDE EVQSSFESVL DATA SEQUENCE ASKSDKSEIF SSLGDMEASP LEVKIAFNSK GIINQGLISV KDSYCSNLIV DATA SEQUENCE KQIENRYKIL NNSLNPAISE DNDFNTTTNT FIDSIMAEAN ADNGRFMMEL DATA SEQUENCE GKYLRVGFFP DVKTTINLSG PEAYAAAYQD LLMFKEGSMN IHLIEADLRN DATA SEQUENCE FEISKTNISQ STEQEMASLW SFDDARAKAQ FEEYKRNYFE GAL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.319 176.300 0.032 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 S N 2.496 118.220 115.700 0.040 0.000 2.558 2 S HA 0.340 4.811 4.470 0.003 0.000 0.291 2 S C 0.005 174.656 174.600 0.084 0.000 1.306 2 S CA 0.039 58.290 58.200 0.086 0.000 1.056 2 S CB 0.361 63.597 63.200 0.060 0.000 0.836 2 S HN 0.227 nan 8.310 nan 0.000 0.504 3 L N 4.726 126.056 121.223 0.179 0.000 2.416 3 L HA 0.472 4.814 4.340 0.003 0.000 0.262 3 L C 0.180 177.192 176.870 0.237 0.000 1.093 3 L CA -0.454 54.471 54.840 0.142 0.000 0.801 3 L CB 1.189 43.331 42.059 0.138 0.000 1.191 3 L HN 0.653 nan 8.230 nan 0.000 0.459 4 V N 1.069 121.083 119.914 0.166 0.000 2.928 4 V HA 0.090 4.211 4.120 0.003 0.000 0.307 4 V C 0.292 176.524 176.094 0.229 0.000 1.105 4 V CA -0.830 61.554 62.300 0.141 0.000 1.223 4 V CB -0.385 31.527 31.823 0.149 0.000 0.930 4 V HN 1.001 nan 8.190 nan 0.000 0.499 5 N N 3.198 121.906 118.700 0.015 0.000 2.405 5 N HA 0.271 5.013 4.740 0.003 0.000 0.269 5 N C 0.918 176.448 175.510 0.033 0.000 1.249 5 N CA -0.279 52.736 53.050 -0.058 0.000 0.974 5 N CB 0.396 38.753 38.487 -0.216 0.000 1.204 5 N HN 0.715 nan 8.380 nan 0.000 0.565 6 R N -0.321 120.196 120.500 0.028 0.000 2.094 6 R HA -0.129 4.213 4.340 0.003 0.000 0.239 6 R C 1.307 177.578 176.300 -0.047 0.000 1.137 6 R CA 1.465 57.552 56.100 -0.022 0.000 0.943 6 R CB -0.139 30.147 30.300 -0.023 0.000 0.850 6 R HN 0.486 nan 8.270 nan 0.000 0.433 7 K N 0.654 121.032 120.400 -0.037 0.000 2.063 7 K HA -0.189 4.133 4.320 0.003 0.000 0.208 7 K C 2.171 178.759 176.600 -0.020 0.000 1.048 7 K CA 1.676 57.944 56.287 -0.031 0.000 0.928 7 K CB -0.261 32.221 32.500 -0.030 0.000 0.713 7 K HN 0.435 nan 8.250 nan 0.000 0.442 8 Q N 0.351 120.141 119.800 -0.017 0.000 2.096 8 Q HA -0.160 4.182 4.340 0.003 0.000 0.204 8 Q C 2.092 178.101 176.000 0.015 0.000 0.982 8 Q CA 1.114 56.919 55.803 0.002 0.000 0.850 8 Q CB -0.177 28.564 28.738 0.005 0.000 0.901 8 Q HN 0.109 nan 8.270 nan 0.000 0.422 9 L N 1.084 122.298 121.223 -0.016 0.000 2.141 9 L HA -0.133 4.209 4.340 0.003 0.000 0.209 9 L C 1.704 178.572 176.870 -0.004 0.000 1.094 9 L CA 1.726 56.528 54.840 -0.063 0.000 0.763 9 L CB -0.161 41.731 42.059 -0.277 0.000 0.908 9 L HN 0.129 nan 8.230 nan 0.000 0.437 10 E N -0.777 119.426 120.200 0.004 0.000 2.106 10 E HA -0.180 4.172 4.350 0.003 0.000 0.192 10 E C 1.991 178.620 176.600 0.049 0.000 0.984 10 E CA 0.837 57.277 56.400 0.066 0.000 0.806 10 E CB 0.004 29.714 29.700 0.018 0.000 0.750 10 E HN 0.449 nan 8.360 nan 0.000 0.458 11 K N 0.548 120.960 120.400 0.020 0.000 2.002 11 K HA -0.121 4.201 4.320 0.003 0.000 0.209 11 K C 2.205 178.813 176.600 0.014 0.000 1.048 11 K CA 1.153 57.446 56.287 0.011 0.000 0.930 11 K CB -0.316 32.188 32.500 0.008 0.000 0.714 11 K HN 0.178 nan 8.250 nan 0.000 0.438 12 M N 0.499 120.118 119.600 0.031 0.000 2.073 12 M HA -0.196 4.285 4.480 0.003 0.000 0.258 12 M C 2.031 178.334 176.300 0.005 0.000 1.070 12 M CA 2.097 57.419 55.300 0.037 0.000 1.103 12 M CB -0.335 32.310 32.600 0.075 0.000 1.321 12 M HN 0.155 nan 8.290 nan 0.000 0.405 13 A N -0.520 122.299 122.820 -0.001 0.000 2.337 13 A HA 0.097 4.419 4.320 0.003 0.000 0.227 13 A C 0.351 177.864 177.584 -0.117 0.000 1.259 13 A CA -0.264 51.729 52.037 -0.073 0.000 0.870 13 A CB -0.852 18.087 19.000 -0.101 0.000 0.927 13 A HN 0.469 nan 8.150 nan 0.000 0.497 14 N N 0.286 118.954 118.700 -0.053 0.000 2.458 14 N HA 0.242 4.984 4.740 0.003 0.000 0.258 14 N C -0.637 174.813 175.510 -0.100 0.000 1.219 14 N CA 0.751 53.763 53.050 -0.063 0.000 0.902 14 N CB 0.913 39.373 38.487 -0.044 0.000 1.076 14 N HN 0.229 nan 8.380 nan 0.000 0.455 15 V N 3.987 123.831 119.914 -0.116 0.000 2.567 15 V HA 0.421 4.542 4.120 0.003 0.000 0.298 15 V C -0.333 175.673 176.094 -0.145 0.000 1.047 15 V CA -0.948 61.279 62.300 -0.123 0.000 0.880 15 V CB 1.141 32.894 31.823 -0.116 0.000 1.009 15 V HN 0.775 nan 8.190 nan 0.000 0.429 16 R N 4.751 125.114 120.500 -0.227 0.000 2.585 16 R HA 0.288 4.629 4.340 0.003 0.000 0.275 16 R C 0.151 176.248 176.300 -0.338 0.000 1.018 16 R CA 0.917 56.740 56.100 -0.461 0.000 1.072 16 R CB 0.011 29.866 30.300 -0.741 0.000 0.953 16 R HN 0.894 nan 8.270 nan 0.000 0.419 17 F N -0.912 119.025 119.950 -0.022 0.000 2.871 17 F HA -0.292 4.237 4.527 0.003 0.000 0.326 17 F C 0.431 176.212 175.800 -0.032 0.000 0.675 17 F CA 1.024 59.010 58.000 -0.022 0.000 1.188 17 F CB -1.580 37.408 39.000 -0.019 0.000 1.567 17 F HN 0.601 nan 8.300 nan 0.000 0.325 18 R N 1.627 122.171 120.500 0.073 0.000 2.338 18 R HA 0.519 4.860 4.340 0.003 0.000 0.317 18 R C 0.251 176.552 176.300 0.002 0.000 0.968 18 R CA 0.304 56.411 56.100 0.010 0.000 0.849 18 R CB 1.177 31.443 30.300 -0.057 0.000 1.128 18 R HN 0.184 nan 8.270 nan 0.000 0.448 19 T N 1.359 115.914 114.554 0.003 0.000 2.904 19 T HA 0.137 4.488 4.350 0.003 0.000 0.290 19 T C 0.228 174.943 174.700 0.025 0.000 1.018 19 T CA -0.760 61.352 62.100 0.020 0.000 1.075 19 T CB 1.077 69.956 68.868 0.019 0.000 0.986 19 T HN 0.517 nan 8.240 nan 0.000 0.523 20 Q N 1.979 121.830 119.800 0.084 0.000 2.262 20 Q HA 0.132 4.473 4.340 0.003 0.000 0.272 20 Q C -0.171 175.888 176.000 0.099 0.000 1.076 20 Q CA 0.018 55.932 55.803 0.186 0.000 0.905 20 Q CB 0.329 29.141 28.738 0.123 0.000 1.182 20 Q HN 0.628 nan 8.270 nan 0.000 0.390 21 E N 1.720 121.973 120.200 0.089 0.000 2.392 21 E HA -0.035 4.317 4.350 0.003 0.000 0.256 21 E C 0.273 176.943 176.600 0.117 0.000 1.145 21 E CA -0.311 56.114 56.400 0.041 0.000 0.929 21 E CB 0.577 30.203 29.700 -0.124 0.000 0.998 21 E HN 0.382 nan 8.360 nan 0.000 0.442 22 D N 1.465 121.937 120.400 0.120 0.000 2.104 22 D HA -0.192 4.450 4.640 0.003 0.000 0.194 22 D C 1.585 177.950 176.300 0.109 0.000 0.994 22 D CA 1.269 55.326 54.000 0.095 0.000 0.830 22 D CB -0.035 40.818 40.800 0.088 0.000 0.959 22 D HN 0.574 nan 8.370 nan 0.000 0.452 23 E N 0.151 120.457 120.200 0.177 0.000 2.204 23 E HA -0.201 4.150 4.350 0.003 0.000 0.194 23 E C 2.116 178.838 176.600 0.202 0.000 0.989 23 E CA 0.595 57.101 56.400 0.175 0.000 0.824 23 E CB -0.793 29.028 29.700 0.203 0.000 0.756 23 E HN 0.395 nan 8.360 nan 0.000 0.477 24 Y N 2.529 122.867 120.300 0.063 0.000 2.163 24 Y HA -0.120 4.432 4.550 0.003 0.000 0.288 24 Y C 2.372 178.267 175.900 -0.007 0.000 1.136 24 Y CA 0.839 58.945 58.100 0.011 0.000 1.147 24 Y CB -0.467 37.972 38.460 -0.035 0.000 0.987 24 Y HN -0.149 nan 8.280 nan 0.000 0.509 25 V N 0.718 120.559 119.914 -0.121 0.000 2.392 25 V HA -0.345 3.776 4.120 0.003 0.000 0.249 25 V C 2.730 178.741 176.094 -0.139 0.000 1.059 25 V CA 1.832 64.009 62.300 -0.206 0.000 1.051 25 V CB -1.689 30.082 31.823 -0.087 0.000 0.658 25 V HN 0.537 nan 8.190 nan 0.000 0.455 26 A N 0.032 122.822 122.820 -0.049 0.000 1.908 26 A HA -0.206 4.115 4.320 0.003 0.000 0.218 26 A C 2.158 179.725 177.584 -0.028 0.000 1.181 26 A CA 2.101 54.125 52.037 -0.022 0.000 0.627 26 A CB -0.560 18.450 19.000 0.016 0.000 0.818 26 A HN 0.545 nan 8.150 nan 0.000 0.445 27 I N -0.416 120.138 120.570 -0.026 0.000 2.226 27 I HA -0.257 3.915 4.170 0.003 0.000 0.245 27 I C 2.372 178.447 176.117 -0.071 0.000 1.100 27 I CA 1.090 62.388 61.300 -0.002 0.000 1.374 27 I CB -0.377 37.656 38.000 0.055 0.000 1.057 27 I HN 0.285 nan 8.210 nan 0.000 0.413 28 L N 0.232 121.340 121.223 -0.192 0.000 2.017 28 L HA -0.215 4.126 4.340 0.003 0.000 0.208 28 L C 2.241 179.051 176.870 -0.101 0.000 1.073 28 L CA 1.258 55.969 54.840 -0.216 0.000 0.745 28 L CB -0.775 41.062 42.059 -0.370 0.000 0.894 28 L HN 0.259 nan 8.230 nan 0.000 0.432 29 D N 0.471 120.821 120.400 -0.083 0.000 2.097 29 D HA -0.175 4.467 4.640 0.003 0.000 0.195 29 D C 2.237 178.535 176.300 -0.003 0.000 0.989 29 D CA 1.624 55.602 54.000 -0.036 0.000 0.827 29 D CB -0.134 40.646 40.800 -0.033 0.000 0.966 29 D HN 0.306 nan 8.370 nan 0.000 0.456 30 A N 0.621 123.440 122.820 -0.002 0.000 1.933 30 A HA -0.136 4.186 4.320 0.003 0.000 0.218 30 A C 2.135 179.750 177.584 0.051 0.000 1.175 30 A CA 0.974 53.021 52.037 0.017 0.000 0.628 30 A CB -0.604 18.397 19.000 0.002 0.000 0.814 30 A HN 0.234 nan 8.150 nan 0.000 0.444 31 L N -0.291 120.971 121.223 0.065 0.000 2.056 31 L HA -0.070 4.272 4.340 0.003 0.000 0.207 31 L C 2.182 179.158 176.870 0.177 0.000 1.078 31 L CA 2.645 57.559 54.840 0.124 0.000 0.749 31 L CB -0.673 41.464 42.059 0.130 0.000 0.901 31 L HN 0.432 nan 8.230 nan 0.000 0.433 32 E N 0.052 120.335 120.200 0.138 0.000 2.077 32 E HA -0.230 4.122 4.350 0.003 0.000 0.193 32 E C 2.049 178.721 176.600 0.120 0.000 0.989 32 E CA 1.596 58.088 56.400 0.154 0.000 0.800 32 E CB -0.123 29.620 29.700 0.072 0.000 0.746 32 E HN 0.599 nan 8.360 nan 0.000 0.452 33 E N -0.872 119.373 120.200 0.074 0.000 2.097 33 E HA -0.264 4.087 4.350 0.003 0.000 0.196 33 E C 1.874 178.500 176.600 0.043 0.000 1.000 33 E CA 1.449 57.879 56.400 0.050 0.000 0.804 33 E CB -0.390 29.334 29.700 0.040 0.000 0.740 33 E HN 0.392 nan 8.360 nan 0.000 0.454 34 Y N 0.843 121.096 120.300 -0.079 0.000 2.207 34 Y HA -0.240 4.312 4.550 0.003 0.000 0.287 34 Y C 1.984 177.781 175.900 -0.171 0.000 1.156 34 Y CA 1.693 59.697 58.100 -0.159 0.000 1.182 34 Y CB -0.040 38.267 38.460 -0.257 0.000 0.979 34 Y HN 0.154 nan 8.280 nan 0.000 0.521 35 H N -0.655 118.388 119.070 -0.044 0.000 2.555 35 H HA 0.055 4.612 4.556 0.002 0.000 0.269 35 H C 0.698 175.958 175.328 -0.112 0.000 0.988 35 H CA 0.775 56.758 56.048 -0.109 0.000 1.178 35 H CB -0.025 29.746 29.762 0.014 0.000 1.373 35 H HN 0.384 nan 8.280 nan 0.000 0.588 36 N N 0.197 118.892 118.700 -0.008 0.000 2.276 36 N HA 0.078 4.819 4.740 0.003 0.000 0.212 36 N C 0.734 176.208 175.510 -0.060 0.000 1.127 36 N CA 0.113 53.152 53.050 -0.019 0.000 0.834 36 N CB 0.298 38.787 38.487 0.003 0.000 1.014 36 N HN 0.321 nan 8.380 nan 0.000 0.491 37 M N -0.115 119.405 119.600 -0.134 0.000 2.560 37 M HA 0.068 4.550 4.480 0.003 0.000 0.297 37 M C 1.545 177.775 176.300 -0.117 0.000 1.201 37 M CA -0.116 55.105 55.300 -0.133 0.000 0.973 37 M CB 0.244 32.731 32.600 -0.188 0.000 1.401 37 M HN 0.045 nan 8.290 nan 0.000 0.497 38 S N 0.919 116.564 115.700 -0.091 0.000 2.381 38 S HA -0.232 4.239 4.470 0.003 0.000 0.230 38 S C 1.359 175.936 174.600 -0.040 0.000 1.052 38 S CA 1.703 59.865 58.200 -0.063 0.000 1.068 38 S CB -0.400 62.777 63.200 -0.037 0.000 0.918 38 S HN 0.627 nan 8.310 nan 0.000 0.448 39 E N 1.471 121.653 120.200 -0.029 0.000 2.489 39 E HA 0.177 4.529 4.350 0.003 0.000 0.193 39 E C 0.083 176.678 176.600 -0.007 0.000 1.057 39 E CA -0.291 56.101 56.400 -0.013 0.000 0.866 39 E CB -0.053 29.642 29.700 -0.008 0.000 0.916 39 E HN 0.600 nan 8.360 nan 0.000 0.500 40 N N 1.739 120.430 118.700 -0.014 0.000 2.445 40 N HA 0.041 4.782 4.740 0.003 0.000 0.264 40 N C 0.300 175.819 175.510 0.014 0.000 1.227 40 N CA 0.138 53.188 53.050 0.001 0.000 0.963 40 N CB 0.999 39.484 38.487 -0.004 0.000 1.188 40 N HN 0.014 nan 8.380 nan 0.000 0.491 41 T N -2.365 112.207 114.554 0.031 0.000 2.856 41 T HA 0.072 4.423 4.350 0.003 0.000 0.306 41 T C 1.752 176.485 174.700 0.056 0.000 1.062 41 T CA -0.784 61.343 62.100 0.044 0.000 1.083 41 T CB 0.481 69.382 68.868 0.056 0.000 0.984 41 T HN 0.162 nan 8.240 nan 0.000 0.542 42 V N 2.398 122.350 119.914 0.065 0.000 2.332 42 V HA -0.178 3.943 4.120 0.003 0.000 0.248 42 V C 2.822 178.978 176.094 0.102 0.000 1.055 42 V CA 1.761 64.112 62.300 0.085 0.000 1.038 42 V CB -0.979 30.892 31.823 0.079 0.000 0.651 42 V HN 0.850 nan 8.190 nan 0.000 0.450 43 V N -0.342 119.623 119.914 0.085 0.000 2.343 43 V HA -0.292 3.830 4.120 0.003 0.000 0.247 43 V C 2.435 178.584 176.094 0.092 0.000 1.051 43 V CA 2.171 64.515 62.300 0.072 0.000 1.036 43 V CB -0.616 31.275 31.823 0.112 0.000 0.654 43 V HN 0.595 nan 8.190 nan 0.000 0.451 44 E N -0.127 120.126 120.200 0.087 0.000 2.077 44 E HA -0.234 4.117 4.350 0.003 0.000 0.193 44 E C 2.326 178.978 176.600 0.086 0.000 0.989 44 E CA 1.356 57.801 56.400 0.076 0.000 0.800 44 E CB -0.102 29.632 29.700 0.057 0.000 0.746 44 E HN 0.579 nan 8.360 nan 0.000 0.452 45 K N -0.195 120.274 120.400 0.116 0.000 2.057 45 K HA -0.192 4.130 4.320 0.003 0.000 0.206 45 K C 2.146 178.869 176.600 0.204 0.000 1.050 45 K CA 1.277 57.692 56.287 0.214 0.000 0.935 45 K CB -0.312 32.323 32.500 0.224 0.000 0.715 45 K HN 0.185 nan 8.250 nan 0.000 0.439 46 Y N 2.067 122.401 120.300 0.058 0.000 2.128 46 Y HA -0.219 4.333 4.550 0.002 0.000 0.284 46 Y C 1.814 177.707 175.900 -0.011 0.000 1.154 46 Y CA 1.413 59.515 58.100 0.004 0.000 1.149 46 Y CB -0.348 38.026 38.460 -0.145 0.000 0.976 46 Y HN -0.077 nan 8.280 nan 0.000 0.505 47 L N 0.115 121.249 121.223 -0.149 0.000 2.131 47 L HA -0.213 4.128 4.340 0.003 0.000 0.210 47 L C 2.472 179.231 176.870 -0.184 0.000 1.092 47 L CA 1.599 56.339 54.840 -0.167 0.000 0.759 47 L CB -0.543 41.524 42.059 0.014 0.000 0.903 47 L HN 0.138 nan 8.230 nan 0.000 0.435 48 K N 0.876 121.209 120.400 -0.111 0.000 2.001 48 K HA -0.112 4.209 4.320 0.003 0.000 0.208 48 K C 1.964 178.405 176.600 -0.265 0.000 1.048 48 K CA 1.501 57.735 56.287 -0.089 0.000 0.932 48 K CB -0.487 32.072 32.500 0.098 0.000 0.715 48 K HN 0.127 nan 8.250 nan 0.000 0.437 49 L N 0.884 121.870 121.223 -0.396 0.000 2.043 49 L HA -0.223 4.119 4.340 0.003 0.000 0.212 49 L C 2.596 178.908 176.870 -0.930 0.000 1.075 49 L CA 1.825 56.274 54.840 -0.652 0.000 0.752 49 L CB -0.556 41.190 42.059 -0.522 0.000 0.891 49 L HN 0.277 nan 8.230 nan 0.000 0.432 50 K N 0.346 120.258 120.400 -0.813 0.000 2.032 50 K HA -0.276 4.045 4.320 0.003 0.000 0.209 50 K C 1.771 178.104 176.600 -0.446 0.000 1.048 50 K CA 2.250 58.135 56.287 -0.670 0.000 0.927 50 K CB -0.113 32.177 32.500 -0.351 0.000 0.712 50 K HN 0.189 nan 8.250 nan 0.000 0.441 51 D N 0.139 120.354 120.400 -0.308 0.000 2.117 51 D HA -0.084 4.557 4.640 0.003 0.000 0.198 51 D C 1.865 178.046 176.300 -0.198 0.000 0.982 51 D CA 1.025 54.913 54.000 -0.187 0.000 0.828 51 D CB 0.060 40.793 40.800 -0.111 0.000 0.967 51 D HN 0.270 nan 8.370 nan 0.000 0.464 52 I N 0.298 120.713 120.570 -0.260 0.000 2.208 52 I HA -0.288 3.884 4.170 0.003 0.000 0.245 52 I C 2.153 178.130 176.117 -0.232 0.000 1.097 52 I CA 1.116 62.299 61.300 -0.195 0.000 1.363 52 I CB -0.334 37.536 38.000 -0.217 0.000 1.051 52 I HN 0.102 nan 8.210 nan 0.000 0.413 53 N N 0.107 118.520 118.700 -0.479 0.000 2.084 53 N HA -0.235 4.507 4.740 0.003 0.000 0.190 53 N C 2.021 177.421 175.510 -0.184 0.000 1.030 53 N CA 1.815 54.603 53.050 -0.437 0.000 0.849 53 N CB -0.143 37.853 38.487 -0.817 0.000 1.012 53 N HN 0.221 nan 8.380 nan 0.000 0.423 54 S N -0.359 115.243 115.700 -0.163 0.000 2.370 54 S HA -0.061 4.411 4.470 0.003 0.000 0.226 54 S C 1.913 176.498 174.600 -0.026 0.000 1.033 54 S CA 0.990 59.153 58.200 -0.061 0.000 1.011 54 S CB -0.472 62.699 63.200 -0.047 0.000 0.852 54 S HN 0.403 nan 8.310 nan 0.000 0.457 55 L N 0.748 121.955 121.223 -0.027 0.000 2.141 55 L HA -0.063 4.278 4.340 0.003 0.000 0.209 55 L C 2.775 179.680 176.870 0.060 0.000 1.094 55 L CA 1.485 56.335 54.840 0.018 0.000 0.763 55 L CB -0.888 41.184 42.059 0.020 0.000 0.908 55 L HN 0.356 nan 8.230 nan 0.000 0.437 56 T N -1.246 113.346 114.554 0.064 0.000 2.812 56 T HA -0.141 4.211 4.350 0.003 0.000 0.264 56 T C 1.434 176.183 174.700 0.081 0.000 1.042 56 T CA 1.221 63.391 62.100 0.116 0.000 1.140 56 T CB -0.182 68.778 68.868 0.153 0.000 0.870 56 T HN 0.285 nan 8.240 nan 0.000 0.445 57 D N 1.209 121.635 120.400 0.043 0.000 2.104 57 D HA -0.040 4.601 4.640 0.003 0.000 0.194 57 D C 2.086 178.405 176.300 0.032 0.000 0.994 57 D CA 0.814 54.835 54.000 0.035 0.000 0.830 57 D CB -0.417 40.398 40.800 0.024 0.000 0.959 57 D HN 0.350 nan 8.370 nan 0.000 0.452 58 I N 0.427 121.015 120.570 0.030 0.000 2.151 58 I HA -0.318 3.854 4.170 0.003 0.000 0.243 58 I C 2.768 178.906 176.117 0.034 0.000 1.080 58 I CA 0.811 62.123 61.300 0.021 0.000 1.339 58 I CB -0.258 37.755 38.000 0.021 0.000 1.039 58 I HN 0.136 nan 8.210 nan 0.000 0.409 59 C N 1.047 120.400 119.300 0.088 0.000 2.425 59 C HA -0.123 4.338 4.460 0.003 0.000 0.277 59 C C 2.742 177.821 174.990 0.149 0.000 1.280 59 C CA 0.703 59.819 59.018 0.164 0.000 1.744 59 C CB -0.875 26.987 27.740 0.203 0.000 1.989 59 C HN 0.392 nan 8.230 nan 0.000 0.491 60 I N 0.514 121.140 120.570 0.093 0.000 2.252 60 I HA -0.161 4.011 4.170 0.003 0.000 0.245 60 I C 2.204 178.343 176.117 0.037 0.000 1.102 60 I CA 2.263 63.604 61.300 0.069 0.000 1.385 60 I CB -0.511 37.519 38.000 0.050 0.000 1.064 60 I HN 0.361 nan 8.210 nan 0.000 0.414 61 D N -0.035 120.369 120.400 0.007 0.000 2.183 61 D HA -0.136 4.506 4.640 0.003 0.000 0.203 61 D C 2.034 178.281 176.300 -0.088 0.000 0.969 61 D CA 1.205 55.188 54.000 -0.028 0.000 0.842 61 D CB 0.240 41.023 40.800 -0.028 0.000 0.957 61 D HN 0.167 nan 8.370 nan 0.000 0.484 62 T N -1.031 113.431 114.554 -0.153 0.000 2.777 62 T HA -0.123 4.229 4.350 0.003 0.000 0.266 62 T C -0.027 174.317 174.700 -0.594 0.000 1.040 62 T CA 0.985 62.837 62.100 -0.413 0.000 1.141 62 T CB -0.150 68.386 68.868 -0.553 0.000 0.868 62 T HN 0.161 nan 8.240 nan 0.000 0.444 63 Y N 1.657 121.956 120.300 -0.001 0.000 2.787 63 Y HA 0.378 4.929 4.550 0.002 0.000 0.352 63 Y C 0.984 176.875 175.900 -0.014 0.000 1.027 63 Y CA -1.466 56.628 58.100 -0.009 0.000 1.219 63 Y CB 0.498 38.948 38.460 -0.017 0.000 1.110 63 Y HN 0.117 nan 8.280 nan 0.000 0.614 64 K N 0.186 120.633 120.400 0.078 0.000 2.296 64 K HA -0.052 4.269 4.320 0.003 0.000 0.200 64 K C 0.876 177.501 176.600 0.043 0.000 1.048 64 K CA 1.102 57.416 56.287 0.044 0.000 0.966 64 K CB 0.060 32.569 32.500 0.014 0.000 0.754 64 K HN 0.455 nan 8.250 nan 0.000 0.466 65 K N 0.721 121.154 120.400 0.055 0.000 2.387 65 K HA 0.171 4.492 4.320 0.003 0.000 0.198 65 K C 0.054 176.669 176.600 0.025 0.000 1.022 65 K CA -0.317 55.991 56.287 0.035 0.000 1.128 65 K CB 0.628 33.147 32.500 0.032 0.000 0.853 65 K HN -0.010 nan 8.250 nan 0.000 0.523 66 S N 0.828 116.549 115.700 0.035 0.000 2.549 66 S HA 0.133 4.605 4.470 0.003 0.000 0.283 66 S C 1.319 175.894 174.600 -0.042 0.000 1.320 66 S CA -0.247 57.945 58.200 -0.013 0.000 1.058 66 S CB 0.755 63.943 63.200 -0.021 0.000 0.882 66 S HN 0.479 nan 8.310 nan 0.000 0.498 67 G N 4.167 112.928 108.800 -0.065 0.000 2.653 67 G HA2 -0.110 3.851 3.960 0.003 0.000 0.212 67 G HA3 -0.110 3.851 3.960 0.003 0.000 0.212 67 G C 1.368 176.210 174.900 -0.096 0.000 1.138 67 G CA 0.118 45.176 45.100 -0.069 0.000 0.782 67 G HN 0.783 nan 8.290 nan 0.000 0.535 68 R N -0.228 120.191 120.500 -0.134 0.000 2.210 68 R HA 0.061 4.402 4.340 0.003 0.000 0.203 68 R C 1.827 178.065 176.300 -0.103 0.000 1.010 68 R CA 0.308 56.298 56.100 -0.183 0.000 1.008 68 R CB -0.086 30.004 30.300 -0.350 0.000 0.923 68 R HN 0.190 nan 8.270 nan 0.000 0.469 69 N N 1.610 120.276 118.700 -0.058 0.000 2.120 69 N HA -0.161 4.581 4.740 0.003 0.000 0.188 69 N C 1.521 177.024 175.510 -0.011 0.000 1.024 69 N CA 1.112 54.151 53.050 -0.018 0.000 0.852 69 N CB -0.135 38.352 38.487 0.000 0.000 1.003 69 N HN 0.176 nan 8.380 nan 0.000 0.424 70 K N 0.699 121.087 120.400 -0.020 0.000 2.044 70 K HA -0.101 4.221 4.320 0.003 0.000 0.210 70 K C 1.806 178.395 176.600 -0.017 0.000 1.049 70 K CA 1.563 57.840 56.287 -0.017 0.000 0.927 70 K CB -0.121 32.369 32.500 -0.018 0.000 0.713 70 K HN 0.160 nan 8.250 nan 0.000 0.443 71 A N 0.792 123.601 122.820 -0.018 0.000 1.968 71 A HA -0.052 4.270 4.320 0.003 0.000 0.217 71 A C 2.051 179.657 177.584 0.036 0.000 1.169 71 A CA 0.931 52.967 52.037 -0.002 0.000 0.638 71 A CB -0.371 18.625 19.000 -0.007 0.000 0.812 71 A HN 0.294 nan 8.150 nan 0.000 0.446 72 L N -1.049 120.199 121.223 0.040 0.000 2.093 72 L HA -0.154 4.187 4.340 0.003 0.000 0.208 72 L C 2.512 179.450 176.870 0.115 0.000 1.085 72 L CA 1.486 56.399 54.840 0.122 0.000 0.755 72 L CB -0.343 41.772 42.059 0.093 0.000 0.904 72 L HN 0.308 nan 8.230 nan 0.000 0.435 73 K N 0.054 120.475 120.400 0.035 0.000 2.057 73 K HA -0.193 4.128 4.320 0.003 0.000 0.206 73 K C 2.110 178.672 176.600 -0.062 0.000 1.050 73 K CA 1.034 57.319 56.287 -0.003 0.000 0.935 73 K CB -0.004 32.489 32.500 -0.011 0.000 0.715 73 K HN -0.061 nan 8.250 nan 0.000 0.439 74 K N 0.620 120.959 120.400 -0.102 0.000 2.032 74 K HA -0.176 4.146 4.320 0.003 0.000 0.209 74 K C 1.773 178.079 176.600 -0.489 0.000 1.048 74 K CA 1.393 57.509 56.287 -0.285 0.000 0.927 74 K CB -0.441 31.910 32.500 -0.249 0.000 0.712 74 K HN 0.058 nan 8.250 nan 0.000 0.441 75 F N 1.586 121.325 119.950 -0.352 0.000 2.161 75 F HA -0.173 4.355 4.527 0.002 0.000 0.300 75 F C 1.492 177.245 175.800 -0.078 0.000 1.089 75 F CA 1.709 59.607 58.000 -0.170 0.000 1.282 75 F CB -0.156 38.852 39.000 0.013 0.000 1.010 75 F HN -0.004 nan 8.300 nan 0.000 0.485 76 K N 0.101 120.383 120.400 -0.196 0.000 2.147 76 K HA -0.187 4.135 4.320 0.003 0.000 0.205 76 K C 1.951 178.490 176.600 -0.102 0.000 1.049 76 K CA 1.810 57.981 56.287 -0.194 0.000 0.936 76 K CB -0.257 32.209 32.500 -0.056 0.000 0.722 76 K HN 0.427 nan 8.250 nan 0.000 0.446 77 E N -0.244 119.882 120.200 -0.122 0.000 2.106 77 E HA -0.168 4.184 4.350 0.003 0.000 0.192 77 E C 1.779 178.423 176.600 0.073 0.000 0.984 77 E CA 0.981 57.358 56.400 -0.039 0.000 0.806 77 E CB -0.075 29.572 29.700 -0.088 0.000 0.750 77 E HN 0.302 nan 8.360 nan 0.000 0.458 78 Y N 0.907 121.197 120.300 -0.016 0.000 2.224 78 Y HA -0.157 4.395 4.550 0.003 0.000 0.289 78 Y C 2.173 178.027 175.900 -0.077 0.000 1.146 78 Y CA 0.586 58.678 58.100 -0.013 0.000 1.182 78 Y CB -0.789 37.703 38.460 0.053 0.000 0.983 78 Y HN 0.028 nan 8.280 nan 0.000 0.524 79 L N -1.233 119.955 121.223 -0.059 0.000 2.012 79 L HA -0.223 4.119 4.340 0.003 0.000 0.210 79 L C 2.353 179.340 176.870 0.195 0.000 1.073 79 L CA 1.058 55.848 54.840 -0.083 0.000 0.748 79 L CB -0.987 40.887 42.059 -0.309 0.000 0.891 79 L HN 0.024 nan 8.230 nan 0.000 0.431 80 V N -0.640 119.395 119.914 0.203 0.000 2.295 80 V HA -0.297 3.824 4.120 0.003 0.000 0.246 80 V C 2.561 178.716 176.094 0.101 0.000 1.049 80 V CA 2.419 64.798 62.300 0.130 0.000 1.024 80 V CB -0.998 30.871 31.823 0.076 0.000 0.648 80 V HN 0.482 nan 8.190 nan 0.000 0.447 81 T N -0.360 114.260 114.554 0.110 0.000 2.737 81 T HA -0.261 4.090 4.350 0.003 0.000 0.269 81 T C 1.920 176.672 174.700 0.087 0.000 1.040 81 T CA 1.918 64.074 62.100 0.094 0.000 1.142 81 T CB -0.265 68.679 68.868 0.126 0.000 0.861 81 T HN 0.531 nan 8.240 nan 0.000 0.456 82 E N 0.856 121.117 120.200 0.102 0.000 2.110 82 E HA -0.082 4.270 4.350 0.003 0.000 0.193 82 E C 2.074 178.751 176.600 0.129 0.000 0.988 82 E CA 0.708 57.170 56.400 0.104 0.000 0.804 82 E CB -0.524 29.210 29.700 0.057 0.000 0.745 82 E HN 0.289 nan 8.360 nan 0.000 0.458 83 V N 0.661 120.667 119.914 0.154 0.000 2.343 83 V HA -0.261 3.860 4.120 0.003 0.000 0.247 83 V C 2.399 178.553 176.094 0.100 0.000 1.051 83 V CA 1.754 64.163 62.300 0.181 0.000 1.036 83 V CB -0.501 31.443 31.823 0.201 0.000 0.654 83 V HN 0.302 nan 8.190 nan 0.000 0.451 84 L N -0.780 120.473 121.223 0.049 0.000 2.056 84 L HA -0.106 4.236 4.340 0.003 0.000 0.207 84 L C 2.735 179.607 176.870 0.004 0.000 1.078 84 L CA 1.228 56.058 54.840 -0.016 0.000 0.749 84 L CB -0.675 41.353 42.059 -0.052 0.000 0.901 84 L HN 0.267 nan 8.230 nan 0.000 0.433 85 E N 0.535 120.759 120.200 0.039 0.000 2.033 85 E HA -0.239 4.112 4.350 0.003 0.000 0.199 85 E C 2.356 178.994 176.600 0.065 0.000 1.011 85 E CA 1.399 57.830 56.400 0.051 0.000 0.815 85 E CB -0.425 29.320 29.700 0.075 0.000 0.755 85 E HN 0.429 nan 8.360 nan 0.000 0.451 86 L N 0.676 121.959 121.223 0.099 0.000 2.013 86 L HA -0.253 4.088 4.340 0.003 0.000 0.212 86 L C 2.777 179.692 176.870 0.076 0.000 1.073 86 L CA 1.632 56.538 54.840 0.110 0.000 0.753 86 L CB -0.453 41.703 42.059 0.162 0.000 0.890 86 L HN 0.155 nan 8.230 nan 0.000 0.432 87 K N -0.113 120.322 120.400 0.059 0.000 2.063 87 K HA -0.180 4.142 4.320 0.003 0.000 0.208 87 K C 1.648 178.258 176.600 0.016 0.000 1.048 87 K CA 1.543 57.850 56.287 0.034 0.000 0.928 87 K CB 0.045 32.544 32.500 -0.001 0.000 0.713 87 K HN 0.322 nan 8.250 nan 0.000 0.442 88 N N 0.528 119.229 118.700 0.002 0.000 2.412 88 N HA -0.021 4.721 4.740 0.003 0.000 0.184 88 N C 0.560 176.077 175.510 0.013 0.000 1.101 88 N CA 0.511 53.558 53.050 -0.006 0.000 0.881 88 N CB 0.295 38.768 38.487 -0.024 0.000 0.969 88 N HN 0.254 nan 8.380 nan 0.000 0.459 89 N N 0.351 119.067 118.700 0.026 0.000 2.171 89 N HA 0.109 4.851 4.740 0.003 0.000 0.212 89 N C -0.590 174.940 175.510 0.033 0.000 1.184 89 N CA 0.063 53.130 53.050 0.029 0.000 0.888 89 N CB 0.635 39.142 38.487 0.033 0.000 1.038 89 N HN 0.117 nan 8.380 nan 0.000 0.517 90 N N 1.366 120.090 118.700 0.039 0.000 2.813 90 N HA 0.170 4.912 4.740 0.003 0.000 0.282 90 N C -1.073 174.463 175.510 0.044 0.000 1.748 90 N CA -0.278 52.796 53.050 0.041 0.000 0.860 90 N CB 1.263 39.779 38.487 0.047 0.000 1.204 90 N HN -0.070 nan 8.380 nan 0.000 0.490 91 L N 1.358 122.605 121.223 0.039 0.000 2.326 91 L HA 0.396 4.737 4.340 0.003 0.000 0.278 91 L C 1.229 178.125 176.870 0.043 0.000 1.092 91 L CA -0.184 54.682 54.840 0.043 0.000 0.810 91 L CB 0.972 43.055 42.059 0.040 0.000 1.153 91 L HN 0.300 nan 8.230 nan 0.000 0.439 92 T N 0.779 115.362 114.554 0.048 0.000 2.908 92 T HA 0.730 5.081 4.350 0.003 0.000 0.290 92 T C -2.786 171.942 174.700 0.046 0.000 1.034 92 T CA -2.380 59.747 62.100 0.044 0.000 1.010 92 T CB 1.926 70.822 68.868 0.046 0.000 1.068 92 T HN 0.242 nan 8.240 nan 0.000 0.481 93 P HA 0.217 nan 4.420 nan 0.000 0.265 93 P C -0.513 176.811 177.300 0.041 0.000 1.193 93 P CA -0.400 62.720 63.100 0.034 0.000 0.765 93 P CB 0.327 32.037 31.700 0.017 0.000 0.823 94 V N 4.211 124.156 119.914 0.052 0.000 2.488 94 V HA 0.040 4.162 4.120 0.003 0.000 0.277 94 V C 0.697 176.807 176.094 0.027 0.000 1.046 94 V CA -0.187 62.151 62.300 0.063 0.000 0.986 94 V CB 0.071 31.953 31.823 0.098 0.000 0.989 94 V HN 0.517 nan 8.190 nan 0.000 0.475 95 E N 4.247 124.460 120.200 0.022 0.000 2.502 95 E HA 0.015 4.367 4.350 0.003 0.000 0.261 95 E C 0.290 176.840 176.600 -0.084 0.000 0.974 95 E CA 0.189 56.575 56.400 -0.024 0.000 0.936 95 E CB 0.240 29.949 29.700 0.015 0.000 0.926 95 E HN 0.369 nan 8.360 nan 0.000 0.459 96 K N 3.701 123.955 120.400 -0.245 0.000 2.449 96 K HA 0.132 4.453 4.320 0.003 0.000 0.237 96 K C -0.571 175.844 176.600 -0.308 0.000 1.265 96 K CA -0.071 55.838 56.287 -0.629 0.000 1.193 96 K CB -0.577 31.376 32.500 -0.912 0.000 1.515 96 K HN 0.336 nan 8.250 nan 0.000 0.259 97 N N 1.917 120.576 118.700 -0.068 0.000 2.314 97 N HA 0.356 5.097 4.740 0.003 0.000 0.294 97 N C -0.553 174.819 175.510 -0.229 0.000 1.029 97 N CA -0.561 52.404 53.050 -0.142 0.000 0.845 97 N CB 2.078 40.392 38.487 -0.289 0.000 1.321 97 N HN 0.132 nan 8.380 nan 0.000 0.481 98 L N 2.890 123.991 121.223 -0.203 0.000 2.282 98 L HA 0.369 4.711 4.340 0.003 0.000 0.288 98 L C -0.306 176.314 176.870 -0.416 0.000 1.033 98 L CA -0.679 53.929 54.840 -0.386 0.000 0.807 98 L CB 0.832 42.723 42.059 -0.280 0.000 1.209 98 L HN 0.325 nan 8.230 nan 0.000 0.423 99 H N 4.114 123.032 119.070 -0.253 0.000 2.551 99 H HA 0.423 4.980 4.556 0.002 0.000 0.321 99 H C -0.801 174.305 175.328 -0.370 0.000 1.028 99 H CA -0.447 55.581 56.048 -0.033 0.000 1.215 99 H CB 1.190 31.097 29.762 0.242 0.000 1.414 99 H HN 0.295 nan 8.280 nan 0.000 0.480 100 F N 1.144 121.175 119.950 0.134 0.000 2.483 100 F HA 0.472 5.001 4.527 0.002 0.000 0.329 100 F C 0.313 176.337 175.800 0.373 0.000 1.064 100 F CA -0.946 57.087 58.000 0.055 0.000 0.986 100 F CB 1.623 40.629 39.000 0.011 0.000 1.218 100 F HN 0.098 nan 8.300 nan 0.000 0.484 101 V N 1.486 121.759 119.914 0.598 0.000 2.588 101 V HA 0.317 4.438 4.120 0.003 0.000 0.304 101 V C -1.478 174.972 176.094 0.594 0.000 1.042 101 V CA -0.960 61.691 62.300 0.584 0.000 0.877 101 V CB 2.255 34.369 31.823 0.485 0.000 0.996 101 V HN 0.791 nan 8.190 nan 0.000 0.425 102 W N 7.931 129.431 121.300 0.333 0.000 2.740 102 W HA 0.620 5.281 4.660 0.002 0.000 0.316 102 W C -1.497 175.197 176.519 0.292 0.000 1.020 102 W CA -0.579 56.925 57.345 0.266 0.000 1.278 102 W CB 1.679 31.262 29.460 0.205 0.000 1.224 102 W HN 0.664 nan 8.180 nan 0.000 0.393 103 I N 1.970 122.360 120.570 -0.300 0.000 2.846 103 I HA 0.916 5.088 4.170 0.003 0.000 0.307 103 I C 0.819 176.743 176.117 -0.321 0.000 1.053 103 I CA -0.321 60.898 61.300 -0.136 0.000 1.050 103 I CB 2.050 40.064 38.000 0.023 0.000 1.239 103 I HN 0.595 nan 8.210 nan 0.000 0.439 104 G N 2.186 110.924 108.800 -0.104 0.000 2.176 104 G HA2 0.158 4.119 3.960 0.003 0.000 0.232 104 G HA3 0.158 4.119 3.960 0.003 0.000 0.232 104 G C 0.267 175.226 174.900 0.098 0.000 0.986 104 G CA -0.100 44.961 45.100 -0.064 0.000 0.643 104 G HN 1.897 nan 8.290 nan 0.000 0.522 105 G N -1.273 107.682 108.800 0.259 0.000 2.315 105 G HA2 0.617 4.579 3.960 0.003 0.000 0.294 105 G HA3 0.617 4.579 3.960 0.003 0.000 0.294 105 G C -0.760 174.465 174.900 0.541 0.000 1.300 105 G CA 0.518 45.901 45.100 0.472 0.000 0.843 105 G HN 1.212 nan 8.290 nan 0.000 0.527 106 Q N -0.055 119.948 119.800 0.339 0.000 2.337 106 Q HA 0.467 4.808 4.340 0.003 0.000 0.270 106 Q C 0.100 176.288 176.000 0.314 0.000 1.002 106 Q CA -0.180 55.683 55.803 0.100 0.000 0.888 106 Q CB 0.898 29.517 28.738 -0.199 0.000 1.222 106 Q HN 0.678 nan 8.270 nan 0.000 0.400 107 I N 4.045 124.672 120.570 0.096 0.000 2.474 107 I HA 0.172 4.344 4.170 0.003 0.000 0.287 107 I C -0.228 175.722 176.117 -0.279 0.000 1.048 107 I CA -0.560 60.533 61.300 -0.346 0.000 1.383 107 I CB 0.492 38.267 38.000 -0.375 0.000 1.412 107 I HN 0.982 nan 8.210 nan 0.000 0.531 108 N N 4.639 123.115 118.700 -0.373 0.000 2.434 108 N HA 0.098 4.840 4.740 0.003 0.000 0.266 108 N C 0.212 175.591 175.510 -0.218 0.000 1.223 108 N CA -0.357 52.558 53.050 -0.225 0.000 0.972 108 N CB 0.595 38.979 38.487 -0.170 0.000 1.207 108 N HN 0.485 nan 8.380 nan 0.000 0.525 109 D N -0.220 120.098 120.400 -0.137 0.000 2.117 109 D HA -0.100 4.541 4.640 0.003 0.000 0.197 109 D C 1.212 177.458 176.300 -0.090 0.000 0.987 109 D CA 1.558 55.496 54.000 -0.102 0.000 0.829 109 D CB -0.491 40.272 40.800 -0.061 0.000 0.961 109 D HN 0.681 nan 8.370 nan 0.000 0.460 110 T N 0.422 114.919 114.554 -0.096 0.000 2.759 110 T HA -0.138 4.214 4.350 0.003 0.000 0.269 110 T C 1.951 176.566 174.700 -0.142 0.000 1.042 110 T CA 1.438 63.498 62.100 -0.066 0.000 1.140 110 T CB -0.255 68.559 68.868 -0.090 0.000 0.864 110 T HN 0.199 nan 8.240 nan 0.000 0.455 111 A N 0.812 123.461 122.820 -0.284 0.000 1.933 111 A HA -0.005 4.317 4.320 0.003 0.000 0.218 111 A C 2.266 179.726 177.584 -0.207 0.000 1.175 111 A CA 1.157 52.993 52.037 -0.336 0.000 0.628 111 A CB -0.689 17.992 19.000 -0.531 0.000 0.814 111 A HN 0.520 nan 8.150 nan 0.000 0.444 112 I N -0.215 120.245 120.570 -0.183 0.000 2.286 112 I HA -0.257 3.914 4.170 0.003 0.000 0.245 112 I C 2.203 178.277 176.117 -0.071 0.000 1.104 112 I CA 1.377 62.588 61.300 -0.149 0.000 1.397 112 I CB -0.401 37.517 38.000 -0.137 0.000 1.072 112 I HN 0.442 nan 8.210 nan 0.000 0.417 113 N N -0.321 118.380 118.700 0.001 0.000 2.149 113 N HA -0.239 4.502 4.740 0.003 0.000 0.188 113 N C 1.786 177.370 175.510 0.124 0.000 1.019 113 N CA 1.182 54.271 53.050 0.065 0.000 0.857 113 N CB -0.123 38.436 38.487 0.121 0.000 0.997 113 N HN 0.222 nan 8.380 nan 0.000 0.426 114 Y N 1.336 121.609 120.300 -0.045 0.000 2.145 114 Y HA -0.083 4.469 4.550 0.002 0.000 0.286 114 Y C 2.132 178.034 175.900 0.003 0.000 1.145 114 Y CA 0.658 58.757 58.100 -0.001 0.000 1.148 114 Y CB -0.528 37.970 38.460 0.063 0.000 0.981 114 Y HN 0.054 nan 8.280 nan 0.000 0.507 115 I N 0.047 120.625 120.570 0.014 0.000 2.208 115 I HA -0.363 3.808 4.170 0.003 0.000 0.245 115 I C 1.792 177.872 176.117 -0.062 0.000 1.097 115 I CA 1.436 62.586 61.300 -0.249 0.000 1.363 115 I CB -0.404 37.230 38.000 -0.610 0.000 1.051 115 I HN 0.232 nan 8.210 nan 0.000 0.413 116 N N 0.449 119.108 118.700 -0.068 0.000 2.364 116 N HA -0.158 4.584 4.740 0.003 0.000 0.183 116 N C 1.792 177.244 175.510 -0.097 0.000 1.022 116 N CA 0.869 53.880 53.050 -0.064 0.000 0.883 116 N CB -0.212 38.234 38.487 -0.068 0.000 0.965 116 N HN 0.432 nan 8.380 nan 0.000 0.438 117 Q N -0.536 119.165 119.800 -0.165 0.000 2.079 117 Q HA -0.086 4.255 4.340 0.003 0.000 0.200 117 Q C 1.981 177.744 176.000 -0.395 0.000 0.974 117 Q CA 0.953 56.522 55.803 -0.389 0.000 0.840 117 Q CB -0.586 27.744 28.738 -0.679 0.000 0.898 117 Q HN 0.512 nan 8.270 nan 0.000 0.430 118 W N 1.878 123.031 121.300 -0.244 0.000 2.354 118 W HA -0.131 4.531 4.660 0.003 0.000 0.315 118 W C 2.451 178.904 176.519 -0.110 0.000 1.206 118 W CA 1.065 58.317 57.345 -0.154 0.000 1.290 118 W CB -0.242 29.226 29.460 0.014 0.000 1.152 118 W HN 0.106 nan 8.180 nan 0.000 0.489 119 K N -0.087 120.414 120.400 0.168 0.000 2.044 119 K HA -0.224 4.097 4.320 0.003 0.000 0.210 119 K C 1.440 178.056 176.600 0.027 0.000 1.049 119 K CA 1.926 58.264 56.287 0.085 0.000 0.927 119 K CB -0.613 31.909 32.500 0.037 0.000 0.713 119 K HN 0.063 nan 8.250 nan 0.000 0.443 120 D N 0.041 120.418 120.400 -0.037 0.000 2.265 120 D HA -0.106 4.536 4.640 0.003 0.000 0.208 120 D C 1.362 177.629 176.300 -0.055 0.000 0.977 120 D CA 0.961 54.919 54.000 -0.069 0.000 0.871 120 D CB 0.206 40.922 40.800 -0.140 0.000 0.925 120 D HN -0.000 nan 8.370 nan 0.000 0.485 121 V N 0.397 120.279 119.914 -0.054 0.000 3.528 121 V HA 0.129 4.251 4.120 0.003 0.000 0.294 121 V C 0.201 176.304 176.094 0.014 0.000 1.404 121 V CA 0.028 62.306 62.300 -0.037 0.000 1.065 121 V CB 0.206 31.980 31.823 -0.082 0.000 0.904 121 V HN 0.088 nan 8.190 nan 0.000 0.435 122 N N 0.061 118.794 118.700 0.053 0.000 2.703 122 N HA 0.089 4.831 4.740 0.003 0.000 0.283 122 N C 1.251 176.873 175.510 0.187 0.000 1.851 122 N CA 0.549 53.671 53.050 0.120 0.000 0.826 122 N CB 1.475 39.968 38.487 0.010 0.000 1.239 122 N HN 0.387 nan 8.380 nan 0.000 0.495 123 S N -0.227 115.549 115.700 0.128 0.000 2.447 123 S HA -0.157 4.315 4.470 0.003 0.000 0.233 123 S C 1.219 175.886 174.600 0.111 0.000 1.006 123 S CA 0.910 59.170 58.200 0.099 0.000 0.957 123 S CB -0.140 63.093 63.200 0.056 0.000 0.773 123 S HN 0.374 nan 8.310 nan 0.000 0.507 124 D N -0.419 120.070 120.400 0.147 0.000 2.352 124 D HA -0.027 4.615 4.640 0.003 0.000 0.232 124 D C -0.404 175.893 176.300 -0.005 0.000 1.055 124 D CA -0.014 54.028 54.000 0.069 0.000 0.891 124 D CB -0.537 40.291 40.800 0.047 0.000 0.897 124 D HN 0.457 nan 8.370 nan 0.000 0.529 125 Y N 0.590 120.898 120.300 0.013 0.000 2.341 125 Y HA 0.284 4.837 4.550 0.004 0.000 0.337 125 Y C 0.339 176.235 175.900 -0.007 0.000 1.014 125 Y CA -1.413 56.686 58.100 -0.000 0.000 1.111 125 Y CB 1.287 39.752 38.460 0.009 0.000 1.194 125 Y HN -0.197 nan 8.280 nan 0.000 0.462 126 N N 1.913 120.646 118.700 0.054 0.000 2.458 126 N HA 0.361 5.102 4.740 0.003 0.000 0.270 126 N C -1.627 173.913 175.510 0.049 0.000 1.102 126 N CA -0.146 52.923 53.050 0.032 0.000 0.967 126 N CB 0.754 39.233 38.487 -0.015 0.000 1.078 126 N HN 0.310 nan 8.380 nan 0.000 0.471 127 V N 3.543 123.492 119.914 0.058 0.000 2.398 127 V HA 0.380 4.501 4.120 0.003 0.000 0.286 127 V C -0.271 175.851 176.094 0.047 0.000 1.026 127 V CA -0.888 61.462 62.300 0.083 0.000 0.868 127 V CB 1.120 33.022 31.823 0.132 0.000 0.982 127 V HN 0.741 nan 8.190 nan 0.000 0.443 128 N N 2.578 121.312 118.700 0.058 0.000 2.392 128 N HA 0.590 5.332 4.740 0.003 0.000 0.283 128 N C -1.028 174.538 175.510 0.094 0.000 1.003 128 N CA -0.551 52.465 53.050 -0.056 0.000 0.892 128 N CB 2.307 40.644 38.487 -0.250 0.000 1.193 128 N HN 0.460 nan 8.380 nan 0.000 0.487 129 V N 3.424 123.374 119.914 0.060 0.000 2.275 129 V HA 0.297 4.418 4.120 0.003 0.000 0.272 129 V C -0.481 175.764 176.094 0.252 0.000 1.028 129 V CA -0.652 61.783 62.300 0.226 0.000 0.810 129 V CB -0.766 31.160 31.823 0.173 0.000 1.043 129 V HN 0.580 nan 8.190 nan 0.000 0.453 130 F N 5.480 125.627 119.950 0.328 0.000 2.538 130 F HA 0.405 4.933 4.527 0.002 0.000 0.371 130 F C 0.356 176.380 175.800 0.374 0.000 1.087 130 F CA 0.276 58.439 58.000 0.272 0.000 1.250 130 F CB 0.216 39.316 39.000 0.167 0.000 1.110 130 F HN 0.626 nan 8.300 nan 0.000 0.570 131 Y N -0.066 120.445 120.300 0.351 0.000 2.669 131 Y HA 0.603 5.155 4.550 0.003 0.000 0.335 131 Y C -1.575 174.432 175.900 0.177 0.000 1.116 131 Y CA -1.854 56.401 58.100 0.257 0.000 1.081 131 Y CB 1.116 39.739 38.460 0.272 0.000 1.297 131 Y HN 0.383 nan 8.280 nan 0.000 0.484 132 D N 0.733 121.164 120.400 0.051 0.000 2.440 132 D HA 0.204 4.845 4.640 0.003 0.000 0.239 132 D C 0.334 176.443 176.300 -0.318 0.000 1.084 132 D CA -0.031 53.917 54.000 -0.087 0.000 0.843 132 D CB 1.871 42.724 40.800 0.090 0.000 1.097 132 D HN 0.739 nan 8.370 nan 0.000 0.531 133 S N 2.973 118.519 115.700 -0.257 0.000 2.522 133 S HA -0.077 4.394 4.470 0.003 0.000 0.227 133 S C 1.099 175.631 174.600 -0.113 0.000 0.986 133 S CA 0.271 58.367 58.200 -0.174 0.000 0.929 133 S CB 0.037 63.343 63.200 0.177 0.000 0.769 133 S HN 0.327 nan 8.310 nan 0.000 0.529 134 N N 1.999 120.667 118.700 -0.054 0.000 2.467 134 N HA 0.302 5.044 4.740 0.003 0.000 0.184 134 N C 0.550 176.080 175.510 0.032 0.000 1.106 134 N CA 0.837 53.915 53.050 0.047 0.000 0.892 134 N CB 0.260 38.811 38.487 0.106 0.000 0.969 134 N HN 0.619 nan 8.380 nan 0.000 0.454 135 A N -0.834 121.920 122.820 -0.110 0.000 2.663 135 A HA 0.317 4.638 4.320 0.003 0.000 0.273 135 A C 0.069 177.645 177.584 -0.014 0.000 0.932 135 A CA -0.460 51.556 52.037 -0.034 0.000 1.055 135 A CB -0.583 18.399 19.000 -0.030 0.000 1.206 135 A HN 0.026 nan 8.150 nan 0.000 0.485 136 F N -0.217 119.838 119.950 0.175 0.000 2.604 136 F HA 0.112 4.641 4.527 0.002 0.000 0.298 136 F C 1.554 177.504 175.800 0.250 0.000 1.131 136 F CA 1.079 59.200 58.000 0.201 0.000 1.457 136 F CB -0.005 39.108 39.000 0.189 0.000 1.095 136 F HN 0.328 nan 8.300 nan 0.000 0.574 137 L N -0.874 120.532 121.223 0.304 0.000 2.640 137 L HA 0.055 4.397 4.340 0.003 0.000 0.230 137 L C 1.944 178.783 176.870 -0.052 0.000 1.123 137 L CA -0.155 54.774 54.840 0.148 0.000 0.900 137 L CB -0.054 42.080 42.059 0.125 0.000 1.146 137 L HN 0.038 nan 8.230 nan 0.000 0.484 138 I N 0.643 121.170 120.570 -0.071 0.000 2.264 138 I HA -0.262 3.909 4.170 0.003 0.000 0.248 138 I C 2.081 178.010 176.117 -0.313 0.000 1.111 138 I CA 1.342 62.491 61.300 -0.252 0.000 1.382 138 I CB -0.882 37.019 38.000 -0.166 0.000 1.060 138 I HN 0.374 nan 8.210 nan 0.000 0.418 139 N N 0.613 119.229 118.700 -0.139 0.000 2.142 139 N HA -0.122 4.619 4.740 0.003 0.000 0.186 139 N C 1.853 177.258 175.510 -0.176 0.000 1.023 139 N CA 1.676 54.661 53.050 -0.110 0.000 0.852 139 N CB -0.560 37.948 38.487 0.035 0.000 0.998 139 N HN 0.306 nan 8.380 nan 0.000 0.424 140 T N 1.794 116.233 114.554 -0.193 0.000 2.708 140 T HA -0.113 4.239 4.350 0.003 0.000 0.266 140 T C 1.955 176.439 174.700 -0.359 0.000 1.037 140 T CA 0.720 62.658 62.100 -0.270 0.000 1.146 140 T CB -0.406 68.276 68.868 -0.310 0.000 0.865 140 T HN 0.110 nan 8.240 nan 0.000 0.435 141 L N 1.575 122.524 121.223 -0.457 0.000 1.989 141 L HA -0.079 4.263 4.340 0.003 0.000 0.211 141 L C 2.348 178.677 176.870 -0.901 0.000 1.071 141 L CA 2.029 56.452 54.840 -0.696 0.000 0.749 141 L CB -0.633 40.874 42.059 -0.920 0.000 0.890 141 L HN 0.111 nan 8.230 nan 0.000 0.431 142 K N -0.371 119.455 120.400 -0.957 0.000 2.009 142 K HA -0.287 4.034 4.320 0.003 0.000 0.210 142 K C 2.367 178.789 176.600 -0.297 0.000 1.049 142 K CA 2.075 57.956 56.287 -0.677 0.000 0.929 142 K CB -0.269 32.062 32.500 -0.283 0.000 0.714 142 K HN 0.346 nan 8.250 nan 0.000 0.440 143 K N -0.248 120.007 120.400 -0.242 0.000 2.044 143 K HA -0.150 4.171 4.320 0.003 0.000 0.210 143 K C 1.849 178.324 176.600 -0.209 0.000 1.049 143 K CA 2.205 58.399 56.287 -0.155 0.000 0.927 143 K CB -0.164 32.257 32.500 -0.131 0.000 0.713 143 K HN 0.190 nan 8.250 nan 0.000 0.443 144 T N 0.369 114.726 114.554 -0.329 0.000 2.737 144 T HA -0.102 4.250 4.350 0.003 0.000 0.265 144 T C 1.868 176.270 174.700 -0.495 0.000 1.038 144 T CA 1.377 63.219 62.100 -0.430 0.000 1.144 144 T CB -0.161 68.360 68.868 -0.578 0.000 0.866 144 T HN -0.000 nan 8.240 nan 0.000 0.434 145 V N 1.327 120.951 119.914 -0.483 0.000 2.295 145 V HA -0.157 3.964 4.120 0.003 0.000 0.246 145 V C 2.693 178.730 176.094 -0.096 0.000 1.049 145 V CA 1.404 63.547 62.300 -0.262 0.000 1.024 145 V CB -0.722 31.044 31.823 -0.096 0.000 0.648 145 V HN 0.303 nan 8.190 nan 0.000 0.447 146 V N -0.085 119.793 119.914 -0.059 0.000 2.287 146 V HA -0.289 3.833 4.120 0.003 0.000 0.248 146 V C 2.413 178.473 176.094 -0.057 0.000 1.053 146 V CA 2.208 64.507 62.300 -0.002 0.000 1.027 146 V CB -0.732 31.159 31.823 0.113 0.000 0.646 146 V HN 0.633 nan 8.190 nan 0.000 0.447 147 E N -0.047 120.100 120.200 -0.089 0.000 2.110 147 E HA -0.215 4.136 4.350 0.003 0.000 0.193 147 E C 2.410 178.981 176.600 -0.049 0.000 0.988 147 E CA 1.490 57.833 56.400 -0.096 0.000 0.804 147 E CB -0.270 29.376 29.700 -0.089 0.000 0.745 147 E HN 0.567 nan 8.360 nan 0.000 0.458 148 S N 0.688 116.371 115.700 -0.029 0.000 2.356 148 S HA -0.179 4.292 4.470 0.003 0.000 0.223 148 S C 2.163 176.787 174.600 0.040 0.000 1.032 148 S CA 1.269 59.505 58.200 0.060 0.000 1.005 148 S CB -0.157 63.160 63.200 0.195 0.000 0.867 148 S HN 0.321 nan 8.310 nan 0.000 0.449 149 A N 1.205 124.028 122.820 0.005 0.000 1.933 149 A HA 0.036 4.358 4.320 0.003 0.000 0.218 149 A C 2.141 179.691 177.584 -0.056 0.000 1.175 149 A CA 1.439 53.459 52.037 -0.029 0.000 0.628 149 A CB -0.774 18.190 19.000 -0.061 0.000 0.814 149 A HN 0.641 nan 8.150 nan 0.000 0.444 150 I N -0.020 120.514 120.570 -0.061 0.000 2.127 150 I HA -0.299 3.872 4.170 0.003 0.000 0.241 150 I C 2.243 178.397 176.117 0.063 0.000 1.075 150 I CA 1.528 62.814 61.300 -0.024 0.000 1.334 150 I CB -0.476 37.399 38.000 -0.209 0.000 1.040 150 I HN 0.291 nan 8.210 nan 0.000 0.405 151 N N 0.919 119.651 118.700 0.053 0.000 2.084 151 N HA -0.188 4.554 4.740 0.003 0.000 0.190 151 N C 1.429 176.979 175.510 0.067 0.000 1.030 151 N CA 1.472 54.590 53.050 0.112 0.000 0.849 151 N CB -0.508 38.077 38.487 0.162 0.000 1.012 151 N HN 0.288 nan 8.380 nan 0.000 0.423 152 D N -0.481 119.945 120.400 0.044 0.000 2.149 152 D HA -0.080 4.562 4.640 0.003 0.000 0.198 152 D C 1.681 177.977 176.300 -0.006 0.000 0.990 152 D CA 1.121 55.132 54.000 0.018 0.000 0.839 152 D CB -0.572 40.232 40.800 0.007 0.000 0.948 152 D HN 0.282 nan 8.370 nan 0.000 0.460 153 T N 0.826 115.384 114.554 0.006 0.000 2.737 153 T HA -0.026 4.326 4.350 0.003 0.000 0.265 153 T C 2.242 177.054 174.700 0.187 0.000 1.038 153 T CA 0.484 62.612 62.100 0.046 0.000 1.144 153 T CB -0.262 68.562 68.868 -0.073 0.000 0.866 153 T HN 0.113 nan 8.240 nan 0.000 0.434 154 L N 0.974 122.290 121.223 0.154 0.000 2.046 154 L HA -0.087 4.255 4.340 0.003 0.000 0.208 154 L C 2.603 179.401 176.870 -0.120 0.000 1.077 154 L CA 1.343 56.177 54.840 -0.010 0.000 0.747 154 L CB -0.639 41.182 42.059 -0.397 0.000 0.896 154 L HN 0.321 nan 8.230 nan 0.000 0.432 155 E N -0.850 119.274 120.200 -0.126 0.000 2.418 155 E HA -0.146 4.206 4.350 0.003 0.000 0.197 155 E C 2.157 178.733 176.600 -0.041 0.000 1.026 155 E CA 0.935 57.303 56.400 -0.053 0.000 0.862 155 E CB 0.044 29.758 29.700 0.023 0.000 0.799 155 E HN 0.360 nan 8.360 nan 0.000 0.518 156 S N -0.197 115.455 115.700 -0.080 0.000 2.387 156 S HA -0.023 4.448 4.470 0.003 0.000 0.221 156 S C 1.571 176.036 174.600 -0.225 0.000 1.041 156 S CA 0.309 58.392 58.200 -0.194 0.000 0.959 156 S CB -0.006 62.991 63.200 -0.339 0.000 0.843 156 S HN 0.131 nan 8.310 nan 0.000 0.488 157 F N 1.502 121.447 119.950 -0.009 0.000 2.187 157 F HA 0.351 4.880 4.527 0.003 0.000 0.295 157 F C 1.853 177.614 175.800 -0.065 0.000 1.091 157 F CA 0.774 58.752 58.000 -0.037 0.000 1.308 157 F CB -0.463 38.465 39.000 -0.120 0.000 1.030 157 F HN 0.126 nan 8.300 nan 0.000 0.487 158 R N 0.014 120.572 120.500 0.098 0.000 3.853 158 R HA -0.290 4.051 4.340 0.003 0.000 0.440 158 R C 1.750 178.066 176.300 0.028 0.000 0.241 158 R CA 1.718 57.841 56.100 0.039 0.000 1.395 158 R CB -1.381 28.946 30.300 0.045 0.000 0.984 158 R HN 0.334 nan 8.270 nan 0.000 0.570 159 E N 1.533 121.759 120.200 0.042 0.000 2.265 159 E HA -0.155 4.197 4.350 0.003 0.000 0.196 159 E C 1.121 177.738 176.600 0.028 0.000 0.996 159 E CA 1.516 57.936 56.400 0.033 0.000 0.832 159 E CB -0.399 29.328 29.700 0.045 0.000 0.756 159 E HN 0.376 nan 8.360 nan 0.000 0.491 160 N N 0.625 119.358 118.700 0.055 0.000 2.443 160 N HA -0.078 4.664 4.740 0.003 0.000 0.184 160 N C 1.356 176.823 175.510 -0.071 0.000 1.037 160 N CA 0.372 53.470 53.050 0.079 0.000 0.896 160 N CB -0.172 38.441 38.487 0.211 0.000 0.959 160 N HN 0.110 nan 8.380 nan 0.000 0.442 161 L N 0.917 122.013 121.223 -0.211 0.000 2.275 161 L HA -0.026 4.315 4.340 0.003 0.000 0.215 161 L C 1.458 178.250 176.870 -0.130 0.000 1.119 161 L CA 1.181 55.796 54.840 -0.375 0.000 0.790 161 L CB -0.987 40.898 42.059 -0.290 0.000 0.919 161 L HN 0.201 nan 8.230 nan 0.000 0.443 162 N N 0.117 118.785 118.700 -0.053 0.000 2.331 162 N HA -0.050 4.692 4.740 0.003 0.000 0.180 162 N C 0.102 175.635 175.510 0.038 0.000 1.019 162 N CA 0.747 53.788 53.050 -0.016 0.000 0.881 162 N CB -0.024 38.458 38.487 -0.009 0.000 0.972 162 N HN 0.496 nan 8.380 nan 0.000 0.435 163 D N -1.230 119.217 120.400 0.079 0.000 2.857 163 D HA 0.314 4.956 4.640 0.003 0.000 0.227 163 D C -2.581 173.822 176.300 0.171 0.000 1.192 163 D CA -1.576 52.488 54.000 0.105 0.000 0.857 163 D CB 2.310 43.155 40.800 0.074 0.000 1.645 163 D HN -0.167 nan 8.370 nan 0.000 0.482 164 P HA 0.214 nan 4.420 nan 0.000 0.223 164 P C -0.274 177.098 177.300 0.121 0.000 1.128 164 P CA 0.087 63.248 63.100 0.101 0.000 0.664 164 P CB 0.208 31.951 31.700 0.072 0.000 0.973 165 R N -0.218 120.344 120.500 0.105 0.000 2.878 165 R HA 0.218 4.560 4.340 0.003 0.000 0.239 165 R C -0.121 176.269 176.300 0.149 0.000 1.515 165 R CA -0.334 55.846 56.100 0.134 0.000 1.210 165 R CB -1.894 28.463 30.300 0.095 0.000 1.209 165 R HN 0.198 nan 8.270 nan 0.000 0.610 166 F N 2.303 122.280 119.950 0.044 0.000 2.623 166 F HA -0.129 4.400 4.527 0.003 0.000 0.386 166 F C 0.725 176.508 175.800 -0.029 0.000 1.068 166 F CA -0.210 57.791 58.000 0.002 0.000 1.265 166 F CB 0.312 39.315 39.000 0.004 0.000 1.026 166 F HN 0.388 nan 8.300 nan 0.000 0.568 167 D N 6.379 126.311 120.400 -0.779 0.000 2.346 167 D HA -0.085 4.556 4.640 0.003 0.000 0.267 167 D C 0.850 176.672 176.300 -0.796 0.000 1.320 167 D CA -0.009 53.609 54.000 -0.637 0.000 0.951 167 D CB -0.107 40.373 40.800 -0.533 0.000 1.079 167 D HN 0.561 nan 8.370 nan 0.000 0.509 168 Y N 3.207 123.260 120.300 -0.412 0.000 2.365 168 Y HA -0.187 4.365 4.550 0.003 0.000 0.287 168 Y C 1.444 177.223 175.900 -0.202 0.000 1.162 168 Y CA 0.959 58.740 58.100 -0.533 0.000 1.260 168 Y CB -0.669 37.542 38.460 -0.415 0.000 0.976 168 Y HN 0.277 nan 8.280 nan 0.000 0.548 169 N N 1.332 119.691 118.700 -0.570 0.000 2.223 169 N HA -0.152 4.589 4.740 0.003 0.000 0.185 169 N C 1.484 177.008 175.510 0.022 0.000 1.016 169 N CA 1.511 54.435 53.050 -0.210 0.000 0.863 169 N CB -0.187 38.142 38.487 -0.262 0.000 0.983 169 N HN 0.562 nan 8.380 nan 0.000 0.429 170 K N 0.261 120.561 120.400 -0.167 0.000 2.063 170 K HA -0.135 4.187 4.320 0.003 0.000 0.208 170 K C 1.888 178.616 176.600 0.212 0.000 1.048 170 K CA 0.922 57.195 56.287 -0.023 0.000 0.928 170 K CB -0.274 32.035 32.500 -0.318 0.000 0.713 170 K HN 0.088 nan 8.250 nan 0.000 0.442 171 F N 0.766 120.678 119.950 -0.062 0.000 2.046 171 F HA -0.239 4.290 4.527 0.003 0.000 0.297 171 F C 1.729 177.562 175.800 0.056 0.000 1.123 171 F CA 1.596 59.588 58.000 -0.015 0.000 1.199 171 F CB -0.367 38.406 39.000 -0.379 0.000 0.972 171 F HN -0.102 nan 8.300 nan 0.000 0.474 172 F N 0.476 120.521 119.950 0.158 0.000 2.293 172 F HA -0.051 4.478 4.527 0.003 0.000 0.300 172 F C 2.561 178.512 175.800 0.252 0.000 1.086 172 F CA 1.256 59.309 58.000 0.089 0.000 1.375 172 F CB -0.680 38.300 39.000 -0.032 0.000 1.045 172 F HN -0.134 nan 8.300 nan 0.000 0.516 173 R N 0.255 121.049 120.500 0.490 0.000 2.070 173 R HA -0.194 4.148 4.340 0.003 0.000 0.232 173 R C 2.257 178.666 176.300 0.183 0.000 1.138 173 R CA 1.719 58.048 56.100 0.381 0.000 0.936 173 R CB -0.377 30.110 30.300 0.313 0.000 0.839 173 R HN 0.030 nan 8.270 nan 0.000 0.429 174 K N 1.028 121.532 120.400 0.173 0.000 2.057 174 K HA -0.151 4.171 4.320 0.003 0.000 0.207 174 K C 1.976 178.547 176.600 -0.048 0.000 1.049 174 K CA 1.519 57.858 56.287 0.086 0.000 0.931 174 K CB -0.209 32.384 32.500 0.154 0.000 0.714 174 K HN -0.024 nan 8.250 nan 0.000 0.440 175 R N -0.460 119.939 120.500 -0.169 0.000 2.120 175 R HA -0.125 4.217 4.340 0.003 0.000 0.234 175 R C 2.106 178.316 176.300 -0.149 0.000 1.123 175 R CA 1.664 57.614 56.100 -0.249 0.000 0.975 175 R CB -0.236 29.749 30.300 -0.525 0.000 0.866 175 R HN 0.271 nan 8.270 nan 0.000 0.446 176 M N 1.278 120.813 119.600 -0.108 0.000 2.159 176 M HA -0.127 4.355 4.480 0.003 0.000 0.263 176 M C 1.415 177.442 176.300 -0.454 0.000 1.063 176 M CA 1.776 56.895 55.300 -0.302 0.000 1.110 176 M CB -0.022 32.319 32.600 -0.430 0.000 1.374 176 M HN 0.126 nan 8.290 nan 0.000 0.411 177 E N -0.384 119.654 120.200 -0.270 0.000 2.077 177 E HA -0.186 4.166 4.350 0.003 0.000 0.193 177 E C 2.009 178.606 176.600 -0.006 0.000 0.989 177 E CA 1.695 58.050 56.400 -0.074 0.000 0.800 177 E CB -0.301 29.433 29.700 0.055 0.000 0.746 177 E HN 0.563 nan 8.360 nan 0.000 0.452 178 I N 0.671 121.211 120.570 -0.050 0.000 2.286 178 I HA -0.222 3.950 4.170 0.003 0.000 0.245 178 I C 2.296 178.387 176.117 -0.043 0.000 1.104 178 I CA 0.781 62.065 61.300 -0.027 0.000 1.397 178 I CB -0.137 37.838 38.000 -0.042 0.000 1.072 178 I HN 0.084 nan 8.210 nan 0.000 0.417 179 I N -0.043 120.452 120.570 -0.125 0.000 2.163 179 I HA -0.370 3.802 4.170 0.003 0.000 0.243 179 I C 2.644 178.643 176.117 -0.196 0.000 1.085 179 I CA 1.765 62.941 61.300 -0.207 0.000 1.347 179 I CB -0.504 37.227 38.000 -0.447 0.000 1.044 179 I HN 0.201 nan 8.210 nan 0.000 0.408 180 Y N 1.988 122.121 120.300 -0.278 0.000 2.114 180 Y HA -0.355 4.197 4.550 0.003 0.000 0.282 180 Y C 2.223 178.093 175.900 -0.051 0.000 1.165 180 Y CA 2.011 60.016 58.100 -0.159 0.000 1.148 180 Y CB -0.343 38.098 38.460 -0.032 0.000 0.972 180 Y HN 0.220 nan 8.280 nan 0.000 0.504 181 D N -0.128 120.290 120.400 0.030 0.000 2.117 181 D HA -0.158 4.483 4.640 0.003 0.000 0.197 181 D C 2.060 178.355 176.300 -0.009 0.000 0.987 181 D CA 1.641 55.649 54.000 0.013 0.000 0.829 181 D CB -0.171 40.676 40.800 0.079 0.000 0.961 181 D HN 0.393 nan 8.370 nan 0.000 0.460 182 K N 0.259 120.680 120.400 0.036 0.000 2.057 182 K HA -0.113 4.209 4.320 0.003 0.000 0.206 182 K C 2.173 178.887 176.600 0.190 0.000 1.050 182 K CA 0.736 57.120 56.287 0.162 0.000 0.935 182 K CB -0.089 32.544 32.500 0.220 0.000 0.715 182 K HN 0.114 nan 8.250 nan 0.000 0.439 183 Q N 1.538 121.346 119.800 0.014 0.000 2.096 183 Q HA -0.242 4.099 4.340 0.003 0.000 0.204 183 Q C 2.105 178.012 176.000 -0.156 0.000 0.982 183 Q CA 1.775 57.484 55.803 -0.157 0.000 0.850 183 Q CB 0.053 28.415 28.738 -0.626 0.000 0.901 183 Q HN 0.146 nan 8.270 nan 0.000 0.422 184 K N 0.467 120.688 120.400 -0.298 0.000 2.026 184 K HA -0.210 4.112 4.320 0.003 0.000 0.208 184 K C 2.026 178.595 176.600 -0.052 0.000 1.048 184 K CA 1.555 57.684 56.287 -0.263 0.000 0.929 184 K CB -0.283 31.983 32.500 -0.388 0.000 0.713 184 K HN 0.220 nan 8.250 nan 0.000 0.439 185 N N 0.093 118.819 118.700 0.044 0.000 2.060 185 N HA -0.246 4.496 4.740 0.003 0.000 0.195 185 N C 1.795 177.437 175.510 0.220 0.000 1.028 185 N CA 1.900 55.052 53.050 0.170 0.000 0.861 185 N CB -0.232 38.410 38.487 0.259 0.000 1.029 185 N HN 0.306 nan 8.380 nan 0.000 0.428 186 F N 1.407 121.375 119.950 0.031 0.000 2.128 186 F HA 0.057 4.585 4.527 0.002 0.000 0.295 186 F C 2.334 178.125 175.800 -0.016 0.000 1.100 186 F CA 0.810 58.662 58.000 -0.247 0.000 1.260 186 F CB -0.452 38.331 39.000 -0.362 0.000 1.009 186 F HN -0.024 nan 8.300 nan 0.000 0.476 187 I N 0.822 121.314 120.570 -0.130 0.000 2.163 187 I HA -0.384 3.787 4.170 0.003 0.000 0.243 187 I C 2.088 178.121 176.117 -0.140 0.000 1.085 187 I CA 1.473 62.655 61.300 -0.195 0.000 1.347 187 I CB -0.764 37.173 38.000 -0.105 0.000 1.044 187 I HN 0.205 nan 8.210 nan 0.000 0.408 188 N N 0.278 118.940 118.700 -0.064 0.000 2.094 188 N HA -0.262 4.480 4.740 0.003 0.000 0.191 188 N C 1.800 177.306 175.510 -0.007 0.000 1.023 188 N CA 1.529 54.569 53.050 -0.016 0.000 0.857 188 N CB -0.579 37.926 38.487 0.030 0.000 1.013 188 N HN 0.425 nan 8.380 nan 0.000 0.426 189 Y N 0.289 120.512 120.300 -0.127 0.000 2.200 189 Y HA -0.217 4.334 4.550 0.003 0.000 0.290 189 Y C 2.437 178.232 175.900 -0.175 0.000 1.137 189 Y CA 1.261 59.306 58.100 -0.092 0.000 1.163 189 Y CB -0.734 37.742 38.460 0.026 0.000 0.988 189 Y HN 0.104 nan 8.280 nan 0.000 0.518 190 Y N 1.213 121.205 120.300 -0.513 0.000 2.128 190 Y HA -0.234 4.318 4.550 0.002 0.000 0.284 190 Y C 2.252 177.944 175.900 -0.347 0.000 1.154 190 Y CA 2.342 60.125 58.100 -0.529 0.000 1.149 190 Y CB -0.360 37.696 38.460 -0.673 0.000 0.976 190 Y HN 0.024 nan 8.280 nan 0.000 0.505 191 K N -0.155 120.122 120.400 -0.204 0.000 2.097 191 K HA -0.117 4.204 4.320 0.003 0.000 0.205 191 K C 2.324 178.776 176.600 -0.247 0.000 1.050 191 K CA 0.992 57.155 56.287 -0.206 0.000 0.938 191 K CB -0.345 32.112 32.500 -0.071 0.000 0.718 191 K HN 0.419 nan 8.250 nan 0.000 0.442 192 A N 1.421 124.100 122.820 -0.237 0.000 1.898 192 A HA -0.172 4.149 4.320 0.003 0.000 0.216 192 A C 2.110 179.524 177.584 -0.284 0.000 1.181 192 A CA 1.173 53.084 52.037 -0.210 0.000 0.620 192 A CB -0.242 18.668 19.000 -0.151 0.000 0.819 192 A HN 0.178 nan 8.150 nan 0.000 0.442 193 Q N -0.526 119.007 119.800 -0.445 0.000 2.079 193 Q HA -0.094 4.248 4.340 0.003 0.000 0.200 193 Q C 2.196 177.986 176.000 -0.349 0.000 0.974 193 Q CA 0.943 56.485 55.803 -0.435 0.000 0.840 193 Q CB -0.384 27.991 28.738 -0.605 0.000 0.898 193 Q HN 0.473 nan 8.270 nan 0.000 0.430 194 R N 0.839 121.071 120.500 -0.447 0.000 2.096 194 R HA -0.091 4.251 4.340 0.003 0.000 0.235 194 R C 1.813 177.976 176.300 -0.228 0.000 1.127 194 R CA 0.939 56.812 56.100 -0.380 0.000 0.968 194 R CB -0.241 29.751 30.300 -0.513 0.000 0.861 194 R HN 0.444 nan 8.270 nan 0.000 0.440 195 E N 0.046 120.123 120.200 -0.204 0.000 2.385 195 E HA -0.098 4.254 4.350 0.003 0.000 0.194 195 E C 1.545 178.079 176.600 -0.110 0.000 1.013 195 E CA 0.226 56.545 56.400 -0.135 0.000 0.866 195 E CB 0.332 29.962 29.700 -0.116 0.000 0.832 195 E HN 0.368 nan 8.360 nan 0.000 0.500 196 E N 0.307 120.430 120.200 -0.128 0.000 2.166 196 E HA -0.063 4.288 4.350 0.003 0.000 0.192 196 E C 0.335 176.885 176.600 -0.083 0.000 0.967 196 E CA 0.300 56.642 56.400 -0.097 0.000 0.840 196 E CB 0.457 30.095 29.700 -0.104 0.000 0.795 196 E HN -0.078 nan 8.360 nan 0.000 0.470 197 N N 0.012 118.651 118.700 -0.102 0.000 2.675 197 N HA 0.175 4.917 4.740 0.003 0.000 0.254 197 N C -2.534 172.923 175.510 -0.088 0.000 1.224 197 N CA -1.820 51.184 53.050 -0.077 0.000 0.777 197 N CB 1.547 39.996 38.487 -0.062 0.000 1.256 197 N HN -0.119 nan 8.380 nan 0.000 0.531 198 P HA 0.017 nan 4.420 nan 0.000 0.230 198 P C 0.564 177.838 177.300 -0.044 0.000 1.158 198 P CA 0.862 63.919 63.100 -0.072 0.000 0.769 198 P CB 0.487 32.154 31.700 -0.055 0.000 0.807 199 E N -0.624 119.558 120.200 -0.030 0.000 2.274 199 E HA -0.012 4.340 4.350 0.003 0.000 0.194 199 E C 0.475 177.077 176.600 0.004 0.000 0.996 199 E CA 0.008 56.404 56.400 -0.007 0.000 0.840 199 E CB -0.217 29.483 29.700 -0.000 0.000 0.772 199 E HN 0.304 nan 8.360 nan 0.000 0.491 200 L N 2.551 123.765 121.223 -0.014 0.000 2.499 200 L HA 0.091 4.433 4.340 0.003 0.000 0.273 200 L C 0.629 177.519 176.870 0.033 0.000 1.195 200 L CA -0.175 54.667 54.840 0.005 0.000 0.882 200 L CB 0.103 42.142 42.059 -0.032 0.000 1.133 200 L HN 0.125 nan 8.230 nan 0.000 0.483 201 I N 0.216 120.837 120.570 0.084 0.000 2.677 201 I HA 0.223 4.395 4.170 0.003 0.000 0.305 201 I C 1.303 177.536 176.117 0.194 0.000 0.988 201 I CA -0.602 60.777 61.300 0.131 0.000 1.260 201 I CB 1.003 39.083 38.000 0.133 0.000 1.410 201 I HN 0.549 nan 8.210 nan 0.000 0.523 202 I N 1.538 122.265 120.570 0.262 0.000 2.113 202 I HA -0.324 3.848 4.170 0.003 0.000 0.242 202 I C 1.838 178.129 176.117 0.290 0.000 1.057 202 I CA 2.001 63.508 61.300 0.344 0.000 1.314 202 I CB -0.491 37.654 38.000 0.241 0.000 1.022 202 I HN 0.748 nan 8.210 nan 0.000 0.408 203 D N 0.406 120.941 120.400 0.225 0.000 2.178 203 D HA -0.154 4.487 4.640 0.003 0.000 0.202 203 D C 1.810 178.247 176.300 0.227 0.000 0.974 203 D CA 1.048 55.182 54.000 0.224 0.000 0.841 203 D CB -0.344 40.595 40.800 0.231 0.000 0.953 203 D HN 0.333 nan 8.370 nan 0.000 0.478 204 D N 0.167 120.691 120.400 0.207 0.000 2.097 204 D HA -0.097 4.544 4.640 0.003 0.000 0.195 204 D C 2.280 178.722 176.300 0.237 0.000 0.989 204 D CA 0.519 54.633 54.000 0.189 0.000 0.827 204 D CB -0.205 40.682 40.800 0.145 0.000 0.966 204 D HN 0.279 nan 8.370 nan 0.000 0.456 205 I N 0.369 121.103 120.570 0.273 0.000 2.252 205 I HA -0.207 3.965 4.170 0.003 0.000 0.245 205 I C 2.438 178.879 176.117 0.540 0.000 1.102 205 I CA 0.494 62.020 61.300 0.377 0.000 1.385 205 I CB -0.029 38.160 38.000 0.315 0.000 1.064 205 I HN -0.125 nan 8.210 nan 0.000 0.414 206 V N 1.897 122.091 119.914 0.467 0.000 2.270 206 V HA -0.287 3.834 4.120 0.003 0.000 0.245 206 V C 2.551 178.843 176.094 0.329 0.000 1.043 206 V CA 2.264 64.820 62.300 0.426 0.000 1.014 206 V CB -0.839 31.115 31.823 0.218 0.000 0.645 206 V HN 0.535 nan 8.190 nan 0.000 0.447 207 K N -0.141 120.407 120.400 0.248 0.000 2.097 207 K HA -0.185 4.137 4.320 0.003 0.000 0.206 207 K C 1.971 178.688 176.600 0.195 0.000 1.049 207 K CA 2.061 58.460 56.287 0.187 0.000 0.933 207 K CB -0.793 31.799 32.500 0.154 0.000 0.717 207 K HN 0.408 nan 8.250 nan 0.000 0.442 208 T N 0.666 115.370 114.554 0.249 0.000 2.708 208 T HA -0.181 4.170 4.350 0.003 0.000 0.266 208 T C 1.497 176.309 174.700 0.186 0.000 1.037 208 T CA 1.442 63.677 62.100 0.225 0.000 1.146 208 T CB -0.488 68.554 68.868 0.291 0.000 0.865 208 T HN 0.360 nan 8.240 nan 0.000 0.435 209 Y N 1.566 121.948 120.300 0.137 0.000 2.128 209 Y HA -0.127 4.424 4.550 0.003 0.000 0.284 209 Y C 2.059 178.000 175.900 0.069 0.000 1.154 209 Y CA 1.251 59.349 58.100 -0.003 0.000 1.149 209 Y CB -0.426 38.164 38.460 0.217 0.000 0.976 209 Y HN 0.123 nan 8.280 nan 0.000 0.505 210 L N -1.219 120.145 121.223 0.235 0.000 2.093 210 L HA -0.225 4.117 4.340 0.003 0.000 0.208 210 L C 2.803 179.711 176.870 0.063 0.000 1.085 210 L CA 1.562 56.499 54.840 0.162 0.000 0.755 210 L CB -0.733 41.392 42.059 0.109 0.000 0.904 210 L HN 0.227 nan 8.230 nan 0.000 0.435 211 S N 0.042 115.764 115.700 0.037 0.000 2.355 211 S HA -0.153 4.319 4.470 0.003 0.000 0.222 211 S C 1.840 176.401 174.600 -0.066 0.000 1.031 211 S CA 1.468 59.669 58.200 0.002 0.000 0.993 211 S CB -0.152 63.064 63.200 0.027 0.000 0.859 211 S HN 0.424 nan 8.310 nan 0.000 0.453 212 N N 1.364 119.992 118.700 -0.120 0.000 2.084 212 N HA -0.040 4.701 4.740 0.003 0.000 0.190 212 N C 1.718 177.051 175.510 -0.296 0.000 1.030 212 N CA 1.383 54.315 53.050 -0.197 0.000 0.849 212 N CB -0.435 37.902 38.487 -0.249 0.000 1.012 212 N HN 0.494 nan 8.380 nan 0.000 0.423 213 E N -0.840 119.092 120.200 -0.447 0.000 2.276 213 E HA 0.046 4.398 4.350 0.003 0.000 0.193 213 E C 0.518 176.647 176.600 -0.784 0.000 0.983 213 E CA 0.551 56.552 56.400 -0.665 0.000 0.861 213 E CB 0.102 29.209 29.700 -0.988 0.000 0.817 213 E HN 0.484 nan 8.360 nan 0.000 0.485 214 Y N -0.028 120.162 120.300 -0.183 0.000 2.675 214 Y HA 0.180 4.732 4.550 0.003 0.000 0.248 214 Y C 0.282 176.130 175.900 -0.087 0.000 1.161 214 Y CA -0.340 57.691 58.100 -0.114 0.000 1.203 214 Y CB 0.591 38.993 38.460 -0.097 0.000 1.262 214 Y HN -0.210 nan 8.280 nan 0.000 0.544 215 S N 0.984 116.670 115.700 -0.024 0.000 3.559 215 S HA -0.181 4.290 4.470 0.003 0.000 0.369 215 S C 0.040 174.645 174.600 0.008 0.000 0.987 215 S CA 0.492 58.680 58.200 -0.019 0.000 1.187 215 S CB -1.064 62.117 63.200 -0.032 0.000 0.914 215 S HN 0.225 nan 8.310 nan 0.000 0.480 216 K N 1.761 122.175 120.400 0.023 0.000 2.154 216 K HA 0.280 4.602 4.320 0.003 0.000 0.264 216 K C 0.549 177.156 176.600 0.012 0.000 1.008 216 K CA -0.321 55.975 56.287 0.015 0.000 0.937 216 K CB 0.416 32.925 32.500 0.016 0.000 1.002 216 K HN 0.249 nan 8.250 nan 0.000 0.469 217 E N 2.529 122.733 120.200 0.008 0.000 2.105 217 E HA 0.024 4.375 4.350 0.003 0.000 0.285 217 E C 1.170 177.785 176.600 0.026 0.000 1.055 217 E CA -0.190 56.218 56.400 0.014 0.000 0.843 217 E CB 0.687 30.393 29.700 0.010 0.000 1.067 217 E HN 0.527 nan 8.360 nan 0.000 0.398 218 I N 1.312 121.903 120.570 0.036 0.000 2.493 218 I HA -0.202 3.969 4.170 0.003 0.000 0.254 218 I C 1.088 177.238 176.117 0.056 0.000 1.160 218 I CA 1.413 62.745 61.300 0.054 0.000 1.445 218 I CB 0.111 38.151 38.000 0.065 0.000 1.086 218 I HN 0.156 nan 8.210 nan 0.000 0.433 219 D N 1.437 121.863 120.400 0.044 0.000 2.104 219 D HA -0.203 4.439 4.640 0.003 0.000 0.194 219 D C 2.121 178.450 176.300 0.048 0.000 0.994 219 D CA 1.843 55.869 54.000 0.043 0.000 0.830 219 D CB -0.169 40.650 40.800 0.032 0.000 0.959 219 D HN 0.592 nan 8.370 nan 0.000 0.452 220 E N -0.109 120.116 120.200 0.040 0.000 2.047 220 E HA -0.100 4.251 4.350 0.003 0.000 0.191 220 E C 2.378 179.019 176.600 0.068 0.000 0.987 220 E CA 0.444 56.870 56.400 0.043 0.000 0.799 220 E CB -0.116 29.596 29.700 0.020 0.000 0.752 220 E HN 0.240 nan 8.360 nan 0.000 0.449 221 L N 1.325 122.582 121.223 0.056 0.000 2.043 221 L HA -0.253 4.089 4.340 0.003 0.000 0.212 221 L C 2.154 179.115 176.870 0.153 0.000 1.075 221 L CA 0.898 55.790 54.840 0.087 0.000 0.752 221 L CB -0.623 41.475 42.059 0.066 0.000 0.891 221 L HN 0.146 nan 8.230 nan 0.000 0.432 222 N N -0.404 118.366 118.700 0.116 0.000 2.069 222 N HA -0.156 4.586 4.740 0.003 0.000 0.191 222 N C 1.863 177.429 175.510 0.093 0.000 1.031 222 N CA 1.983 55.098 53.050 0.109 0.000 0.852 222 N CB -0.650 37.887 38.487 0.083 0.000 1.018 222 N HN 0.286 nan 8.380 nan 0.000 0.423 223 T N -0.087 114.517 114.554 0.083 0.000 2.788 223 T HA -0.149 4.203 4.350 0.003 0.000 0.268 223 T C 1.713 176.451 174.700 0.062 0.000 1.044 223 T CA 0.907 63.042 62.100 0.058 0.000 1.139 223 T CB -0.433 68.465 68.868 0.050 0.000 0.867 223 T HN 0.343 nan 8.240 nan 0.000 0.454 224 Y N 1.507 121.790 120.300 -0.027 0.000 2.200 224 Y HA -0.068 4.484 4.550 0.003 0.000 0.290 224 Y C 2.000 177.832 175.900 -0.113 0.000 1.137 224 Y CA 0.910 58.979 58.100 -0.052 0.000 1.163 224 Y CB -0.423 38.025 38.460 -0.020 0.000 0.988 224 Y HN 0.135 nan 8.280 nan 0.000 0.518 225 I N 0.408 121.004 120.570 0.044 0.000 2.163 225 I HA -0.334 3.838 4.170 0.003 0.000 0.243 225 I C 2.332 178.285 176.117 -0.273 0.000 1.085 225 I CA 1.880 63.119 61.300 -0.103 0.000 1.347 225 I CB -0.454 37.647 38.000 0.167 0.000 1.044 225 I HN 0.320 nan 8.210 nan 0.000 0.408 226 E N 0.503 120.632 120.200 -0.117 0.000 2.049 226 E HA -0.288 4.064 4.350 0.003 0.000 0.198 226 E C 2.139 178.617 176.600 -0.204 0.000 1.007 226 E CA 1.717 58.050 56.400 -0.110 0.000 0.809 226 E CB -0.116 29.559 29.700 -0.042 0.000 0.749 226 E HN 0.530 nan 8.360 nan 0.000 0.450 227 E N 0.172 120.230 120.200 -0.237 0.000 2.047 227 E HA -0.117 4.235 4.350 0.003 0.000 0.191 227 E C 2.267 178.634 176.600 -0.389 0.000 0.987 227 E CA 1.152 57.400 56.400 -0.254 0.000 0.799 227 E CB 0.071 29.652 29.700 -0.198 0.000 0.752 227 E HN 0.063 nan 8.360 nan 0.000 0.449 228 S N 1.303 116.620 115.700 -0.638 0.000 2.359 228 S HA -0.199 4.273 4.470 0.003 0.000 0.224 228 S C 1.978 176.118 174.600 -0.767 0.000 1.035 228 S CA 1.014 58.729 58.200 -0.809 0.000 1.018 228 S CB -0.340 62.105 63.200 -1.258 0.000 0.876 228 S HN 0.149 nan 8.310 nan 0.000 0.448 229 L N 2.610 123.351 121.223 -0.803 0.000 2.017 229 L HA -0.094 4.248 4.340 0.003 0.000 0.208 229 L C 1.722 178.454 176.870 -0.231 0.000 1.073 229 L CA 1.761 56.377 54.840 -0.373 0.000 0.745 229 L CB -0.934 41.080 42.059 -0.076 0.000 0.894 229 L HN 0.105 nan 8.230 nan 0.000 0.432 230 N N -0.051 118.525 118.700 -0.205 0.000 2.084 230 N HA -0.213 4.528 4.740 0.003 0.000 0.190 230 N C 1.825 177.247 175.510 -0.148 0.000 1.030 230 N CA 1.503 54.472 53.050 -0.135 0.000 0.849 230 N CB -0.289 38.133 38.487 -0.108 0.000 1.012 230 N HN 0.410 nan 8.380 nan 0.000 0.423 231 K N 0.787 121.072 120.400 -0.191 0.000 2.026 231 K HA -0.014 4.307 4.320 0.003 0.000 0.208 231 K C 1.897 178.400 176.600 -0.162 0.000 1.048 231 K CA 1.007 57.194 56.287 -0.166 0.000 0.929 231 K CB -0.101 32.290 32.500 -0.181 0.000 0.713 231 K HN 0.114 nan 8.250 nan 0.000 0.439 232 I N 0.627 121.067 120.570 -0.217 0.000 2.315 232 I HA -0.219 3.953 4.170 0.003 0.000 0.248 232 I C 2.053 178.058 176.117 -0.186 0.000 1.117 232 I CA 1.195 62.359 61.300 -0.227 0.000 1.404 232 I CB -0.638 37.138 38.000 -0.374 0.000 1.071 232 I HN 0.200 nan 8.210 nan 0.000 0.419 233 T N 0.436 114.882 114.554 -0.179 0.000 2.737 233 T HA -0.199 4.152 4.350 0.003 0.000 0.269 233 T C 1.760 176.437 174.700 -0.038 0.000 1.040 233 T CA 1.214 63.280 62.100 -0.057 0.000 1.142 233 T CB -0.199 68.653 68.868 -0.026 0.000 0.861 233 T HN 0.322 nan 8.240 nan 0.000 0.456 234 Q N 0.839 120.602 119.800 -0.061 0.000 2.444 234 Q HA 0.153 4.495 4.340 0.003 0.000 0.206 234 Q C 0.526 176.496 176.000 -0.049 0.000 0.948 234 Q CA 0.464 56.237 55.803 -0.049 0.000 0.946 234 Q CB 0.120 28.824 28.738 -0.057 0.000 1.027 234 Q HN 0.503 nan 8.270 nan 0.000 0.513 235 N N 0.025 118.692 118.700 -0.055 0.000 2.642 235 N HA 0.080 4.821 4.740 0.003 0.000 0.308 235 N C -0.763 174.727 175.510 -0.033 0.000 1.914 235 N CA -0.078 52.938 53.050 -0.056 0.000 0.893 235 N CB 1.089 39.526 38.487 -0.083 0.000 1.322 235 N HN -0.137 nan 8.380 nan 0.000 0.490 236 S N -0.785 114.907 115.700 -0.013 0.000 3.476 236 S HA -0.153 4.318 4.470 0.003 0.000 0.309 236 S C 0.905 175.522 174.600 0.028 0.000 1.222 236 S CA 0.701 58.903 58.200 0.004 0.000 0.922 236 S CB -1.420 61.783 63.200 0.005 0.000 1.023 236 S HN 0.706 nan 8.310 nan 0.000 0.591 237 G N 1.357 110.195 108.800 0.063 0.000 2.414 237 G HA2 0.343 4.304 3.960 0.003 0.000 0.236 237 G HA3 0.343 4.304 3.960 0.003 0.000 0.236 237 G C -0.170 174.882 174.900 0.254 0.000 1.293 237 G CA 0.014 45.240 45.100 0.209 0.000 0.869 237 G HN 0.365 nan 8.290 nan 0.000 0.556 238 N N 1.034 119.864 118.700 0.216 0.000 2.480 238 N HA 0.142 4.884 4.740 0.003 0.000 0.289 238 N C -1.678 173.725 175.510 -0.178 0.000 1.073 238 N CA -0.673 52.317 53.050 -0.101 0.000 0.885 238 N CB 2.128 40.269 38.487 -0.575 0.000 1.421 238 N HN 0.382 nan 8.380 nan 0.000 0.503 239 D N 2.875 123.115 120.400 -0.266 0.000 2.343 239 D HA 0.086 4.728 4.640 0.003 0.000 0.255 239 D C 1.426 177.687 176.300 -0.064 0.000 1.187 239 D CA -0.217 53.480 54.000 -0.506 0.000 0.875 239 D CB 1.335 41.910 40.800 -0.377 0.000 1.136 239 D HN 0.258 nan 8.370 nan 0.000 0.469 240 V N 5.455 125.384 119.914 0.025 0.000 2.453 240 V HA -0.237 3.885 4.120 0.003 0.000 0.252 240 V C 2.283 178.476 176.094 0.165 0.000 1.068 240 V CA 1.486 63.912 62.300 0.209 0.000 1.070 240 V CB -0.427 31.496 31.823 0.166 0.000 0.664 240 V HN 0.569 nan 8.190 nan 0.000 0.461 241 R N 0.337 120.873 120.500 0.060 0.000 2.316 241 R HA 0.018 4.359 4.340 0.003 0.000 0.202 241 R C 1.298 177.614 176.300 0.027 0.000 1.029 241 R CA 0.503 56.629 56.100 0.044 0.000 1.018 241 R CB -0.480 29.843 30.300 0.039 0.000 0.888 241 R HN 0.552 nan 8.270 nan 0.000 0.471 242 N N -0.420 118.317 118.700 0.063 0.000 2.220 242 N HA -0.030 4.712 4.740 0.003 0.000 0.195 242 N C -0.258 175.345 175.510 0.155 0.000 1.123 242 N CA -0.022 53.071 53.050 0.072 0.000 0.874 242 N CB 0.184 38.700 38.487 0.048 0.000 0.995 242 N HN -0.020 nan 8.380 nan 0.000 0.498 243 F N 2.508 122.465 119.950 0.013 0.000 2.566 243 F HA 0.336 4.864 4.527 0.002 0.000 0.349 243 F C 1.514 177.295 175.800 -0.032 0.000 1.245 243 F CA -1.361 56.659 58.000 0.032 0.000 1.169 243 F CB -0.439 38.605 39.000 0.074 0.000 1.470 243 F HN -0.032 nan 8.300 nan 0.000 0.634 244 G N 3.678 112.615 108.800 0.228 0.000 2.440 244 G HA2 -0.288 3.674 3.960 0.003 0.000 0.218 244 G HA3 -0.288 3.674 3.960 0.003 0.000 0.218 244 G C 1.359 176.206 174.900 -0.089 0.000 1.154 244 G CA 0.747 45.853 45.100 0.010 0.000 0.767 244 G HN 0.532 nan 8.290 nan 0.000 0.552 245 E N -0.224 119.981 120.200 0.008 0.000 2.110 245 E HA -0.046 4.306 4.350 0.003 0.000 0.193 245 E C 1.955 178.370 176.600 -0.307 0.000 0.988 245 E CA 0.665 57.013 56.400 -0.086 0.000 0.804 245 E CB -0.340 29.412 29.700 0.087 0.000 0.745 245 E HN 0.418 nan 8.360 nan 0.000 0.458 246 F N 1.802 121.204 119.950 -0.913 0.000 2.084 246 F HA -0.073 4.455 4.527 0.002 0.000 0.296 246 F C 1.795 177.203 175.800 -0.654 0.000 1.111 246 F CA 1.392 58.803 58.000 -0.983 0.000 1.224 246 F CB -0.147 37.847 39.000 -1.677 0.000 0.991 246 F HN -0.195 nan 8.300 nan 0.000 0.471 247 K N -0.048 119.802 120.400 -0.917 0.000 2.089 247 K HA -0.235 4.087 4.320 0.003 0.000 0.210 247 K C 1.353 177.445 176.600 -0.847 0.000 1.048 247 K CA 1.779 57.244 56.287 -1.369 0.000 0.926 247 K CB -0.401 31.560 32.500 -0.898 0.000 0.714 247 K HN 0.321 nan 8.250 nan 0.000 0.448 248 N N -0.112 118.298 118.700 -0.483 0.000 2.336 248 N HA 0.018 4.760 4.740 0.003 0.000 0.189 248 N C 0.613 175.988 175.510 -0.225 0.000 1.113 248 N CA 0.250 53.125 53.050 -0.292 0.000 0.858 248 N CB 0.543 38.911 38.487 -0.197 0.000 0.970 248 N HN 0.134 nan 8.380 nan 0.000 0.471 249 G N 0.133 108.771 108.800 -0.268 0.000 2.557 249 G HA2 0.138 4.099 3.960 0.003 0.000 0.292 249 G HA3 0.138 4.099 3.960 0.003 0.000 0.292 249 G C 0.653 175.457 174.900 -0.160 0.000 1.237 249 G CA -0.246 44.741 45.100 -0.189 0.000 0.978 249 G HN -0.062 nan 8.290 nan 0.000 0.498 250 E N -0.260 119.867 120.200 -0.121 0.000 2.511 250 E HA 0.010 4.362 4.350 0.003 0.000 0.196 250 E C 2.109 178.639 176.600 -0.116 0.000 1.066 250 E CA 0.330 56.670 56.400 -0.100 0.000 0.871 250 E CB 0.444 30.096 29.700 -0.079 0.000 0.863 250 E HN 0.260 nan 8.360 nan 0.000 0.520 251 S N -0.068 115.547 115.700 -0.142 0.000 2.517 251 S HA 0.071 4.543 4.470 0.003 0.000 0.214 251 S C 1.251 175.709 174.600 -0.237 0.000 0.991 251 S CA -0.444 57.668 58.200 -0.146 0.000 0.906 251 S CB -0.003 63.187 63.200 -0.016 0.000 0.789 251 S HN 0.201 nan 8.310 nan 0.000 0.513 252 F N 3.655 123.274 119.950 -0.551 0.000 2.186 252 F HA -0.044 4.485 4.527 0.003 0.000 0.299 252 F C 1.751 177.392 175.800 -0.264 0.000 1.090 252 F CA 1.040 58.651 58.000 -0.647 0.000 1.307 252 F CB -0.355 38.233 39.000 -0.687 0.000 1.019 252 F HN 0.125 nan 8.300 nan 0.000 0.489 253 N N 0.482 119.066 118.700 -0.194 0.000 2.223 253 N HA -0.136 4.605 4.740 0.003 0.000 0.185 253 N C 1.983 177.336 175.510 -0.262 0.000 1.016 253 N CA 1.359 54.287 53.050 -0.204 0.000 0.863 253 N CB -0.459 37.964 38.487 -0.106 0.000 0.983 253 N HN 0.331 nan 8.380 nan 0.000 0.429 254 L N -0.795 120.244 121.223 -0.307 0.000 2.027 254 L HA -0.164 4.178 4.340 0.003 0.000 0.206 254 L C 2.208 178.857 176.870 -0.368 0.000 1.074 254 L CA 1.141 55.697 54.840 -0.473 0.000 0.745 254 L CB -0.820 40.816 42.059 -0.705 0.000 0.898 254 L HN 0.133 nan 8.230 nan 0.000 0.433 255 Y N 1.514 121.577 120.300 -0.394 0.000 2.040 255 Y HA -0.323 4.229 4.550 0.003 0.000 0.275 255 Y C 2.570 178.271 175.900 -0.332 0.000 1.171 255 Y CA 1.982 59.904 58.100 -0.296 0.000 1.123 255 Y CB -0.287 38.032 38.460 -0.234 0.000 0.963 255 Y HN 0.164 nan 8.280 nan 0.000 0.493 256 E N -0.155 119.724 120.200 -0.535 0.000 2.110 256 E HA -0.303 4.049 4.350 0.003 0.000 0.193 256 E C 2.235 178.633 176.600 -0.337 0.000 0.988 256 E CA 1.205 57.300 56.400 -0.507 0.000 0.804 256 E CB -0.281 29.162 29.700 -0.430 0.000 0.745 256 E HN 0.730 nan 8.360 nan 0.000 0.458 257 Q N 1.026 120.672 119.800 -0.255 0.000 2.077 257 Q HA -0.230 4.111 4.340 0.003 0.000 0.206 257 Q C 1.839 177.765 176.000 -0.123 0.000 0.989 257 Q CA 1.483 57.196 55.803 -0.150 0.000 0.853 257 Q CB 0.096 28.779 28.738 -0.091 0.000 0.907 257 Q HN 0.110 nan 8.270 nan 0.000 0.418 258 E N 0.412 120.524 120.200 -0.147 0.000 2.107 258 E HA -0.136 4.216 4.350 0.003 0.000 0.191 258 E C 2.066 178.575 176.600 -0.153 0.000 0.982 258 E CA 0.711 57.050 56.400 -0.102 0.000 0.809 258 E CB -0.254 29.400 29.700 -0.076 0.000 0.756 258 E HN 0.362 nan 8.360 nan 0.000 0.459 259 L N 0.480 121.524 121.223 -0.299 0.000 1.988 259 L HA -0.119 4.223 4.340 0.003 0.000 0.207 259 L C 2.199 179.027 176.870 -0.070 0.000 1.071 259 L CA 1.496 56.167 54.840 -0.282 0.000 0.744 259 L CB -0.437 41.279 42.059 -0.572 0.000 0.893 259 L HN -0.105 nan 8.230 nan 0.000 0.433 260 V N -0.824 119.010 119.914 -0.133 0.000 2.500 260 V HA -0.050 4.071 4.120 0.003 0.000 0.243 260 V C 2.303 178.438 176.094 0.069 0.000 1.039 260 V CA 1.493 63.760 62.300 -0.055 0.000 1.053 260 V CB -0.426 31.127 31.823 -0.449 0.000 0.695 260 V HN 0.435 nan 8.190 nan 0.000 0.463 261 E N -0.100 120.026 120.200 -0.123 0.000 2.075 261 E HA -0.001 4.351 4.350 0.003 0.000 0.190 261 E C 2.293 178.604 176.600 -0.482 0.000 0.969 261 E CA 0.414 56.680 56.400 -0.223 0.000 0.815 261 E CB 0.025 29.633 29.700 -0.153 0.000 0.776 261 E HN 0.271 nan 8.360 nan 0.000 0.457 262 R N -0.210 120.113 120.500 -0.296 0.000 2.254 262 R HA -0.012 4.330 4.340 0.003 0.000 0.195 262 R C -0.174 176.053 176.300 -0.122 0.000 0.957 262 R CA 0.081 56.020 56.100 -0.268 0.000 1.024 262 R CB 0.030 30.237 30.300 -0.155 0.000 0.952 262 R HN 0.297 nan 8.270 nan 0.000 0.484 263 W N 0.820 122.093 121.300 -0.044 0.000 5.121 263 W HA -0.219 4.442 4.660 0.002 0.000 0.372 263 W C -0.117 176.348 176.519 -0.090 0.000 1.394 263 W CA -0.127 57.180 57.345 -0.063 0.000 0.885 263 W CB -2.908 26.561 29.460 0.015 0.000 2.520 263 W HN 0.084 nan 8.180 nan 0.000 1.455 264 N N 1.496 120.225 118.700 0.049 0.000 2.621 264 N HA 0.248 4.989 4.740 0.003 0.000 0.237 264 N C 0.757 176.227 175.510 -0.066 0.000 0.997 264 N CA -0.358 52.682 53.050 -0.017 0.000 0.918 264 N CB 0.520 38.969 38.487 -0.063 0.000 1.122 264 N HN -0.151 nan 8.380 nan 0.000 0.510 265 L N 1.884 123.071 121.223 -0.062 0.000 2.217 265 L HA 0.038 4.380 4.340 0.003 0.000 0.211 265 L C 2.085 178.883 176.870 -0.121 0.000 1.107 265 L CA 1.062 55.830 54.840 -0.119 0.000 0.783 265 L CB -1.670 40.278 42.059 -0.185 0.000 0.919 265 L HN 0.548 nan 8.230 nan 0.000 0.442 266 A N -0.086 122.644 122.820 -0.149 0.000 1.929 266 A HA 0.002 4.324 4.320 0.003 0.000 0.216 266 A C 2.536 179.934 177.584 -0.310 0.000 1.176 266 A CA 1.389 53.261 52.037 -0.274 0.000 0.628 266 A CB -0.396 18.205 19.000 -0.665 0.000 0.816 266 A HN 0.343 nan 8.150 nan 0.000 0.444 267 A N -0.035 122.603 122.820 -0.303 0.000 1.898 267 A HA 0.223 4.545 4.320 0.003 0.000 0.216 267 A C 2.480 180.024 177.584 -0.066 0.000 1.181 267 A CA 1.852 53.788 52.037 -0.170 0.000 0.620 267 A CB -0.949 18.005 19.000 -0.077 0.000 0.819 267 A HN 0.967 nan 8.150 nan 0.000 0.442 268 A N -0.679 122.092 122.820 -0.082 0.000 1.902 268 A HA -0.129 4.192 4.320 0.003 0.000 0.217 268 A C 2.495 180.135 177.584 0.094 0.000 1.181 268 A CA 2.215 54.231 52.037 -0.035 0.000 0.623 268 A CB -0.997 17.869 19.000 -0.223 0.000 0.818 268 A HN 0.581 nan 8.150 nan 0.000 0.443 269 S N -0.358 115.349 115.700 0.012 0.000 2.382 269 S HA -0.184 4.288 4.470 0.003 0.000 0.228 269 S C 1.609 176.147 174.600 -0.103 0.000 1.027 269 S CA 1.677 59.879 58.200 0.002 0.000 0.991 269 S CB -0.558 62.666 63.200 0.040 0.000 0.823 269 S HN 0.543 nan 8.310 nan 0.000 0.469 270 D N 1.165 121.501 120.400 -0.105 0.000 2.149 270 D HA -0.038 4.603 4.640 0.003 0.000 0.198 270 D C 1.762 178.005 176.300 -0.094 0.000 0.990 270 D CA 1.100 55.032 54.000 -0.114 0.000 0.839 270 D CB -0.279 40.481 40.800 -0.066 0.000 0.948 270 D HN 0.492 nan 8.370 nan 0.000 0.460 271 I N 0.122 120.669 120.570 -0.039 0.000 2.333 271 I HA -0.140 4.032 4.170 0.003 0.000 0.246 271 I C 2.468 178.495 176.117 -0.149 0.000 1.106 271 I CA 0.339 61.632 61.300 -0.011 0.000 1.411 271 I CB 0.010 38.067 38.000 0.095 0.000 1.082 271 I HN 0.011 nan 8.210 nan 0.000 0.420 272 L N 1.588 122.657 121.223 -0.257 0.000 1.994 272 L HA -0.226 4.116 4.340 0.003 0.000 0.208 272 L C 3.060 179.562 176.870 -0.612 0.000 1.071 272 L CA 1.642 56.051 54.840 -0.717 0.000 0.745 272 L CB -0.413 41.335 42.059 -0.517 0.000 0.892 272 L HN 0.295 nan 8.230 nan 0.000 0.431 273 R N -0.189 120.036 120.500 -0.458 0.000 2.103 273 R HA -0.264 4.077 4.340 0.003 0.000 0.242 273 R C 2.073 178.154 176.300 -0.365 0.000 1.142 273 R CA 2.173 57.964 56.100 -0.516 0.000 0.960 273 R CB -1.046 28.626 30.300 -1.048 0.000 0.858 273 R HN 0.332 nan 8.270 nan 0.000 0.439 274 I N 1.414 121.815 120.570 -0.282 0.000 2.406 274 I HA -0.091 4.080 4.170 0.003 0.000 0.249 274 I C 1.761 177.770 176.117 -0.181 0.000 1.122 274 I CA 1.203 62.397 61.300 -0.177 0.000 1.431 274 I CB -0.010 37.893 38.000 -0.161 0.000 1.087 274 I HN 0.146 nan 8.210 nan 0.000 0.424 275 S N 0.694 116.244 115.700 -0.250 0.000 2.382 275 S HA -0.102 4.369 4.470 0.003 0.000 0.228 275 S C 2.201 176.750 174.600 -0.085 0.000 1.027 275 S CA 1.133 59.209 58.200 -0.208 0.000 0.991 275 S CB -0.536 62.455 63.200 -0.348 0.000 0.823 275 S HN 0.634 nan 8.310 nan 0.000 0.469 276 A N 1.083 123.779 122.820 -0.208 0.000 1.933 276 A HA -0.034 4.288 4.320 0.003 0.000 0.218 276 A C 2.026 179.459 177.584 -0.252 0.000 1.175 276 A CA 1.135 53.001 52.037 -0.285 0.000 0.628 276 A CB -0.543 18.046 19.000 -0.685 0.000 0.814 276 A HN 0.378 nan 8.150 nan 0.000 0.444 277 L N -0.121 121.012 121.223 -0.151 0.000 2.027 277 L HA -0.090 4.251 4.340 0.003 0.000 0.206 277 L C 2.368 179.250 176.870 0.021 0.000 1.074 277 L CA 2.249 57.086 54.840 -0.005 0.000 0.745 277 L CB -0.828 41.257 42.059 0.044 0.000 0.898 277 L HN 0.486 nan 8.230 nan 0.000 0.433 278 K N -0.595 119.801 120.400 -0.007 0.000 2.020 278 K HA -0.213 4.108 4.320 0.003 0.000 0.212 278 K C 1.807 178.431 176.600 0.040 0.000 1.050 278 K CA 1.720 58.010 56.287 0.005 0.000 0.929 278 K CB 0.067 32.550 32.500 -0.028 0.000 0.714 278 K HN 0.269 nan 8.250 nan 0.000 0.443 279 E N -0.192 120.052 120.200 0.073 0.000 2.230 279 E HA -0.049 4.303 4.350 0.003 0.000 0.192 279 E C 1.920 178.557 176.600 0.062 0.000 0.987 279 E CA 0.912 57.382 56.400 0.115 0.000 0.841 279 E CB 0.292 30.179 29.700 0.311 0.000 0.783 279 E HN 0.500 nan 8.360 nan 0.000 0.481 280 I N -1.044 119.545 120.570 0.033 0.000 4.433 280 I HA 0.206 4.378 4.170 0.003 0.000 0.322 280 I C 0.944 177.142 176.117 0.134 0.000 1.284 280 I CA 0.279 61.614 61.300 0.059 0.000 1.269 280 I CB 0.454 38.476 38.000 0.036 0.000 1.219 280 I HN -0.016 nan 8.210 nan 0.000 0.436 281 G N 1.228 110.124 108.800 0.160 0.000 2.785 281 G HA2 0.224 4.185 3.960 0.003 0.000 0.685 281 G HA3 0.224 4.185 3.960 0.003 0.000 0.685 281 G C 0.044 175.104 174.900 0.267 0.000 1.480 281 G CA -0.356 44.852 45.100 0.180 0.000 0.915 281 G HN 0.989 nan 8.290 nan 0.000 0.576 282 G N -0.182 108.726 108.800 0.180 0.000 2.255 282 G HA2 0.461 4.422 3.960 0.003 0.000 0.216 282 G HA3 0.461 4.422 3.960 0.003 0.000 0.216 282 G C -0.358 174.606 174.900 0.107 0.000 1.307 282 G CA 0.329 45.489 45.100 0.100 0.000 1.162 282 G HN 2.119 nan 8.290 nan 0.000 0.494 283 M N 0.513 120.110 119.600 -0.004 0.000 2.197 283 M HA 0.693 5.174 4.480 0.003 0.000 0.301 283 M C -1.242 175.002 176.300 -0.094 0.000 0.987 283 M CA -0.977 54.303 55.300 -0.033 0.000 0.921 283 M CB 1.731 34.253 32.600 -0.130 0.000 1.569 283 M HN 0.801 nan 8.290 nan 0.000 0.431 284 Y N 5.352 125.602 120.300 -0.083 0.000 2.308 284 Y HA 0.684 5.236 4.550 0.002 0.000 0.329 284 Y C -1.845 173.879 175.900 -0.293 0.000 1.111 284 Y CA -0.283 57.733 58.100 -0.140 0.000 1.179 284 Y CB 0.884 39.330 38.460 -0.025 0.000 1.201 284 Y HN 0.693 nan 8.280 nan 0.000 0.483 285 L N 5.557 125.861 121.223 -1.532 0.000 2.431 285 L HA 0.332 4.674 4.340 0.003 0.000 0.266 285 L C -0.919 175.308 176.870 -1.072 0.000 0.978 285 L CA -1.104 53.047 54.840 -1.149 0.000 0.822 285 L CB 1.873 43.191 42.059 -1.236 0.000 1.310 285 L HN 0.601 nan 8.230 nan 0.000 0.409 286 D N 0.782 121.008 120.400 -0.290 0.000 2.372 286 D HA 0.062 4.703 4.640 0.003 0.000 0.243 286 D C 1.128 177.569 176.300 0.235 0.000 1.121 286 D CA -0.032 54.029 54.000 0.101 0.000 0.898 286 D CB 2.104 43.053 40.800 0.248 0.000 1.202 286 D HN 0.402 nan 8.370 nan 0.000 0.428 287 V N -0.069 120.041 119.914 0.328 0.000 3.241 287 V HA -0.156 3.965 4.120 0.003 0.000 0.269 287 V C 0.952 177.153 176.094 0.177 0.000 1.151 287 V CA 1.414 63.882 62.300 0.280 0.000 1.158 287 V CB -0.608 31.288 31.823 0.121 0.000 0.764 287 V HN 0.435 nan 8.190 nan 0.000 0.508 288 D N -1.445 119.079 120.400 0.206 0.000 2.349 288 D HA 0.108 4.749 4.640 0.003 0.000 0.214 288 D C 0.747 177.358 176.300 0.518 0.000 1.063 288 D CA -0.010 54.111 54.000 0.202 0.000 0.847 288 D CB -0.177 40.697 40.800 0.123 0.000 0.933 288 D HN 0.374 nan 8.370 nan 0.000 0.513 289 M N 0.696 120.601 119.600 0.508 0.000 2.274 289 M HA 0.408 4.890 4.480 0.003 0.000 0.344 289 M C -0.080 176.620 176.300 0.668 0.000 1.161 289 M CA -0.484 55.125 55.300 0.514 0.000 1.126 289 M CB 1.804 34.654 32.600 0.417 0.000 1.522 289 M HN -0.063 nan 8.290 nan 0.000 0.461 290 L N 2.694 124.122 121.223 0.342 0.000 2.303 290 L HA 0.560 4.902 4.340 0.003 0.000 0.266 290 L C -2.163 174.288 176.870 -0.698 0.000 1.011 290 L CA -2.036 52.679 54.840 -0.209 0.000 0.818 290 L CB 2.159 44.005 42.059 -0.353 0.000 1.326 290 L HN 0.391 nan 8.230 nan 0.000 0.435 291 P HA 0.009 nan 4.420 nan 0.000 0.268 291 P C -0.222 176.799 177.300 -0.465 0.000 1.208 291 P CA -0.172 61.979 63.100 -1.582 0.000 0.777 291 P CB 0.340 31.139 31.700 -1.501 0.000 0.875 292 G N 2.489 111.171 108.800 -0.197 0.000 2.391 292 G HA2 0.098 4.060 3.960 0.003 0.000 0.234 292 G HA3 0.098 4.060 3.960 0.003 0.000 0.234 292 G C 0.008 174.987 174.900 0.132 0.000 1.284 292 G CA -0.369 44.748 45.100 0.027 0.000 0.873 292 G HN 0.412 nan 8.290 nan 0.000 0.549 293 I N 1.265 121.910 120.570 0.125 0.000 2.638 293 I HA 0.044 4.215 4.170 0.003 0.000 0.286 293 I C 0.669 176.787 176.117 0.002 0.000 1.088 293 I CA -0.523 60.806 61.300 0.049 0.000 1.397 293 I CB 1.042 39.064 38.000 0.036 0.000 1.414 293 I HN 0.305 nan 8.210 nan 0.000 0.566 294 Q N 6.291 126.048 119.800 -0.073 0.000 2.247 294 Q HA 0.015 4.357 4.340 0.003 0.000 0.288 294 Q C -1.636 174.328 176.000 -0.060 0.000 1.079 294 Q CA -1.073 54.687 55.803 -0.072 0.000 0.932 294 Q CB 0.488 29.151 28.738 -0.125 0.000 1.133 294 Q HN 0.353 nan 8.270 nan 0.000 0.377 295 P HA -0.179 nan 4.420 nan 0.000 0.216 295 P C 0.696 177.993 177.300 -0.005 0.000 1.150 295 P CA 1.309 64.416 63.100 0.012 0.000 0.837 295 P CB 0.200 31.913 31.700 0.022 0.000 0.786 296 D N -0.810 119.566 120.400 -0.040 0.000 2.312 296 D HA -0.102 4.539 4.640 0.003 0.000 0.211 296 D C 1.856 178.087 176.300 -0.115 0.000 0.964 296 D CA 0.425 54.393 54.000 -0.055 0.000 0.877 296 D CB -0.732 40.033 40.800 -0.058 0.000 0.924 296 D HN 0.089 nan 8.370 nan 0.000 0.515 297 L N 0.006 121.105 121.223 -0.207 0.000 1.989 297 L HA -0.097 4.244 4.340 0.003 0.000 0.211 297 L C 1.362 177.922 176.870 -0.516 0.000 1.071 297 L CA 1.691 56.257 54.840 -0.457 0.000 0.749 297 L CB -0.594 41.042 42.059 -0.704 0.000 0.890 297 L HN -0.109 nan 8.230 nan 0.000 0.431 298 F N -0.366 119.554 119.950 -0.050 0.000 2.639 298 F HA 0.175 4.704 4.527 0.003 0.000 0.302 298 F C 1.924 177.719 175.800 -0.009 0.000 1.097 298 F CA 0.152 58.110 58.000 -0.069 0.000 1.294 298 F CB -0.641 38.310 39.000 -0.081 0.000 1.027 298 F HN 0.280 nan 8.300 nan 0.000 0.550 299 E N 0.106 120.377 120.200 0.118 0.000 2.130 299 E HA -0.257 4.095 4.350 0.003 0.000 0.196 299 E C 2.020 178.668 176.600 0.079 0.000 0.998 299 E CA 1.824 58.282 56.400 0.097 0.000 0.806 299 E CB -0.597 29.131 29.700 0.046 0.000 0.738 299 E HN 0.303 nan 8.360 nan 0.000 0.459 300 S N 0.630 116.360 115.700 0.051 0.000 2.555 300 S HA 0.023 4.495 4.470 0.003 0.000 0.230 300 S C 0.880 175.499 174.600 0.032 0.000 0.978 300 S CA -0.017 58.199 58.200 0.027 0.000 0.934 300 S CB -0.526 62.674 63.200 0.001 0.000 0.766 300 S HN 0.286 nan 8.310 nan 0.000 0.533 301 I N 1.884 122.497 120.570 0.071 0.000 2.330 301 I HA 0.364 4.535 4.170 0.003 0.000 0.289 301 I C 0.134 176.337 176.117 0.143 0.000 1.001 301 I CA -0.460 60.883 61.300 0.071 0.000 1.193 301 I CB 1.293 39.256 38.000 -0.061 0.000 1.345 301 I HN 0.186 nan 8.210 nan 0.000 0.461 302 E N 6.575 126.790 120.200 0.024 0.000 2.289 302 E HA 0.102 4.453 4.350 0.003 0.000 0.278 302 E C -0.271 176.109 176.600 -0.367 0.000 1.032 302 E CA -0.631 55.714 56.400 -0.092 0.000 0.854 302 E CB 1.180 30.826 29.700 -0.090 0.000 1.046 302 E HN 0.413 nan 8.360 nan 0.000 0.409 303 K N 5.533 125.532 120.400 -0.668 0.000 2.436 303 K HA 0.092 4.413 4.320 0.003 0.000 0.282 303 K C -2.267 173.954 176.600 -0.631 0.000 1.044 303 K CA -1.225 54.300 56.287 -1.270 0.000 1.028 303 K CB 0.331 32.139 32.500 -1.152 0.000 0.919 303 K HN 0.212 nan 8.250 nan 0.000 0.474 304 P HA -0.029 nan 4.420 nan 0.000 0.267 304 P C -0.081 177.091 177.300 -0.212 0.000 1.200 304 P CA -0.033 62.914 63.100 -0.255 0.000 0.772 304 P CB 0.820 32.426 31.700 -0.156 0.000 0.855 305 S N 0.529 116.144 115.700 -0.143 0.000 2.419 305 S HA -0.148 4.323 4.470 0.003 0.000 0.233 305 S C 1.711 176.255 174.600 -0.094 0.000 1.016 305 S CA 1.444 59.578 58.200 -0.109 0.000 0.974 305 S CB -0.851 62.301 63.200 -0.079 0.000 0.786 305 S HN 0.661 nan 8.310 nan 0.000 0.492 306 S N 0.485 116.127 115.700 -0.097 0.000 2.489 306 S HA 0.119 4.591 4.470 0.003 0.000 0.228 306 S C 0.565 175.093 174.600 -0.120 0.000 0.995 306 S CA -0.132 58.011 58.200 -0.095 0.000 0.934 306 S CB -0.319 62.825 63.200 -0.094 0.000 0.771 306 S HN 0.223 nan 8.310 nan 0.000 0.522 307 V N 3.452 123.295 119.914 -0.117 0.000 2.427 307 V HA 0.433 4.555 4.120 0.003 0.000 0.286 307 V C 0.751 176.842 176.094 -0.005 0.000 1.034 307 V CA -0.538 61.699 62.300 -0.104 0.000 0.893 307 V CB 1.447 33.276 31.823 0.010 0.000 0.982 307 V HN 0.626 nan 8.190 nan 0.000 0.452 308 T N 2.287 116.869 114.554 0.048 0.000 2.813 308 T HA 0.257 4.609 4.350 0.003 0.000 0.297 308 T C 1.271 176.100 174.700 0.215 0.000 1.036 308 T CA -0.387 61.778 62.100 0.109 0.000 1.044 308 T CB 1.281 70.213 68.868 0.107 0.000 0.993 308 T HN 0.202 nan 8.240 nan 0.000 0.535 309 V N 2.117 122.136 119.914 0.174 0.000 2.255 309 V HA -0.196 3.925 4.120 0.003 0.000 0.247 309 V C 2.798 179.049 176.094 0.262 0.000 1.051 309 V CA 2.454 64.886 62.300 0.220 0.000 1.018 309 V CB -0.921 30.995 31.823 0.156 0.000 0.641 309 V HN 1.096 nan 8.190 nan 0.000 0.445 310 D N -0.644 119.878 120.400 0.203 0.000 2.178 310 D HA -0.260 4.381 4.640 0.003 0.000 0.202 310 D C 2.102 178.498 176.300 0.159 0.000 0.974 310 D CA 1.309 55.406 54.000 0.162 0.000 0.841 310 D CB -0.600 40.275 40.800 0.126 0.000 0.953 310 D HN 0.448 nan 8.370 nan 0.000 0.478 311 F N 0.668 120.664 119.950 0.077 0.000 2.134 311 F HA -0.097 4.432 4.527 0.003 0.000 0.299 311 F C 2.409 178.296 175.800 0.145 0.000 1.097 311 F CA 1.533 59.564 58.000 0.051 0.000 1.264 311 F CB -0.335 38.719 39.000 0.091 0.000 1.001 311 F HN 0.003 nan 8.300 nan 0.000 0.479 312 W N 1.363 122.759 121.300 0.159 0.000 2.363 312 W HA -0.177 4.485 4.660 0.003 0.000 0.296 312 W C 1.971 178.487 176.519 -0.006 0.000 1.212 312 W CA 1.324 58.725 57.345 0.092 0.000 1.260 312 W CB -0.024 29.528 29.460 0.153 0.000 1.131 312 W HN 0.037 nan 8.180 nan 0.000 0.530 313 E N 0.281 120.523 120.200 0.070 0.000 2.110 313 E HA -0.230 4.121 4.350 0.003 0.000 0.193 313 E C 2.118 178.641 176.600 -0.128 0.000 0.988 313 E CA 1.559 57.936 56.400 -0.038 0.000 0.804 313 E CB -0.761 28.979 29.700 0.067 0.000 0.745 313 E HN 0.468 nan 8.360 nan 0.000 0.458 314 M N 0.440 119.935 119.600 -0.175 0.000 2.132 314 M HA -0.127 4.354 4.480 0.003 0.000 0.263 314 M C 2.541 178.676 176.300 -0.275 0.000 1.065 314 M CA 1.985 57.152 55.300 -0.222 0.000 1.122 314 M CB -0.667 31.690 32.600 -0.406 0.000 1.365 314 M HN 0.133 nan 8.290 nan 0.000 0.411 315 T N -1.382 112.914 114.554 -0.430 0.000 2.915 315 T HA -0.084 4.267 4.350 0.003 0.000 0.269 315 T C 1.672 176.011 174.700 -0.602 0.000 1.071 315 T CA 1.001 62.827 62.100 -0.458 0.000 1.132 315 T CB -0.204 68.381 68.868 -0.473 0.000 0.878 315 T HN 0.327 nan 8.240 nan 0.000 0.479 316 K N 0.754 120.782 120.400 -0.621 0.000 2.009 316 K HA 0.033 4.355 4.320 0.003 0.000 0.210 316 K C 2.277 178.677 176.600 -0.334 0.000 1.049 316 K CA 1.664 57.606 56.287 -0.575 0.000 0.929 316 K CB -0.463 31.814 32.500 -0.371 0.000 0.714 316 K HN 0.323 nan 8.250 nan 0.000 0.440 317 L N 0.968 122.055 121.223 -0.227 0.000 2.056 317 L HA -0.180 4.162 4.340 0.003 0.000 0.207 317 L C 2.236 178.897 176.870 -0.349 0.000 1.078 317 L CA 1.320 56.029 54.840 -0.218 0.000 0.749 317 L CB -0.333 41.666 42.059 -0.101 0.000 0.901 317 L HN 0.213 nan 8.230 nan 0.000 0.433 318 E N 0.120 120.184 120.200 -0.226 0.000 2.118 318 E HA -0.250 4.101 4.350 0.003 0.000 0.195 318 E C 2.283 178.558 176.600 -0.541 0.000 0.992 318 E CA 1.140 57.406 56.400 -0.223 0.000 0.804 318 E CB -0.204 29.466 29.700 -0.050 0.000 0.741 318 E HN 0.531 nan 8.360 nan 0.000 0.458 319 A N 1.303 123.726 122.820 -0.662 0.000 1.877 319 A HA -0.181 4.140 4.320 0.003 0.000 0.216 319 A C 2.197 179.538 177.584 -0.406 0.000 1.186 319 A CA 1.137 52.681 52.037 -0.821 0.000 0.620 319 A CB -0.618 17.891 19.000 -0.819 0.000 0.822 319 A HN 0.128 nan 8.150 nan 0.000 0.443 320 I N -0.558 119.843 120.570 -0.281 0.000 2.163 320 I HA -0.308 3.863 4.170 0.003 0.000 0.243 320 I C 2.530 178.383 176.117 -0.441 0.000 1.085 320 I CA 1.418 62.550 61.300 -0.278 0.000 1.347 320 I CB -0.302 37.520 38.000 -0.296 0.000 1.044 320 I HN 0.270 nan 8.210 nan 0.000 0.408 321 M N 0.022 119.326 119.600 -0.492 0.000 2.296 321 M HA -0.154 4.327 4.480 0.003 0.000 0.265 321 M C 2.172 178.221 176.300 -0.418 0.000 1.064 321 M CA 1.430 56.445 55.300 -0.476 0.000 1.109 321 M CB -1.165 31.066 32.600 -0.616 0.000 1.396 321 M HN 0.200 nan 8.290 nan 0.000 0.430 322 K N -0.155 119.927 120.400 -0.531 0.000 2.002 322 K HA -0.177 4.145 4.320 0.003 0.000 0.209 322 K C 1.845 178.040 176.600 -0.676 0.000 1.048 322 K CA 1.660 57.535 56.287 -0.686 0.000 0.930 322 K CB -0.008 31.812 32.500 -1.134 0.000 0.714 322 K HN 0.231 nan 8.250 nan 0.000 0.438 323 Y N 0.208 120.307 120.300 -0.334 0.000 2.397 323 Y HA 0.046 4.597 4.550 0.002 0.000 0.292 323 Y C 2.069 177.801 175.900 -0.280 0.000 1.115 323 Y CA 0.502 58.453 58.100 -0.248 0.000 1.208 323 Y CB 0.321 38.668 38.460 -0.190 0.000 1.046 323 Y HN -0.082 nan 8.280 nan 0.000 0.552 324 K N 0.107 120.314 120.400 -0.321 0.000 2.284 324 K HA 0.030 4.351 4.320 0.003 0.000 0.198 324 K C 0.188 176.489 176.600 -0.499 0.000 1.048 324 K CA 0.561 56.505 56.287 -0.573 0.000 0.987 324 K CB -0.001 31.726 32.500 -1.288 0.000 0.800 324 K HN 0.314 nan 8.250 nan 0.000 0.486 325 E N -0.370 119.602 120.200 -0.381 0.000 2.694 325 E HA -0.223 4.128 4.350 0.003 0.000 0.272 325 E C -0.013 176.573 176.600 -0.022 0.000 1.040 325 E CA 0.150 56.447 56.400 -0.172 0.000 0.809 325 E CB -1.485 28.158 29.700 -0.096 0.000 1.389 325 E HN 0.217 nan 8.360 nan 0.000 0.413 326 Y N -0.722 119.530 120.300 -0.080 0.000 2.352 326 Y HA 0.064 4.616 4.550 0.003 0.000 0.292 326 Y C 1.399 177.276 175.900 -0.039 0.000 1.136 326 Y CA 0.891 58.961 58.100 -0.051 0.000 1.227 326 Y CB 0.352 38.794 38.460 -0.029 0.000 0.991 326 Y HN 0.131 nan 8.280 nan 0.000 0.545 327 I N 1.024 121.659 120.570 0.110 0.000 2.476 327 I HA 0.273 4.444 4.170 0.003 0.000 0.281 327 I C -2.537 173.653 176.117 0.121 0.000 1.040 327 I CA -2.160 59.212 61.300 0.120 0.000 1.094 327 I CB 1.976 40.071 38.000 0.158 0.000 1.219 327 I HN -0.266 nan 8.210 nan 0.000 0.450 328 P HA 0.031 nan 4.420 nan 0.000 0.266 328 P C -0.005 177.348 177.300 0.089 0.000 1.193 328 P CA 0.444 63.584 63.100 0.066 0.000 0.770 328 P CB 0.310 32.035 31.700 0.041 0.000 0.836 329 E N -1.810 118.425 120.200 0.058 0.000 3.673 329 E HA -0.304 4.048 4.350 0.003 0.000 0.309 329 E C -0.329 176.311 176.600 0.067 0.000 0.819 329 E CA 0.334 56.759 56.400 0.042 0.000 1.111 329 E CB -2.136 27.576 29.700 0.020 0.000 1.561 329 E HN 0.469 nan 8.360 nan 0.000 0.450 330 Y N 1.945 122.239 120.300 -0.008 0.000 2.526 330 Y HA 0.041 4.593 4.550 0.003 0.000 0.330 330 Y C 1.076 176.952 175.900 -0.040 0.000 1.156 330 Y CA 1.265 59.363 58.100 -0.003 0.000 1.419 330 Y CB 0.879 39.327 38.460 -0.021 0.000 1.250 330 Y HN -0.056 nan 8.280 nan 0.000 0.540 331 T N 2.953 117.449 114.554 -0.095 0.000 2.906 331 T HA 0.090 4.441 4.350 0.003 0.000 0.320 331 T C 0.672 175.407 174.700 0.058 0.000 1.088 331 T CA 0.422 62.496 62.100 -0.042 0.000 1.120 331 T CB 0.115 68.920 68.868 -0.106 0.000 1.000 331 T HN 0.771 nan 8.240 nan 0.000 0.550 332 S N 2.390 118.092 115.700 0.003 0.000 2.843 332 S HA 0.247 4.718 4.470 0.003 0.000 0.249 332 S C 1.195 175.803 174.600 0.013 0.000 1.047 332 S CA -0.414 57.795 58.200 0.016 0.000 1.042 332 S CB 0.136 63.318 63.200 -0.029 0.000 0.936 332 S HN 0.850 nan 8.310 nan 0.000 0.531 333 E N 1.765 121.919 120.200 -0.078 0.000 2.086 333 E HA -0.295 4.056 4.350 0.003 0.000 0.200 333 E C 1.197 177.651 176.600 -0.244 0.000 1.012 333 E CA 2.103 58.373 56.400 -0.217 0.000 0.812 333 E CB -0.162 29.297 29.700 -0.401 0.000 0.743 333 E HN 0.857 nan 8.360 nan 0.000 0.453 334 H N -1.388 117.688 119.070 0.009 0.000 2.355 334 H HA 0.003 4.560 4.556 0.003 0.000 0.303 334 H C 1.663 176.987 175.328 -0.007 0.000 1.061 334 H CA 1.142 57.164 56.048 -0.044 0.000 1.368 334 H CB -0.434 29.043 29.762 -0.475 0.000 1.412 334 H HN 0.178 nan 8.280 nan 0.000 0.523 335 F N 2.193 122.086 119.950 -0.095 0.000 2.120 335 F HA -0.264 4.265 4.527 0.003 0.000 0.300 335 F C 1.359 177.139 175.800 -0.033 0.000 1.095 335 F CA 1.549 59.458 58.000 -0.153 0.000 1.249 335 F CB -0.071 38.770 39.000 -0.265 0.000 0.995 335 F HN 0.083 nan 8.300 nan 0.000 0.480 336 D N 0.015 120.483 120.400 0.114 0.000 2.264 336 D HA -0.151 4.490 4.640 0.003 0.000 0.208 336 D C 2.192 178.495 176.300 0.005 0.000 0.966 336 D CA 1.099 55.125 54.000 0.044 0.000 0.864 336 D CB -0.296 40.550 40.800 0.077 0.000 0.933 336 D HN 0.409 nan 8.370 nan 0.000 0.499 337 M N -0.094 119.547 119.600 0.069 0.000 2.476 337 M HA -0.053 4.429 4.480 0.003 0.000 0.262 337 M C 0.117 176.463 176.300 0.076 0.000 1.079 337 M CA 0.185 55.550 55.300 0.108 0.000 1.104 337 M CB 0.220 32.968 32.600 0.247 0.000 1.409 337 M HN -0.079 nan 8.290 nan 0.000 0.467 338 L N 0.776 122.013 121.223 0.023 0.000 2.476 338 L HA 0.020 4.362 4.340 0.003 0.000 0.264 338 L C 0.134 176.986 176.870 -0.030 0.000 1.224 338 L CA 0.376 55.219 54.840 0.005 0.000 0.821 338 L CB -0.055 41.945 42.059 -0.098 0.000 1.101 338 L HN 0.043 nan 8.230 nan 0.000 0.488 339 D N 0.855 121.257 120.400 0.003 0.000 2.414 339 D HA 0.039 4.680 4.640 0.003 0.000 0.242 339 D C 1.057 177.352 176.300 -0.008 0.000 1.129 339 D CA -0.075 53.925 54.000 0.001 0.000 0.885 339 D CB 0.545 41.353 40.800 0.014 0.000 1.198 339 D HN 0.475 nan 8.370 nan 0.000 0.437 340 E N 0.866 121.066 120.200 -0.000 0.000 2.160 340 E HA -0.252 4.100 4.350 0.003 0.000 0.195 340 E C 1.515 178.137 176.600 0.036 0.000 0.991 340 E CA 1.076 57.485 56.400 0.014 0.000 0.810 340 E CB 0.126 29.841 29.700 0.025 0.000 0.742 340 E HN 0.558 nan 8.360 nan 0.000 0.466 341 E N 0.329 120.550 120.200 0.035 0.000 2.077 341 E HA -0.179 4.173 4.350 0.003 0.000 0.193 341 E C 1.864 178.508 176.600 0.072 0.000 0.989 341 E CA 1.351 57.777 56.400 0.044 0.000 0.800 341 E CB 0.152 29.870 29.700 0.030 0.000 0.746 341 E HN 0.085 nan 8.360 nan 0.000 0.452 342 V N 0.922 120.890 119.914 0.090 0.000 2.453 342 V HA -0.222 3.900 4.120 0.003 0.000 0.247 342 V C 2.331 178.591 176.094 0.277 0.000 1.048 342 V CA 1.838 64.245 62.300 0.177 0.000 1.049 342 V CB -0.620 31.341 31.823 0.230 0.000 0.672 342 V HN 0.308 nan 8.190 nan 0.000 0.457 343 Q N 0.183 120.047 119.800 0.106 0.000 2.096 343 Q HA -0.191 4.150 4.340 0.003 0.000 0.204 343 Q C 2.538 178.737 176.000 0.332 0.000 0.982 343 Q CA 2.003 57.870 55.803 0.107 0.000 0.850 343 Q CB -0.324 28.359 28.738 -0.092 0.000 0.901 343 Q HN 0.586 nan 8.270 nan 0.000 0.422 344 S N 0.569 116.378 115.700 0.182 0.000 2.382 344 S HA -0.116 4.356 4.470 0.003 0.000 0.228 344 S C 2.136 176.786 174.600 0.084 0.000 1.027 344 S CA 1.137 59.405 58.200 0.113 0.000 0.991 344 S CB -0.124 63.117 63.200 0.069 0.000 0.823 344 S HN 0.276 nan 8.310 nan 0.000 0.469 345 S N 0.961 116.720 115.700 0.098 0.000 2.382 345 S HA -0.017 4.455 4.470 0.003 0.000 0.228 345 S C 1.483 176.095 174.600 0.020 0.000 1.027 345 S CA 1.047 59.264 58.200 0.028 0.000 0.991 345 S CB -0.386 62.807 63.200 -0.013 0.000 0.823 345 S HN 0.453 nan 8.310 nan 0.000 0.469 346 F N 2.046 122.061 119.950 0.108 0.000 2.084 346 F HA -0.126 4.402 4.527 0.002 0.000 0.296 346 F C 2.551 178.313 175.800 -0.063 0.000 1.111 346 F CA 1.550 59.631 58.000 0.136 0.000 1.224 346 F CB -0.608 38.568 39.000 0.293 0.000 0.991 346 F HN 0.331 nan 8.300 nan 0.000 0.471 347 E N -0.681 119.445 120.200 -0.122 0.000 2.106 347 E HA -0.183 4.169 4.350 0.003 0.000 0.192 347 E C 2.187 178.600 176.600 -0.311 0.000 0.984 347 E CA 1.353 57.333 56.400 -0.700 0.000 0.806 347 E CB -0.693 28.335 29.700 -1.120 0.000 0.750 347 E HN 0.265 nan 8.360 nan 0.000 0.458 348 S N 0.439 116.056 115.700 -0.139 0.000 2.368 348 S HA -0.130 4.341 4.470 0.003 0.000 0.225 348 S C 2.080 176.639 174.600 -0.068 0.000 1.030 348 S CA 1.184 59.333 58.200 -0.084 0.000 0.999 348 S CB -0.399 62.775 63.200 -0.044 0.000 0.844 348 S HN 0.231 nan 8.310 nan 0.000 0.459 349 V N 1.917 121.807 119.914 -0.039 0.000 2.270 349 V HA -0.088 4.034 4.120 0.003 0.000 0.245 349 V C 2.559 178.612 176.094 -0.068 0.000 1.043 349 V CA 1.512 63.789 62.300 -0.039 0.000 1.014 349 V CB -0.672 31.157 31.823 0.009 0.000 0.645 349 V HN 0.422 nan 8.190 nan 0.000 0.447 350 L N 0.302 121.504 121.223 -0.036 0.000 2.131 350 L HA -0.091 4.251 4.340 0.003 0.000 0.210 350 L C 2.611 179.427 176.870 -0.090 0.000 1.092 350 L CA 2.244 57.044 54.840 -0.067 0.000 0.759 350 L CB -1.854 40.193 42.059 -0.020 0.000 0.903 350 L HN 0.361 nan 8.230 nan 0.000 0.435 351 A N -0.594 122.162 122.820 -0.106 0.000 1.972 351 A HA -0.153 4.169 4.320 0.003 0.000 0.219 351 A C 2.304 179.851 177.584 -0.063 0.000 1.169 351 A CA 1.542 53.529 52.037 -0.084 0.000 0.635 351 A CB -0.589 18.355 19.000 -0.092 0.000 0.810 351 A HN 0.532 nan 8.150 nan 0.000 0.446 352 S N -1.079 114.580 115.700 -0.068 0.000 2.650 352 S HA 0.147 4.619 4.470 0.003 0.000 0.219 352 S C 0.368 174.930 174.600 -0.062 0.000 0.960 352 S CA -0.139 58.025 58.200 -0.059 0.000 0.925 352 S CB -0.029 63.135 63.200 -0.059 0.000 0.775 352 S HN 0.259 nan 8.310 nan 0.000 0.525 353 K N 1.618 121.978 120.400 -0.067 0.000 2.270 353 K HA 0.434 4.755 4.320 0.003 0.000 0.255 353 K C 0.265 176.843 176.600 -0.038 0.000 0.936 353 K CA -0.214 56.035 56.287 -0.064 0.000 0.809 353 K CB 1.813 34.257 32.500 -0.093 0.000 1.131 353 K HN 0.241 nan 8.250 nan 0.000 0.427 354 S N -0.667 115.019 115.700 -0.024 0.000 2.523 354 S HA 0.129 4.601 4.470 0.003 0.000 0.217 354 S C 0.190 174.798 174.600 0.013 0.000 0.996 354 S CA -0.171 58.026 58.200 -0.005 0.000 0.921 354 S CB 0.519 63.714 63.200 -0.008 0.000 0.829 354 S HN 0.563 nan 8.310 nan 0.000 0.495 355 D N 0.874 121.280 120.400 0.010 0.000 2.671 355 D HA 0.288 4.930 4.640 0.003 0.000 0.232 355 D C 0.149 176.467 176.300 0.030 0.000 1.114 355 D CA -0.458 53.551 54.000 0.015 0.000 0.858 355 D CB 2.248 43.044 40.800 -0.007 0.000 1.544 355 D HN -0.034 nan 8.370 nan 0.000 0.471 356 K N 0.740 121.149 120.400 0.016 0.000 2.147 356 K HA -0.120 4.202 4.320 0.003 0.000 0.205 356 K C 1.669 178.264 176.600 -0.010 0.000 1.049 356 K CA 1.568 57.842 56.287 -0.022 0.000 0.936 356 K CB 0.108 32.469 32.500 -0.232 0.000 0.722 356 K HN 0.371 nan 8.250 nan 0.000 0.446 357 S N 0.243 115.932 115.700 -0.017 0.000 2.423 357 S HA -0.117 4.355 4.470 0.003 0.000 0.231 357 S C 1.476 176.058 174.600 -0.029 0.000 1.014 357 S CA 0.967 59.160 58.200 -0.012 0.000 0.965 357 S CB -0.126 63.068 63.200 -0.011 0.000 0.785 357 S HN 0.378 nan 8.310 nan 0.000 0.495 358 E N 0.283 120.455 120.200 -0.046 0.000 2.427 358 E HA 0.060 4.412 4.350 0.003 0.000 0.196 358 E C 1.396 177.912 176.600 -0.140 0.000 1.028 358 E CA 0.520 56.872 56.400 -0.081 0.000 0.864 358 E CB 0.001 29.654 29.700 -0.077 0.000 0.813 358 E HN 0.534 nan 8.360 nan 0.000 0.514 359 I N -0.331 120.149 120.570 -0.150 0.000 2.681 359 I HA 0.037 4.208 4.170 0.003 0.000 0.247 359 I C 0.593 176.486 176.117 -0.374 0.000 1.091 359 I CA 0.687 61.803 61.300 -0.305 0.000 1.442 359 I CB -0.381 37.434 38.000 -0.309 0.000 1.219 359 I HN -0.091 nan 8.210 nan 0.000 0.451 360 F N 1.907 121.796 119.950 -0.102 0.000 2.450 360 F HA 0.318 4.846 4.527 0.003 0.000 0.332 360 F C 1.078 176.798 175.800 -0.133 0.000 1.093 360 F CA -1.036 56.874 58.000 -0.149 0.000 1.003 360 F CB 1.241 40.104 39.000 -0.229 0.000 1.151 360 F HN -0.094 nan 8.300 nan 0.000 0.474 361 S N 1.051 116.803 115.700 0.088 0.000 2.603 361 S HA 0.525 4.996 4.470 0.003 0.000 0.268 361 S C -0.098 174.507 174.600 0.008 0.000 1.317 361 S CA -0.812 57.406 58.200 0.030 0.000 1.012 361 S CB 0.994 64.209 63.200 0.025 0.000 0.926 361 S HN 0.501 nan 8.310 nan 0.000 0.539 362 S N 1.278 116.988 115.700 0.017 0.000 2.616 362 S HA 0.385 4.857 4.470 0.003 0.000 0.277 362 S C 1.226 175.848 174.600 0.038 0.000 1.234 362 S CA -0.837 57.376 58.200 0.022 0.000 1.028 362 S CB 0.868 64.095 63.200 0.044 0.000 0.988 362 S HN 0.671 nan 8.310 nan 0.000 0.522 363 L N 1.760 122.998 121.223 0.024 0.000 2.131 363 L HA 0.162 4.504 4.340 0.003 0.000 0.206 363 L C 1.640 178.585 176.870 0.125 0.000 1.087 363 L CA 0.838 55.700 54.840 0.036 0.000 0.767 363 L CB -1.088 40.893 42.059 -0.131 0.000 0.917 363 L HN 1.016 nan 8.230 nan 0.000 0.441 364 G N 0.208 109.130 108.800 0.203 0.000 2.562 364 G HA2 -0.259 3.702 3.960 0.003 0.000 0.250 364 G HA3 -0.259 3.702 3.960 0.003 0.000 0.250 364 G C -0.671 174.372 174.900 0.239 0.000 1.269 364 G CA -0.176 45.049 45.100 0.208 0.000 0.919 364 G HN 0.260 nan 8.290 nan 0.000 0.574 365 D N 1.870 122.351 120.400 0.136 0.000 2.365 365 D HA 0.475 5.117 4.640 0.003 0.000 0.237 365 D C 0.866 177.228 176.300 0.104 0.000 1.190 365 D CA 0.475 54.533 54.000 0.097 0.000 0.867 365 D CB 0.475 41.308 40.800 0.055 0.000 1.050 365 D HN 0.430 nan 8.370 nan 0.000 0.491 366 M N 1.556 121.233 119.600 0.128 0.000 2.528 366 M HA 0.405 4.887 4.480 0.003 0.000 0.318 366 M C 0.233 176.584 176.300 0.085 0.000 1.195 366 M CA -0.685 54.683 55.300 0.113 0.000 1.000 366 M CB 1.725 34.409 32.600 0.140 0.000 1.615 366 M HN 0.151 nan 8.290 nan 0.000 0.469 367 E N 0.381 120.626 120.200 0.075 0.000 2.408 367 E HA 0.900 5.252 4.350 0.003 0.000 0.275 367 E C -1.637 175.004 176.600 0.069 0.000 0.935 367 E CA -1.238 55.201 56.400 0.065 0.000 0.775 367 E CB 2.234 31.965 29.700 0.052 0.000 1.277 367 E HN 0.741 nan 8.360 nan 0.000 0.455 368 A N 0.763 123.625 122.820 0.070 0.000 2.599 368 A HA 0.673 4.994 4.320 0.003 0.000 0.290 368 A C -1.056 176.573 177.584 0.076 0.000 1.101 368 A CA -0.675 51.408 52.037 0.077 0.000 0.674 368 A CB 1.667 20.726 19.000 0.098 0.000 1.277 368 A HN 0.473 nan 8.150 nan 0.000 0.419 369 S N 0.036 115.785 115.700 0.082 0.000 2.565 369 S HA 0.467 4.938 4.470 0.003 0.000 0.276 369 S C -1.716 172.941 174.600 0.094 0.000 1.326 369 S CA -1.164 57.084 58.200 0.081 0.000 1.045 369 S CB 0.569 63.816 63.200 0.079 0.000 0.918 369 S HN 0.349 nan 8.310 nan 0.000 0.505 370 P HA -0.019 nan 4.420 nan 0.000 0.229 370 P C 0.747 178.115 177.300 0.113 0.000 1.150 370 P CA 0.908 64.065 63.100 0.095 0.000 0.765 370 P CB 0.053 31.804 31.700 0.086 0.000 0.783 371 L N -1.268 120.015 121.223 0.100 0.000 2.416 371 L HA 0.092 4.433 4.340 0.003 0.000 0.216 371 L C 1.419 178.375 176.870 0.144 0.000 1.098 371 L CA 0.293 55.183 54.840 0.084 0.000 0.840 371 L CB -0.186 41.875 42.059 0.002 0.000 0.981 371 L HN 0.113 nan 8.230 nan 0.000 0.462 372 E N -0.493 119.812 120.200 0.176 0.000 2.281 372 E HA 0.547 4.899 4.350 0.003 0.000 0.262 372 E C -1.222 175.519 176.600 0.235 0.000 0.933 372 E CA -0.747 55.809 56.400 0.260 0.000 0.809 372 E CB 2.646 32.542 29.700 0.327 0.000 1.242 372 E HN -0.250 nan 8.360 nan 0.000 0.418 373 V N 1.834 121.932 119.914 0.308 0.000 2.531 373 V HA 0.308 4.430 4.120 0.003 0.000 0.301 373 V C -0.465 175.853 176.094 0.374 0.000 1.034 373 V CA -0.895 61.579 62.300 0.290 0.000 0.865 373 V CB 1.680 33.657 31.823 0.257 0.000 0.995 373 V HN 0.616 nan 8.190 nan 0.000 0.424 374 K N 4.380 124.952 120.400 0.287 0.000 2.144 374 K HA 0.683 5.004 4.320 0.003 0.000 0.270 374 K C -0.777 175.976 176.600 0.256 0.000 1.005 374 K CA -0.395 56.056 56.287 0.273 0.000 0.932 374 K CB 2.117 34.736 32.500 0.199 0.000 1.021 374 K HN 0.559 nan 8.250 nan 0.000 0.462 375 I N 0.922 121.647 120.570 0.259 0.000 2.730 375 I HA 0.376 4.547 4.170 0.003 0.000 0.298 375 I C -0.827 175.403 176.117 0.188 0.000 1.089 375 I CA -0.714 60.690 61.300 0.173 0.000 1.041 375 I CB 1.846 39.932 38.000 0.143 0.000 1.235 375 I HN 0.785 nan 8.210 nan 0.000 0.423 376 A N 5.501 128.393 122.820 0.121 0.000 2.406 376 A HA 0.519 4.841 4.320 0.003 0.000 0.243 376 A C -1.170 176.502 177.584 0.147 0.000 1.082 376 A CA 0.321 52.462 52.037 0.174 0.000 0.786 376 A CB 0.167 19.249 19.000 0.138 0.000 1.029 376 A HN 0.561 nan 8.150 nan 0.000 0.495 377 F N 0.537 120.539 119.950 0.086 0.000 2.577 377 F HA 0.507 5.035 4.527 0.002 0.000 0.318 377 F C 0.373 176.225 175.800 0.087 0.000 1.065 377 F CA -0.302 57.749 58.000 0.084 0.000 0.929 377 F CB 2.335 41.382 39.000 0.079 0.000 1.237 377 F HN 0.842 nan 8.300 nan 0.000 0.468 378 N N -1.505 117.342 118.700 0.246 0.000 3.229 378 N HA 0.218 4.960 4.740 0.003 0.000 0.315 378 N C 0.288 175.924 175.510 0.209 0.000 1.520 378 N CA -0.213 52.960 53.050 0.205 0.000 0.769 378 N CB 0.358 38.929 38.487 0.141 0.000 1.766 378 N HN 0.344 nan 8.380 nan 0.000 0.618 379 S N -1.007 114.789 115.700 0.159 0.000 2.420 379 S HA -0.141 4.331 4.470 0.003 0.000 0.237 379 S C 0.974 175.653 174.600 0.131 0.000 1.023 379 S CA 0.828 59.112 58.200 0.140 0.000 0.991 379 S CB -0.378 62.890 63.200 0.112 0.000 0.792 379 S HN 0.522 nan 8.310 nan 0.000 0.488 380 K N 1.472 121.941 120.400 0.115 0.000 2.374 380 K HA 0.379 4.701 4.320 0.003 0.000 0.196 380 K C 1.238 177.886 176.600 0.080 0.000 1.023 380 K CA 0.632 56.973 56.287 0.091 0.000 1.103 380 K CB 0.312 32.853 32.500 0.070 0.000 0.848 380 K HN 0.588 nan 8.250 nan 0.000 0.528 381 G N 1.575 110.434 108.800 0.097 0.000 2.297 381 G HA2 -0.169 3.792 3.960 0.003 0.000 0.209 381 G HA3 -0.169 3.792 3.960 0.003 0.000 0.209 381 G C -0.491 174.146 174.900 -0.437 0.000 1.267 381 G CA -0.500 44.586 45.100 -0.025 0.000 1.127 381 G HN 0.177 nan 8.290 nan 0.000 0.498 382 I N -0.463 119.693 120.570 -0.689 0.000 2.754 382 I HA 0.728 4.899 4.170 0.003 0.000 0.285 382 I C 0.231 176.161 176.117 -0.311 0.000 1.166 382 I CA -0.285 60.574 61.300 -0.734 0.000 1.417 382 I CB 1.017 38.732 38.000 -0.474 0.000 1.382 382 I HN 0.787 nan 8.210 nan 0.000 0.588 383 I N 5.143 125.569 120.570 -0.240 0.000 2.610 383 I HA 0.250 4.422 4.170 0.003 0.000 0.289 383 I C -0.208 175.821 176.117 -0.146 0.000 1.163 383 I CA -0.639 60.585 61.300 -0.127 0.000 1.044 383 I CB 1.645 39.632 38.000 -0.022 0.000 1.251 383 I HN 0.820 nan 8.210 nan 0.000 0.424 384 N N 6.781 125.347 118.700 -0.224 0.000 2.375 384 N HA -0.088 4.654 4.740 0.003 0.000 0.220 384 N C 0.756 176.240 175.510 -0.043 0.000 1.170 384 N CA -0.174 52.688 53.050 -0.313 0.000 0.833 384 N CB 0.125 38.208 38.487 -0.674 0.000 1.069 384 N HN 0.832 nan 8.380 nan 0.000 0.479 385 Q N -1.092 118.747 119.800 0.065 0.000 2.435 385 Q HA 0.114 4.456 4.340 0.003 0.000 0.207 385 Q C -0.001 176.108 176.000 0.181 0.000 0.956 385 Q CA 0.531 56.446 55.803 0.187 0.000 0.917 385 Q CB 0.157 28.998 28.738 0.171 0.000 0.997 385 Q HN 0.230 nan 8.270 nan 0.000 0.497 386 G N 1.200 110.081 108.800 0.136 0.000 2.719 386 G HA2 0.591 4.553 3.960 0.003 0.000 0.298 386 G HA3 0.591 4.553 3.960 0.003 0.000 0.298 386 G C -1.576 173.393 174.900 0.115 0.000 1.433 386 G CA -0.673 44.490 45.100 0.105 0.000 1.034 386 G HN 0.127 nan 8.290 nan 0.000 0.517 387 L N 1.740 123.048 121.223 0.141 0.000 2.466 387 L HA 0.629 4.970 4.340 0.003 0.000 0.258 387 L C -0.826 176.129 176.870 0.141 0.000 0.973 387 L CA -0.829 54.101 54.840 0.149 0.000 0.826 387 L CB 2.820 44.977 42.059 0.163 0.000 1.372 387 L HN 0.359 nan 8.230 nan 0.000 0.409 388 I N 1.312 121.973 120.570 0.151 0.000 2.499 388 I HA 0.560 4.732 4.170 0.003 0.000 0.288 388 I C -0.709 175.500 176.117 0.155 0.000 1.048 388 I CA -0.283 61.100 61.300 0.138 0.000 1.062 388 I CB 2.234 40.308 38.000 0.123 0.000 1.238 388 I HN 0.527 nan 8.210 nan 0.000 0.426 389 S N 4.828 120.615 115.700 0.145 0.000 2.543 389 S HA 0.547 5.019 4.470 0.003 0.000 0.271 389 S C -0.760 173.912 174.600 0.120 0.000 1.148 389 S CA -0.656 57.625 58.200 0.136 0.000 0.914 389 S CB 1.695 64.972 63.200 0.128 0.000 1.096 389 S HN 0.482 nan 8.310 nan 0.000 0.471 390 V N 2.584 122.562 119.914 0.107 0.000 2.924 390 V HA 0.510 4.631 4.120 0.003 0.000 0.305 390 V C 0.583 176.729 176.094 0.087 0.000 1.073 390 V CA -0.589 61.766 62.300 0.091 0.000 1.098 390 V CB 0.391 32.263 31.823 0.081 0.000 1.000 390 V HN 0.999 nan 8.190 nan 0.000 0.484 391 K N 2.177 122.625 120.400 0.079 0.000 2.527 391 K HA -0.069 4.253 4.320 0.003 0.000 0.278 391 K C 0.654 177.292 176.600 0.063 0.000 0.981 391 K CA 1.090 57.419 56.287 0.071 0.000 1.009 391 K CB -0.180 32.358 32.500 0.063 0.000 0.895 391 K HN 1.143 nan 8.250 nan 0.000 0.493 392 D N 1.493 121.924 120.400 0.052 0.000 2.983 392 D HA -0.178 4.464 4.640 0.003 0.000 0.225 392 D C -0.561 175.772 176.300 0.054 0.000 1.174 392 D CA 1.320 55.345 54.000 0.042 0.000 0.831 392 D CB -0.986 39.841 40.800 0.045 0.000 1.104 392 D HN 0.618 nan 8.370 nan 0.000 0.421 393 S N -1.334 114.405 115.700 0.064 0.000 2.559 393 S HA -0.021 4.451 4.470 0.003 0.000 0.282 393 S C 1.265 175.916 174.600 0.085 0.000 1.336 393 S CA 0.023 58.279 58.200 0.092 0.000 1.037 393 S CB 0.672 63.932 63.200 0.099 0.000 0.853 393 S HN 0.267 nan 8.310 nan 0.000 0.523 394 Y N 1.663 121.956 120.300 -0.012 0.000 2.145 394 Y HA -0.151 4.400 4.550 0.002 0.000 0.286 394 Y C 2.666 178.519 175.900 -0.078 0.000 1.145 394 Y CA 1.594 59.666 58.100 -0.047 0.000 1.148 394 Y CB -0.845 37.558 38.460 -0.094 0.000 0.981 394 Y HN 0.867 nan 8.280 nan 0.000 0.507 395 C N -0.231 119.101 119.300 0.053 0.000 2.413 395 C HA -0.203 4.259 4.460 0.003 0.000 0.277 395 C C 3.153 178.052 174.990 -0.151 0.000 1.265 395 C CA 1.566 60.548 59.018 -0.059 0.000 1.752 395 C CB -1.555 26.203 27.740 0.030 0.000 1.998 395 C HN 0.804 nan 8.230 nan 0.000 0.489 396 S N 1.730 117.376 115.700 -0.090 0.000 2.370 396 S HA -0.212 4.260 4.470 0.003 0.000 0.226 396 S C 1.592 176.084 174.600 -0.179 0.000 1.033 396 S CA 1.901 60.029 58.200 -0.121 0.000 1.011 396 S CB -0.714 62.457 63.200 -0.048 0.000 0.852 396 S HN 0.691 nan 8.310 nan 0.000 0.457 397 N N 1.894 120.480 118.700 -0.189 0.000 2.120 397 N HA 0.027 4.768 4.740 0.003 0.000 0.188 397 N C 1.867 177.215 175.510 -0.270 0.000 1.024 397 N CA 1.458 54.370 53.050 -0.229 0.000 0.852 397 N CB -0.516 37.805 38.487 -0.278 0.000 1.003 397 N HN 0.431 nan 8.380 nan 0.000 0.424 398 L N 0.853 121.889 121.223 -0.312 0.000 2.083 398 L HA -0.106 4.236 4.340 0.003 0.000 0.209 398 L C 2.198 178.885 176.870 -0.304 0.000 1.083 398 L CA 0.847 55.514 54.840 -0.288 0.000 0.752 398 L CB -0.313 41.593 42.059 -0.256 0.000 0.899 398 L HN 0.093 nan 8.230 nan 0.000 0.433 399 I N -1.303 119.046 120.570 -0.368 0.000 2.193 399 I HA -0.225 3.946 4.170 0.003 0.000 0.240 399 I C 2.470 178.376 176.117 -0.351 0.000 1.084 399 I CA 0.785 61.795 61.300 -0.483 0.000 1.365 399 I CB -0.350 37.205 38.000 -0.743 0.000 1.064 399 I HN -0.069 nan 8.210 nan 0.000 0.410 400 V N 1.355 121.106 119.914 -0.272 0.000 2.278 400 V HA -0.390 3.731 4.120 0.003 0.000 0.251 400 V C 2.571 178.573 176.094 -0.154 0.000 1.062 400 V CA 2.461 64.650 62.300 -0.185 0.000 1.038 400 V CB -0.743 30.992 31.823 -0.146 0.000 0.646 400 V HN 0.451 nan 8.190 nan 0.000 0.447 401 K N -0.921 119.380 120.400 -0.165 0.000 2.097 401 K HA -0.199 4.122 4.320 0.003 0.000 0.205 401 K C 2.287 178.806 176.600 -0.136 0.000 1.050 401 K CA 1.259 57.464 56.287 -0.136 0.000 0.938 401 K CB -0.136 32.279 32.500 -0.142 0.000 0.718 401 K HN 0.380 nan 8.250 nan 0.000 0.442 402 Q N 0.794 120.487 119.800 -0.180 0.000 2.030 402 Q HA -0.172 4.169 4.340 0.003 0.000 0.204 402 Q C 2.209 178.128 176.000 -0.135 0.000 0.986 402 Q CA 1.806 57.496 55.803 -0.188 0.000 0.843 402 Q CB -0.277 28.311 28.738 -0.250 0.000 0.904 402 Q HN 0.447 nan 8.270 nan 0.000 0.420 403 I N 0.835 121.341 120.570 -0.107 0.000 2.151 403 I HA -0.304 3.867 4.170 0.003 0.000 0.243 403 I C 2.192 178.382 176.117 0.122 0.000 1.080 403 I CA 1.449 62.764 61.300 0.024 0.000 1.339 403 I CB -0.386 37.623 38.000 0.015 0.000 1.039 403 I HN 0.273 nan 8.210 nan 0.000 0.409 404 E N 0.488 120.703 120.200 0.026 0.000 2.110 404 E HA -0.254 4.098 4.350 0.003 0.000 0.193 404 E C 1.815 178.436 176.600 0.034 0.000 0.988 404 E CA 1.440 57.857 56.400 0.030 0.000 0.804 404 E CB -0.227 29.452 29.700 -0.034 0.000 0.745 404 E HN 0.418 nan 8.360 nan 0.000 0.458 405 N N 0.791 119.478 118.700 -0.022 0.000 2.270 405 N HA -0.090 4.652 4.740 0.003 0.000 0.181 405 N C 1.608 177.095 175.510 -0.038 0.000 1.016 405 N CA 0.800 53.824 53.050 -0.042 0.000 0.870 405 N CB 0.185 38.618 38.487 -0.090 0.000 0.979 405 N HN -0.009 nan 8.380 nan 0.000 0.431 406 R N -1.190 119.281 120.500 -0.048 0.000 2.066 406 R HA -0.063 4.279 4.340 0.003 0.000 0.232 406 R C 1.709 178.056 176.300 0.079 0.000 1.131 406 R CA 1.450 57.540 56.100 -0.017 0.000 0.955 406 R CB -0.427 29.843 30.300 -0.051 0.000 0.851 406 R HN 0.333 nan 8.270 nan 0.000 0.432 407 Y N 1.081 121.394 120.300 0.022 0.000 2.293 407 Y HA -0.207 4.345 4.550 0.003 0.000 0.291 407 Y C 2.455 178.340 175.900 -0.024 0.000 1.137 407 Y CA 1.445 59.534 58.100 -0.018 0.000 1.202 407 Y CB -0.066 38.370 38.460 -0.042 0.000 0.990 407 Y HN 0.012 nan 8.280 nan 0.000 0.537 408 K N 0.709 121.184 120.400 0.126 0.000 2.063 408 K HA -0.202 4.119 4.320 0.003 0.000 0.208 408 K C 1.786 178.417 176.600 0.052 0.000 1.048 408 K CA 1.924 58.249 56.287 0.063 0.000 0.928 408 K CB -0.405 32.113 32.500 0.031 0.000 0.713 408 K HN 0.327 nan 8.250 nan 0.000 0.442 409 I N 1.155 121.765 120.570 0.068 0.000 2.252 409 I HA -0.259 3.912 4.170 0.003 0.000 0.245 409 I C 2.383 178.544 176.117 0.074 0.000 1.102 409 I CA 0.481 61.834 61.300 0.089 0.000 1.385 409 I CB -0.281 37.821 38.000 0.170 0.000 1.064 409 I HN 0.213 nan 8.210 nan 0.000 0.414 410 L N 1.283 122.527 121.223 0.035 0.000 1.971 410 L HA -0.247 4.094 4.340 0.003 0.000 0.215 410 L C 2.102 178.951 176.870 -0.035 0.000 1.072 410 L CA 2.071 56.875 54.840 -0.061 0.000 0.758 410 L CB -0.926 40.946 42.059 -0.313 0.000 0.889 410 L HN 0.212 nan 8.230 nan 0.000 0.433 411 N N -0.062 118.618 118.700 -0.033 0.000 2.309 411 N HA -0.169 4.572 4.740 0.003 0.000 0.182 411 N C 1.664 177.177 175.510 0.005 0.000 1.018 411 N CA 1.221 54.255 53.050 -0.026 0.000 0.876 411 N CB -0.662 37.830 38.487 0.009 0.000 0.972 411 N HN 0.548 nan 8.380 nan 0.000 0.434 412 N N 0.293 119.009 118.700 0.027 0.000 2.223 412 N HA -0.033 4.709 4.740 0.003 0.000 0.185 412 N C 1.289 176.829 175.510 0.051 0.000 1.016 412 N CA 1.295 54.364 53.050 0.032 0.000 0.863 412 N CB 0.059 38.564 38.487 0.031 0.000 0.983 412 N HN -0.044 nan 8.380 nan 0.000 0.429 413 S N -0.643 115.114 115.700 0.095 0.000 2.441 413 S HA 0.118 4.590 4.470 0.003 0.000 0.224 413 S C 1.512 176.248 174.600 0.227 0.000 1.043 413 S CA -0.076 58.225 58.200 0.167 0.000 0.948 413 S CB -0.100 63.219 63.200 0.198 0.000 0.810 413 S HN 0.293 nan 8.310 nan 0.000 0.504 414 L N 2.734 124.018 121.223 0.102 0.000 2.044 414 L HA 0.058 4.400 4.340 0.003 0.000 0.205 414 L C 1.516 178.333 176.870 -0.090 0.000 1.075 414 L CA 1.735 56.461 54.840 -0.191 0.000 0.747 414 L CB -0.882 40.905 42.059 -0.454 0.000 0.903 414 L HN 0.237 nan 8.230 nan 0.000 0.435 415 N N -0.378 118.297 118.700 -0.042 0.000 2.058 415 N HA -0.149 4.593 4.740 0.003 0.000 0.191 415 N C -1.028 174.482 175.510 -0.001 0.000 1.037 415 N CA 1.562 54.599 53.050 -0.021 0.000 0.848 415 N CB -1.002 37.477 38.487 -0.013 0.000 1.021 415 N HN 0.335 nan 8.380 nan 0.000 0.422 416 P HA -0.139 nan 4.420 nan 0.000 0.215 416 P C 0.987 178.302 177.300 0.025 0.000 1.153 416 P CA 1.293 64.405 63.100 0.019 0.000 0.853 416 P CB -0.030 31.685 31.700 0.024 0.000 0.788 417 A N -0.458 122.384 122.820 0.037 0.000 1.883 417 A HA -0.200 4.121 4.320 0.003 0.000 0.217 417 A C 2.264 179.868 177.584 0.032 0.000 1.186 417 A CA 1.682 53.744 52.037 0.042 0.000 0.624 417 A CB -1.669 17.379 19.000 0.081 0.000 0.822 417 A HN 0.123 nan 8.150 nan 0.000 0.444 418 I N 0.529 121.114 120.570 0.024 0.000 2.394 418 I HA -0.223 3.949 4.170 0.003 0.000 0.251 418 I C 2.792 178.941 176.117 0.053 0.000 1.136 418 I CA 1.537 62.875 61.300 0.063 0.000 1.425 418 I CB -0.154 37.876 38.000 0.049 0.000 1.079 418 I HN 0.538 nan 8.210 nan 0.000 0.425 419 S N 0.040 115.757 115.700 0.029 0.000 2.453 419 S HA -0.053 4.418 4.470 0.003 0.000 0.231 419 S C 0.765 175.381 174.600 0.025 0.000 1.005 419 S CA 0.070 58.282 58.200 0.022 0.000 0.949 419 S CB -0.493 62.713 63.200 0.011 0.000 0.774 419 S HN 0.392 nan 8.310 nan 0.000 0.510 420 E N 2.081 122.298 120.200 0.028 0.000 2.415 420 E HA 0.073 4.424 4.350 0.003 0.000 0.260 420 E C -0.987 175.641 176.600 0.047 0.000 1.016 420 E CA 0.079 56.497 56.400 0.030 0.000 0.924 420 E CB 0.382 30.097 29.700 0.024 0.000 0.961 420 E HN 0.395 nan 8.360 nan 0.000 0.459 421 D N 3.763 124.191 120.400 0.046 0.000 2.896 421 D HA 0.062 4.703 4.640 0.003 0.000 0.240 421 D C -0.607 175.742 176.300 0.082 0.000 1.193 421 D CA -0.070 53.970 54.000 0.065 0.000 0.983 421 D CB -0.202 40.626 40.800 0.047 0.000 1.074 421 D HN 0.310 nan 8.370 nan 0.000 0.496 422 N N 0.448 119.204 118.700 0.093 0.000 2.502 422 N HA 0.260 5.002 4.740 0.003 0.000 0.280 422 N C -0.324 175.273 175.510 0.145 0.000 1.223 422 N CA -1.072 52.028 53.050 0.082 0.000 0.966 422 N CB 0.754 39.261 38.487 0.032 0.000 1.203 422 N HN 0.269 nan 8.380 nan 0.000 0.565 423 D N -0.392 120.073 120.400 0.108 0.000 2.372 423 D HA -0.095 4.547 4.640 0.003 0.000 0.243 423 D C 0.836 177.135 176.300 -0.003 0.000 1.297 423 D CA -0.323 53.770 54.000 0.155 0.000 0.958 423 D CB 0.164 41.035 40.800 0.117 0.000 1.114 423 D HN 0.392 nan 8.370 nan 0.000 0.496 424 F N 0.768 120.599 119.950 -0.198 0.000 2.063 424 F HA -0.273 4.256 4.527 0.002 0.000 0.298 424 F C 1.759 177.347 175.800 -0.353 0.000 1.109 424 F CA 2.009 59.663 58.000 -0.577 0.000 1.212 424 F CB -0.584 38.245 39.000 -0.284 0.000 0.973 424 F HN 0.214 nan 8.300 nan 0.000 0.480 425 N N -0.194 118.290 118.700 -0.359 0.000 2.106 425 N HA -0.132 4.610 4.740 0.003 0.000 0.188 425 N C 1.831 177.156 175.510 -0.308 0.000 1.029 425 N CA 2.152 54.964 53.050 -0.396 0.000 0.848 425 N CB -1.047 37.359 38.487 -0.136 0.000 1.007 425 N HN 0.340 nan 8.380 nan 0.000 0.423 426 T N 0.416 114.858 114.554 -0.187 0.000 2.720 426 T HA -0.099 4.253 4.350 0.003 0.000 0.268 426 T C 1.947 176.556 174.700 -0.151 0.000 1.037 426 T CA 1.682 63.705 62.100 -0.129 0.000 1.144 426 T CB -0.641 68.189 68.868 -0.063 0.000 0.864 426 T HN 0.278 nan 8.240 nan 0.000 0.444 427 T N 1.941 116.367 114.554 -0.212 0.000 2.674 427 T HA -0.119 4.232 4.350 0.003 0.000 0.265 427 T C 2.347 176.945 174.700 -0.171 0.000 1.039 427 T CA 1.700 63.692 62.100 -0.180 0.000 1.150 427 T CB -0.838 67.874 68.868 -0.260 0.000 0.864 427 T HN 0.396 nan 8.240 nan 0.000 0.427 428 T N 2.744 117.082 114.554 -0.360 0.000 2.665 428 T HA -0.156 4.196 4.350 0.003 0.000 0.268 428 T C 2.019 176.643 174.700 -0.126 0.000 1.035 428 T CA 1.319 63.256 62.100 -0.272 0.000 1.151 428 T CB -0.466 68.028 68.868 -0.623 0.000 0.862 428 T HN 0.309 nan 8.240 nan 0.000 0.438 429 N N 0.519 119.117 118.700 -0.170 0.000 2.223 429 N HA -0.050 4.692 4.740 0.003 0.000 0.185 429 N C 2.046 177.509 175.510 -0.078 0.000 1.016 429 N CA 1.179 54.154 53.050 -0.124 0.000 0.863 429 N CB -0.674 37.743 38.487 -0.116 0.000 0.983 429 N HN 0.368 nan 8.380 nan 0.000 0.429 430 T N 0.755 115.285 114.554 -0.040 0.000 2.812 430 T HA -0.052 4.299 4.350 0.003 0.000 0.264 430 T C 1.576 176.303 174.700 0.044 0.000 1.042 430 T CA 0.465 62.563 62.100 -0.005 0.000 1.140 430 T CB -0.311 68.561 68.868 0.006 0.000 0.870 430 T HN 0.193 nan 8.240 nan 0.000 0.445 431 F N 1.989 121.881 119.950 -0.096 0.000 2.134 431 F HA 0.031 4.559 4.527 0.003 0.000 0.299 431 F C 1.868 177.616 175.800 -0.087 0.000 1.097 431 F CA 0.774 58.724 58.000 -0.083 0.000 1.264 431 F CB -0.646 38.305 39.000 -0.083 0.000 1.001 431 F HN 0.098 nan 8.300 nan 0.000 0.479 432 I N 0.256 120.594 120.570 -0.386 0.000 2.252 432 I HA -0.264 3.908 4.170 0.003 0.000 0.245 432 I C 1.987 177.934 176.117 -0.283 0.000 1.102 432 I CA 1.390 62.408 61.300 -0.470 0.000 1.385 432 I CB -0.677 37.137 38.000 -0.310 0.000 1.064 432 I HN 0.058 nan 8.210 nan 0.000 0.414 433 D N 0.327 120.625 120.400 -0.170 0.000 2.123 433 D HA -0.190 4.451 4.640 0.003 0.000 0.196 433 D C 2.287 178.522 176.300 -0.109 0.000 0.992 433 D CA 1.606 55.536 54.000 -0.117 0.000 0.833 433 D CB -0.218 40.537 40.800 -0.075 0.000 0.954 433 D HN 0.202 nan 8.370 nan 0.000 0.455 434 S N -0.159 115.481 115.700 -0.101 0.000 2.345 434 S HA -0.102 4.370 4.470 0.003 0.000 0.220 434 S C 2.037 176.571 174.600 -0.110 0.000 1.031 434 S CA 0.392 58.551 58.200 -0.068 0.000 0.996 434 S CB -0.157 63.043 63.200 0.001 0.000 0.882 434 S HN 0.032 nan 8.310 nan 0.000 0.445 435 I N 2.104 122.539 120.570 -0.225 0.000 2.145 435 I HA -0.251 3.920 4.170 0.003 0.000 0.244 435 I C 2.516 178.530 176.117 -0.172 0.000 1.075 435 I CA 1.814 62.959 61.300 -0.259 0.000 1.332 435 I CB -1.383 36.320 38.000 -0.495 0.000 1.033 435 I HN 0.467 nan 8.210 nan 0.000 0.410 436 M N -0.040 119.457 119.600 -0.172 0.000 2.117 436 M HA -0.186 4.295 4.480 0.003 0.000 0.262 436 M C 2.355 178.608 176.300 -0.078 0.000 1.065 436 M CA 2.078 57.307 55.300 -0.118 0.000 1.114 436 M CB -0.499 32.032 32.600 -0.114 0.000 1.361 436 M HN 0.264 nan 8.290 nan 0.000 0.408 437 A N -0.285 122.493 122.820 -0.070 0.000 2.067 437 A HA -0.108 4.214 4.320 0.003 0.000 0.219 437 A C 1.914 179.477 177.584 -0.035 0.000 1.158 437 A CA 1.297 53.306 52.037 -0.046 0.000 0.661 437 A CB -0.322 18.655 19.000 -0.039 0.000 0.801 437 A HN 0.380 nan 8.150 nan 0.000 0.452 438 E N -0.129 120.047 120.200 -0.039 0.000 2.400 438 E HA 0.239 4.591 4.350 0.003 0.000 0.195 438 E C 0.892 177.484 176.600 -0.013 0.000 1.012 438 E CA 0.580 56.967 56.400 -0.021 0.000 0.875 438 E CB -0.305 29.386 29.700 -0.015 0.000 0.859 438 E HN 0.530 nan 8.360 nan 0.000 0.498 439 A N 2.407 125.213 122.820 -0.024 0.000 2.462 439 A HA 0.277 4.599 4.320 0.003 0.000 0.243 439 A C 0.401 177.982 177.584 -0.004 0.000 1.076 439 A CA -0.238 51.793 52.037 -0.009 0.000 0.773 439 A CB -0.061 18.923 19.000 -0.026 0.000 1.010 439 A HN 0.265 nan 8.150 nan 0.000 0.493 440 N N 0.169 118.874 118.700 0.008 0.000 3.091 440 N HA 0.630 5.371 4.740 0.003 0.000 0.329 440 N C 0.753 176.268 175.510 0.009 0.000 1.430 440 N CA -0.151 52.901 53.050 0.004 0.000 0.755 440 N CB 0.579 39.068 38.487 0.004 0.000 1.626 440 N HN 0.459 nan 8.380 nan 0.000 0.614 441 A N -0.543 122.282 122.820 0.007 0.000 1.908 441 A HA -0.207 4.114 4.320 0.003 0.000 0.218 441 A C 1.420 179.015 177.584 0.017 0.000 1.181 441 A CA 2.114 54.157 52.037 0.010 0.000 0.627 441 A CB -1.085 17.918 19.000 0.006 0.000 0.818 441 A HN 0.866 nan 8.150 nan 0.000 0.445 442 D N -0.931 119.479 120.400 0.016 0.000 2.339 442 D HA -0.068 4.574 4.640 0.003 0.000 0.217 442 D C 0.644 176.958 176.300 0.023 0.000 1.050 442 D CA 0.953 54.965 54.000 0.020 0.000 0.856 442 D CB -0.351 40.457 40.800 0.014 0.000 0.922 442 D HN 0.542 nan 8.370 nan 0.000 0.518 443 N N -0.343 118.380 118.700 0.038 0.000 2.159 443 N HA 0.074 4.816 4.740 0.003 0.000 0.217 443 N C 1.864 177.449 175.510 0.126 0.000 1.223 443 N CA 0.456 53.557 53.050 0.085 0.000 0.896 443 N CB -0.551 37.990 38.487 0.090 0.000 1.064 443 N HN 0.036 nan 8.380 nan 0.000 0.518 444 G N 1.650 110.489 108.800 0.066 0.000 2.624 444 G HA2 -0.371 3.591 3.960 0.003 0.000 0.221 444 G HA3 -0.371 3.591 3.960 0.003 0.000 0.221 444 G C 1.673 176.598 174.900 0.043 0.000 1.169 444 G CA 1.048 46.172 45.100 0.038 0.000 0.771 444 G HN 0.363 nan 8.290 nan 0.000 0.598 445 R N -0.995 119.545 120.500 0.066 0.000 2.075 445 R HA 0.008 4.350 4.340 0.003 0.000 0.232 445 R C 2.376 178.725 176.300 0.082 0.000 1.126 445 R CA 1.147 57.283 56.100 0.060 0.000 0.963 445 R CB -0.520 29.820 30.300 0.066 0.000 0.858 445 R HN 0.436 nan 8.270 nan 0.000 0.435 446 F N 1.452 121.389 119.950 -0.023 0.000 2.091 446 F HA -0.286 4.243 4.527 0.003 0.000 0.299 446 F C 2.127 177.901 175.800 -0.043 0.000 1.103 446 F CA 1.571 59.552 58.000 -0.031 0.000 1.228 446 F CB -0.104 38.874 39.000 -0.037 0.000 0.984 446 F HN -0.088 nan 8.300 nan 0.000 0.477 447 M N -0.184 119.364 119.600 -0.088 0.000 2.117 447 M HA -0.238 4.243 4.480 0.003 0.000 0.262 447 M C 2.292 178.452 176.300 -0.233 0.000 1.065 447 M CA 1.687 56.861 55.300 -0.211 0.000 1.114 447 M CB -1.333 31.225 32.600 -0.070 0.000 1.361 447 M HN 0.312 nan 8.290 nan 0.000 0.408 448 M N -0.425 119.090 119.600 -0.143 0.000 2.213 448 M HA -0.181 4.301 4.480 0.003 0.000 0.263 448 M C 1.750 177.969 176.300 -0.135 0.000 1.062 448 M CA 1.215 56.440 55.300 -0.125 0.000 1.105 448 M CB -0.340 32.219 32.600 -0.069 0.000 1.385 448 M HN 0.140 nan 8.290 nan 0.000 0.417 449 E N 0.259 120.364 120.200 -0.159 0.000 2.285 449 E HA -0.000 4.351 4.350 0.003 0.000 0.194 449 E C 2.044 178.543 176.600 -0.168 0.000 0.997 449 E CA 0.813 57.132 56.400 -0.135 0.000 0.845 449 E CB -0.114 29.520 29.700 -0.111 0.000 0.782 449 E HN 0.552 nan 8.360 nan 0.000 0.491 450 L N 0.040 121.081 121.223 -0.303 0.000 2.156 450 L HA -0.008 4.333 4.340 0.003 0.000 0.208 450 L C 2.391 179.254 176.870 -0.013 0.000 1.095 450 L CA 0.959 55.673 54.840 -0.209 0.000 0.770 450 L CB -0.751 41.091 42.059 -0.363 0.000 0.914 450 L HN 0.159 nan 8.230 nan 0.000 0.439 451 G N 0.749 109.431 108.800 -0.197 0.000 2.532 451 G HA2 -0.279 3.682 3.960 0.003 0.000 0.222 451 G HA3 -0.279 3.682 3.960 0.003 0.000 0.222 451 G C 1.536 176.472 174.900 0.059 0.000 1.102 451 G CA 0.849 45.809 45.100 -0.233 0.000 0.742 451 G HN 0.419 nan 8.290 nan 0.000 0.577 452 K N -1.078 119.385 120.400 0.104 0.000 2.374 452 K HA 0.197 4.518 4.320 0.003 0.000 0.196 452 K C 1.681 178.410 176.600 0.216 0.000 1.023 452 K CA -0.418 55.942 56.287 0.122 0.000 1.103 452 K CB 0.022 32.554 32.500 0.054 0.000 0.848 452 K HN 0.248 nan 8.250 nan 0.000 0.528 453 Y N 2.116 122.513 120.300 0.161 0.000 2.132 453 Y HA -0.276 4.276 4.550 0.002 0.000 0.280 453 Y C 1.496 177.468 175.900 0.120 0.000 1.193 453 Y CA 1.596 59.762 58.100 0.110 0.000 1.157 453 Y CB -0.208 38.293 38.460 0.069 0.000 0.966 453 Y HN -0.019 nan 8.280 nan 0.000 0.511 454 L N -0.198 121.131 121.223 0.178 0.000 2.362 454 L HA -0.142 4.199 4.340 0.003 0.000 0.219 454 L C 1.886 178.896 176.870 0.234 0.000 1.134 454 L CA 1.047 55.978 54.840 0.151 0.000 0.807 454 L CB -0.327 41.893 42.059 0.268 0.000 0.927 454 L HN 0.184 nan 8.230 nan 0.000 0.447 455 R N -0.798 119.835 120.500 0.220 0.000 2.334 455 R HA 0.157 4.499 4.340 0.003 0.000 0.216 455 R C 0.197 176.637 176.300 0.234 0.000 0.905 455 R CA -0.245 56.022 56.100 0.278 0.000 1.064 455 R CB 0.319 30.735 30.300 0.193 0.000 1.046 455 R HN 0.035 nan 8.270 nan 0.000 0.508 456 V N 1.577 121.532 119.914 0.070 0.000 2.509 456 V HA 0.051 4.173 4.120 0.003 0.000 0.297 456 V C 1.412 177.378 176.094 -0.214 0.000 1.014 456 V CA 1.553 63.850 62.300 -0.005 0.000 1.127 456 V CB 0.529 32.327 31.823 -0.041 0.000 0.925 456 V HN 0.778 nan 8.190 nan 0.000 0.480 457 G N 4.434 113.146 108.800 -0.147 0.000 2.213 457 G HA2 -0.267 3.694 3.960 0.003 0.000 0.236 457 G HA3 -0.267 3.694 3.960 0.003 0.000 0.236 457 G C 0.190 174.980 174.900 -0.182 0.000 0.991 457 G CA 0.372 45.297 45.100 -0.291 0.000 0.629 457 G HN 0.650 nan 8.290 nan 0.000 0.517 458 F N -0.914 119.265 119.950 0.382 0.000 2.767 458 F HA 0.642 5.171 4.527 0.003 0.000 0.323 458 F C 0.382 176.525 175.800 0.571 0.000 1.091 458 F CA -0.940 57.327 58.000 0.445 0.000 1.192 458 F CB 0.494 39.658 39.000 0.275 0.000 1.056 458 F HN 0.119 nan 8.300 nan 0.000 0.571 459 F N 2.312 122.436 119.950 0.290 0.000 2.588 459 F HA 0.606 5.135 4.527 0.002 0.000 0.310 459 F C -2.601 172.775 175.800 -0.708 0.000 1.082 459 F CA -2.791 55.201 58.000 -0.014 0.000 0.929 459 F CB 1.937 40.966 39.000 0.048 0.000 1.254 459 F HN -0.332 nan 8.300 nan 0.000 0.455 460 P HA 0.077 nan 4.420 nan 0.000 0.271 460 P C -0.634 176.356 177.300 -0.516 0.000 1.216 460 P CA 0.431 62.819 63.100 -1.186 0.000 0.776 460 P CB 0.784 32.028 31.700 -0.759 0.000 0.881 461 D N 1.041 121.139 120.400 -0.503 0.000 2.699 461 D HA -0.136 4.506 4.640 0.003 0.000 0.239 461 D C -1.163 175.061 176.300 -0.127 0.000 1.136 461 D CA 0.616 54.468 54.000 -0.247 0.000 0.668 461 D CB -1.337 39.378 40.800 -0.142 0.000 1.060 461 D HN 0.025 nan 8.370 nan 0.000 0.429 462 V N 2.145 121.971 119.914 -0.146 0.000 2.313 462 V HA 0.320 4.442 4.120 0.003 0.000 0.278 462 V C 1.008 177.112 176.094 0.016 0.000 1.017 462 V CA -0.472 61.819 62.300 -0.016 0.000 0.823 462 V CB 1.852 33.702 31.823 0.045 0.000 1.010 462 V HN 0.050 nan 8.190 nan 0.000 0.443 463 K N 2.062 122.519 120.400 0.096 0.000 2.506 463 K HA 0.159 4.481 4.320 0.003 0.000 0.204 463 K C 1.506 178.299 176.600 0.322 0.000 1.045 463 K CA -0.102 56.340 56.287 0.258 0.000 1.074 463 K CB 0.997 33.586 32.500 0.147 0.000 0.842 463 K HN 0.625 nan 8.250 nan 0.000 0.514 464 T N 1.426 116.112 114.554 0.219 0.000 2.751 464 T HA -0.189 4.163 4.350 0.003 0.000 0.268 464 T C 1.726 176.503 174.700 0.129 0.000 1.045 464 T CA 2.230 64.420 62.100 0.150 0.000 1.142 464 T CB -0.216 68.755 68.868 0.172 0.000 0.851 464 T HN 0.277 nan 8.240 nan 0.000 0.474 465 T N 1.884 116.512 114.554 0.123 0.000 2.737 465 T HA -0.073 4.278 4.350 0.003 0.000 0.269 465 T C 1.884 176.573 174.700 -0.018 0.000 1.040 465 T CA 1.073 63.138 62.100 -0.060 0.000 1.142 465 T CB -0.476 68.087 68.868 -0.508 0.000 0.861 465 T HN 0.407 nan 8.240 nan 0.000 0.456 466 I N 1.579 122.199 120.570 0.084 0.000 2.335 466 I HA -0.183 3.988 4.170 0.003 0.000 0.251 466 I C 2.115 178.291 176.117 0.098 0.000 1.129 466 I CA 1.112 62.475 61.300 0.104 0.000 1.402 466 I CB -0.283 37.821 38.000 0.173 0.000 1.069 466 I HN 0.334 nan 8.210 nan 0.000 0.424 467 N N -0.239 118.527 118.700 0.110 0.000 2.373 467 N HA -0.012 4.729 4.740 0.003 0.000 0.181 467 N C 1.507 177.160 175.510 0.239 0.000 1.082 467 N CA 0.598 53.749 53.050 0.169 0.000 0.885 467 N CB 0.747 39.318 38.487 0.140 0.000 0.977 467 N HN 0.248 nan 8.380 nan 0.000 0.462 468 L N 0.224 121.517 121.223 0.117 0.000 2.590 468 L HA 0.142 4.484 4.340 0.003 0.000 0.181 468 L C 1.836 178.737 176.870 0.053 0.000 1.134 468 L CA 1.217 56.083 54.840 0.043 0.000 0.850 468 L CB -0.326 41.629 42.059 -0.173 0.000 1.172 468 L HN -0.003 nan 8.230 nan 0.000 0.498 469 S N -1.776 113.972 115.700 0.079 0.000 2.578 469 S HA 0.440 4.912 4.470 0.003 0.000 0.228 469 S C 0.897 175.557 174.600 0.100 0.000 1.022 469 S CA 0.053 58.325 58.200 0.120 0.000 0.967 469 S CB 0.102 63.405 63.200 0.171 0.000 0.914 469 S HN 0.315 nan 8.310 nan 0.000 0.515 470 G N 1.958 110.807 108.800 0.082 0.000 2.736 470 G HA2 0.515 4.476 3.960 0.003 0.000 0.229 470 G HA3 0.515 4.476 3.960 0.003 0.000 0.229 470 G C -1.995 173.003 174.900 0.163 0.000 1.380 470 G CA -1.589 43.563 45.100 0.087 0.000 1.040 470 G HN 0.041 nan 8.290 nan 0.000 0.568 471 P HA -0.157 nan 4.420 nan 0.000 0.218 471 P C 1.484 178.844 177.300 0.100 0.000 1.152 471 P CA 1.651 64.758 63.100 0.013 0.000 0.857 471 P CB 0.211 31.888 31.700 -0.038 0.000 0.787 472 E N -0.864 119.386 120.200 0.084 0.000 2.204 472 E HA -0.157 4.194 4.350 0.003 0.000 0.194 472 E C 1.907 178.509 176.600 0.004 0.000 0.989 472 E CA 0.877 57.309 56.400 0.053 0.000 0.824 472 E CB -0.393 29.352 29.700 0.076 0.000 0.756 472 E HN 0.099 nan 8.360 nan 0.000 0.477 473 A N 0.047 122.877 122.820 0.016 0.000 1.933 473 A HA -0.173 4.149 4.320 0.003 0.000 0.218 473 A C 1.690 179.100 177.584 -0.291 0.000 1.175 473 A CA 1.171 53.127 52.037 -0.135 0.000 0.628 473 A CB -0.665 18.240 19.000 -0.157 0.000 0.814 473 A HN 0.341 nan 8.150 nan 0.000 0.444 474 Y N -0.130 119.989 120.300 -0.302 0.000 2.133 474 Y HA -0.035 4.516 4.550 0.002 0.000 0.287 474 Y C 2.964 178.462 175.900 -0.669 0.000 1.134 474 Y CA 0.815 58.584 58.100 -0.551 0.000 1.133 474 Y CB -0.859 37.368 38.460 -0.389 0.000 0.987 474 Y HN 0.293 nan 8.280 nan 0.000 0.502 475 A N 0.276 123.031 122.820 -0.107 0.000 1.948 475 A HA -0.234 4.088 4.320 0.003 0.000 0.220 475 A C 2.422 179.931 177.584 -0.125 0.000 1.177 475 A CA 2.232 54.254 52.037 -0.024 0.000 0.636 475 A CB -1.272 17.744 19.000 0.027 0.000 0.815 475 A HN 0.440 nan 8.150 nan 0.000 0.449 476 A N -0.551 122.161 122.820 -0.180 0.000 1.929 476 A HA 0.280 4.601 4.320 0.003 0.000 0.216 476 A C 2.474 179.923 177.584 -0.226 0.000 1.176 476 A CA 1.741 53.669 52.037 -0.182 0.000 0.628 476 A CB -0.882 18.007 19.000 -0.186 0.000 0.816 476 A HN 1.031 nan 8.150 nan 0.000 0.444 477 A N -0.955 121.652 122.820 -0.355 0.000 1.902 477 A HA -0.059 4.263 4.320 0.003 0.000 0.217 477 A C 2.047 179.445 177.584 -0.310 0.000 1.181 477 A CA 1.560 53.368 52.037 -0.382 0.000 0.623 477 A CB -0.810 17.862 19.000 -0.547 0.000 0.818 477 A HN 0.538 nan 8.150 nan 0.000 0.443 478 Y N -0.154 119.969 120.300 -0.295 0.000 2.224 478 Y HA -0.204 4.347 4.550 0.002 0.000 0.289 478 Y C 2.599 178.379 175.900 -0.200 0.000 1.146 478 Y CA 1.206 59.065 58.100 -0.401 0.000 1.182 478 Y CB -0.975 37.161 38.460 -0.541 0.000 0.983 478 Y HN 0.535 nan 8.280 nan 0.000 0.524 479 Q N 0.239 120.020 119.800 -0.031 0.000 2.119 479 Q HA -0.177 4.165 4.340 0.003 0.000 0.201 479 Q C 1.528 177.504 176.000 -0.039 0.000 0.972 479 Q CA 1.624 57.387 55.803 -0.068 0.000 0.847 479 Q CB -0.008 28.638 28.738 -0.154 0.000 0.903 479 Q HN 0.347 nan 8.270 nan 0.000 0.433 480 D N 0.545 120.916 120.400 -0.048 0.000 2.103 480 D HA -0.212 4.430 4.640 0.003 0.000 0.190 480 D C 1.889 178.214 176.300 0.042 0.000 0.997 480 D CA 1.070 55.069 54.000 -0.002 0.000 0.833 480 D CB -0.355 40.426 40.800 -0.031 0.000 0.961 480 D HN 0.220 nan 8.370 nan 0.000 0.447 481 L N 0.442 121.672 121.223 0.013 0.000 1.990 481 L HA -0.159 4.182 4.340 0.003 0.000 0.213 481 L C 2.264 179.070 176.870 -0.106 0.000 1.072 481 L CA 1.534 56.370 54.840 -0.008 0.000 0.755 481 L CB -0.347 41.687 42.059 -0.041 0.000 0.889 481 L HN 0.054 nan 8.230 nan 0.000 0.432 482 L N -1.631 119.525 121.223 -0.112 0.000 2.418 482 L HA -0.042 4.300 4.340 0.003 0.000 0.218 482 L C 1.745 178.401 176.870 -0.357 0.000 1.125 482 L CA 0.153 54.852 54.840 -0.235 0.000 0.835 482 L CB -0.290 41.758 42.059 -0.019 0.000 0.953 482 L HN 0.290 nan 8.230 nan 0.000 0.454 483 M N -0.876 118.624 119.600 -0.167 0.000 2.428 483 M HA 0.149 4.631 4.480 0.003 0.000 0.239 483 M C -0.113 176.257 176.300 0.116 0.000 1.121 483 M CA -0.025 55.276 55.300 0.001 0.000 1.019 483 M CB -0.295 32.366 32.600 0.102 0.000 1.485 483 M HN 0.043 nan 8.290 nan 0.000 0.484 484 F N 1.952 121.995 119.950 0.154 0.000 2.983 484 F HA -0.323 4.205 4.527 0.002 0.000 0.288 484 F C 0.569 176.434 175.800 0.108 0.000 0.980 484 F CA 0.726 58.803 58.000 0.127 0.000 0.965 484 F CB -2.101 36.888 39.000 -0.019 0.000 0.967 484 F HN 0.306 nan 8.300 nan 0.000 0.800 485 K N -1.515 119.031 120.400 0.244 0.000 2.428 485 K HA 0.851 5.172 4.320 0.003 0.000 0.279 485 K C -1.131 175.543 176.600 0.122 0.000 1.041 485 K CA -1.298 55.086 56.287 0.161 0.000 0.887 485 K CB 2.490 35.060 32.500 0.116 0.000 1.535 485 K HN 0.071 nan 8.250 nan 0.000 0.417 486 E N -0.998 119.243 120.200 0.068 0.000 2.314 486 E HA 0.446 4.798 4.350 0.003 0.000 0.272 486 E C -0.632 175.958 176.600 -0.016 0.000 0.884 486 E CA -0.645 55.765 56.400 0.017 0.000 0.753 486 E CB 1.976 31.684 29.700 0.013 0.000 1.213 486 E HN 0.951 nan 8.360 nan 0.000 0.432 487 G N 1.680 110.446 108.800 -0.057 0.000 2.142 487 G HA2 -0.251 3.710 3.960 0.003 0.000 0.225 487 G HA3 -0.251 3.710 3.960 0.003 0.000 0.225 487 G C -0.011 174.839 174.900 -0.083 0.000 1.015 487 G CA 0.047 45.099 45.100 -0.080 0.000 0.716 487 G HN 0.366 nan 8.290 nan 0.000 0.508 488 S N 0.098 115.752 115.700 -0.077 0.000 2.537 488 S HA 0.483 4.955 4.470 0.003 0.000 0.286 488 S C 1.330 175.857 174.600 -0.122 0.000 1.299 488 S CA 0.263 58.422 58.200 -0.068 0.000 1.067 488 S CB 1.030 64.195 63.200 -0.057 0.000 0.864 488 S HN 0.312 nan 8.310 nan 0.000 0.494 489 M N 1.508 121.045 119.600 -0.104 0.000 2.379 489 M HA 0.228 4.710 4.480 0.003 0.000 0.268 489 M C 0.194 176.453 176.300 -0.069 0.000 1.185 489 M CA 0.209 55.414 55.300 -0.159 0.000 1.121 489 M CB -0.704 31.795 32.600 -0.168 0.000 1.608 489 M HN 0.447 nan 8.290 nan 0.000 0.569 490 N N 2.272 120.967 118.700 -0.009 0.000 2.500 490 N HA 0.221 4.963 4.740 0.003 0.000 0.236 490 N C -1.091 174.453 175.510 0.056 0.000 1.022 490 N CA -0.153 52.922 53.050 0.042 0.000 0.935 490 N CB 0.592 39.118 38.487 0.066 0.000 1.147 490 N HN -0.013 nan 8.380 nan 0.000 0.512 491 I N 5.187 125.773 120.570 0.026 0.000 2.436 491 I HA 0.033 4.204 4.170 0.003 0.000 0.289 491 I C 1.604 177.742 176.117 0.036 0.000 1.083 491 I CA 0.196 61.488 61.300 -0.014 0.000 1.372 491 I CB -0.009 37.985 38.000 -0.011 0.000 1.408 491 I HN 0.655 nan 8.210 nan 0.000 0.516 492 H N 5.838 124.931 119.070 0.039 0.000 2.986 492 H HA 0.321 4.879 4.556 0.003 0.000 0.267 492 H C 0.427 175.789 175.328 0.057 0.000 1.072 492 H CA -0.448 55.626 56.048 0.043 0.000 1.202 492 H CB 0.425 30.208 29.762 0.035 0.000 1.535 492 H HN 0.335 nan 8.280 nan 0.000 0.522 493 L N 2.744 123.807 121.223 -0.267 0.000 2.529 493 L HA 0.053 4.395 4.340 0.003 0.000 0.287 493 L C 0.871 177.774 176.870 0.056 0.000 1.241 493 L CA 0.238 55.036 54.840 -0.070 0.000 0.857 493 L CB 0.495 42.519 42.059 -0.058 0.000 1.113 493 L HN 0.314 nan 8.230 nan 0.000 0.504 494 I N -1.429 119.198 120.570 0.095 0.000 3.076 494 I HA 0.281 4.453 4.170 0.003 0.000 0.313 494 I C 1.131 177.328 176.117 0.133 0.000 1.053 494 I CA -0.800 60.564 61.300 0.107 0.000 1.048 494 I CB 1.151 39.210 38.000 0.098 0.000 1.264 494 I HN 0.671 nan 8.210 nan 0.000 0.498 495 E N 1.581 121.868 120.200 0.144 0.000 2.086 495 E HA -0.314 4.037 4.350 0.003 0.000 0.205 495 E C 1.982 178.676 176.600 0.156 0.000 1.027 495 E CA 2.427 58.943 56.400 0.193 0.000 0.830 495 E CB -0.145 29.651 29.700 0.160 0.000 0.751 495 E HN 0.833 nan 8.360 nan 0.000 0.456 496 A N 1.168 124.041 122.820 0.089 0.000 1.940 496 A HA -0.231 4.091 4.320 0.003 0.000 0.219 496 A C 1.784 179.398 177.584 0.048 0.000 1.176 496 A CA 1.909 53.971 52.037 0.042 0.000 0.631 496 A CB -0.486 18.533 19.000 0.031 0.000 0.814 496 A HN 0.318 nan 8.150 nan 0.000 0.446 497 D N 0.202 120.657 120.400 0.091 0.000 2.097 497 D HA -0.132 4.509 4.640 0.003 0.000 0.195 497 D C 1.890 178.299 176.300 0.182 0.000 0.989 497 D CA 1.351 55.419 54.000 0.114 0.000 0.827 497 D CB -0.383 40.495 40.800 0.131 0.000 0.966 497 D HN 0.484 nan 8.370 nan 0.000 0.456 498 L N 0.513 121.889 121.223 0.256 0.000 2.217 498 L HA -0.019 4.323 4.340 0.003 0.000 0.211 498 L C 2.421 179.546 176.870 0.425 0.000 1.107 498 L CA 0.416 55.492 54.840 0.392 0.000 0.783 498 L CB -0.173 42.128 42.059 0.404 0.000 0.919 498 L HN -0.144 nan 8.230 nan 0.000 0.442 499 R N 0.503 121.126 120.500 0.205 0.000 2.159 499 R HA -0.121 4.221 4.340 0.003 0.000 0.237 499 R C 1.772 177.996 176.300 -0.128 0.000 1.131 499 R CA 0.834 56.876 56.100 -0.097 0.000 0.982 499 R CB -0.927 29.253 30.300 -0.199 0.000 0.868 499 R HN 0.504 nan 8.270 nan 0.000 0.453 500 N N 0.205 118.779 118.700 -0.210 0.000 2.258 500 N HA -0.157 4.585 4.740 0.003 0.000 0.187 500 N C 0.795 175.909 175.510 -0.658 0.000 1.012 500 N CA 1.138 53.880 53.050 -0.512 0.000 0.870 500 N CB -0.137 37.864 38.487 -0.810 0.000 0.977 500 N HN 0.218 nan 8.380 nan 0.000 0.434 501 F N 0.942 120.815 119.950 -0.128 0.000 2.639 501 F HA 0.183 4.711 4.527 0.002 0.000 0.302 501 F C 0.824 176.641 175.800 0.028 0.000 1.097 501 F CA -0.644 57.257 58.000 -0.165 0.000 1.294 501 F CB -0.097 38.528 39.000 -0.625 0.000 1.027 501 F HN -0.065 nan 8.300 nan 0.000 0.550 502 E N 1.003 121.318 120.200 0.192 0.000 2.366 502 E HA 0.320 4.671 4.350 0.003 0.000 0.266 502 E C -0.244 176.461 176.600 0.174 0.000 1.051 502 E CA -0.535 56.026 56.400 0.269 0.000 0.884 502 E CB 1.386 31.137 29.700 0.086 0.000 1.006 502 E HN 0.229 nan 8.360 nan 0.000 0.417 503 I N 2.481 123.176 120.570 0.208 0.000 2.529 503 I HA -0.008 4.163 4.170 0.003 0.000 0.284 503 I C 0.167 176.359 176.117 0.124 0.000 1.082 503 I CA -0.290 61.102 61.300 0.154 0.000 1.406 503 I CB 1.148 39.244 38.000 0.161 0.000 1.405 503 I HN 0.541 nan 8.210 nan 0.000 0.548 504 S N 5.825 121.580 115.700 0.092 0.000 2.575 504 S HA -0.058 4.414 4.470 0.003 0.000 0.295 504 S C 1.244 175.900 174.600 0.094 0.000 1.267 504 S CA -0.268 57.975 58.200 0.073 0.000 1.074 504 S CB 0.487 63.724 63.200 0.063 0.000 0.829 504 S HN 0.589 nan 8.310 nan 0.000 0.497 505 K N 2.002 122.453 120.400 0.086 0.000 2.218 505 K HA -0.162 4.160 4.320 0.003 0.000 0.205 505 K C 2.156 178.820 176.600 0.107 0.000 1.046 505 K CA 1.675 58.026 56.287 0.106 0.000 0.933 505 K CB -0.407 32.150 32.500 0.094 0.000 0.728 505 K HN 0.887 nan 8.250 nan 0.000 0.454 506 T N -2.475 112.133 114.554 0.089 0.000 3.007 506 T HA -0.069 4.283 4.350 0.003 0.000 0.270 506 T C 1.199 175.953 174.700 0.091 0.000 1.107 506 T CA 1.350 63.499 62.100 0.083 0.000 1.118 506 T CB -0.341 68.567 68.868 0.066 0.000 0.889 506 T HN 0.302 nan 8.240 nan 0.000 0.506 507 N N 0.504 119.271 118.700 0.111 0.000 2.494 507 N HA 0.258 4.999 4.740 0.003 0.000 0.182 507 N C -0.157 175.482 175.510 0.215 0.000 1.076 507 N CA 0.376 53.511 53.050 0.142 0.000 0.908 507 N CB 0.024 38.596 38.487 0.142 0.000 0.967 507 N HN 0.486 nan 8.380 nan 0.000 0.449 508 I N -0.613 120.073 120.570 0.194 0.000 2.656 508 I HA 0.161 4.332 4.170 0.003 0.000 0.292 508 I C -0.871 175.344 176.117 0.163 0.000 1.144 508 I CA -0.668 60.779 61.300 0.245 0.000 1.038 508 I CB 2.370 40.536 38.000 0.277 0.000 1.244 508 I HN -0.256 nan 8.210 nan 0.000 0.420 509 S N 4.377 120.154 115.700 0.129 0.000 2.464 509 S HA 0.207 4.678 4.470 0.003 0.000 0.313 509 S C 0.744 175.443 174.600 0.165 0.000 1.078 509 S CA -0.473 57.802 58.200 0.125 0.000 1.096 509 S CB 0.785 64.043 63.200 0.096 0.000 1.032 509 S HN 0.591 nan 8.310 nan 0.000 0.498 510 Q N 1.339 121.241 119.800 0.170 0.000 2.245 510 Q HA 0.053 4.395 4.340 0.003 0.000 0.201 510 Q C 0.546 176.647 176.000 0.167 0.000 0.955 510 Q CA 0.586 56.499 55.803 0.182 0.000 0.870 510 Q CB 0.115 28.954 28.738 0.169 0.000 0.945 510 Q HN 0.424 nan 8.270 nan 0.000 0.461 511 S N 1.832 117.614 115.700 0.137 0.000 3.811 511 S HA 0.052 4.523 4.470 0.003 0.000 0.205 511 S C 0.182 174.859 174.600 0.128 0.000 1.445 511 S CA -0.220 58.043 58.200 0.106 0.000 1.097 511 S CB -0.519 62.718 63.200 0.063 0.000 1.350 511 S HN 0.351 nan 8.310 nan 0.000 0.471 512 T N -1.981 112.690 114.554 0.194 0.000 2.927 512 T HA 0.387 4.739 4.350 0.003 0.000 0.281 512 T C 1.067 175.884 174.700 0.195 0.000 0.998 512 T CA -0.848 61.423 62.100 0.284 0.000 1.019 512 T CB 1.345 70.474 68.868 0.435 0.000 1.061 512 T HN 0.327 nan 8.240 nan 0.000 0.518 513 E N 0.048 120.313 120.200 0.108 0.000 2.031 513 E HA -0.223 4.129 4.350 0.003 0.000 0.193 513 E C 1.963 178.565 176.600 0.004 0.000 0.994 513 E CA 1.099 57.446 56.400 -0.089 0.000 0.800 513 E CB -0.080 29.302 29.700 -0.531 0.000 0.752 513 E HN 0.614 nan 8.360 nan 0.000 0.447 514 Q N 0.394 120.231 119.800 0.061 0.000 2.181 514 Q HA -0.210 4.132 4.340 0.003 0.000 0.205 514 Q C 1.930 177.962 176.000 0.053 0.000 0.980 514 Q CA 1.578 57.363 55.803 -0.031 0.000 0.862 514 Q CB -0.313 28.256 28.738 -0.282 0.000 0.905 514 Q HN 0.362 nan 8.270 nan 0.000 0.429 515 E N 0.147 120.426 120.200 0.132 0.000 2.265 515 E HA -0.119 4.232 4.350 0.003 0.000 0.196 515 E C 1.380 178.042 176.600 0.103 0.000 0.996 515 E CA 0.793 57.277 56.400 0.141 0.000 0.832 515 E CB 0.012 29.818 29.700 0.177 0.000 0.756 515 E HN 0.128 nan 8.360 nan 0.000 0.491 516 M N 0.163 119.810 119.600 0.079 0.000 2.619 516 M HA 0.199 4.680 4.480 0.003 0.000 0.251 516 M C 0.284 176.613 176.300 0.048 0.000 1.106 516 M CA 0.501 55.839 55.300 0.063 0.000 1.086 516 M CB -0.584 32.053 32.600 0.062 0.000 1.465 516 M HN 0.152 nan 8.290 nan 0.000 0.506 517 A N 0.418 123.265 122.820 0.045 0.000 2.360 517 A HA 0.496 4.818 4.320 0.003 0.000 0.309 517 A C 0.075 177.691 177.584 0.053 0.000 1.311 517 A CA -0.523 51.536 52.037 0.037 0.000 0.805 517 A CB 0.623 19.638 19.000 0.024 0.000 1.144 517 A HN 0.170 nan 8.150 nan 0.000 0.486 518 S N 1.674 117.390 115.700 0.027 0.000 2.549 518 S HA 0.297 4.768 4.470 0.003 0.000 0.279 518 S C 0.758 175.383 174.600 0.042 0.000 1.321 518 S CA -0.391 57.814 58.200 0.008 0.000 1.054 518 S CB 0.128 63.225 63.200 -0.172 0.000 0.899 518 S HN 0.530 nan 8.310 nan 0.000 0.497 519 L N 5.021 126.340 121.223 0.159 0.000 2.529 519 L HA 0.291 4.632 4.340 0.003 0.000 0.223 519 L C 1.559 178.574 176.870 0.240 0.000 1.113 519 L CA 0.577 55.546 54.840 0.215 0.000 0.861 519 L CB -0.408 41.834 42.059 0.306 0.000 1.012 519 L HN 0.927 nan 8.230 nan 0.000 0.461 520 W N -1.559 119.793 121.300 0.085 0.000 2.714 520 W HA 0.517 5.179 4.660 0.003 0.000 0.353 520 W C 0.079 176.636 176.519 0.063 0.000 0.999 520 W CA 0.269 57.640 57.345 0.044 0.000 1.629 520 W CB -0.380 29.090 29.460 0.018 0.000 1.106 520 W HN 0.166 nan 8.180 nan 0.000 0.545 521 S N 1.309 116.689 115.700 -0.534 0.000 2.596 521 S HA 0.830 5.302 4.470 0.003 0.000 0.270 521 S C -1.274 173.229 174.600 -0.163 0.000 1.155 521 S CA -0.634 57.205 58.200 -0.602 0.000 0.827 521 S CB 2.021 64.398 63.200 -1.371 0.000 1.130 521 S HN 0.436 nan 8.310 nan 0.000 0.467 522 F N -0.795 118.970 119.950 -0.309 0.000 2.665 522 F HA 0.765 5.294 4.527 0.002 0.000 0.308 522 F C -1.025 174.658 175.800 -0.195 0.000 1.112 522 F CA -1.075 56.799 58.000 -0.210 0.000 0.972 522 F CB 0.398 39.307 39.000 -0.152 0.000 1.295 522 F HN 0.693 nan 8.300 nan 0.000 0.440 523 D N 0.042 120.389 120.400 -0.088 0.000 2.437 523 D HA 0.230 4.872 4.640 0.003 0.000 0.259 523 D C 0.364 176.605 176.300 -0.097 0.000 1.118 523 D CA -0.337 53.576 54.000 -0.144 0.000 1.017 523 D CB 0.586 41.340 40.800 -0.076 0.000 1.120 523 D HN 0.514 nan 8.370 nan 0.000 0.541 524 D N -0.257 120.096 120.400 -0.078 0.000 2.123 524 D HA -0.172 4.469 4.640 0.003 0.000 0.196 524 D C 1.916 178.204 176.300 -0.020 0.000 0.992 524 D CA 2.014 56.013 54.000 -0.002 0.000 0.833 524 D CB -0.395 40.447 40.800 0.072 0.000 0.954 524 D HN 0.558 nan 8.370 nan 0.000 0.455 525 A N 1.069 123.876 122.820 -0.021 0.000 1.865 525 A HA -0.211 4.110 4.320 0.003 0.000 0.217 525 A C 2.231 179.778 177.584 -0.062 0.000 1.191 525 A CA 1.669 53.681 52.037 -0.042 0.000 0.623 525 A CB -0.571 18.419 19.000 -0.016 0.000 0.826 525 A HN 0.113 nan 8.150 nan 0.000 0.444 526 R N -0.623 119.870 120.500 -0.012 0.000 2.096 526 R HA -0.093 4.248 4.340 0.003 0.000 0.235 526 R C 2.354 178.665 176.300 0.019 0.000 1.127 526 R CA 1.298 57.406 56.100 0.013 0.000 0.968 526 R CB -0.384 29.966 30.300 0.084 0.000 0.861 526 R HN 0.487 nan 8.270 nan 0.000 0.440 527 A N 1.220 124.088 122.820 0.081 0.000 1.883 527 A HA -0.242 4.080 4.320 0.003 0.000 0.217 527 A C 2.053 179.630 177.584 -0.012 0.000 1.186 527 A CA 1.753 53.830 52.037 0.066 0.000 0.624 527 A CB -0.547 18.387 19.000 -0.110 0.000 0.822 527 A HN 0.354 nan 8.150 nan 0.000 0.444 528 K N -0.468 119.667 120.400 -0.441 0.000 2.044 528 K HA -0.160 4.161 4.320 0.003 0.000 0.210 528 K C 2.110 178.581 176.600 -0.215 0.000 1.049 528 K CA 1.463 57.392 56.287 -0.598 0.000 0.927 528 K CB -0.332 31.770 32.500 -0.663 0.000 0.713 528 K HN 0.394 nan 8.250 nan 0.000 0.443 529 A N 0.666 123.381 122.820 -0.176 0.000 1.968 529 A HA -0.153 4.169 4.320 0.003 0.000 0.217 529 A C 1.959 179.400 177.584 -0.238 0.000 1.169 529 A CA 1.163 53.100 52.037 -0.167 0.000 0.638 529 A CB -0.330 18.596 19.000 -0.124 0.000 0.812 529 A HN 0.449 nan 8.150 nan 0.000 0.446 530 Q N -1.621 118.028 119.800 -0.252 0.000 2.046 530 Q HA -0.143 4.199 4.340 0.003 0.000 0.200 530 Q C 1.914 177.372 176.000 -0.904 0.000 0.975 530 Q CA 1.631 57.098 55.803 -0.559 0.000 0.836 530 Q CB -0.328 28.203 28.738 -0.344 0.000 0.896 530 Q HN 0.746 nan 8.270 nan 0.000 0.428 531 F N 2.400 122.013 119.950 -0.562 0.000 2.126 531 F HA -0.217 4.312 4.527 0.003 0.000 0.299 531 F C 1.924 177.421 175.800 -0.504 0.000 1.096 531 F CA 1.910 59.531 58.000 -0.632 0.000 1.255 531 F CB -0.187 38.579 39.000 -0.389 0.000 0.997 531 F HN 0.098 nan 8.300 nan 0.000 0.479 532 E N -0.174 119.675 120.200 -0.586 0.000 2.107 532 E HA -0.232 4.120 4.350 0.003 0.000 0.191 532 E C 2.095 178.442 176.600 -0.421 0.000 0.982 532 E CA 1.148 57.202 56.400 -0.577 0.000 0.809 532 E CB -0.903 28.593 29.700 -0.339 0.000 0.756 532 E HN 0.648 nan 8.360 nan 0.000 0.459 533 E N 0.523 120.498 120.200 -0.374 0.000 2.070 533 E HA -0.227 4.124 4.350 0.003 0.000 0.197 533 E C 1.853 178.374 176.600 -0.132 0.000 1.004 533 E CA 1.457 57.705 56.400 -0.253 0.000 0.805 533 E CB -0.113 29.411 29.700 -0.293 0.000 0.744 533 E HN 0.300 nan 8.360 nan 0.000 0.451 534 Y N 0.789 120.973 120.300 -0.194 0.000 2.181 534 Y HA -0.141 4.410 4.550 0.003 0.000 0.288 534 Y C 2.326 178.123 175.900 -0.171 0.000 1.146 534 Y CA 0.891 58.899 58.100 -0.154 0.000 1.164 534 Y CB -0.727 37.622 38.460 -0.185 0.000 0.982 534 Y HN -0.009 nan 8.280 nan 0.000 0.515 535 K N 0.315 120.570 120.400 -0.243 0.000 2.044 535 K HA -0.244 4.078 4.320 0.003 0.000 0.210 535 K C 2.241 178.819 176.600 -0.037 0.000 1.049 535 K CA 2.247 58.383 56.287 -0.252 0.000 0.927 535 K CB -0.207 31.978 32.500 -0.525 0.000 0.713 535 K HN 0.453 nan 8.250 nan 0.000 0.443 536 R N 0.255 120.715 120.500 -0.066 0.000 2.093 536 R HA 0.031 4.372 4.340 0.003 0.000 0.224 536 R C 1.828 178.209 176.300 0.136 0.000 1.101 536 R CA 1.130 57.243 56.100 0.022 0.000 0.979 536 R CB -0.486 29.780 30.300 -0.058 0.000 0.877 536 R HN 0.028 nan 8.270 nan 0.000 0.441 537 N N 0.932 119.697 118.700 0.107 0.000 2.061 537 N HA -0.244 4.497 4.740 0.003 0.000 0.193 537 N C 1.539 177.133 175.510 0.140 0.000 1.030 537 N CA 1.653 54.775 53.050 0.119 0.000 0.856 537 N CB -0.577 37.994 38.487 0.139 0.000 1.023 537 N HN 0.341 nan 8.380 nan 0.000 0.424 538 Y N 0.225 120.567 120.300 0.069 0.000 2.200 538 Y HA -0.165 4.386 4.550 0.003 0.000 0.290 538 Y C 2.315 178.263 175.900 0.079 0.000 1.137 538 Y CA 1.294 59.431 58.100 0.062 0.000 1.163 538 Y CB -0.599 37.897 38.460 0.061 0.000 0.988 538 Y HN 0.045 nan 8.280 nan 0.000 0.518 539 F N 1.184 121.203 119.950 0.115 0.000 2.134 539 F HA -0.175 4.353 4.527 0.003 0.000 0.299 539 F C 2.065 177.832 175.800 -0.055 0.000 1.097 539 F CA 1.904 59.923 58.000 0.032 0.000 1.264 539 F CB -0.259 38.767 39.000 0.043 0.000 1.001 539 F HN 0.003 nan 8.300 nan 0.000 0.479 540 E N 0.617 120.833 120.200 0.027 0.000 2.338 540 E HA -0.012 4.339 4.350 0.003 0.000 0.197 540 E C 1.276 177.774 176.600 -0.169 0.000 1.007 540 E CA 0.761 57.104 56.400 -0.096 0.000 0.849 540 E CB -0.807 28.913 29.700 0.033 0.000 0.774 540 E HN 0.390 nan 8.360 nan 0.000 0.506 541 G N 0.688 109.369 108.800 -0.198 0.000 2.778 541 G HA2 0.240 4.201 3.960 0.003 0.000 0.287 541 G HA3 0.240 4.201 3.960 0.003 0.000 0.287 541 G C 0.618 175.344 174.900 -0.290 0.000 0.747 541 G CA 0.532 45.486 45.100 -0.243 0.000 1.961 541 G HN 0.178 nan 8.290 nan 0.000 0.539 542 A N 2.589 125.273 122.820 -0.226 0.000 2.263 542 A HA 0.537 4.859 4.320 0.003 0.000 0.200 542 A C 1.018 178.520 177.584 -0.135 0.000 1.428 542 A CA -0.035 51.888 52.037 -0.190 0.000 1.050 542 A CB -0.024 18.854 19.000 -0.203 0.000 1.226 542 A HN 0.677 nan 8.150 nan 0.000 0.501 543 L N 0.000 121.148 121.223 -0.125 0.000 2.949 543 L HA 0.000 4.342 4.340 0.003 0.000 0.249 543 L CA 0.000 54.786 54.840 -0.089 0.000 0.813 543 L CB 0.000 42.011 42.059 -0.080 0.000 0.961 543 L HN 0.000 nan 8.230 nan 0.000 0.502