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 2zwa_1_B DATA FIRST_RESID 4 DATA SEQUENCE LTTIKQTNKN VKQERRKKYA DLAIQGTNNS SIASKRSVEL LYLPKLSSAN DATA SEQUENCE NFQMDKNNKL LEYFKFFVPK KIKRSPCINR GYWLRLFAIR SRLNSIIEQT DATA SEQUENCE PQDKKIVVVN LGCGYDPLPF QLLDTNNIQS QQYHDRVSFI DIDYSDLLKI DATA SEQUENCE KIELIKTIPE LSKIIGLSEX XXYVDDSNVD FLTTPKYLAR PCDLNDSKMF DATA SEQUENCE STLLNECQLY DPNVVKVFVA EVSLAYMKPE RSDSIIEATS KMENSHFIIL DATA SEQUENCE EQLIPKGPFE PFSKQMLAHF KRNDSPLQSV LKYNTIESQV QRFNKLGFAY DATA SEQUENCE VNVGDMFQLW ESADEATKKE LLKVEPFDEL EEFHLFCHHY VLCHATNYKE DATA SEQUENCE FAFTQGFLFD RXXXXINLTV DEDYQLLECE CPINRKFGDV DVAGNDVFYM DATA SEQUENCE GGSNPYRVNE ILQLSIHYDK IDMKNIEVSS SEVPVARMCH TFTTISRNNQ DATA SEQUENCE LLLIGGRKAP HQGLSDNWIF DMKTREWSMI KSLSHTRFRH SACSLPDGNV DATA SEQUENCE LILGGVTEGP AMLLYNVTEE IFKDVTPKDE FFQNSLVSAG LEFDPVSKQG DATA SEQUENCE IILGGGFMDQ TTVSDKAIIF KYDAENATEP ITVIKKLQHP LFQRYGSQIK DATA SEQUENCE YITPRKLLIV GGTSPSGLFD RTNSIISLDP LSETLTSIPI SRRIWEDHSL DATA SEQUENCE MLAGFSLVST SMGTIHIIGG GATCYGFGSV TNVGLKLIAI 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.866 176.870 -0.007 0.000 1.165 4 L CA 0.000 54.836 54.840 -0.006 0.000 0.813 4 L CB 0.000 42.055 42.059 -0.006 0.000 0.961 5 T N -0.253 114.296 114.554 -0.007 0.000 2.934 5 T HA 0.446 4.791 4.350 -0.008 0.000 0.306 5 T C 0.562 175.258 174.700 -0.008 0.000 1.042 5 T CA 0.211 62.306 62.100 -0.008 0.000 1.145 5 T CB 0.649 69.513 68.868 -0.007 0.000 0.982 5 T HN 0.715 nan 8.240 nan 0.000 0.544 6 T N 0.018 114.567 114.554 -0.009 0.000 2.936 6 T HA 0.514 4.859 4.350 -0.008 0.000 0.282 6 T C 1.535 176.230 174.700 -0.009 0.000 1.003 6 T CA -1.169 60.925 62.100 -0.009 0.000 1.005 6 T CB 0.768 69.630 68.868 -0.010 0.000 1.097 6 T HN 0.497 nan 8.240 nan 0.000 0.532 7 I N 0.615 121.179 120.570 -0.009 0.000 2.142 7 I HA -0.145 4.020 4.170 -0.008 0.000 0.240 7 I C 2.664 178.775 176.117 -0.011 0.000 1.078 7 I CA 1.474 62.768 61.300 -0.009 0.000 1.343 7 I CB -0.331 37.663 38.000 -0.009 0.000 1.046 7 I HN 0.731 nan 8.210 nan 0.000 0.405 8 K N 0.237 120.630 120.400 -0.012 0.000 2.283 8 K HA -0.227 4.088 4.320 -0.008 0.000 0.202 8 K C 2.080 178.671 176.600 -0.014 0.000 1.048 8 K CA 0.971 57.250 56.287 -0.013 0.000 0.948 8 K CB -0.171 32.320 32.500 -0.015 0.000 0.742 8 K HN 0.376 nan 8.250 nan 0.000 0.458 9 Q N 0.702 120.494 119.800 -0.014 0.000 2.230 9 Q HA -0.094 4.241 4.340 -0.008 0.000 0.202 9 Q C 0.942 176.934 176.000 -0.013 0.000 0.963 9 Q CA 1.563 57.358 55.803 -0.014 0.000 0.866 9 Q CB 0.350 29.080 28.738 -0.013 0.000 0.931 9 Q HN 0.337 nan 8.270 nan 0.000 0.452 10 T N -3.403 111.144 114.554 -0.011 0.000 3.170 10 T HA 0.120 4.465 4.350 -0.008 0.000 0.288 10 T C 0.303 174.998 174.700 -0.009 0.000 0.992 10 T CA -0.069 62.026 62.100 -0.009 0.000 0.909 10 T CB -0.461 68.402 68.868 -0.008 0.000 1.133 10 T HN 0.475 nan 8.240 nan 0.000 0.530 11 N N 0.393 119.087 118.700 -0.010 0.000 2.238 11 N HA 0.224 4.959 4.740 -0.008 0.000 0.222 11 N C -0.169 175.335 175.510 -0.009 0.000 1.133 11 N CA -0.842 52.203 53.050 -0.009 0.000 0.854 11 N CB 0.350 38.832 38.487 -0.009 0.000 1.041 11 N HN 0.170 nan 8.380 nan 0.000 0.510 12 K N 0.745 121.139 120.400 -0.009 0.000 2.318 12 K HA 0.217 4.532 4.320 -0.008 0.000 0.249 12 K C -0.704 175.892 176.600 -0.007 0.000 0.942 12 K CA -0.966 55.316 56.287 -0.009 0.000 0.808 12 K CB 1.315 33.808 32.500 -0.012 0.000 1.189 12 K HN 0.203 nan 8.250 nan 0.000 0.428 13 N N -0.440 118.257 118.700 -0.005 0.000 2.364 13 N HA 0.027 4.763 4.740 -0.008 0.000 0.264 13 N C 0.846 176.354 175.510 -0.003 0.000 1.263 13 N CA -0.556 52.492 53.050 -0.003 0.000 0.959 13 N CB 0.137 38.624 38.487 -0.000 0.000 1.204 13 N HN 0.168 nan 8.380 nan 0.000 0.550 14 V N -0.391 119.522 119.914 -0.001 0.000 2.332 14 V HA -0.237 3.879 4.120 -0.008 0.000 0.248 14 V C 2.428 178.519 176.094 -0.005 0.000 1.055 14 V CA 2.046 64.345 62.300 -0.002 0.000 1.038 14 V CB -0.879 30.945 31.823 0.001 0.000 0.651 14 V HN 0.814 nan 8.190 nan 0.000 0.450 15 K N -0.484 119.910 120.400 -0.010 0.000 2.103 15 K HA -0.168 4.147 4.320 -0.008 0.000 0.204 15 K C 2.244 178.837 176.600 -0.012 0.000 1.052 15 K CA 1.289 57.564 56.287 -0.020 0.000 0.945 15 K CB -0.037 32.446 32.500 -0.029 0.000 0.722 15 K HN 0.530 nan 8.250 nan 0.000 0.443 16 Q N 0.205 119.999 119.800 -0.010 0.000 2.119 16 Q HA -0.134 4.202 4.340 -0.008 0.000 0.201 16 Q C 1.911 177.907 176.000 -0.007 0.000 0.972 16 Q CA 1.162 56.959 55.803 -0.010 0.000 0.847 16 Q CB 0.124 28.855 28.738 -0.011 0.000 0.903 16 Q HN 0.277 nan 8.270 nan 0.000 0.433 17 E N 0.587 120.783 120.200 -0.007 0.000 2.077 17 E HA -0.187 4.158 4.350 -0.008 0.000 0.193 17 E C 1.933 178.531 176.600 -0.002 0.000 0.989 17 E CA 0.860 57.254 56.400 -0.010 0.000 0.800 17 E CB -0.105 29.588 29.700 -0.012 0.000 0.746 17 E HN 0.249 nan 8.360 nan 0.000 0.452 18 R N 0.892 121.407 120.500 0.025 0.000 2.073 18 R HA -0.113 4.223 4.340 -0.008 0.000 0.234 18 R C 2.518 178.903 176.300 0.141 0.000 1.134 18 R CA 1.511 57.666 56.100 0.092 0.000 0.952 18 R CB -0.106 30.254 30.300 0.099 0.000 0.850 18 R HN -0.014 nan 8.270 nan 0.000 0.433 19 R N 0.795 121.338 120.500 0.071 0.000 2.083 19 R HA -0.197 4.138 4.340 -0.008 0.000 0.237 19 R C 2.197 178.523 176.300 0.044 0.000 1.137 19 R CA 2.111 58.246 56.100 0.057 0.000 0.951 19 R CB -0.183 30.117 30.300 -0.000 0.000 0.851 19 R HN 0.105 nan 8.270 nan 0.000 0.434 20 K N 0.679 121.082 120.400 0.005 0.000 2.097 20 K HA -0.188 4.128 4.320 -0.008 0.000 0.205 20 K C 2.127 178.695 176.600 -0.052 0.000 1.050 20 K CA 1.581 57.855 56.287 -0.022 0.000 0.938 20 K CB -0.058 32.425 32.500 -0.029 0.000 0.718 20 K HN 0.097 nan 8.250 nan 0.000 0.442 21 K N -0.230 120.114 120.400 -0.093 0.000 2.032 21 K HA -0.199 4.116 4.320 -0.008 0.000 0.209 21 K C 1.820 178.230 176.600 -0.315 0.000 1.048 21 K CA 1.776 57.918 56.287 -0.242 0.000 0.927 21 K CB -0.192 32.082 32.500 -0.377 0.000 0.712 21 K HN 0.214 nan 8.250 nan 0.000 0.441 22 Y N 0.069 120.364 120.300 -0.008 0.000 2.395 22 Y HA 0.012 4.557 4.550 -0.008 0.000 0.293 22 Y C 2.304 178.197 175.900 -0.012 0.000 1.123 22 Y CA 0.658 58.762 58.100 0.006 0.000 1.227 22 Y CB -0.120 38.353 38.460 0.021 0.000 1.012 22 Y HN 0.202 nan 8.280 nan 0.000 0.552 23 A N 0.448 123.313 122.820 0.074 0.000 1.883 23 A HA -0.222 4.093 4.320 -0.008 0.000 0.217 23 A C 1.812 179.384 177.584 -0.021 0.000 1.186 23 A CA 2.227 54.269 52.037 0.009 0.000 0.624 23 A CB -0.699 18.293 19.000 -0.013 0.000 0.822 23 A HN 0.332 nan 8.150 nan 0.000 0.444 24 D N -0.047 120.333 120.400 -0.033 0.000 2.144 24 D HA -0.097 4.538 4.640 -0.008 0.000 0.199 24 D C 1.934 178.214 176.300 -0.033 0.000 0.984 24 D CA 0.933 54.908 54.000 -0.040 0.000 0.834 24 D CB -0.364 40.403 40.800 -0.054 0.000 0.955 24 D HN 0.453 nan 8.370 nan 0.000 0.465 25 L N 0.577 121.783 121.223 -0.029 0.000 2.083 25 L HA -0.129 4.207 4.340 -0.008 0.000 0.209 25 L C 2.484 179.372 176.870 0.030 0.000 1.083 25 L CA 1.015 55.863 54.840 0.014 0.000 0.752 25 L CB -0.334 41.755 42.059 0.049 0.000 0.899 25 L HN -0.015 nan 8.230 nan 0.000 0.433 26 A N 0.101 122.896 122.820 -0.042 0.000 1.898 26 A HA -0.175 4.140 4.320 -0.008 0.000 0.216 26 A C 2.214 179.675 177.584 -0.205 0.000 1.181 26 A CA 1.380 53.227 52.037 -0.317 0.000 0.620 26 A CB -0.594 18.078 19.000 -0.546 0.000 0.819 26 A HN 0.333 nan 8.150 nan 0.000 0.442 27 I N -0.187 120.325 120.570 -0.097 0.000 2.361 27 I HA -0.200 3.966 4.170 -0.008 0.000 0.251 27 I C 1.347 177.462 176.117 -0.003 0.000 1.133 27 I CA 0.862 62.138 61.300 -0.040 0.000 1.413 27 I CB -0.163 37.821 38.000 -0.026 0.000 1.073 27 I HN 0.334 nan 8.210 nan 0.000 0.424 28 Q N 0.529 120.331 119.800 0.004 0.000 2.408 28 Q HA 0.067 4.403 4.340 -0.008 0.000 0.214 28 Q C 1.099 177.135 176.000 0.059 0.000 0.957 28 Q CA 0.501 56.319 55.803 0.025 0.000 0.965 28 Q CB 0.050 28.799 28.738 0.018 0.000 0.991 28 Q HN 0.549 nan 8.270 nan 0.000 0.505 29 G N -0.672 108.173 108.800 0.074 0.000 4.247 29 G HA2 -0.002 3.954 3.960 -0.008 0.000 0.231 29 G HA3 -0.002 3.954 3.960 -0.008 0.000 0.231 29 G C 0.703 175.715 174.900 0.188 0.000 1.079 29 G CA 0.343 45.540 45.100 0.162 0.000 0.850 29 G HN 0.338 nan 8.290 nan 0.000 0.435 30 T N -3.036 111.575 114.554 0.094 0.000 3.016 30 T HA 0.228 4.573 4.350 -0.008 0.000 0.271 30 T C 0.365 175.111 174.700 0.075 0.000 0.968 30 T CA -0.401 61.765 62.100 0.110 0.000 0.891 30 T CB 0.348 69.261 68.868 0.075 0.000 1.149 30 T HN -0.051 nan 8.240 nan 0.000 0.524 31 N N 3.736 122.469 118.700 0.055 0.000 2.411 31 N HA 0.130 4.865 4.740 -0.008 0.000 0.261 31 N C 0.259 175.800 175.510 0.052 0.000 1.248 31 N CA 0.486 53.559 53.050 0.038 0.000 0.885 31 N CB -0.179 38.325 38.487 0.029 0.000 1.062 31 N HN 0.261 nan 8.380 nan 0.000 0.471 32 N N -1.269 117.449 118.700 0.030 0.000 2.678 32 N HA -0.212 4.523 4.740 -0.008 0.000 0.250 32 N C -0.281 175.282 175.510 0.088 0.000 1.136 32 N CA 1.202 54.276 53.050 0.040 0.000 0.757 32 N CB -1.411 37.113 38.487 0.062 0.000 1.135 32 N HN 0.677 nan 8.380 nan 0.000 0.565 33 S N -1.701 114.054 115.700 0.090 0.000 2.738 33 S HA 0.558 5.024 4.470 -0.008 0.000 0.284 33 S C 1.625 176.288 174.600 0.105 0.000 1.146 33 S CA 0.076 58.371 58.200 0.158 0.000 0.997 33 S CB 1.568 64.878 63.200 0.183 0.000 1.081 33 S HN 0.262 nan 8.310 nan 0.000 0.553 34 S N 0.432 116.257 115.700 0.209 0.000 2.399 34 S HA -0.107 4.359 4.470 -0.008 0.000 0.231 34 S C 1.786 176.391 174.600 0.009 0.000 1.022 34 S CA 0.757 59.070 58.200 0.188 0.000 0.983 34 S CB -0.797 62.649 63.200 0.411 0.000 0.803 34 S HN 0.635 nan 8.310 nan 0.000 0.480 35 I N 2.832 123.461 120.570 0.099 0.000 2.252 35 I HA -0.014 4.152 4.170 -0.008 0.000 0.245 35 I C 2.998 179.106 176.117 -0.016 0.000 1.102 35 I CA 0.972 62.339 61.300 0.111 0.000 1.385 35 I CB -1.989 36.159 38.000 0.246 0.000 1.064 35 I HN 0.414 nan 8.210 nan 0.000 0.414 36 A N 0.288 123.087 122.820 -0.034 0.000 1.930 36 A HA -0.149 4.166 4.320 -0.008 0.000 0.217 36 A C 2.579 180.024 177.584 -0.232 0.000 1.175 36 A CA 1.956 53.941 52.037 -0.086 0.000 0.627 36 A CB -0.685 18.283 19.000 -0.053 0.000 0.815 36 A HN 0.406 nan 8.150 nan 0.000 0.443 37 S N -0.246 115.212 115.700 -0.402 0.000 2.383 37 S HA -0.123 4.343 4.470 -0.008 0.000 0.227 37 S C 1.909 176.112 174.600 -0.661 0.000 1.026 37 S CA 1.562 59.344 58.200 -0.697 0.000 0.981 37 S CB -0.195 62.151 63.200 -1.422 0.000 0.818 37 S HN 0.634 nan 8.310 nan 0.000 0.472 38 K N 0.923 120.948 120.400 -0.624 0.000 2.097 38 K HA -0.043 4.273 4.320 -0.008 0.000 0.206 38 K C 2.305 178.519 176.600 -0.643 0.000 1.049 38 K CA 0.992 56.875 56.287 -0.674 0.000 0.933 38 K CB -0.118 31.747 32.500 -1.058 0.000 0.717 38 K HN 0.023 nan 8.250 nan 0.000 0.442 39 R N 1.201 121.445 120.500 -0.427 0.000 2.105 39 R HA -0.109 4.226 4.340 -0.008 0.000 0.239 39 R C 2.186 178.423 176.300 -0.105 0.000 1.135 39 R CA 1.962 57.979 56.100 -0.139 0.000 0.967 39 R CB -0.878 29.410 30.300 -0.019 0.000 0.861 39 R HN 0.071 nan 8.270 nan 0.000 0.442 40 S N -0.967 114.637 115.700 -0.160 0.000 2.368 40 S HA -0.065 4.401 4.470 -0.008 0.000 0.225 40 S C 1.829 176.387 174.600 -0.071 0.000 1.030 40 S CA 1.340 59.473 58.200 -0.112 0.000 0.999 40 S CB -0.254 62.852 63.200 -0.157 0.000 0.844 40 S HN 0.207 nan 8.310 nan 0.000 0.459 41 V N 1.740 121.579 119.914 -0.125 0.000 2.358 41 V HA -0.128 3.988 4.120 -0.008 0.000 0.246 41 V C 2.506 178.674 176.094 0.124 0.000 1.047 41 V CA 2.170 64.434 62.300 -0.060 0.000 1.035 41 V CB -0.795 30.985 31.823 -0.071 0.000 0.658 41 V HN 0.626 nan 8.190 nan 0.000 0.452 42 E N 0.129 120.387 120.200 0.098 0.000 2.085 42 E HA -0.242 4.104 4.350 -0.008 0.000 0.194 42 E C 2.185 178.880 176.600 0.157 0.000 0.994 42 E CA 1.624 58.146 56.400 0.204 0.000 0.801 42 E CB -0.136 29.720 29.700 0.260 0.000 0.743 42 E HN 0.574 nan 8.360 nan 0.000 0.453 43 L N 0.374 121.656 121.223 0.098 0.000 2.023 43 L HA -0.106 4.229 4.340 -0.008 0.000 0.205 43 L C 2.639 179.567 176.870 0.096 0.000 1.073 43 L CA 0.873 55.756 54.840 0.073 0.000 0.745 43 L CB -0.250 41.830 42.059 0.034 0.000 0.900 43 L HN 0.290 nan 8.230 nan 0.000 0.435 44 L N -2.331 118.977 121.223 0.142 0.000 2.145 44 L HA -0.125 4.210 4.340 -0.008 0.000 0.201 44 L C 2.487 179.497 176.870 0.233 0.000 1.075 44 L CA 0.973 55.920 54.840 0.178 0.000 0.773 44 L CB -0.064 42.132 42.059 0.227 0.000 0.936 44 L HN 0.115 nan 8.230 nan 0.000 0.451 45 Y N 0.082 120.413 120.300 0.052 0.000 2.231 45 Y HA -0.030 4.515 4.550 -0.008 0.000 0.294 45 Y C 2.406 178.339 175.900 0.056 0.000 1.120 45 Y CA 0.920 59.046 58.100 0.044 0.000 1.141 45 Y CB -0.449 38.077 38.460 0.111 0.000 1.022 45 Y HN 0.039 nan 8.280 nan 0.000 0.523 46 L N -0.057 121.346 121.223 0.302 0.000 2.083 46 L HA -0.146 4.190 4.340 -0.008 0.000 0.209 46 L C -0.611 176.333 176.870 0.122 0.000 1.083 46 L CA 1.085 56.065 54.840 0.233 0.000 0.752 46 L CB -1.797 40.442 42.059 0.299 0.000 0.899 46 L HN 0.165 nan 8.230 nan 0.000 0.433 47 P HA -0.122 nan 4.420 nan 0.000 0.226 47 P C 1.023 178.329 177.300 0.011 0.000 1.153 47 P CA 1.245 64.375 63.100 0.049 0.000 0.777 47 P CB 0.032 31.756 31.700 0.040 0.000 0.794 48 K N -1.519 118.874 120.400 -0.012 0.000 2.353 48 K HA 0.191 4.506 4.320 -0.008 0.000 0.195 48 K C 0.571 177.117 176.600 -0.091 0.000 1.031 48 K CA 0.010 56.257 56.287 -0.066 0.000 1.079 48 K CB 0.268 32.698 32.500 -0.117 0.000 0.857 48 K HN 0.189 nan 8.250 nan 0.000 0.535 49 L N 1.544 122.724 121.223 -0.071 0.000 2.360 49 L HA 0.187 4.523 4.340 -0.008 0.000 0.271 49 L C 0.789 177.618 176.870 -0.067 0.000 1.057 49 L CA -0.724 54.054 54.840 -0.102 0.000 0.803 49 L CB 1.505 43.499 42.059 -0.108 0.000 1.207 49 L HN 0.076 nan 8.230 nan 0.000 0.445 50 S N -0.167 115.486 115.700 -0.078 0.000 2.598 50 S HA -0.025 4.440 4.470 -0.008 0.000 0.256 50 S C 1.282 175.865 174.600 -0.028 0.000 1.350 50 S CA -0.046 58.126 58.200 -0.047 0.000 0.984 50 S CB 1.019 64.188 63.200 -0.051 0.000 0.930 50 S HN 0.771 nan 8.310 nan 0.000 0.577 51 S N 0.893 116.592 115.700 -0.002 0.000 2.399 51 S HA -0.084 4.381 4.470 -0.008 0.000 0.231 51 S C 1.963 176.581 174.600 0.029 0.000 1.022 51 S CA 0.795 59.008 58.200 0.022 0.000 0.983 51 S CB -1.274 61.949 63.200 0.038 0.000 0.803 51 S HN 1.187 nan 8.310 nan 0.000 0.480 52 A N 2.056 124.894 122.820 0.030 0.000 2.070 52 A HA 0.032 4.348 4.320 -0.008 0.000 0.220 52 A C 1.811 179.435 177.584 0.066 0.000 1.159 52 A CA 1.334 53.414 52.037 0.072 0.000 0.656 52 A CB -0.355 18.688 19.000 0.072 0.000 0.800 52 A HN 0.643 nan 8.150 nan 0.000 0.453 53 N N -0.873 117.803 118.700 -0.040 0.000 2.160 53 N HA -0.023 4.713 4.740 -0.008 0.000 0.226 53 N C 0.417 175.637 175.510 -0.483 0.000 1.256 53 N CA 0.601 53.572 53.050 -0.132 0.000 0.890 53 N CB 0.224 38.742 38.487 0.052 0.000 1.116 53 N HN 0.722 nan 8.380 nan 0.000 0.517 54 N N 0.438 118.930 118.700 -0.347 0.000 2.254 54 N HA 0.054 4.789 4.740 -0.008 0.000 0.190 54 N C 0.570 176.066 175.510 -0.023 0.000 1.107 54 N CA -0.174 52.767 53.050 -0.183 0.000 0.869 54 N CB -0.291 38.199 38.487 0.004 0.000 0.983 54 N HN 0.094 nan 8.380 nan 0.000 0.487 55 F N -0.691 119.402 119.950 0.239 0.000 2.631 55 F HA -0.337 4.185 4.527 -0.008 0.000 0.563 55 F C -0.123 175.788 175.800 0.185 0.000 0.513 55 F CA 1.555 59.673 58.000 0.196 0.000 0.871 55 F CB -1.147 37.973 39.000 0.200 0.000 1.668 55 F HN 0.329 nan 8.300 nan 0.000 0.260 56 Q N 0.735 120.755 119.800 0.368 0.000 2.374 56 Q HA 0.706 5.041 4.340 -0.008 0.000 0.250 56 Q C -0.991 175.163 176.000 0.256 0.000 0.918 56 Q CA -0.667 55.350 55.803 0.356 0.000 0.778 56 Q CB 2.461 31.504 28.738 0.507 0.000 1.328 56 Q HN 0.489 nan 8.270 nan 0.000 0.445 57 M N 2.565 122.295 119.600 0.216 0.000 2.414 57 M HA 0.292 4.767 4.480 -0.008 0.000 0.287 57 M C -1.929 174.457 176.300 0.144 0.000 1.181 57 M CA -0.407 54.983 55.300 0.150 0.000 0.933 57 M CB 2.443 35.115 32.600 0.120 0.000 1.732 57 M HN 0.822 nan 8.290 nan 0.000 0.486 58 D N 2.837 123.302 120.400 0.109 0.000 2.451 58 D HA 0.240 4.876 4.640 -0.008 0.000 0.259 58 D C 0.644 176.994 176.300 0.084 0.000 1.201 58 D CA -0.352 53.708 54.000 0.100 0.000 1.028 58 D CB 0.623 41.468 40.800 0.075 0.000 1.095 58 D HN 0.722 nan 8.370 nan 0.000 0.539 59 K N -0.413 120.033 120.400 0.077 0.000 2.209 59 K HA -0.132 4.183 4.320 -0.008 0.000 0.204 59 K C 0.497 177.127 176.600 0.050 0.000 1.048 59 K CA 0.891 57.217 56.287 0.065 0.000 0.940 59 K CB -0.447 32.089 32.500 0.060 0.000 0.729 59 K HN 0.183 nan 8.250 nan 0.000 0.451 60 N N 1.418 120.145 118.700 0.044 0.000 2.434 60 N HA -0.022 4.714 4.740 -0.008 0.000 0.196 60 N C -0.544 174.985 175.510 0.033 0.000 1.183 60 N CA 0.267 53.337 53.050 0.034 0.000 0.849 60 N CB -0.001 38.503 38.487 0.028 0.000 0.992 60 N HN 0.251 nan 8.380 nan 0.000 0.460 61 N N 0.032 118.756 118.700 0.041 0.000 2.741 61 N HA -0.186 4.549 4.740 -0.008 0.000 0.251 61 N C -0.820 174.712 175.510 0.036 0.000 1.112 61 N CA 0.926 53.999 53.050 0.039 0.000 0.750 61 N CB -1.305 37.200 38.487 0.029 0.000 1.119 61 N HN 0.460 nan 8.380 nan 0.000 0.561 62 K N 0.167 120.590 120.400 0.037 0.000 2.174 62 K HA 0.401 4.716 4.320 -0.008 0.000 0.275 62 K C 0.314 176.940 176.600 0.043 0.000 1.015 62 K CA -0.843 55.462 56.287 0.031 0.000 0.933 62 K CB 1.370 33.883 32.500 0.021 0.000 1.025 62 K HN 0.049 nan 8.250 nan 0.000 0.463 63 L N 3.249 124.495 121.223 0.039 0.000 2.426 63 L HA 0.212 4.547 4.340 -0.008 0.000 0.271 63 L C -0.933 175.953 176.870 0.026 0.000 1.169 63 L CA 0.159 55.032 54.840 0.056 0.000 0.836 63 L CB 0.385 42.481 42.059 0.062 0.000 1.112 63 L HN 0.457 nan 8.230 nan 0.000 0.465 64 L N 4.109 125.356 121.223 0.040 0.000 2.334 64 L HA 0.545 4.880 4.340 -0.008 0.000 0.272 64 L C -0.378 176.392 176.870 -0.167 0.000 1.020 64 L CA -0.606 54.183 54.840 -0.084 0.000 0.812 64 L CB 1.526 43.561 42.059 -0.039 0.000 1.264 64 L HN 0.586 nan 8.230 nan 0.000 0.439 65 E N 0.786 120.747 120.200 -0.399 0.000 2.222 65 E HA 0.294 4.639 4.350 -0.008 0.000 0.267 65 E C -1.023 175.153 176.600 -0.707 0.000 0.884 65 E CA -0.344 55.837 56.400 -0.365 0.000 0.764 65 E CB 2.045 31.579 29.700 -0.277 0.000 1.169 65 E HN 0.463 nan 8.360 nan 0.000 0.413 66 Y N 0.322 120.567 120.300 -0.093 0.000 2.652 66 Y HA 0.128 4.673 4.550 -0.008 0.000 0.275 66 Y C 1.450 177.279 175.900 -0.118 0.000 1.133 66 Y CA -0.302 57.755 58.100 -0.072 0.000 1.246 66 Y CB 0.246 38.660 38.460 -0.077 0.000 1.334 66 Y HN 0.516 nan 8.280 nan 0.000 0.493 67 F N 2.002 122.079 119.950 0.212 0.000 2.269 67 F HA -0.185 4.338 4.527 -0.008 0.000 0.301 67 F C 2.244 178.082 175.800 0.064 0.000 1.082 67 F CA 1.597 59.715 58.000 0.197 0.000 1.360 67 F CB -0.372 38.715 39.000 0.145 0.000 1.041 67 F HN 0.036 nan 8.300 nan 0.000 0.512 68 K N 0.173 120.558 120.400 -0.025 0.000 2.281 68 K HA -0.209 4.106 4.320 -0.008 0.000 0.203 68 K C 1.519 177.963 176.600 -0.259 0.000 1.046 68 K CA 1.784 57.952 56.287 -0.198 0.000 0.938 68 K CB -1.088 31.188 32.500 -0.374 0.000 0.737 68 K HN 0.260 nan 8.250 nan 0.000 0.458 69 F N -0.360 119.509 119.950 -0.135 0.000 2.502 69 F HA 0.074 4.596 4.527 -0.008 0.000 0.298 69 F C 1.160 176.578 175.800 -0.637 0.000 1.111 69 F CA 0.423 58.165 58.000 -0.429 0.000 1.445 69 F CB 0.099 38.723 39.000 -0.627 0.000 1.081 69 F HN -0.052 nan 8.300 nan 0.000 0.558 70 F N -2.099 117.926 119.950 0.126 0.000 2.711 70 F HA 0.234 4.756 4.527 -0.007 0.000 0.296 70 F C 0.275 176.079 175.800 0.007 0.000 1.096 70 F CA -0.000 58.028 58.000 0.048 0.000 1.280 70 F CB 0.549 39.610 39.000 0.101 0.000 1.060 70 F HN -0.481 nan 8.300 nan 0.000 0.608 71 V N 1.922 121.947 119.914 0.185 0.000 2.380 71 V HA 0.219 4.335 4.120 -0.008 0.000 0.268 71 V C -1.993 174.120 176.094 0.030 0.000 1.008 71 V CA -1.158 61.197 62.300 0.093 0.000 0.823 71 V CB 1.187 33.074 31.823 0.107 0.000 1.053 71 V HN -0.109 nan 8.190 nan 0.000 0.446 72 P HA -0.060 nan 4.420 nan 0.000 0.217 72 P C 0.873 178.150 177.300 -0.038 0.000 1.151 72 P CA 0.866 63.939 63.100 -0.046 0.000 0.828 72 P CB 0.409 32.081 31.700 -0.047 0.000 0.788 73 K N 0.753 121.138 120.400 -0.025 0.000 2.286 73 K HA 0.017 4.333 4.320 -0.008 0.000 0.256 73 K C 0.252 176.836 176.600 -0.026 0.000 0.999 73 K CA 0.196 56.468 56.287 -0.026 0.000 0.908 73 K CB 0.213 32.700 32.500 -0.022 0.000 0.981 73 K HN -0.045 nan 8.250 nan 0.000 0.500 74 K N 3.481 123.865 120.400 -0.027 0.000 2.333 74 K HA 0.188 4.504 4.320 -0.008 0.000 0.241 74 K C -0.187 176.396 176.600 -0.029 0.000 1.193 74 K CA -0.278 55.994 56.287 -0.025 0.000 1.142 74 K CB -0.061 32.425 32.500 -0.023 0.000 1.731 74 K HN 0.342 nan 8.250 nan 0.000 0.344 75 I N 2.102 122.651 120.570 -0.035 0.000 2.752 75 I HA -0.031 4.134 4.170 -0.008 0.000 0.287 75 I C 0.540 176.624 176.117 -0.055 0.000 1.188 75 I CA 0.559 61.828 61.300 -0.051 0.000 1.427 75 I CB -0.078 37.880 38.000 -0.070 0.000 1.365 75 I HN 0.336 nan 8.210 nan 0.000 0.585 76 K N 6.000 126.364 120.400 -0.060 0.000 2.375 76 K HA 0.648 4.964 4.320 -0.008 0.000 0.249 76 K C -0.537 176.012 176.600 -0.085 0.000 0.942 76 K CA -0.943 55.309 56.287 -0.059 0.000 0.806 76 K CB 2.663 35.140 32.500 -0.039 0.000 1.227 76 K HN 0.398 nan 8.250 nan 0.000 0.430 77 R N 0.190 120.635 120.500 -0.092 0.000 2.855 77 R HA 0.349 4.684 4.340 -0.008 0.000 0.266 77 R C -0.496 175.744 176.300 -0.100 0.000 1.034 77 R CA -0.844 55.179 56.100 -0.128 0.000 0.944 77 R CB 1.766 31.956 30.300 -0.185 0.000 1.219 77 R HN 0.938 nan 8.270 nan 0.000 0.474 78 S N 0.392 116.015 115.700 -0.128 0.000 2.584 78 S HA 0.139 4.605 4.470 -0.008 0.000 0.270 78 S C -1.755 172.810 174.600 -0.059 0.000 1.346 78 S CA -0.715 57.423 58.200 -0.104 0.000 1.018 78 S CB 0.826 63.943 63.200 -0.138 0.000 0.899 78 S HN 0.279 nan 8.310 nan 0.000 0.542 79 P HA -0.033 nan 4.420 nan 0.000 0.216 79 P C 1.690 179.100 177.300 0.183 0.000 1.150 79 P CA 0.682 63.852 63.100 0.117 0.000 0.837 79 P CB -0.213 31.558 31.700 0.117 0.000 0.786 80 C N -0.953 118.396 119.300 0.082 0.000 2.432 80 C HA -0.124 4.332 4.460 -0.008 0.000 0.277 80 C C 2.512 177.579 174.990 0.129 0.000 1.249 80 C CA 0.716 59.859 59.018 0.208 0.000 1.725 80 C CB -1.666 26.163 27.740 0.148 0.000 2.028 80 C HN 0.081 nan 8.230 nan 0.000 0.477 81 I N 1.102 121.588 120.570 -0.141 0.000 2.252 81 I HA -0.132 4.034 4.170 -0.008 0.000 0.245 81 I C 2.188 178.276 176.117 -0.049 0.000 1.102 81 I CA 1.300 62.366 61.300 -0.391 0.000 1.385 81 I CB -0.644 36.996 38.000 -0.600 0.000 1.064 81 I HN 0.421 nan 8.210 nan 0.000 0.414 82 N N 0.906 119.569 118.700 -0.062 0.000 2.120 82 N HA -0.206 4.529 4.740 -0.008 0.000 0.188 82 N C 1.901 177.337 175.510 -0.124 0.000 1.024 82 N CA 1.199 54.158 53.050 -0.153 0.000 0.852 82 N CB -0.415 37.944 38.487 -0.212 0.000 1.003 82 N HN 0.320 nan 8.380 nan 0.000 0.424 83 R N 0.396 120.930 120.500 0.056 0.000 2.081 83 R HA -0.058 4.278 4.340 -0.008 0.000 0.235 83 R C 2.150 178.655 176.300 0.343 0.000 1.131 83 R CA 1.566 57.752 56.100 0.144 0.000 0.960 83 R CB -0.530 29.642 30.300 -0.214 0.000 0.856 83 R HN 0.220 nan 8.270 nan 0.000 0.436 84 G N -0.739 108.256 108.800 0.324 0.000 2.422 84 G HA2 -0.265 3.691 3.960 -0.008 0.000 0.218 84 G HA3 -0.265 3.691 3.960 -0.008 0.000 0.218 84 G C 1.007 175.999 174.900 0.152 0.000 1.146 84 G CA 0.630 45.884 45.100 0.257 0.000 0.769 84 G HN 0.366 nan 8.290 nan 0.000 0.547 85 Y N -1.556 118.821 120.300 0.129 0.000 2.337 85 Y HA 0.064 4.609 4.550 -0.007 0.000 0.293 85 Y C 2.436 178.393 175.900 0.095 0.000 1.123 85 Y CA 0.569 58.709 58.100 0.066 0.000 1.201 85 Y CB -0.156 38.275 38.460 -0.049 0.000 1.011 85 Y HN 0.345 nan 8.280 nan 0.000 0.545 86 W N 0.506 121.875 121.300 0.115 0.000 2.358 86 W HA -0.234 4.421 4.660 -0.008 0.000 0.303 86 W C 1.692 178.412 176.519 0.335 0.000 1.208 86 W CA 1.758 59.226 57.345 0.206 0.000 1.274 86 W CB -0.457 29.113 29.460 0.184 0.000 1.138 86 W HN -0.021 nan 8.180 nan 0.000 0.515 87 L N 0.383 121.894 121.223 0.479 0.000 2.083 87 L HA -0.218 4.117 4.340 -0.008 0.000 0.209 87 L C 2.741 179.701 176.870 0.150 0.000 1.083 87 L CA 1.837 56.900 54.840 0.372 0.000 0.752 87 L CB -0.771 41.626 42.059 0.563 0.000 0.899 87 L HN 0.030 nan 8.230 nan 0.000 0.433 88 R N 0.367 120.914 120.500 0.078 0.000 2.081 88 R HA -0.156 4.179 4.340 -0.008 0.000 0.235 88 R C 2.284 178.549 176.300 -0.059 0.000 1.131 88 R CA 1.263 57.359 56.100 -0.006 0.000 0.960 88 R CB -0.171 30.064 30.300 -0.107 0.000 0.856 88 R HN 0.282 nan 8.270 nan 0.000 0.436 89 L N -0.259 120.891 121.223 -0.122 0.000 2.046 89 L HA -0.147 4.188 4.340 -0.008 0.000 0.208 89 L C 2.312 178.911 176.870 -0.452 0.000 1.077 89 L CA 1.118 55.776 54.840 -0.304 0.000 0.747 89 L CB -0.484 41.361 42.059 -0.356 0.000 0.896 89 L HN 0.225 nan 8.230 nan 0.000 0.432 90 F N 0.824 120.438 119.950 -0.559 0.000 2.186 90 F HA -0.153 4.369 4.527 -0.008 0.000 0.299 90 F C 2.390 178.098 175.800 -0.153 0.000 1.090 90 F CA 0.895 58.659 58.000 -0.394 0.000 1.307 90 F CB -0.289 38.281 39.000 -0.716 0.000 1.019 90 F HN -0.009 nan 8.300 nan 0.000 0.489 91 A N 1.070 123.825 122.820 -0.107 0.000 1.851 91 A HA -0.189 4.127 4.320 -0.008 0.000 0.216 91 A C 2.218 179.703 177.584 -0.165 0.000 1.195 91 A CA 2.105 54.090 52.037 -0.087 0.000 0.622 91 A CB -1.065 17.953 19.000 0.030 0.000 0.831 91 A HN 0.366 nan 8.150 nan 0.000 0.444 92 I N -0.612 119.861 120.570 -0.162 0.000 2.202 92 I HA -0.147 4.018 4.170 -0.008 0.000 0.242 92 I C 2.519 178.516 176.117 -0.201 0.000 1.091 92 I CA 1.795 62.997 61.300 -0.163 0.000 1.368 92 I CB -1.327 36.596 38.000 -0.128 0.000 1.058 92 I HN 0.377 nan 8.210 nan 0.000 0.410 93 R N 2.051 122.392 120.500 -0.264 0.000 2.091 93 R HA -0.154 4.181 4.340 -0.008 0.000 0.238 93 R C 2.509 178.735 176.300 -0.124 0.000 1.136 93 R CA 2.261 58.238 56.100 -0.205 0.000 0.959 93 R CB -0.736 29.399 30.300 -0.274 0.000 0.856 93 R HN 0.495 nan 8.270 nan 0.000 0.437 94 S N -0.011 115.534 115.700 -0.259 0.000 2.368 94 S HA -0.097 4.369 4.470 -0.008 0.000 0.225 94 S C 1.938 176.468 174.600 -0.117 0.000 1.030 94 S CA 0.639 58.734 58.200 -0.175 0.000 0.999 94 S CB -0.298 62.600 63.200 -0.502 0.000 0.844 94 S HN 0.200 nan 8.310 nan 0.000 0.459 95 R N 1.661 122.054 120.500 -0.177 0.000 2.070 95 R HA 0.203 4.539 4.340 -0.008 0.000 0.233 95 R C 2.428 178.571 176.300 -0.263 0.000 1.137 95 R CA 1.233 57.190 56.100 -0.238 0.000 0.945 95 R CB -1.634 28.483 30.300 -0.304 0.000 0.845 95 R HN 0.481 nan 8.270 nan 0.000 0.430 96 L N 1.014 122.130 121.223 -0.178 0.000 2.042 96 L HA -0.213 4.123 4.340 -0.008 0.000 0.210 96 L C 2.005 178.860 176.870 -0.025 0.000 1.076 96 L CA 1.266 56.055 54.840 -0.086 0.000 0.749 96 L CB -0.602 41.491 42.059 0.057 0.000 0.893 96 L HN 0.169 nan 8.230 nan 0.000 0.432 97 N N 0.036 118.756 118.700 0.034 0.000 2.069 97 N HA -0.188 4.548 4.740 -0.008 0.000 0.191 97 N C 2.118 177.576 175.510 -0.088 0.000 1.031 97 N CA 1.847 54.922 53.050 0.043 0.000 0.852 97 N CB -0.470 38.101 38.487 0.140 0.000 1.018 97 N HN 0.396 nan 8.380 nan 0.000 0.423 98 S N 0.215 115.744 115.700 -0.285 0.000 2.399 98 S HA -0.045 4.421 4.470 -0.008 0.000 0.231 98 S C 2.040 176.608 174.600 -0.054 0.000 1.022 98 S CA 0.695 58.619 58.200 -0.461 0.000 0.983 98 S CB -0.481 62.017 63.200 -1.171 0.000 0.803 98 S HN 0.293 nan 8.310 nan 0.000 0.480 99 I N 0.186 120.703 120.570 -0.088 0.000 2.277 99 I HA 0.005 4.170 4.170 -0.008 0.000 0.243 99 I C 2.194 178.258 176.117 -0.088 0.000 1.094 99 I CA 0.681 61.914 61.300 -0.112 0.000 1.393 99 I CB -0.296 37.397 38.000 -0.512 0.000 1.078 99 I HN 0.231 nan 8.210 nan 0.000 0.417 100 I N 1.076 121.546 120.570 -0.167 0.000 2.286 100 I HA -0.259 3.907 4.170 -0.008 0.000 0.248 100 I C 2.385 178.417 176.117 -0.140 0.000 1.115 100 I CA 1.624 62.791 61.300 -0.222 0.000 1.392 100 I CB -0.503 37.232 38.000 -0.441 0.000 1.065 100 I HN 0.190 nan 8.210 nan 0.000 0.418 101 E N -0.571 119.575 120.200 -0.090 0.000 2.106 101 E HA -0.264 4.081 4.350 -0.008 0.000 0.192 101 E C 2.068 178.654 176.600 -0.024 0.000 0.984 101 E CA 0.954 57.327 56.400 -0.045 0.000 0.806 101 E CB -0.120 29.579 29.700 -0.001 0.000 0.750 101 E HN 0.539 nan 8.360 nan 0.000 0.458 102 Q N 0.170 119.973 119.800 0.005 0.000 2.402 102 Q HA 0.018 4.353 4.340 -0.008 0.000 0.206 102 Q C -0.128 175.903 176.000 0.052 0.000 0.919 102 Q CA 0.386 56.199 55.803 0.016 0.000 0.923 102 Q CB 0.692 29.432 28.738 0.004 0.000 1.048 102 Q HN 0.036 nan 8.270 nan 0.000 0.515 103 T N 3.446 118.028 114.554 0.046 0.000 2.761 103 T HA 0.242 4.588 4.350 -0.008 0.000 0.296 103 T C -2.491 172.205 174.700 -0.007 0.000 0.934 103 T CA -1.239 60.883 62.100 0.037 0.000 1.091 103 T CB 1.074 69.943 68.868 0.002 0.000 0.896 103 T HN 0.087 nan 8.240 nan 0.000 0.515 104 P HA -0.004 nan 4.420 nan 0.000 0.260 104 P C 1.016 178.297 177.300 -0.031 0.000 1.172 104 P CA 0.032 63.122 63.100 -0.016 0.000 0.760 104 P CB 0.474 32.167 31.700 -0.012 0.000 0.773 105 Q N 2.387 122.167 119.800 -0.033 0.000 2.297 105 Q HA -0.190 4.146 4.340 -0.008 0.000 0.208 105 Q C 1.141 177.119 176.000 -0.037 0.000 0.981 105 Q CA 1.566 57.345 55.803 -0.040 0.000 0.876 105 Q CB -0.128 28.590 28.738 -0.034 0.000 0.921 105 Q HN 0.628 nan 8.270 nan 0.000 0.446 106 D N -0.874 119.507 120.400 -0.031 0.000 2.317 106 D HA -0.060 4.576 4.640 -0.008 0.000 0.211 106 D C 0.075 176.353 176.300 -0.037 0.000 0.966 106 D CA 0.329 54.312 54.000 -0.029 0.000 0.876 106 D CB 0.169 40.955 40.800 -0.024 0.000 0.927 106 D HN -0.018 nan 8.370 nan 0.000 0.519 107 K N 1.498 121.872 120.400 -0.043 0.000 2.205 107 K HA 0.267 4.582 4.320 -0.008 0.000 0.279 107 K C 0.264 176.823 176.600 -0.067 0.000 1.027 107 K CA -0.445 55.809 56.287 -0.054 0.000 0.932 107 K CB 1.993 34.459 32.500 -0.055 0.000 1.032 107 K HN 0.004 nan 8.250 nan 0.000 0.466 108 K N 2.378 122.734 120.400 -0.072 0.000 2.237 108 K HA 0.342 4.657 4.320 -0.008 0.000 0.270 108 K C 0.114 176.644 176.600 -0.117 0.000 1.015 108 K CA -0.177 56.058 56.287 -0.087 0.000 0.949 108 K CB 0.632 33.085 32.500 -0.078 0.000 0.976 108 K HN 0.417 nan 8.250 nan 0.000 0.472 109 I N 2.126 122.606 120.570 -0.149 0.000 2.465 109 I HA 0.250 4.416 4.170 -0.008 0.000 0.291 109 I C -0.806 175.153 176.117 -0.263 0.000 1.014 109 I CA -1.166 60.016 61.300 -0.197 0.000 1.093 109 I CB 2.056 39.929 38.000 -0.212 0.000 1.267 109 I HN 0.173 nan 8.210 nan 0.000 0.431 110 V N 6.758 126.497 119.914 -0.292 0.000 2.444 110 V HA 0.345 4.460 4.120 -0.008 0.000 0.294 110 V C -0.134 175.692 176.094 -0.447 0.000 1.022 110 V CA -0.722 61.363 62.300 -0.359 0.000 0.850 110 V CB 1.958 33.610 31.823 -0.285 0.000 0.992 110 V HN 0.388 nan 8.190 nan 0.000 0.426 111 V N 5.952 125.534 119.914 -0.554 0.000 2.364 111 V HA 0.391 4.506 4.120 -0.008 0.000 0.272 111 V C -0.058 175.847 176.094 -0.316 0.000 1.036 111 V CA -0.447 61.572 62.300 -0.468 0.000 0.880 111 V CB 1.682 33.200 31.823 -0.509 0.000 0.991 111 V HN 0.621 nan 8.190 nan 0.000 0.460 112 V N 4.708 124.413 119.914 -0.349 0.000 2.357 112 V HA 0.386 4.502 4.120 -0.008 0.000 0.284 112 V C 0.082 176.132 176.094 -0.073 0.000 1.018 112 V CA -0.686 61.490 62.300 -0.207 0.000 0.841 112 V CB 1.561 33.210 31.823 -0.291 0.000 0.991 112 V HN 0.826 nan 8.190 nan 0.000 0.437 113 N N 5.271 123.974 118.700 0.005 0.000 2.462 113 N HA 0.372 5.108 4.740 -0.008 0.000 0.242 113 N C -0.720 174.816 175.510 0.043 0.000 1.010 113 N CA -0.298 52.767 53.050 0.025 0.000 0.939 113 N CB 0.877 39.395 38.487 0.052 0.000 1.127 113 N HN 0.623 nan 8.380 nan 0.000 0.509 114 L N 2.509 123.757 121.223 0.041 0.000 2.283 114 L HA 0.371 4.706 4.340 -0.008 0.000 0.287 114 L C 1.235 178.114 176.870 0.015 0.000 1.073 114 L CA -0.657 54.206 54.840 0.039 0.000 0.822 114 L CB 0.706 42.781 42.059 0.028 0.000 1.186 114 L HN 0.733 nan 8.230 nan 0.000 0.436 115 G N 2.259 111.053 108.800 -0.010 0.000 2.368 115 G HA2 -0.263 3.693 3.960 -0.008 0.000 0.290 115 G HA3 -0.263 3.693 3.960 -0.008 0.000 0.290 115 G C 0.797 175.710 174.900 0.022 0.000 1.098 115 G CA 0.083 45.177 45.100 -0.010 0.000 1.073 115 G HN 0.982 nan 8.290 nan 0.000 0.511 116 C N -0.562 118.740 119.300 0.002 0.000 2.432 116 C HA 0.478 4.934 4.460 -0.008 0.000 0.280 116 C C 2.674 177.651 174.990 -0.021 0.000 1.353 116 C CA 0.595 59.619 59.018 0.011 0.000 1.766 116 C CB -1.238 26.513 27.740 0.018 0.000 1.924 116 C HN 2.500 nan 8.230 nan 0.000 0.509 117 G N 0.627 109.375 108.800 -0.087 0.000 2.594 117 G HA2 -0.338 3.617 3.960 -0.008 0.000 0.297 117 G HA3 -0.338 3.617 3.960 -0.008 0.000 0.297 117 G C -0.115 174.547 174.900 -0.397 0.000 1.273 117 G CA 0.800 45.769 45.100 -0.218 0.000 0.974 117 G HN 0.692 nan 8.290 nan 0.000 0.552 118 Y N 1.524 121.759 120.300 -0.108 0.000 2.596 118 Y HA 0.329 4.874 4.550 -0.008 0.000 0.316 118 Y C 1.210 176.812 175.900 -0.498 0.000 1.156 118 Y CA 0.112 57.941 58.100 -0.452 0.000 1.300 118 Y CB 0.158 38.358 38.460 -0.432 0.000 1.130 118 Y HN 0.437 nan 8.280 nan 0.000 0.518 119 D N 2.646 122.994 120.400 -0.086 0.000 2.401 119 D HA 0.005 4.641 4.640 -0.008 0.000 0.254 119 D C -1.811 174.477 176.300 -0.020 0.000 1.192 119 D CA -1.966 52.057 54.000 0.039 0.000 0.885 119 D CB 1.311 42.167 40.800 0.093 0.000 1.147 119 D HN 0.113 nan 8.370 nan 0.000 0.478 120 P HA 0.008 nan 4.420 nan 0.000 0.257 120 P C 1.521 178.797 177.300 -0.041 0.000 1.325 120 P CA -0.243 62.922 63.100 0.109 0.000 0.850 120 P CB 0.290 32.051 31.700 0.102 0.000 1.324 121 L N 1.632 122.776 121.223 -0.133 0.000 2.021 121 L HA -0.119 4.217 4.340 -0.008 0.000 0.215 121 L C -0.863 175.707 176.870 -0.500 0.000 1.074 121 L CA 2.890 57.577 54.840 -0.256 0.000 0.760 121 L CB -2.087 39.884 42.059 -0.148 0.000 0.889 121 L HN 0.044 nan 8.230 nan 0.000 0.433 122 P HA -0.146 nan 4.420 nan 0.000 0.217 122 P C 1.481 178.163 177.300 -1.029 0.000 1.150 122 P CA 1.636 63.926 63.100 -1.351 0.000 0.832 122 P CB -0.155 30.916 31.700 -1.048 0.000 0.787 123 F N -0.260 119.379 119.950 -0.519 0.000 2.186 123 F HA -0.106 4.416 4.527 -0.008 0.000 0.299 123 F C 2.774 178.231 175.800 -0.573 0.000 1.090 123 F CA 1.179 58.936 58.000 -0.405 0.000 1.307 123 F CB -1.199 37.661 39.000 -0.233 0.000 1.019 123 F HN -0.060 nan 8.300 nan 0.000 0.489 124 Q N 0.822 120.199 119.800 -0.705 0.000 2.096 124 Q HA -0.202 4.133 4.340 -0.008 0.000 0.204 124 Q C 2.068 177.754 176.000 -0.524 0.000 0.982 124 Q CA 1.699 56.828 55.803 -1.124 0.000 0.850 124 Q CB -0.221 28.011 28.738 -0.843 0.000 0.901 124 Q HN 0.483 nan 8.270 nan 0.000 0.422 125 L N -0.081 120.877 121.223 -0.441 0.000 2.209 125 L HA -0.057 4.278 4.340 -0.008 0.000 0.207 125 L C 2.258 179.149 176.870 0.036 0.000 1.094 125 L CA 0.280 54.961 54.840 -0.266 0.000 0.790 125 L CB -0.067 41.752 42.059 -0.398 0.000 0.932 125 L HN 0.233 nan 8.230 nan 0.000 0.447 126 L N -0.771 120.393 121.223 -0.098 0.000 2.341 126 L HA -0.025 4.311 4.340 -0.008 0.000 0.214 126 L C 0.600 177.425 176.870 -0.075 0.000 1.115 126 L CA 0.020 54.869 54.840 0.014 0.000 0.820 126 L CB -0.207 41.782 42.059 -0.117 0.000 0.944 126 L HN 0.167 nan 8.230 nan 0.000 0.452 127 D N 0.518 120.880 120.400 -0.063 0.000 2.363 127 D HA -0.059 4.577 4.640 -0.008 0.000 0.263 127 D C 1.447 177.614 176.300 -0.221 0.000 1.258 127 D CA 0.216 54.193 54.000 -0.038 0.000 0.907 127 D CB 1.266 42.167 40.800 0.168 0.000 1.107 127 D HN 0.136 nan 8.370 nan 0.000 0.495 128 T N 1.113 115.456 114.554 -0.351 0.000 3.007 128 T HA -0.132 4.214 4.350 -0.008 0.000 0.270 128 T C 1.357 176.010 174.700 -0.078 0.000 1.107 128 T CA 0.462 62.284 62.100 -0.463 0.000 1.118 128 T CB -0.015 68.706 68.868 -0.246 0.000 0.889 128 T HN 0.246 nan 8.240 nan 0.000 0.506 129 N N 2.076 120.786 118.700 0.016 0.000 2.381 129 N HA -0.009 4.726 4.740 -0.008 0.000 0.182 129 N C 0.508 176.118 175.510 0.166 0.000 1.025 129 N CA 0.495 53.602 53.050 0.094 0.000 0.888 129 N CB -0.526 38.018 38.487 0.096 0.000 0.965 129 N HN 0.434 nan 8.380 nan 0.000 0.438 130 N N 1.651 120.489 118.700 0.230 0.000 2.439 130 N HA 0.043 4.778 4.740 -0.008 0.000 0.243 130 N C 1.153 176.853 175.510 0.316 0.000 1.088 130 N CA -0.178 53.045 53.050 0.289 0.000 0.940 130 N CB 0.250 38.928 38.487 0.319 0.000 1.180 130 N HN 0.220 nan 8.380 nan 0.000 0.505 131 I N 0.203 120.909 120.570 0.227 0.000 3.001 131 I HA -0.028 4.137 4.170 -0.008 0.000 0.268 131 I C 0.734 176.940 176.117 0.148 0.000 1.267 131 I CA 0.708 62.120 61.300 0.187 0.000 1.472 131 I CB 0.105 38.186 38.000 0.135 0.000 1.089 131 I HN 0.256 nan 8.210 nan 0.000 0.468 132 Q N 1.743 121.645 119.800 0.170 0.000 2.482 132 Q HA 0.048 4.383 4.340 -0.008 0.000 0.209 132 Q C 1.407 177.506 176.000 0.164 0.000 0.961 132 Q CA 1.049 56.952 55.803 0.167 0.000 0.945 132 Q CB 0.101 28.958 28.738 0.198 0.000 1.012 132 Q HN 0.788 nan 8.270 nan 0.000 0.515 133 S N -2.124 113.651 115.700 0.126 0.000 2.843 133 S HA 0.188 4.653 4.470 -0.008 0.000 0.249 133 S C 1.042 175.504 174.600 -0.230 0.000 1.047 133 S CA -0.473 57.788 58.200 0.102 0.000 1.042 133 S CB 0.397 63.656 63.200 0.098 0.000 0.936 133 S HN 0.109 nan 8.310 nan 0.000 0.531 134 Q N 1.420 121.036 119.800 -0.307 0.000 2.197 134 Q HA -0.182 4.153 4.340 -0.008 0.000 0.207 134 Q C 1.592 177.384 176.000 -0.347 0.000 0.984 134 Q CA 1.707 57.194 55.803 -0.527 0.000 0.869 134 Q CB -0.357 28.303 28.738 -0.131 0.000 0.906 134 Q HN 0.723 nan 8.270 nan 0.000 0.426 135 Q N -0.834 118.870 119.800 -0.159 0.000 2.488 135 Q HA -0.113 4.223 4.340 -0.008 0.000 0.211 135 Q C 0.452 176.260 176.000 -0.319 0.000 0.967 135 Q CA 0.729 56.399 55.803 -0.221 0.000 0.926 135 Q CB 0.258 28.833 28.738 -0.272 0.000 0.992 135 Q HN 0.491 nan 8.270 nan 0.000 0.506 136 Y N -2.267 117.963 120.300 -0.118 0.000 2.467 136 Y HA 0.086 4.631 4.550 -0.008 0.000 0.250 136 Y C 1.449 177.443 175.900 0.156 0.000 1.155 136 Y CA 0.009 58.126 58.100 0.028 0.000 1.249 136 Y CB 0.500 39.026 38.460 0.110 0.000 1.146 136 Y HN 0.163 nan 8.280 nan 0.000 0.524 137 H N -0.371 118.800 119.070 0.168 0.000 2.502 137 H HA -0.023 4.528 4.556 -0.008 0.000 0.283 137 H C 0.918 176.293 175.328 0.078 0.000 1.015 137 H CA 1.005 57.125 56.048 0.120 0.000 1.298 137 H CB 0.174 29.993 29.762 0.095 0.000 1.411 137 H HN 0.452 nan 8.280 nan 0.000 0.556 138 D N 0.186 120.683 120.400 0.161 0.000 2.840 138 D HA 0.000 4.636 4.640 -0.008 0.000 0.277 138 D C 1.133 177.459 176.300 0.042 0.000 1.066 138 D CA 0.402 54.453 54.000 0.086 0.000 0.979 138 D CB 0.390 41.223 40.800 0.055 0.000 1.157 138 D HN 0.339 nan 8.370 nan 0.000 0.466 139 R N 0.640 121.143 120.500 0.006 0.000 2.586 139 R HA 0.321 4.656 4.340 -0.008 0.000 0.336 139 R C -0.466 175.796 176.300 -0.064 0.000 1.060 139 R CA -0.178 55.904 56.100 -0.030 0.000 1.079 139 R CB -0.262 30.008 30.300 -0.049 0.000 1.317 139 R HN -0.148 nan 8.270 nan 0.000 0.568 140 V N 0.228 120.121 119.914 -0.036 0.000 2.459 140 V HA 0.595 4.710 4.120 -0.008 0.000 0.295 140 V C -0.249 175.769 176.094 -0.127 0.000 1.029 140 V CA -0.710 61.518 62.300 -0.120 0.000 0.874 140 V CB 1.600 33.392 31.823 -0.052 0.000 0.985 140 V HN 0.385 nan 8.190 nan 0.000 0.438 141 S N 3.815 119.337 115.700 -0.297 0.000 2.638 141 S HA 0.880 5.345 4.470 -0.008 0.000 0.302 141 S C -1.403 172.903 174.600 -0.489 0.000 1.096 141 S CA -0.392 57.691 58.200 -0.195 0.000 0.953 141 S CB 1.324 64.454 63.200 -0.117 0.000 1.107 141 S HN 0.378 nan 8.310 nan 0.000 0.503 142 F N 1.473 121.378 119.950 -0.075 0.000 2.565 142 F HA 0.630 5.153 4.527 -0.008 0.000 0.313 142 F C -0.284 175.391 175.800 -0.209 0.000 1.091 142 F CA -0.682 57.254 58.000 -0.107 0.000 0.915 142 F CB 1.809 40.791 39.000 -0.030 0.000 1.208 142 F HN 0.379 nan 8.300 nan 0.000 0.453 143 I N 2.503 123.038 120.570 -0.058 0.000 2.447 143 I HA 0.296 4.462 4.170 -0.008 0.000 0.287 143 I C -1.257 174.803 176.117 -0.096 0.000 1.023 143 I CA -0.697 60.511 61.300 -0.155 0.000 1.083 143 I CB 1.774 39.702 38.000 -0.120 0.000 1.245 143 I HN 0.398 nan 8.210 nan 0.000 0.434 144 D N 7.227 127.523 120.400 -0.172 0.000 2.274 144 D HA 0.543 5.179 4.640 -0.008 0.000 0.239 144 D C -0.465 175.824 176.300 -0.018 0.000 1.104 144 D CA 0.053 54.029 54.000 -0.039 0.000 0.840 144 D CB 1.624 42.443 40.800 0.033 0.000 1.100 144 D HN 0.275 nan 8.370 nan 0.000 0.477 145 I N 2.437 123.018 120.570 0.018 0.000 2.406 145 I HA 0.391 4.557 4.170 -0.008 0.000 0.290 145 I C 0.065 176.174 176.117 -0.015 0.000 0.999 145 I CA -0.495 60.822 61.300 0.027 0.000 1.124 145 I CB 1.754 39.809 38.000 0.091 0.000 1.289 145 I HN 0.171 nan 8.210 nan 0.000 0.441 146 D N 3.436 123.814 120.400 -0.036 0.000 2.779 146 D HA 0.248 4.883 4.640 -0.008 0.000 0.331 146 D C -1.232 175.018 176.300 -0.084 0.000 1.331 146 D CA -0.491 53.447 54.000 -0.103 0.000 0.866 146 D CB 1.445 42.209 40.800 -0.062 0.000 1.409 146 D HN 0.194 nan 8.370 nan 0.000 0.486 147 Y N 0.997 121.312 120.300 0.025 0.000 2.578 147 Y HA -0.014 4.531 4.550 -0.008 0.000 0.339 147 Y C 2.153 178.079 175.900 0.042 0.000 1.231 147 Y CA 0.779 58.901 58.100 0.036 0.000 1.461 147 Y CB 0.807 39.285 38.460 0.031 0.000 1.323 147 Y HN 0.260 nan 8.280 nan 0.000 0.590 148 S N 0.993 116.836 115.700 0.239 0.000 2.368 148 S HA -0.278 4.188 4.470 -0.008 0.000 0.226 148 S C 1.624 176.312 174.600 0.147 0.000 1.044 148 S CA 2.280 60.580 58.200 0.166 0.000 1.062 148 S CB -0.277 63.011 63.200 0.148 0.000 0.931 148 S HN 0.840 nan 8.310 nan 0.000 0.440 149 D N 0.706 121.194 120.400 0.146 0.000 2.144 149 D HA -0.049 4.586 4.640 -0.008 0.000 0.199 149 D C 1.915 178.301 176.300 0.143 0.000 0.984 149 D CA 0.885 54.960 54.000 0.125 0.000 0.834 149 D CB -0.442 40.413 40.800 0.091 0.000 0.955 149 D HN 0.435 nan 8.370 nan 0.000 0.465 150 L N 0.151 121.458 121.223 0.141 0.000 2.044 150 L HA -0.074 4.261 4.340 -0.008 0.000 0.205 150 L C 2.254 179.159 176.870 0.058 0.000 1.075 150 L CA 0.863 55.756 54.840 0.089 0.000 0.747 150 L CB -0.074 41.986 42.059 0.001 0.000 0.903 150 L HN -0.006 nan 8.230 nan 0.000 0.435 151 L N -0.453 120.810 121.223 0.066 0.000 2.131 151 L HA -0.234 4.102 4.340 -0.008 0.000 0.210 151 L C 2.577 179.500 176.870 0.088 0.000 1.092 151 L CA 1.291 56.173 54.840 0.071 0.000 0.759 151 L CB -0.505 41.605 42.059 0.085 0.000 0.903 151 L HN 0.270 nan 8.230 nan 0.000 0.435 152 K N 0.370 120.822 120.400 0.086 0.000 2.032 152 K HA -0.173 4.142 4.320 -0.008 0.000 0.209 152 K C 2.019 178.624 176.600 0.009 0.000 1.048 152 K CA 1.425 57.734 56.287 0.038 0.000 0.927 152 K CB -0.196 32.339 32.500 0.058 0.000 0.712 152 K HN 0.224 nan 8.250 nan 0.000 0.441 153 I N 1.061 121.713 120.570 0.137 0.000 2.252 153 I HA -0.277 3.889 4.170 -0.008 0.000 0.245 153 I C 2.524 178.803 176.117 0.270 0.000 1.102 153 I CA 1.170 62.609 61.300 0.231 0.000 1.385 153 I CB -0.162 38.102 38.000 0.441 0.000 1.064 153 I HN 0.137 nan 8.210 nan 0.000 0.414 154 K N 1.403 122.009 120.400 0.344 0.000 2.057 154 K HA -0.142 4.174 4.320 -0.008 0.000 0.206 154 K C 2.140 178.887 176.600 0.244 0.000 1.050 154 K CA 1.387 57.916 56.287 0.404 0.000 0.935 154 K CB -0.033 32.613 32.500 0.245 0.000 0.715 154 K HN 0.233 nan 8.250 nan 0.000 0.439 155 I N 1.293 121.937 120.570 0.124 0.000 2.226 155 I HA -0.244 3.921 4.170 -0.008 0.000 0.245 155 I C 2.249 178.334 176.117 -0.053 0.000 1.100 155 I CA 1.002 62.333 61.300 0.051 0.000 1.374 155 I CB -0.203 37.800 38.000 0.006 0.000 1.057 155 I HN 0.196 nan 8.210 nan 0.000 0.413 156 E N 0.804 120.909 120.200 -0.158 0.000 2.097 156 E HA -0.230 4.115 4.350 -0.008 0.000 0.196 156 E C 2.328 178.842 176.600 -0.144 0.000 1.000 156 E CA 1.416 57.645 56.400 -0.286 0.000 0.804 156 E CB -0.360 28.892 29.700 -0.748 0.000 0.740 156 E HN 0.518 nan 8.360 nan 0.000 0.454 157 L N 0.232 121.428 121.223 -0.045 0.000 2.109 157 L HA -0.103 4.232 4.340 -0.008 0.000 0.207 157 L C 2.549 179.316 176.870 -0.172 0.000 1.086 157 L CA 0.581 55.377 54.840 -0.073 0.000 0.760 157 L CB -0.286 41.764 42.059 -0.014 0.000 0.910 157 L HN 0.068 nan 8.230 nan 0.000 0.437 158 I N -0.234 120.270 120.570 -0.111 0.000 2.286 158 I HA -0.286 3.879 4.170 -0.008 0.000 0.248 158 I C 2.402 178.425 176.117 -0.157 0.000 1.115 158 I CA 1.417 62.606 61.300 -0.185 0.000 1.392 158 I CB -0.144 37.832 38.000 -0.040 0.000 1.065 158 I HN 0.197 nan 8.210 nan 0.000 0.418 159 K N -0.082 120.247 120.400 -0.118 0.000 2.116 159 K HA -0.061 4.254 4.320 -0.008 0.000 0.203 159 K C 1.917 178.437 176.600 -0.134 0.000 1.052 159 K CA 1.736 57.955 56.287 -0.114 0.000 0.952 159 K CB -0.100 32.323 32.500 -0.129 0.000 0.729 159 K HN 0.405 nan 8.250 nan 0.000 0.446 160 T N -1.301 113.169 114.554 -0.140 0.000 3.107 160 T HA 0.212 4.558 4.350 -0.008 0.000 0.249 160 T C 0.678 175.302 174.700 -0.128 0.000 1.096 160 T CA -0.030 61.998 62.100 -0.120 0.000 1.012 160 T CB -0.100 68.720 68.868 -0.081 0.000 0.977 160 T HN -0.063 nan 8.240 nan 0.000 0.527 161 I N 2.331 122.787 120.570 -0.189 0.000 2.359 161 I HA 0.310 4.476 4.170 -0.008 0.000 0.284 161 I C -1.898 174.067 176.117 -0.252 0.000 1.018 161 I CA -2.861 58.295 61.300 -0.239 0.000 1.173 161 I CB 2.274 40.037 38.000 -0.395 0.000 1.326 161 I HN -0.148 nan 8.210 nan 0.000 0.462 162 P HA -0.180 nan 4.420 nan 0.000 0.216 162 P C 1.050 178.251 177.300 -0.165 0.000 1.150 162 P CA 1.389 64.416 63.100 -0.122 0.000 0.843 162 P CB 0.340 32.000 31.700 -0.067 0.000 0.787 163 E N -0.861 119.193 120.200 -0.243 0.000 2.110 163 E HA -0.119 4.226 4.350 -0.008 0.000 0.193 163 E C 2.008 178.397 176.600 -0.352 0.000 0.988 163 E CA 0.937 57.176 56.400 -0.267 0.000 0.804 163 E CB -0.807 28.726 29.700 -0.277 0.000 0.745 163 E HN 0.226 nan 8.360 nan 0.000 0.458 164 L N -0.034 120.848 121.223 -0.569 0.000 2.044 164 L HA -0.108 4.228 4.340 -0.008 0.000 0.205 164 L C 2.397 179.151 176.870 -0.193 0.000 1.075 164 L CA 0.841 55.355 54.840 -0.545 0.000 0.747 164 L CB -0.431 41.081 42.059 -0.913 0.000 0.903 164 L HN 0.083 nan 8.230 nan 0.000 0.435 165 S N 0.010 115.604 115.700 -0.177 0.000 2.365 165 S HA -0.287 4.179 4.470 -0.008 0.000 0.225 165 S C 1.982 176.573 174.600 -0.016 0.000 1.039 165 S CA 1.895 60.061 58.200 -0.058 0.000 1.033 165 S CB -0.224 62.944 63.200 -0.053 0.000 0.887 165 S HN 0.300 nan 8.310 nan 0.000 0.447 166 K N 0.803 121.180 120.400 -0.038 0.000 2.097 166 K HA -0.042 4.273 4.320 -0.008 0.000 0.206 166 K C 1.919 178.523 176.600 0.007 0.000 1.049 166 K CA 1.294 57.574 56.287 -0.013 0.000 0.933 166 K CB -0.270 32.217 32.500 -0.022 0.000 0.717 166 K HN 0.328 nan 8.250 nan 0.000 0.442 167 I N 1.445 122.030 120.570 0.024 0.000 2.286 167 I HA -0.237 3.929 4.170 -0.008 0.000 0.248 167 I C 1.984 178.113 176.117 0.019 0.000 1.115 167 I CA 1.179 62.505 61.300 0.043 0.000 1.392 167 I CB -0.149 37.927 38.000 0.126 0.000 1.065 167 I HN 0.325 nan 8.210 nan 0.000 0.418 168 I N -2.623 117.970 120.570 0.038 0.000 3.941 168 I HA 0.474 4.639 4.170 -0.008 0.000 0.335 168 I C 1.203 177.349 176.117 0.047 0.000 1.402 168 I CA 0.389 61.704 61.300 0.025 0.000 1.112 168 I CB 0.251 38.256 38.000 0.009 0.000 1.043 168 I HN 0.216 nan 8.210 nan 0.000 0.395 169 G N 1.749 110.571 108.800 0.036 0.000 2.157 169 G HA2 -0.203 3.752 3.960 -0.008 0.000 0.248 169 G HA3 -0.203 3.752 3.960 -0.008 0.000 0.248 169 G C 0.055 174.978 174.900 0.038 0.000 0.979 169 G CA 0.132 45.253 45.100 0.034 0.000 0.650 169 G HN 0.383 nan 8.290 nan 0.000 0.529 170 L N 0.577 121.826 121.223 0.043 0.000 2.479 170 L HA 0.616 4.951 4.340 -0.008 0.000 0.249 170 L C 1.462 178.360 176.870 0.046 0.000 1.178 170 L CA -0.116 54.754 54.840 0.050 0.000 0.811 170 L CB 1.118 43.208 42.059 0.052 0.000 1.187 170 L HN 0.263 nan 8.230 nan 0.000 0.480 171 S N -0.258 115.490 115.700 0.080 0.000 2.585 171 S HA 0.183 4.648 4.470 -0.008 0.000 0.273 171 S C -0.292 174.362 174.600 0.091 0.000 1.339 171 S CA -0.458 57.797 58.200 0.091 0.000 1.028 171 S CB 0.542 63.828 63.200 0.143 0.000 0.906 171 S HN 0.548 nan 8.310 nan 0.000 0.528 177 V N 3.011 122.729 119.914 -0.327 0.000 2.540 177 V HA 0.646 4.762 4.120 -0.008 0.000 0.302 177 V C -0.960 174.909 176.094 -0.375 0.000 1.035 177 V CA -0.462 61.592 62.300 -0.410 0.000 0.873 177 V CB 1.931 33.651 31.823 -0.173 0.000 0.992 177 V HN 0.731 nan 8.190 nan 0.000 0.428 178 D N 3.799 123.946 120.400 -0.421 0.000 2.325 178 D HA 0.230 4.865 4.640 -0.008 0.000 0.251 178 D C 0.313 176.533 176.300 -0.134 0.000 1.196 178 D CA 0.210 54.074 54.000 -0.227 0.000 0.866 178 D CB 1.696 42.369 40.800 -0.213 0.000 1.101 178 D HN 0.943 nan 8.370 nan 0.000 0.476 179 D N 0.442 120.801 120.400 -0.069 0.000 2.402 179 D HA -0.038 4.597 4.640 -0.008 0.000 0.216 179 D C 1.258 177.546 176.300 -0.020 0.000 1.128 179 D CA -0.166 53.814 54.000 -0.033 0.000 0.833 179 D CB 0.218 41.016 40.800 -0.004 0.000 0.971 179 D HN 0.166 nan 8.370 nan 0.000 0.503 180 S N 0.272 115.949 115.700 -0.037 0.000 2.423 180 S HA -0.218 4.248 4.470 -0.008 0.000 0.231 180 S C 1.153 175.737 174.600 -0.027 0.000 1.014 180 S CA 0.430 58.616 58.200 -0.023 0.000 0.965 180 S CB -0.805 62.375 63.200 -0.034 0.000 0.785 180 S HN 0.314 nan 8.310 nan 0.000 0.495 181 N N 0.848 119.511 118.700 -0.062 0.000 2.705 181 N HA -0.151 4.584 4.740 -0.008 0.000 0.255 181 N C -0.209 175.275 175.510 -0.044 0.000 1.008 181 N CA 0.687 53.696 53.050 -0.069 0.000 0.742 181 N CB -1.777 36.708 38.487 -0.005 0.000 0.906 181 N HN 0.685 nan 8.380 nan 0.000 0.541 182 V N -1.961 117.899 119.914 -0.090 0.000 3.036 182 V HA 0.498 4.614 4.120 -0.008 0.000 0.308 182 V C 1.245 177.305 176.094 -0.057 0.000 1.070 182 V CA 0.162 62.414 62.300 -0.081 0.000 1.056 182 V CB 1.710 33.376 31.823 -0.261 0.000 1.084 182 V HN 0.326 nan 8.190 nan 0.000 0.471 183 D N 0.262 120.712 120.400 0.085 0.000 2.368 183 D HA 0.199 4.835 4.640 -0.008 0.000 0.218 183 D C -0.064 176.366 176.300 0.217 0.000 1.112 183 D CA -0.137 53.946 54.000 0.138 0.000 0.834 183 D CB -0.190 40.710 40.800 0.166 0.000 0.953 183 D HN 0.649 nan 8.370 nan 0.000 0.505 184 F N -1.321 118.655 119.950 0.043 0.000 2.626 184 F HA 0.745 5.268 4.527 -0.008 0.000 0.311 184 F C -1.951 173.879 175.800 0.051 0.000 1.088 184 F CA -1.702 56.320 58.000 0.037 0.000 0.949 184 F CB 1.462 40.477 39.000 0.025 0.000 1.322 184 F HN -0.165 nan 8.300 nan 0.000 0.461 185 L N 1.453 122.739 121.223 0.106 0.000 2.513 185 L HA 0.735 5.070 4.340 -0.008 0.000 0.261 185 L C -1.352 175.607 176.870 0.148 0.000 0.945 185 L CA -0.003 54.864 54.840 0.045 0.000 0.848 185 L CB 2.638 44.770 42.059 0.122 0.000 1.334 185 L HN 0.873 nan 8.230 nan 0.000 0.407 186 T N 2.691 117.333 114.554 0.146 0.000 2.847 186 T HA 0.750 5.095 4.350 -0.008 0.000 0.291 186 T C -0.485 174.285 174.700 0.116 0.000 0.998 186 T CA -0.300 61.880 62.100 0.133 0.000 0.967 186 T CB 1.310 70.271 68.868 0.154 0.000 0.954 186 T HN 0.815 nan 8.240 nan 0.000 0.441 187 T N 0.432 115.056 114.554 0.116 0.000 2.838 187 T HA 0.582 4.927 4.350 -0.008 0.000 0.292 187 T C -2.207 172.543 174.700 0.084 0.000 1.113 187 T CA -1.927 60.238 62.100 0.108 0.000 1.008 187 T CB 1.406 70.360 68.868 0.142 0.000 1.259 187 T HN 0.078 nan 8.240 nan 0.000 0.520 188 P HA 0.062 nan 4.420 nan 0.000 0.218 188 P C 0.993 178.328 177.300 0.058 0.000 1.149 188 P CA 0.958 64.089 63.100 0.051 0.000 0.817 188 P CB 0.163 31.889 31.700 0.043 0.000 0.785 189 K N -3.161 117.293 120.400 0.091 0.000 2.373 189 K HA 0.160 4.475 4.320 -0.008 0.000 0.200 189 K C -0.180 176.540 176.600 0.199 0.000 1.054 189 K CA -0.036 56.325 56.287 0.122 0.000 1.065 189 K CB 0.772 33.350 32.500 0.129 0.000 0.886 189 K HN 0.208 nan 8.250 nan 0.000 0.546 190 Y N 1.020 121.330 120.300 0.017 0.000 2.361 190 Y HA 0.370 4.916 4.550 -0.008 0.000 0.328 190 Y C -1.546 174.368 175.900 0.023 0.000 1.044 190 Y CA -0.932 57.167 58.100 -0.002 0.000 1.085 190 Y CB 1.034 39.415 38.460 -0.131 0.000 1.194 190 Y HN -0.203 nan 8.280 nan 0.000 0.438 191 L N 5.719 126.627 121.223 -0.527 0.000 2.334 191 L HA 0.930 5.266 4.340 -0.008 0.000 0.276 191 L C -0.510 175.948 176.870 -0.687 0.000 1.014 191 L CA -1.303 53.285 54.840 -0.420 0.000 0.815 191 L CB 1.972 43.921 42.059 -0.183 0.000 1.268 191 L HN 0.780 nan 8.230 nan 0.000 0.428 192 A N 3.222 125.857 122.820 -0.309 0.000 2.303 192 A HA 0.828 5.143 4.320 -0.008 0.000 0.320 192 A C -0.719 176.880 177.584 0.025 0.000 1.192 192 A CA -0.664 51.297 52.037 -0.126 0.000 0.821 192 A CB 0.885 19.923 19.000 0.064 0.000 1.188 192 A HN 0.625 nan 8.150 nan 0.000 0.492 193 R N 2.710 123.224 120.500 0.023 0.000 2.502 193 R HA 0.437 4.772 4.340 -0.008 0.000 0.298 193 R C -3.244 173.097 176.300 0.069 0.000 1.018 193 R CA -1.963 54.174 56.100 0.061 0.000 0.899 193 R CB 2.027 32.341 30.300 0.023 0.000 1.181 193 R HN 0.455 nan 8.270 nan 0.000 0.444 194 P HA 0.225 nan 4.420 nan 0.000 0.276 194 P C -0.439 176.905 177.300 0.073 0.000 1.230 194 P CA -0.405 62.748 63.100 0.088 0.000 0.776 194 P CB 0.918 32.688 31.700 0.117 0.000 0.888 195 C N 2.997 122.326 119.300 0.049 0.000 3.046 195 C HA 0.273 4.729 4.460 -0.008 0.000 0.388 195 C C -1.203 173.768 174.990 -0.032 0.000 1.041 195 C CA -0.560 58.490 59.018 0.055 0.000 1.241 195 C CB 1.145 28.958 27.740 0.121 0.000 1.638 195 C HN 0.587 nan 8.230 nan 0.000 0.539 196 D N 3.903 124.315 120.400 0.019 0.000 2.336 196 D HA 0.219 4.855 4.640 -0.008 0.000 0.249 196 D C 1.000 177.280 176.300 -0.034 0.000 1.213 196 D CA 0.023 54.012 54.000 -0.018 0.000 0.870 196 D CB 0.861 41.749 40.800 0.146 0.000 1.076 196 D HN 0.666 nan 8.370 nan 0.000 0.483 197 L N 3.584 124.727 121.223 -0.133 0.000 2.456 197 L HA -0.083 4.253 4.340 -0.008 0.000 0.224 197 L C 1.807 178.618 176.870 -0.098 0.000 1.148 197 L CA 0.199 54.947 54.840 -0.152 0.000 0.825 197 L CB -0.232 41.693 42.059 -0.224 0.000 0.937 197 L HN 0.346 nan 8.230 nan 0.000 0.450 198 N N -0.313 118.371 118.700 -0.027 0.000 2.520 198 N HA -0.124 4.611 4.740 -0.008 0.000 0.185 198 N C 0.463 175.985 175.510 0.019 0.000 1.068 198 N CA 0.844 53.898 53.050 0.007 0.000 0.911 198 N CB -0.102 38.416 38.487 0.051 0.000 0.961 198 N HN 0.232 nan 8.380 nan 0.000 0.446 199 D N -0.063 120.358 120.400 0.034 0.000 2.485 199 D HA 0.149 4.784 4.640 -0.008 0.000 0.229 199 D C 0.604 176.962 176.300 0.097 0.000 1.101 199 D CA -0.201 53.835 54.000 0.060 0.000 0.906 199 D CB 0.570 41.414 40.800 0.073 0.000 1.019 199 D HN 0.032 nan 8.370 nan 0.000 0.516 200 S N 2.768 118.520 115.700 0.087 0.000 2.453 200 S HA -0.105 4.360 4.470 -0.008 0.000 0.231 200 S C 1.560 176.283 174.600 0.205 0.000 1.005 200 S CA 0.466 58.762 58.200 0.160 0.000 0.949 200 S CB 0.163 63.419 63.200 0.094 0.000 0.774 200 S HN 0.390 nan 8.310 nan 0.000 0.510 201 K N 1.399 121.874 120.400 0.125 0.000 2.031 201 K HA 0.092 4.407 4.320 -0.008 0.000 0.205 201 K C 2.285 178.943 176.600 0.096 0.000 1.049 201 K CA 1.328 57.671 56.287 0.094 0.000 0.939 201 K CB -0.371 32.163 32.500 0.057 0.000 0.717 201 K HN 0.360 nan 8.250 nan 0.000 0.438 202 M N 0.664 120.328 119.600 0.105 0.000 2.159 202 M HA -0.166 4.310 4.480 -0.008 0.000 0.263 202 M C 2.011 178.391 176.300 0.133 0.000 1.063 202 M CA 1.564 56.922 55.300 0.097 0.000 1.110 202 M CB -0.102 32.555 32.600 0.095 0.000 1.374 202 M HN 0.130 nan 8.290 nan 0.000 0.411 203 F N 0.245 120.216 119.950 0.034 0.000 2.102 203 F HA -0.177 4.345 4.527 -0.007 0.000 0.298 203 F C 2.655 178.499 175.800 0.072 0.000 1.105 203 F CA 1.970 59.996 58.000 0.044 0.000 1.239 203 F CB -0.791 38.228 39.000 0.031 0.000 0.991 203 F HN 0.274 nan 8.300 nan 0.000 0.474 204 S N -0.802 114.904 115.700 0.010 0.000 2.368 204 S HA -0.188 4.278 4.470 -0.008 0.000 0.225 204 S C 2.053 176.647 174.600 -0.010 0.000 1.030 204 S CA 2.040 60.227 58.200 -0.022 0.000 0.999 204 S CB -0.821 62.448 63.200 0.116 0.000 0.844 204 S HN 0.537 nan 8.310 nan 0.000 0.459 205 T N 2.975 117.526 114.554 -0.004 0.000 2.708 205 T HA -0.081 4.264 4.350 -0.008 0.000 0.266 205 T C 1.703 176.385 174.700 -0.030 0.000 1.037 205 T CA 1.498 63.589 62.100 -0.015 0.000 1.146 205 T CB -0.642 68.223 68.868 -0.005 0.000 0.865 205 T HN 0.367 nan 8.240 nan 0.000 0.435 206 L N 1.109 122.305 121.223 -0.046 0.000 2.013 206 L HA -0.028 4.307 4.340 -0.008 0.000 0.212 206 L C 2.120 178.941 176.870 -0.082 0.000 1.073 206 L CA 1.716 56.522 54.840 -0.058 0.000 0.753 206 L CB -0.819 41.215 42.059 -0.042 0.000 0.890 206 L HN 0.271 nan 8.230 nan 0.000 0.432 207 L N -0.568 120.562 121.223 -0.156 0.000 2.156 207 L HA -0.148 4.187 4.340 -0.008 0.000 0.208 207 L C 2.285 179.190 176.870 0.057 0.000 1.095 207 L CA 1.164 55.937 54.840 -0.111 0.000 0.770 207 L CB -0.724 41.176 42.059 -0.264 0.000 0.914 207 L HN 0.421 nan 8.230 nan 0.000 0.439 208 N N 0.649 119.422 118.700 0.123 0.000 2.142 208 N HA -0.183 4.553 4.740 -0.008 0.000 0.186 208 N C 1.692 177.222 175.510 0.033 0.000 1.023 208 N CA 1.277 54.401 53.050 0.124 0.000 0.852 208 N CB 0.095 38.564 38.487 -0.030 0.000 0.998 208 N HN 0.286 nan 8.380 nan 0.000 0.424 209 E N -0.696 119.502 120.200 -0.003 0.000 2.118 209 E HA -0.138 4.207 4.350 -0.008 0.000 0.195 209 E C 1.497 178.087 176.600 -0.016 0.000 0.992 209 E CA 1.109 57.498 56.400 -0.019 0.000 0.804 209 E CB -0.126 29.554 29.700 -0.034 0.000 0.741 209 E HN 0.417 nan 8.360 nan 0.000 0.458 210 C N 0.339 119.630 119.300 -0.015 0.000 2.539 210 C HA 0.050 4.506 4.460 -0.008 0.000 0.271 210 C C 0.552 175.535 174.990 -0.011 0.000 1.412 210 C CA -0.062 58.942 59.018 -0.024 0.000 1.729 210 C CB -1.133 26.581 27.740 -0.043 0.000 1.739 210 C HN 0.460 nan 8.230 nan 0.000 0.570 211 Q N -0.995 118.817 119.800 0.020 0.000 2.494 211 Q HA -0.210 4.125 4.340 -0.008 0.000 0.272 211 Q C 0.592 176.618 176.000 0.043 0.000 1.145 211 Q CA 0.396 56.222 55.803 0.038 0.000 0.943 211 Q CB -1.637 27.106 28.738 0.008 0.000 1.338 211 Q HN 0.676 nan 8.270 nan 0.000 0.492 212 L N -1.209 120.043 121.223 0.048 0.000 2.599 212 L HA -0.006 4.329 4.340 -0.008 0.000 0.230 212 L C 1.269 178.112 176.870 -0.044 0.000 1.141 212 L CA 0.503 55.329 54.840 -0.024 0.000 0.877 212 L CB -0.166 41.852 42.059 -0.068 0.000 1.009 212 L HN 0.325 nan 8.230 nan 0.000 0.447 213 Y N -0.557 119.734 120.300 -0.016 0.000 2.561 213 Y HA -0.058 4.488 4.550 -0.008 0.000 0.291 213 Y C 1.203 177.089 175.900 -0.024 0.000 1.141 213 Y CA -0.242 57.851 58.100 -0.012 0.000 1.303 213 Y CB -0.045 38.403 38.460 -0.020 0.000 1.015 213 Y HN 0.105 nan 8.280 nan 0.000 0.547 214 D N 1.473 121.927 120.400 0.091 0.000 2.502 214 D HA -0.056 4.579 4.640 -0.008 0.000 0.249 214 D C -1.866 174.428 176.300 -0.010 0.000 1.188 214 D CA -1.418 52.599 54.000 0.029 0.000 0.890 214 D CB 1.173 41.975 40.800 0.003 0.000 1.140 214 D HN 0.088 nan 8.370 nan 0.000 0.505 215 P HA -0.054 nan 4.420 nan 0.000 0.225 215 P C 0.569 177.821 177.300 -0.080 0.000 1.148 215 P CA 0.676 63.744 63.100 -0.054 0.000 0.779 215 P CB 0.254 31.928 31.700 -0.043 0.000 0.780 216 N N -1.221 117.443 118.700 -0.060 0.000 2.461 216 N HA 0.021 4.757 4.740 -0.008 0.000 0.188 216 N C -0.336 175.128 175.510 -0.076 0.000 1.134 216 N CA 0.292 53.303 53.050 -0.065 0.000 0.878 216 N CB 0.101 38.560 38.487 -0.046 0.000 0.972 216 N HN -0.074 nan 8.380 nan 0.000 0.456 217 V N 0.820 120.685 119.914 -0.082 0.000 2.459 217 V HA 0.341 4.457 4.120 -0.008 0.000 0.295 217 V C -0.095 175.931 176.094 -0.112 0.000 1.029 217 V CA -0.989 61.255 62.300 -0.093 0.000 0.874 217 V CB 1.994 33.764 31.823 -0.087 0.000 0.985 217 V HN -0.268 nan 8.190 nan 0.000 0.438 218 V N 4.815 124.659 119.914 -0.116 0.000 2.461 218 V HA 0.382 4.498 4.120 -0.008 0.000 0.275 218 V C 0.098 176.122 176.094 -0.118 0.000 1.047 218 V CA -0.549 61.693 62.300 -0.098 0.000 0.955 218 V CB 1.329 33.116 31.823 -0.061 0.000 0.988 218 V HN 0.797 nan 8.190 nan 0.000 0.471 219 K N 3.341 123.692 120.400 -0.082 0.000 2.164 219 K HA 0.708 5.024 4.320 -0.008 0.000 0.258 219 K C -1.055 175.433 176.600 -0.188 0.000 0.951 219 K CA -0.412 55.739 56.287 -0.228 0.000 0.844 219 K CB 2.027 34.395 32.500 -0.221 0.000 1.099 219 K HN 0.421 nan 8.250 nan 0.000 0.435 220 V N 4.322 123.990 119.914 -0.411 0.000 2.380 220 V HA 0.401 4.517 4.120 -0.008 0.000 0.286 220 V C -1.111 174.691 176.094 -0.487 0.000 1.015 220 V CA -0.820 61.298 62.300 -0.304 0.000 0.834 220 V CB 0.365 32.010 31.823 -0.295 0.000 1.009 220 V HN 0.559 nan 8.190 nan 0.000 0.428 221 F N 3.531 123.346 119.950 -0.226 0.000 2.404 221 F HA 0.587 5.109 4.527 -0.007 0.000 0.345 221 F C 0.293 175.763 175.800 -0.549 0.000 1.110 221 F CA -0.549 57.188 58.000 -0.438 0.000 1.130 221 F CB 1.630 40.201 39.000 -0.715 0.000 1.129 221 F HN 0.177 nan 8.300 nan 0.000 0.500 222 V N 3.022 122.789 119.914 -0.245 0.000 2.444 222 V HA 0.709 4.824 4.120 -0.008 0.000 0.294 222 V C -0.365 175.655 176.094 -0.123 0.000 1.022 222 V CA -0.874 61.316 62.300 -0.185 0.000 0.850 222 V CB 1.497 33.260 31.823 -0.099 0.000 0.992 222 V HN 0.857 nan 8.190 nan 0.000 0.426 223 A N 3.905 126.686 122.820 -0.066 0.000 2.709 223 A HA 0.578 4.894 4.320 -0.008 0.000 0.332 223 A C -0.202 177.423 177.584 0.068 0.000 1.241 223 A CA -0.428 51.635 52.037 0.043 0.000 0.782 223 A CB 0.332 19.439 19.000 0.179 0.000 1.109 223 A HN 0.829 nan 8.150 nan 0.000 0.472 224 E N 2.378 122.615 120.200 0.063 0.000 2.035 224 E HA 0.428 4.773 4.350 -0.008 0.000 0.271 224 E C -0.336 176.332 176.600 0.112 0.000 0.953 224 E CA -0.468 55.983 56.400 0.085 0.000 0.777 224 E CB 0.451 30.203 29.700 0.086 0.000 1.104 224 E HN 0.688 nan 8.360 nan 0.000 0.408 225 V N 4.053 124.018 119.914 0.085 0.000 5.746 225 V HA -0.347 3.769 4.120 -0.008 0.000 0.220 225 V C 0.744 176.855 176.094 0.028 0.000 0.688 225 V CA 1.497 63.806 62.300 0.016 0.000 0.550 225 V CB -2.483 29.423 31.823 0.138 0.000 0.219 225 V HN 0.809 nan 8.190 nan 0.000 0.512 226 S N -1.018 114.691 115.700 0.015 0.000 3.624 226 S HA 0.238 4.704 4.470 -0.008 0.000 0.244 226 S C 0.968 175.615 174.600 0.078 0.000 1.115 226 S CA 0.388 58.669 58.200 0.134 0.000 0.820 226 S CB -0.009 63.258 63.200 0.112 0.000 0.964 226 S HN 0.342 nan 8.310 nan 0.000 0.508 227 L N 3.025 124.263 121.223 0.025 0.000 2.349 227 L HA 0.244 4.580 4.340 -0.008 0.000 0.220 227 L C 2.778 179.612 176.870 -0.059 0.000 1.130 227 L CA 1.364 56.205 54.840 0.001 0.000 0.791 227 L CB -1.107 40.964 42.059 0.020 0.000 0.918 227 L HN 0.600 nan 8.230 nan 0.000 0.444 228 A N -1.316 121.397 122.820 -0.178 0.000 1.978 228 A HA -0.234 4.081 4.320 -0.008 0.000 0.220 228 A C 2.051 179.455 177.584 -0.300 0.000 1.170 228 A CA 1.564 53.413 52.037 -0.313 0.000 0.636 228 A CB -0.870 17.809 19.000 -0.534 0.000 0.810 228 A HN 0.507 nan 8.150 nan 0.000 0.448 229 Y N -0.929 119.348 120.300 -0.037 0.000 2.544 229 Y HA 0.197 4.743 4.550 -0.007 0.000 0.286 229 Y C 1.099 176.999 175.900 -0.000 0.000 1.141 229 Y CA -0.209 57.878 58.100 -0.022 0.000 1.299 229 Y CB -0.218 38.258 38.460 0.026 0.000 1.030 229 Y HN 0.205 nan 8.280 nan 0.000 0.543 230 M N 0.467 120.134 119.600 0.111 0.000 2.342 230 M HA 0.203 4.679 4.480 -0.008 0.000 0.332 230 M C 0.013 176.332 176.300 0.032 0.000 1.166 230 M CA -0.422 54.921 55.300 0.071 0.000 1.086 230 M CB 0.990 33.613 32.600 0.039 0.000 1.541 230 M HN -0.076 nan 8.290 nan 0.000 0.462 231 K N 1.904 122.319 120.400 0.026 0.000 2.414 231 K HA 0.036 4.351 4.320 -0.008 0.000 0.272 231 K C -1.780 174.822 176.600 0.003 0.000 0.993 231 K CA -1.100 55.191 56.287 0.007 0.000 0.964 231 K CB -0.008 32.494 32.500 0.004 0.000 0.925 231 K HN 0.296 nan 8.250 nan 0.000 0.487 232 P HA -0.209 nan 4.420 nan 0.000 0.215 232 P C 0.336 177.651 177.300 0.024 0.000 1.153 232 P CA 1.453 64.579 63.100 0.043 0.000 0.853 232 P CB 0.169 31.856 31.700 -0.022 0.000 0.788 233 E N -0.631 119.565 120.200 -0.007 0.000 2.118 233 E HA -0.185 4.160 4.350 -0.008 0.000 0.195 233 E C 2.153 178.739 176.600 -0.024 0.000 0.992 233 E CA 0.952 57.344 56.400 -0.014 0.000 0.804 233 E CB -0.356 29.334 29.700 -0.016 0.000 0.741 233 E HN 0.136 nan 8.360 nan 0.000 0.458 234 R N 0.496 120.983 120.500 -0.021 0.000 2.075 234 R HA 0.012 4.348 4.340 -0.008 0.000 0.226 234 R C 2.616 178.877 176.300 -0.066 0.000 1.114 234 R CA 1.506 57.587 56.100 -0.032 0.000 0.972 234 R CB -0.941 29.351 30.300 -0.013 0.000 0.869 234 R HN 0.293 nan 8.270 nan 0.000 0.437 235 S N 1.247 116.909 115.700 -0.063 0.000 2.383 235 S HA -0.111 4.355 4.470 -0.008 0.000 0.227 235 S C 1.344 175.838 174.600 -0.177 0.000 1.026 235 S CA 1.234 59.370 58.200 -0.107 0.000 0.981 235 S CB -0.198 62.955 63.200 -0.079 0.000 0.818 235 S HN 0.128 nan 8.310 nan 0.000 0.472 236 D N 1.845 122.155 120.400 -0.149 0.000 2.144 236 D HA 0.013 4.649 4.640 -0.008 0.000 0.199 236 D C 2.101 178.294 176.300 -0.178 0.000 0.984 236 D CA 1.185 55.059 54.000 -0.210 0.000 0.834 236 D CB -0.588 40.142 40.800 -0.116 0.000 0.955 236 D HN 0.411 nan 8.370 nan 0.000 0.465 237 S N 0.243 115.875 115.700 -0.113 0.000 2.382 237 S HA -0.090 4.375 4.470 -0.008 0.000 0.228 237 S C 1.936 176.488 174.600 -0.080 0.000 1.027 237 S CA 0.345 58.501 58.200 -0.073 0.000 0.991 237 S CB 0.055 63.231 63.200 -0.040 0.000 0.823 237 S HN 0.202 nan 8.310 nan 0.000 0.469 238 I N 1.652 122.127 120.570 -0.159 0.000 2.163 238 I HA -0.126 4.039 4.170 -0.008 0.000 0.240 238 I C 2.137 178.175 176.117 -0.131 0.000 1.081 238 I CA 1.242 62.396 61.300 -0.242 0.000 1.353 238 I CB -1.313 36.456 38.000 -0.385 0.000 1.054 238 I HN 0.274 nan 8.210 nan 0.000 0.407 239 I N 0.694 121.098 120.570 -0.278 0.000 2.118 239 I HA -0.347 3.818 4.170 -0.008 0.000 0.241 239 I C 2.600 178.677 176.117 -0.067 0.000 1.070 239 I CA 1.750 62.796 61.300 -0.423 0.000 1.327 239 I CB -0.457 37.018 38.000 -0.875 0.000 1.034 239 I HN 0.288 nan 8.210 nan 0.000 0.405 240 E N 0.986 121.132 120.200 -0.091 0.000 2.118 240 E HA -0.257 4.089 4.350 -0.008 0.000 0.195 240 E C 2.237 178.846 176.600 0.015 0.000 0.992 240 E CA 1.324 57.707 56.400 -0.029 0.000 0.804 240 E CB -0.060 29.610 29.700 -0.051 0.000 0.741 240 E HN 0.495 nan 8.360 nan 0.000 0.458 241 A N 0.469 123.323 122.820 0.057 0.000 1.865 241 A HA -0.251 4.064 4.320 -0.008 0.000 0.217 241 A C 2.486 180.102 177.584 0.053 0.000 1.191 241 A CA 2.659 54.763 52.037 0.111 0.000 0.623 241 A CB -1.484 17.660 19.000 0.239 0.000 0.826 241 A HN 0.534 nan 8.150 nan 0.000 0.444 242 T N -1.367 113.218 114.554 0.051 0.000 2.929 242 T HA -0.137 4.209 4.350 -0.008 0.000 0.271 242 T C 1.860 176.575 174.700 0.025 0.000 1.085 242 T CA 1.835 63.902 62.100 -0.054 0.000 1.125 242 T CB -0.798 67.907 68.868 -0.271 0.000 0.874 242 T HN 0.751 nan 8.240 nan 0.000 0.494 243 S N 1.613 117.272 115.700 -0.069 0.000 2.447 243 S HA 0.014 4.480 4.470 -0.008 0.000 0.233 243 S C 1.740 176.190 174.600 -0.251 0.000 1.006 243 S CA 0.288 58.198 58.200 -0.483 0.000 0.957 243 S CB -0.439 62.435 63.200 -0.542 0.000 0.773 243 S HN 0.608 nan 8.310 nan 0.000 0.507 244 K N 0.509 120.851 120.400 -0.098 0.000 2.437 244 K HA 0.301 4.617 4.320 -0.008 0.000 0.198 244 K C -0.334 176.269 176.600 0.006 0.000 1.024 244 K CA 0.054 56.339 56.287 -0.004 0.000 1.148 244 K CB -0.039 32.515 32.500 0.090 0.000 0.860 244 K HN 0.489 nan 8.250 nan 0.000 0.515 245 M N 1.780 121.292 119.600 -0.148 0.000 2.061 245 M HA 0.149 4.624 4.480 -0.008 0.000 0.346 245 M C -0.170 176.089 176.300 -0.069 0.000 1.112 245 M CA -0.340 54.827 55.300 -0.222 0.000 1.021 245 M CB 1.223 33.586 32.600 -0.395 0.000 1.530 245 M HN 0.008 nan 8.290 nan 0.000 0.437 246 E N 3.545 123.721 120.200 -0.040 0.000 2.413 246 E HA -0.040 4.305 4.350 -0.008 0.000 0.263 246 E C -0.251 176.285 176.600 -0.107 0.000 1.015 246 E CA 0.183 56.550 56.400 -0.055 0.000 0.916 246 E CB 0.440 30.112 29.700 -0.048 0.000 0.947 246 E HN 0.663 nan 8.360 nan 0.000 0.440 247 N N 2.019 120.611 118.700 -0.180 0.000 2.753 247 N HA -0.148 4.588 4.740 -0.008 0.000 0.252 247 N C -1.639 173.817 175.510 -0.090 0.000 1.071 247 N CA 1.000 53.781 53.050 -0.449 0.000 0.690 247 N CB -1.391 36.742 38.487 -0.590 0.000 0.906 247 N HN 0.261 nan 8.380 nan 0.000 0.552 248 S N 0.043 115.836 115.700 0.155 0.000 2.532 248 S HA 0.476 4.941 4.470 -0.008 0.000 0.301 248 S C -0.368 174.481 174.600 0.415 0.000 1.083 248 S CA -0.629 57.782 58.200 0.352 0.000 1.025 248 S CB 1.999 65.498 63.200 0.499 0.000 1.056 248 S HN 0.228 nan 8.310 nan 0.000 0.494 249 H N 0.821 120.114 119.070 0.371 0.000 2.529 249 H HA 0.444 4.995 4.556 -0.008 0.000 0.348 249 H C -1.479 174.034 175.328 0.309 0.000 1.152 249 H CA -0.381 55.848 56.048 0.301 0.000 1.202 249 H CB 1.606 31.414 29.762 0.077 0.000 1.562 249 H HN 0.503 nan 8.280 nan 0.000 0.515 250 F N 2.793 122.813 119.950 0.116 0.000 2.499 250 F HA 0.379 4.902 4.527 -0.006 0.000 0.333 250 F C -0.869 174.868 175.800 -0.106 0.000 1.138 250 F CA -0.627 57.361 58.000 -0.021 0.000 0.945 250 F CB 0.758 39.555 39.000 -0.337 0.000 1.181 250 F HN 0.335 nan 8.300 nan 0.000 0.435 251 I N 7.567 128.115 120.570 -0.036 0.000 2.355 251 I HA 0.412 4.578 4.170 -0.008 0.000 0.288 251 I C -0.755 175.390 176.117 0.045 0.000 0.999 251 I CA -0.528 60.738 61.300 -0.057 0.000 1.163 251 I CB 1.595 39.475 38.000 -0.201 0.000 1.316 251 I HN 0.501 nan 8.210 nan 0.000 0.454 252 I N 7.405 128.039 120.570 0.108 0.000 2.474 252 I HA 0.499 4.664 4.170 -0.008 0.000 0.294 252 I C -1.414 174.741 176.117 0.064 0.000 1.005 252 I CA -0.734 60.662 61.300 0.160 0.000 1.113 252 I CB 1.958 40.140 38.000 0.304 0.000 1.289 252 I HN 0.506 nan 8.210 nan 0.000 0.436 253 L N 8.442 129.706 121.223 0.068 0.000 2.406 253 L HA 0.566 4.902 4.340 -0.008 0.000 0.270 253 L C -1.076 175.847 176.870 0.088 0.000 0.982 253 L CA 0.048 54.931 54.840 0.073 0.000 0.843 253 L CB 0.888 42.994 42.059 0.078 0.000 1.225 253 L HN 0.769 nan 8.230 nan 0.000 0.412 254 E N 2.501 122.732 120.200 0.051 0.000 2.449 254 E HA 0.365 4.710 4.350 -0.008 0.000 0.278 254 E C -1.613 174.853 176.600 -0.223 0.000 1.059 254 E CA -1.126 55.247 56.400 -0.046 0.000 0.854 254 E CB 1.081 30.723 29.700 -0.097 0.000 1.465 254 E HN 0.361 nan 8.360 nan 0.000 0.462 255 Q N 0.338 119.892 119.800 -0.410 0.000 2.354 255 Q HA 0.509 4.845 4.340 -0.008 0.000 0.244 255 Q C -0.667 175.161 176.000 -0.288 0.000 0.969 255 Q CA 0.146 55.612 55.803 -0.562 0.000 0.885 255 Q CB 0.897 29.314 28.738 -0.534 0.000 1.241 255 Q HN 0.364 nan 8.270 nan 0.000 0.461 256 L N 1.856 122.938 121.223 -0.235 0.000 2.323 256 L HA 0.603 4.938 4.340 -0.008 0.000 0.265 256 L C -0.395 176.435 176.870 -0.067 0.000 1.012 256 L CA -1.008 53.748 54.840 -0.140 0.000 0.820 256 L CB 1.591 43.548 42.059 -0.170 0.000 1.334 256 L HN 0.671 nan 8.230 nan 0.000 0.427 257 I N -1.925 118.616 120.570 -0.049 0.000 2.862 257 I HA 0.341 4.507 4.170 -0.008 0.000 0.285 257 I C -2.369 173.728 176.117 -0.034 0.000 1.339 257 I CA -1.734 59.573 61.300 0.012 0.000 1.002 257 I CB 0.950 38.984 38.000 0.057 0.000 1.618 257 I HN 0.272 nan 8.210 nan 0.000 0.593 258 P HA -0.094 nan 4.420 nan 0.000 0.220 258 P C 0.744 178.025 177.300 -0.031 0.000 1.148 258 P CA 1.297 64.333 63.100 -0.107 0.000 0.803 258 P CB 0.137 31.721 31.700 -0.194 0.000 0.782 259 K N -0.505 119.920 120.400 0.042 0.000 2.618 259 K HA 0.438 4.753 4.320 -0.008 0.000 0.207 259 K C 0.781 177.520 176.600 0.233 0.000 1.058 259 K CA 0.046 56.415 56.287 0.137 0.000 1.086 259 K CB 0.242 32.876 32.500 0.222 0.000 0.827 259 K HN 0.151 nan 8.250 nan 0.000 0.481 260 G N 1.999 110.893 108.800 0.156 0.000 2.757 260 G HA2 -0.196 3.760 3.960 -0.008 0.000 0.638 260 G HA3 -0.196 3.760 3.960 -0.008 0.000 0.638 260 G C -2.392 172.588 174.900 0.134 0.000 1.344 260 G CA -0.783 44.416 45.100 0.163 0.000 0.855 260 G HN -0.041 nan 8.290 nan 0.000 0.537 261 P HA 0.184 nan 4.420 nan 0.000 0.237 261 P C 1.063 178.101 177.300 -0.437 0.000 1.178 261 P CA 0.979 63.913 63.100 -0.277 0.000 0.766 261 P CB -0.045 31.346 31.700 -0.514 0.000 0.876 262 F N -1.231 118.785 119.950 0.109 0.000 2.678 262 F HA 0.190 4.711 4.527 -0.010 0.000 0.305 262 F C 1.293 176.844 175.800 -0.414 0.000 1.090 262 F CA -0.473 57.476 58.000 -0.086 0.000 1.272 262 F CB 0.013 38.998 39.000 -0.025 0.000 1.060 262 F HN -0.185 nan 8.300 nan 0.000 0.576 263 E N 2.698 122.923 120.200 0.043 0.000 2.467 263 E HA -0.062 4.284 4.350 -0.008 0.000 0.264 263 E C -1.737 174.774 176.600 -0.149 0.000 1.020 263 E CA -1.130 55.236 56.400 -0.056 0.000 0.945 263 E CB 1.024 30.944 29.700 0.367 0.000 0.942 263 E HN 0.039 nan 8.360 nan 0.000 0.449 264 P HA -0.166 nan 4.420 nan 0.000 0.215 264 P C 1.235 178.566 177.300 0.053 0.000 1.157 264 P CA 1.408 64.457 63.100 -0.085 0.000 0.874 264 P CB -0.152 31.548 31.700 -0.000 0.000 0.790 265 F N -0.237 119.717 119.950 0.007 0.000 2.163 265 F HA -0.103 4.419 4.527 -0.009 0.000 0.297 265 F C 2.264 177.978 175.800 -0.143 0.000 1.094 265 F CA 1.201 59.169 58.000 -0.052 0.000 1.290 265 F CB -0.473 38.462 39.000 -0.109 0.000 1.017 265 F HN -0.188 nan 8.300 nan 0.000 0.483 266 S N 0.532 116.330 115.700 0.164 0.000 2.374 266 S HA -0.276 4.190 4.470 -0.008 0.000 0.227 266 S C 2.035 176.606 174.600 -0.049 0.000 1.037 266 S CA 1.617 59.890 58.200 0.122 0.000 1.024 266 S CB -0.440 62.917 63.200 0.261 0.000 0.861 266 S HN 0.356 nan 8.310 nan 0.000 0.456 267 K N 0.607 120.964 120.400 -0.072 0.000 2.044 267 K HA -0.178 4.137 4.320 -0.008 0.000 0.210 267 K C 2.331 178.864 176.600 -0.112 0.000 1.049 267 K CA 1.387 57.609 56.287 -0.108 0.000 0.927 267 K CB -0.100 32.348 32.500 -0.086 0.000 0.713 267 K HN 0.225 nan 8.250 nan 0.000 0.443 268 Q N 0.127 119.841 119.800 -0.143 0.000 2.079 268 Q HA -0.166 4.169 4.340 -0.008 0.000 0.200 268 Q C 2.013 177.906 176.000 -0.178 0.000 0.974 268 Q CA 1.467 57.185 55.803 -0.141 0.000 0.840 268 Q CB -0.208 28.427 28.738 -0.172 0.000 0.898 268 Q HN 0.464 nan 8.270 nan 0.000 0.430 269 M N 0.106 119.517 119.600 -0.315 0.000 2.059 269 M HA -0.177 4.298 4.480 -0.008 0.000 0.259 269 M C 1.997 178.204 176.300 -0.156 0.000 1.072 269 M CA 1.438 56.459 55.300 -0.466 0.000 1.117 269 M CB -0.108 32.273 32.600 -0.364 0.000 1.320 269 M HN 0.148 nan 8.290 nan 0.000 0.408 270 L N 0.225 121.410 121.223 -0.064 0.000 2.079 270 L HA -0.180 4.155 4.340 -0.008 0.000 0.210 270 L C 2.759 179.648 176.870 0.032 0.000 1.081 270 L CA 1.281 56.129 54.840 0.014 0.000 0.752 270 L CB -1.047 40.978 42.059 -0.056 0.000 0.896 270 L HN 0.448 nan 8.230 nan 0.000 0.433 271 A N -0.552 122.255 122.820 -0.021 0.000 1.930 271 A HA -0.272 4.044 4.320 -0.008 0.000 0.217 271 A C 2.111 179.687 177.584 -0.012 0.000 1.175 271 A CA 1.733 53.761 52.037 -0.015 0.000 0.627 271 A CB -0.825 18.160 19.000 -0.025 0.000 0.815 271 A HN 0.572 nan 8.150 nan 0.000 0.443 272 H N -1.319 117.668 119.070 -0.139 0.000 2.319 272 H HA -0.176 4.375 4.556 -0.008 0.000 0.299 272 H C 1.606 176.795 175.328 -0.231 0.000 1.092 272 H CA 2.418 58.338 56.048 -0.213 0.000 1.302 272 H CB -0.405 29.159 29.762 -0.330 0.000 1.373 272 H HN 0.454 nan 8.280 nan 0.000 0.497 273 F N 0.774 120.674 119.950 -0.083 0.000 2.234 273 F HA -0.023 4.500 4.527 -0.008 0.000 0.299 273 F C 2.518 178.274 175.800 -0.073 0.000 1.087 273 F CA 1.049 59.012 58.000 -0.060 0.000 1.340 273 F CB -0.089 38.960 39.000 0.082 0.000 1.031 273 F HN 0.112 nan 8.300 nan 0.000 0.500 274 K N 0.162 120.616 120.400 0.091 0.000 2.057 274 K HA -0.143 4.173 4.320 -0.008 0.000 0.207 274 K C 2.129 178.713 176.600 -0.027 0.000 1.049 274 K CA 1.194 57.500 56.287 0.031 0.000 0.931 274 K CB -0.233 32.277 32.500 0.017 0.000 0.714 274 K HN 0.215 nan 8.250 nan 0.000 0.440 275 R N 0.644 121.097 120.500 -0.078 0.000 2.120 275 R HA -0.079 4.257 4.340 -0.008 0.000 0.234 275 R C 1.247 177.475 176.300 -0.120 0.000 1.123 275 R CA 1.086 57.128 56.100 -0.097 0.000 0.975 275 R CB -0.217 30.013 30.300 -0.116 0.000 0.866 275 R HN 0.149 nan 8.270 nan 0.000 0.446 276 N N 0.462 119.056 118.700 -0.176 0.000 2.383 276 N HA -0.013 4.722 4.740 -0.008 0.000 0.192 276 N C -0.828 174.646 175.510 -0.060 0.000 1.141 276 N CA 0.330 53.291 53.050 -0.147 0.000 0.851 276 N CB 0.290 38.632 38.487 -0.243 0.000 0.976 276 N HN 0.077 nan 8.380 nan 0.000 0.465 277 D N -1.476 118.903 120.400 -0.034 0.000 2.870 277 D HA -0.142 4.493 4.640 -0.008 0.000 0.228 277 D C -1.024 175.271 176.300 -0.008 0.000 1.147 277 D CA 0.852 54.842 54.000 -0.016 0.000 0.757 277 D CB -1.177 39.607 40.800 -0.026 0.000 1.091 277 D HN 0.100 nan 8.370 nan 0.000 0.429 278 S N -0.305 115.417 115.700 0.038 0.000 2.407 278 S HA 0.273 4.739 4.470 -0.008 0.000 0.166 278 S C -2.543 172.197 174.600 0.233 0.000 1.445 278 S CA -0.979 57.241 58.200 0.033 0.000 1.260 278 S CB 1.411 64.558 63.200 -0.089 0.000 1.401 278 S HN 0.050 nan 8.310 nan 0.000 0.379 279 P HA 0.105 nan 4.420 nan 0.000 0.268 279 P C -0.412 176.986 177.300 0.163 0.000 1.205 279 P CA -0.243 62.957 63.100 0.167 0.000 0.771 279 P CB 0.595 32.345 31.700 0.083 0.000 0.858 280 L N 3.344 124.580 121.223 0.023 0.000 2.433 280 L HA 0.077 4.413 4.340 -0.008 0.000 0.275 280 L C 1.726 178.553 176.870 -0.071 0.000 1.128 280 L CA 0.287 55.040 54.840 -0.144 0.000 0.875 280 L CB -0.146 41.730 42.059 -0.305 0.000 1.171 280 L HN 0.427 nan 8.230 nan 0.000 0.463 281 Q N 1.021 120.790 119.800 -0.052 0.000 2.511 281 Q HA 0.020 4.356 4.340 -0.008 0.000 0.236 281 Q C 1.926 177.899 176.000 -0.045 0.000 0.893 281 Q CA 0.273 56.058 55.803 -0.030 0.000 0.947 281 Q CB 0.445 29.187 28.738 0.007 0.000 1.110 281 Q HN 0.707 nan 8.270 nan 0.000 0.591 282 S N 1.042 116.720 115.700 -0.037 0.000 2.399 282 S HA -0.105 4.360 4.470 -0.008 0.000 0.231 282 S C 1.955 176.565 174.600 0.016 0.000 1.022 282 S CA 0.807 59.017 58.200 0.016 0.000 0.983 282 S CB -0.111 63.119 63.200 0.051 0.000 0.803 282 S HN 0.191 nan 8.310 nan 0.000 0.480 283 V N 2.174 122.061 119.914 -0.044 0.000 2.626 283 V HA -0.064 4.052 4.120 -0.008 0.000 0.252 283 V C 1.680 177.735 176.094 -0.065 0.000 1.067 283 V CA 1.298 63.570 62.300 -0.047 0.000 1.081 283 V CB -0.473 31.288 31.823 -0.104 0.000 0.686 283 V HN 0.486 nan 8.190 nan 0.000 0.468 284 L N -0.202 120.969 121.223 -0.086 0.000 2.201 284 L HA -0.151 4.184 4.340 -0.008 0.000 0.212 284 L C 2.459 179.241 176.870 -0.146 0.000 1.105 284 L CA 2.051 56.833 54.840 -0.097 0.000 0.775 284 L CB -0.572 41.436 42.059 -0.085 0.000 0.913 284 L HN 0.348 nan 8.230 nan 0.000 0.440 285 K N -0.121 120.138 120.400 -0.235 0.000 2.202 285 K HA -0.035 4.280 4.320 -0.008 0.000 0.201 285 K C 0.069 176.327 176.600 -0.569 0.000 1.051 285 K CA 0.341 56.354 56.287 -0.458 0.000 0.977 285 K CB 0.288 32.383 32.500 -0.676 0.000 0.792 285 K HN 0.131 nan 8.250 nan 0.000 0.469 286 Y N 1.661 121.922 120.300 -0.065 0.000 2.944 286 Y HA 0.225 4.772 4.550 -0.006 0.000 0.335 286 Y C 0.221 176.080 175.900 -0.067 0.000 1.075 286 Y CA -1.088 56.974 58.100 -0.063 0.000 1.240 286 Y CB 0.853 39.273 38.460 -0.068 0.000 1.167 286 Y HN 0.075 nan 8.280 nan 0.000 0.555 287 N N 0.497 119.215 118.700 0.029 0.000 2.331 287 N HA -0.061 4.674 4.740 -0.008 0.000 0.180 287 N C 0.603 176.101 175.510 -0.021 0.000 1.019 287 N CA 1.034 54.080 53.050 -0.007 0.000 0.881 287 N CB 0.183 38.660 38.487 -0.017 0.000 0.972 287 N HN 0.554 nan 8.380 nan 0.000 0.435 288 T N -3.448 111.104 114.554 -0.002 0.000 2.901 288 T HA 0.484 4.829 4.350 -0.008 0.000 0.293 288 T C 1.331 176.011 174.700 -0.034 0.000 1.084 288 T CA -0.765 61.312 62.100 -0.038 0.000 1.008 288 T CB 1.142 69.989 68.868 -0.036 0.000 1.170 288 T HN -0.157 nan 8.240 nan 0.000 0.509 289 I N 0.426 120.955 120.570 -0.068 0.000 2.151 289 I HA -0.181 3.985 4.170 -0.008 0.000 0.243 289 I C 2.761 178.852 176.117 -0.042 0.000 1.080 289 I CA 1.899 63.154 61.300 -0.074 0.000 1.339 289 I CB -0.266 37.673 38.000 -0.101 0.000 1.039 289 I HN 0.801 nan 8.210 nan 0.000 0.409 290 E N 1.044 121.225 120.200 -0.032 0.000 2.110 290 E HA -0.207 4.138 4.350 -0.008 0.000 0.193 290 E C 2.208 178.818 176.600 0.018 0.000 0.988 290 E CA 1.791 58.184 56.400 -0.012 0.000 0.804 290 E CB -0.232 29.459 29.700 -0.014 0.000 0.745 290 E HN 0.534 nan 8.360 nan 0.000 0.458 291 S N -0.393 115.333 115.700 0.042 0.000 2.423 291 S HA -0.154 4.312 4.470 -0.008 0.000 0.231 291 S C 1.835 176.494 174.600 0.098 0.000 1.014 291 S CA 0.774 59.043 58.200 0.115 0.000 0.965 291 S CB -0.255 63.055 63.200 0.184 0.000 0.785 291 S HN 0.209 nan 8.310 nan 0.000 0.495 292 Q N 0.869 120.689 119.800 0.032 0.000 2.123 292 Q HA 0.045 4.381 4.340 -0.008 0.000 0.199 292 Q C 2.540 178.585 176.000 0.076 0.000 0.966 292 Q CA 1.239 57.043 55.803 0.002 0.000 0.845 292 Q CB -0.690 28.047 28.738 -0.001 0.000 0.907 292 Q HN 0.562 nan 8.270 nan 0.000 0.439 293 V N 1.590 121.524 119.914 0.034 0.000 2.287 293 V HA -0.289 3.826 4.120 -0.008 0.000 0.248 293 V C 2.395 178.524 176.094 0.058 0.000 1.053 293 V CA 1.874 64.197 62.300 0.038 0.000 1.027 293 V CB -0.624 31.203 31.823 0.006 0.000 0.646 293 V HN 0.383 nan 8.190 nan 0.000 0.447 294 Q N -0.426 119.399 119.800 0.042 0.000 2.084 294 Q HA -0.248 4.087 4.340 -0.008 0.000 0.202 294 Q C 2.513 178.527 176.000 0.022 0.000 0.978 294 Q CA 1.814 57.640 55.803 0.037 0.000 0.844 294 Q CB -0.310 28.458 28.738 0.050 0.000 0.898 294 Q HN 0.560 nan 8.270 nan 0.000 0.426 295 R N 0.194 120.682 120.500 -0.021 0.000 2.080 295 R HA -0.173 4.162 4.340 -0.008 0.000 0.236 295 R C 1.985 178.148 176.300 -0.228 0.000 1.137 295 R CA 1.590 57.571 56.100 -0.198 0.000 0.943 295 R CB -0.261 29.654 30.300 -0.641 0.000 0.846 295 R HN 0.172 nan 8.270 nan 0.000 0.431 296 F N 1.114 120.963 119.950 -0.167 0.000 2.186 296 F HA -0.049 4.473 4.527 -0.008 0.000 0.299 296 F C 2.133 177.946 175.800 0.022 0.000 1.090 296 F CA 1.631 59.575 58.000 -0.093 0.000 1.307 296 F CB -0.415 38.509 39.000 -0.128 0.000 1.019 296 F HN 0.217 nan 8.300 nan 0.000 0.489 297 N N 0.150 118.940 118.700 0.150 0.000 2.061 297 N HA -0.266 4.469 4.740 -0.008 0.000 0.193 297 N C 1.947 177.469 175.510 0.020 0.000 1.030 297 N CA 1.349 54.438 53.050 0.065 0.000 0.856 297 N CB -0.243 38.259 38.487 0.024 0.000 1.023 297 N HN 0.220 nan 8.380 nan 0.000 0.424 298 K N 1.372 121.771 120.400 -0.003 0.000 2.211 298 K HA -0.072 4.244 4.320 -0.008 0.000 0.203 298 K C 1.266 177.841 176.600 -0.040 0.000 1.050 298 K CA 0.865 57.137 56.287 -0.024 0.000 0.945 298 K CB 0.070 32.556 32.500 -0.024 0.000 0.732 298 K HN 0.204 nan 8.250 nan 0.000 0.451 299 L N -0.284 120.908 121.223 -0.051 0.000 2.653 299 L HA 0.230 4.566 4.340 -0.008 0.000 0.231 299 L C 0.899 177.758 176.870 -0.018 0.000 1.153 299 L CA 0.332 55.134 54.840 -0.064 0.000 0.933 299 L CB 0.644 42.595 42.059 -0.179 0.000 1.175 299 L HN 0.534 nan 8.230 nan 0.000 0.473 300 G N -0.474 108.313 108.800 -0.022 0.000 2.184 300 G HA2 -0.258 3.697 3.960 -0.008 0.000 0.206 300 G HA3 -0.258 3.697 3.960 -0.008 0.000 0.206 300 G C -0.030 174.741 174.900 -0.214 0.000 0.995 300 G CA -0.665 44.356 45.100 -0.131 0.000 0.651 300 G HN 0.160 nan 8.290 nan 0.000 0.511 301 F N 1.465 121.438 119.950 0.040 0.000 2.313 301 F HA 0.643 5.165 4.527 -0.008 0.000 0.369 301 F C 1.356 177.145 175.800 -0.018 0.000 1.109 301 F CA 0.078 58.133 58.000 0.092 0.000 1.132 301 F CB 1.622 40.765 39.000 0.239 0.000 1.291 301 F HN 0.130 nan 8.300 nan 0.000 0.496 302 A N 3.271 126.029 122.820 -0.104 0.000 2.123 302 A HA 0.060 4.375 4.320 -0.008 0.000 0.214 302 A C -0.212 177.001 177.584 -0.618 0.000 1.152 302 A CA 0.641 52.381 52.037 -0.495 0.000 0.728 302 A CB -0.434 18.036 19.000 -0.884 0.000 0.814 302 A HN 0.619 nan 8.150 nan 0.000 0.464 303 Y N -0.684 119.735 120.300 0.198 0.000 2.338 303 Y HA 0.571 5.117 4.550 -0.006 0.000 0.328 303 Y C -0.513 175.572 175.900 0.309 0.000 0.965 303 Y CA -0.970 57.277 58.100 0.246 0.000 1.208 303 Y CB 1.497 40.067 38.460 0.184 0.000 1.132 303 Y HN -0.139 nan 8.280 nan 0.000 0.469 304 V N 2.844 122.901 119.914 0.238 0.000 2.709 304 V HA 0.452 4.567 4.120 -0.008 0.000 0.308 304 V C -1.072 174.808 176.094 -0.356 0.000 1.062 304 V CA -0.971 61.298 62.300 -0.051 0.000 0.901 304 V CB 2.276 34.068 31.823 -0.051 0.000 1.003 304 V HN 0.719 nan 8.190 nan 0.000 0.425 305 N N 2.610 120.947 118.700 -0.604 0.000 2.504 305 N HA 0.644 5.379 4.740 -0.008 0.000 0.280 305 N C -1.638 173.816 175.510 -0.093 0.000 1.052 305 N CA -0.270 52.437 53.050 -0.572 0.000 0.887 305 N CB 1.909 39.637 38.487 -1.265 0.000 1.323 305 N HN 0.563 nan 8.380 nan 0.000 0.509 306 V N 2.224 122.169 119.914 0.051 0.000 2.841 306 V HA 1.015 5.130 4.120 -0.008 0.000 0.310 306 V C -0.384 175.573 176.094 -0.229 0.000 1.090 306 V CA -0.045 62.235 62.300 -0.032 0.000 0.930 306 V CB 1.429 33.183 31.823 -0.116 0.000 1.014 306 V HN 0.762 nan 8.190 nan 0.000 0.425 307 G N 3.989 112.367 108.800 -0.702 0.000 2.646 307 G HA2 0.566 4.521 3.960 -0.008 0.000 0.291 307 G HA3 0.566 4.521 3.960 -0.008 0.000 0.291 307 G C -1.697 172.785 174.900 -0.696 0.000 1.445 307 G CA -0.128 44.377 45.100 -0.991 0.000 0.814 307 G HN 0.983 nan 8.290 nan 0.000 0.495 308 D N -0.577 119.574 120.400 -0.415 0.000 2.466 308 D HA 0.342 4.977 4.640 -0.008 0.000 0.262 308 D C 1.637 177.817 176.300 -0.199 0.000 1.177 308 D CA -0.835 53.016 54.000 -0.248 0.000 1.035 308 D CB 0.581 41.302 40.800 -0.131 0.000 1.105 308 D HN 0.161 nan 8.370 nan 0.000 0.551 309 M N -0.634 118.869 119.600 -0.161 0.000 2.374 309 M HA -0.005 4.471 4.480 -0.008 0.000 0.264 309 M C 1.627 177.936 176.300 0.016 0.000 1.067 309 M CA 0.833 56.084 55.300 -0.081 0.000 1.103 309 M CB -0.975 31.497 32.600 -0.214 0.000 1.402 309 M HN 0.457 nan 8.290 nan 0.000 0.444 310 F N 1.413 121.260 119.950 -0.172 0.000 2.259 310 F HA -0.141 4.382 4.527 -0.007 0.000 0.298 310 F C 2.378 178.281 175.800 0.172 0.000 1.088 310 F CA 1.395 59.374 58.000 -0.035 0.000 1.358 310 F CB -0.114 38.764 39.000 -0.204 0.000 1.040 310 F HN 0.215 nan 8.300 nan 0.000 0.505 311 Q N -0.449 119.452 119.800 0.168 0.000 2.170 311 Q HA -0.209 4.126 4.340 -0.008 0.000 0.203 311 Q C 2.136 178.320 176.000 0.308 0.000 0.976 311 Q CA 1.540 57.457 55.803 0.190 0.000 0.858 311 Q CB -0.387 28.396 28.738 0.076 0.000 0.907 311 Q HN 0.412 nan 8.270 nan 0.000 0.433 312 L N 0.372 121.788 121.223 0.321 0.000 2.056 312 L HA -0.160 4.175 4.340 -0.008 0.000 0.207 312 L C 1.921 179.002 176.870 0.352 0.000 1.078 312 L CA 1.669 56.802 54.840 0.488 0.000 0.749 312 L CB -0.695 41.640 42.059 0.461 0.000 0.901 312 L HN 0.441 nan 8.230 nan 0.000 0.433 313 W N 0.963 122.287 121.300 0.040 0.000 2.335 313 W HA -0.250 4.405 4.660 -0.008 0.000 0.311 313 W C 2.013 178.442 176.519 -0.150 0.000 1.213 313 W CA 2.137 59.432 57.345 -0.083 0.000 1.274 313 W CB -0.215 29.073 29.460 -0.286 0.000 1.148 313 W HN 0.322 nan 8.180 nan 0.000 0.498 314 E N 0.190 120.313 120.200 -0.128 0.000 2.160 314 E HA -0.221 4.125 4.350 -0.008 0.000 0.195 314 E C 2.306 178.854 176.600 -0.087 0.000 0.991 314 E CA 2.024 58.359 56.400 -0.109 0.000 0.810 314 E CB -0.324 29.411 29.700 0.058 0.000 0.742 314 E HN 0.238 nan 8.360 nan 0.000 0.466 315 S N 0.549 116.254 115.700 0.009 0.000 2.489 315 S HA 0.115 4.581 4.470 -0.008 0.000 0.228 315 S C 1.041 175.620 174.600 -0.036 0.000 0.995 315 S CA 0.103 58.316 58.200 0.021 0.000 0.934 315 S CB 0.027 63.286 63.200 0.098 0.000 0.771 315 S HN 0.212 nan 8.310 nan 0.000 0.522 316 A N 2.655 125.399 122.820 -0.127 0.000 2.445 316 A HA 0.417 4.733 4.320 -0.008 0.000 0.242 316 A C 0.288 177.731 177.584 -0.235 0.000 1.075 316 A CA -0.156 51.753 52.037 -0.213 0.000 0.777 316 A CB -0.174 18.546 19.000 -0.467 0.000 1.013 316 A HN 0.685 nan 8.150 nan 0.000 0.493 317 D N 0.952 121.249 120.400 -0.173 0.000 2.377 317 D HA 0.129 4.764 4.640 -0.008 0.000 0.245 317 D C 0.713 176.897 176.300 -0.194 0.000 1.196 317 D CA -0.131 53.779 54.000 -0.150 0.000 0.962 317 D CB 0.380 41.122 40.800 -0.096 0.000 1.127 317 D HN 0.603 nan 8.370 nan 0.000 0.471 318 E N -0.057 120.053 120.200 -0.150 0.000 2.085 318 E HA -0.234 4.112 4.350 -0.008 0.000 0.194 318 E C 2.019 178.527 176.600 -0.153 0.000 0.994 318 E CA 1.375 57.687 56.400 -0.147 0.000 0.801 318 E CB -0.222 29.418 29.700 -0.101 0.000 0.743 318 E HN 0.621 nan 8.360 nan 0.000 0.453 319 A N 0.672 123.413 122.820 -0.130 0.000 1.933 319 A HA -0.180 4.135 4.320 -0.008 0.000 0.218 319 A C 2.347 179.827 177.584 -0.173 0.000 1.175 319 A CA 1.867 53.829 52.037 -0.126 0.000 0.628 319 A CB -0.723 18.221 19.000 -0.093 0.000 0.814 319 A HN 0.175 nan 8.150 nan 0.000 0.444 320 T N -0.272 114.156 114.554 -0.210 0.000 2.737 320 T HA -0.100 4.246 4.350 -0.008 0.000 0.265 320 T C 1.967 176.426 174.700 -0.402 0.000 1.038 320 T CA 1.674 63.598 62.100 -0.293 0.000 1.144 320 T CB -0.176 68.519 68.868 -0.287 0.000 0.866 320 T HN 0.527 nan 8.240 nan 0.000 0.434 321 K N 0.995 121.134 120.400 -0.435 0.000 2.074 321 K HA -0.093 4.223 4.320 -0.008 0.000 0.209 321 K C 2.424 178.866 176.600 -0.263 0.000 1.048 321 K CA 1.294 57.291 56.287 -0.484 0.000 0.926 321 K CB -0.057 32.175 32.500 -0.447 0.000 0.713 321 K HN 0.231 nan 8.250 nan 0.000 0.444 322 K N 0.768 121.046 120.400 -0.204 0.000 2.032 322 K HA -0.211 4.104 4.320 -0.008 0.000 0.209 322 K C 2.121 178.624 176.600 -0.162 0.000 1.048 322 K CA 1.964 58.166 56.287 -0.142 0.000 0.927 322 K CB -0.059 32.372 32.500 -0.115 0.000 0.712 322 K HN 0.401 nan 8.250 nan 0.000 0.441 323 E N 0.858 120.933 120.200 -0.208 0.000 2.208 323 E HA -0.127 4.218 4.350 -0.008 0.000 0.193 323 E C 2.013 178.434 176.600 -0.299 0.000 0.988 323 E CA 0.580 56.843 56.400 -0.228 0.000 0.828 323 E CB -0.304 29.263 29.700 -0.222 0.000 0.763 323 E HN 0.195 nan 8.360 nan 0.000 0.478 324 L N 0.268 121.284 121.223 -0.346 0.000 2.093 324 L HA -0.158 4.178 4.340 -0.008 0.000 0.208 324 L C 2.263 178.991 176.870 -0.237 0.000 1.085 324 L CA 0.522 55.148 54.840 -0.356 0.000 0.755 324 L CB -0.234 41.635 42.059 -0.317 0.000 0.904 324 L HN 0.178 nan 8.230 nan 0.000 0.435 325 L N -0.270 120.865 121.223 -0.145 0.000 2.131 325 L HA -0.198 4.137 4.340 -0.008 0.000 0.210 325 L C 2.318 179.112 176.870 -0.127 0.000 1.092 325 L CA 1.711 56.483 54.840 -0.113 0.000 0.759 325 L CB -0.636 41.395 42.059 -0.045 0.000 0.903 325 L HN 0.142 nan 8.230 nan 0.000 0.435 326 K N -1.517 118.790 120.400 -0.155 0.000 2.365 326 K HA 0.029 4.345 4.320 -0.008 0.000 0.197 326 K C 1.997 178.478 176.600 -0.200 0.000 1.042 326 K CA 0.205 56.406 56.287 -0.142 0.000 0.987 326 K CB 0.153 32.578 32.500 -0.125 0.000 0.779 326 K HN 0.091 nan 8.250 nan 0.000 0.484 327 V N 1.966 121.692 119.914 -0.312 0.000 2.332 327 V HA -0.230 3.885 4.120 -0.008 0.000 0.248 327 V C 0.872 176.757 176.094 -0.349 0.000 1.055 327 V CA 1.653 63.692 62.300 -0.436 0.000 1.038 327 V CB -0.462 30.837 31.823 -0.874 0.000 0.651 327 V HN 0.505 nan 8.190 nan 0.000 0.450 328 E N -1.402 118.638 120.200 -0.268 0.000 2.407 328 E HA 0.418 4.763 4.350 -0.008 0.000 0.279 328 E C -3.195 173.359 176.600 -0.076 0.000 1.012 328 E CA -2.088 54.216 56.400 -0.160 0.000 0.800 328 E CB 1.412 31.050 29.700 -0.103 0.000 1.276 328 E HN -0.033 nan 8.360 nan 0.000 0.452 329 P HA 0.164 nan 4.420 nan 0.000 0.268 329 P C -1.513 175.838 177.300 0.085 0.000 1.204 329 P CA 0.167 63.259 63.100 -0.013 0.000 0.768 329 P CB 0.082 31.714 31.700 -0.112 0.000 0.842 330 F N 2.480 122.403 119.950 -0.045 0.000 2.588 330 F HA 0.389 4.912 4.527 -0.008 0.000 0.318 330 F C -0.821 174.964 175.800 -0.025 0.000 1.155 330 F CA -0.530 57.431 58.000 -0.065 0.000 0.967 330 F CB 2.052 40.983 39.000 -0.115 0.000 1.236 330 F HN 0.180 nan 8.300 nan 0.000 0.455 331 D N 4.008 124.085 120.400 -0.538 0.000 3.078 331 D HA 0.172 4.807 4.640 -0.008 0.000 0.363 331 D C -0.911 175.076 176.300 -0.521 0.000 1.391 331 D CA 0.137 53.945 54.000 -0.320 0.000 0.754 331 D CB 0.306 41.051 40.800 -0.092 0.000 1.238 331 D HN 0.669 nan 8.370 nan 0.000 0.500 332 E N 0.710 120.293 120.200 -1.029 0.000 3.388 332 E HA 0.101 4.447 4.350 -0.008 0.000 0.214 332 E C 1.018 177.478 176.600 -0.233 0.000 1.040 332 E CA -0.193 55.859 56.400 -0.580 0.000 1.327 332 E CB 0.944 30.290 29.700 -0.590 0.000 1.243 332 E HN 0.194 nan 8.360 nan 0.000 0.444 333 L N 0.865 122.069 121.223 -0.033 0.000 2.093 333 L HA -0.145 4.190 4.340 -0.008 0.000 0.208 333 L C 1.677 178.463 176.870 -0.139 0.000 1.085 333 L CA 2.001 56.816 54.840 -0.041 0.000 0.755 333 L CB 0.072 41.859 42.059 -0.452 0.000 0.904 333 L HN 0.140 nan 8.230 nan 0.000 0.435 334 E N -0.345 119.947 120.200 0.154 0.000 2.058 334 E HA -0.215 4.130 4.350 -0.008 0.000 0.194 334 E C 2.093 178.838 176.600 0.241 0.000 0.997 334 E CA 1.653 58.221 56.400 0.279 0.000 0.801 334 E CB -0.222 29.737 29.700 0.431 0.000 0.746 334 E HN 0.519 nan 8.360 nan 0.000 0.450 335 E N -0.136 120.208 120.200 0.240 0.000 2.077 335 E HA -0.193 4.153 4.350 -0.008 0.000 0.193 335 E C 2.016 178.806 176.600 0.317 0.000 0.989 335 E CA 0.823 57.393 56.400 0.283 0.000 0.800 335 E CB -0.277 29.566 29.700 0.237 0.000 0.746 335 E HN 0.255 nan 8.360 nan 0.000 0.452 336 F N 1.843 121.878 119.950 0.142 0.000 2.146 336 F HA -0.158 4.365 4.527 -0.006 0.000 0.298 336 F C 2.313 178.190 175.800 0.129 0.000 1.096 336 F CA 1.386 59.502 58.000 0.194 0.000 1.275 336 F CB -0.180 38.950 39.000 0.217 0.000 1.008 336 F HN 0.017 nan 8.300 nan 0.000 0.480 337 H N 0.365 119.405 119.070 -0.050 0.000 2.319 337 H HA -0.130 4.422 4.556 -0.007 0.000 0.299 337 H C 2.499 177.622 175.328 -0.341 0.000 1.092 337 H CA 1.995 57.820 56.048 -0.372 0.000 1.302 337 H CB -0.896 28.747 29.762 -0.199 0.000 1.373 337 H HN 0.292 nan 8.280 nan 0.000 0.497 338 L N -0.461 120.774 121.223 0.019 0.000 2.017 338 L HA -0.184 4.152 4.340 -0.008 0.000 0.208 338 L C 2.534 179.098 176.870 -0.510 0.000 1.073 338 L CA 1.367 56.141 54.840 -0.110 0.000 0.745 338 L CB -0.588 41.459 42.059 -0.021 0.000 0.894 338 L HN 0.152 nan 8.230 nan 0.000 0.432 339 F N 0.242 119.796 119.950 -0.660 0.000 2.095 339 F HA -0.285 4.238 4.527 -0.006 0.000 0.298 339 F C 2.508 178.071 175.800 -0.394 0.000 1.104 339 F CA 1.573 59.176 58.000 -0.661 0.000 1.232 339 F CB -0.768 37.916 39.000 -0.527 0.000 0.987 339 F HN 0.033 nan 8.300 nan 0.000 0.475 340 C N 0.636 119.424 119.300 -0.852 0.000 2.425 340 C HA -0.185 4.270 4.460 -0.008 0.000 0.277 340 C C 2.653 177.272 174.990 -0.619 0.000 1.280 340 C CA 1.185 59.653 59.018 -0.917 0.000 1.744 340 C CB -1.608 25.740 27.740 -0.653 0.000 1.989 340 C HN 0.541 nan 8.230 nan 0.000 0.491 341 H N -0.952 117.908 119.070 -0.351 0.000 2.546 341 H HA 0.005 4.557 4.556 -0.006 0.000 0.277 341 H C 1.514 176.587 175.328 -0.426 0.000 1.004 341 H CA 0.922 56.771 56.048 -0.332 0.000 1.231 341 H CB -0.422 29.149 29.762 -0.319 0.000 1.382 341 H HN 0.690 nan 8.280 nan 0.000 0.580 342 H N -1.199 117.711 119.070 -0.266 0.000 2.529 342 H HA 0.083 4.635 4.556 -0.007 0.000 0.277 342 H C -0.404 174.707 175.328 -0.361 0.000 1.004 342 H CA 0.132 56.050 56.048 -0.216 0.000 1.167 342 H CB 0.472 30.184 29.762 -0.083 0.000 1.445 342 H HN 0.219 nan 8.280 nan 0.000 0.554 343 Y N 0.213 120.324 120.300 -0.315 0.000 2.391 343 Y HA 0.307 4.853 4.550 -0.006 0.000 0.341 343 Y C -0.284 175.474 175.900 -0.236 0.000 0.965 343 Y CA -0.692 57.244 58.100 -0.273 0.000 1.067 343 Y CB 2.255 40.475 38.460 -0.401 0.000 1.199 343 Y HN -0.205 nan 8.280 nan 0.000 0.450 344 V N 5.421 125.301 119.914 -0.058 0.000 2.667 344 V HA 0.621 4.737 4.120 -0.008 0.000 0.308 344 V C -1.487 174.574 176.094 -0.054 0.000 1.048 344 V CA -0.828 61.413 62.300 -0.099 0.000 0.928 344 V CB 1.835 33.590 31.823 -0.112 0.000 1.004 344 V HN 0.603 nan 8.190 nan 0.000 0.444 345 L N 7.106 128.268 121.223 -0.101 0.000 2.319 345 L HA 0.668 5.004 4.340 -0.008 0.000 0.281 345 L C -0.813 176.038 176.870 -0.030 0.000 1.005 345 L CA 0.047 54.874 54.840 -0.021 0.000 0.828 345 L CB 1.026 43.125 42.059 0.067 0.000 1.227 345 L HN 0.805 nan 8.230 nan 0.000 0.415 346 C N 5.319 124.592 119.300 -0.045 0.000 2.322 346 C HA 0.597 5.052 4.460 -0.008 0.000 0.324 346 C C -1.004 173.915 174.990 -0.118 0.000 1.249 346 C CA -0.469 58.467 59.018 -0.138 0.000 1.453 346 C CB 0.039 27.610 27.740 -0.281 0.000 2.145 346 C HN 0.877 nan 8.230 nan 0.000 0.466 347 H N 4.215 123.181 119.070 -0.173 0.000 2.595 347 H HA 0.707 5.258 4.556 -0.008 0.000 0.313 347 H C -0.357 174.910 175.328 -0.102 0.000 1.023 347 H CA 0.108 56.105 56.048 -0.085 0.000 1.218 347 H CB 1.213 31.009 29.762 0.056 0.000 1.403 347 H HN 0.897 nan 8.280 nan 0.000 0.477 348 A N 3.897 126.759 122.820 0.070 0.000 2.337 348 A HA 0.676 4.992 4.320 -0.008 0.000 0.331 348 A C -0.320 177.403 177.584 0.232 0.000 1.137 348 A CA -0.555 51.473 52.037 -0.014 0.000 0.807 348 A CB 1.546 20.245 19.000 -0.502 0.000 1.250 348 A HN 0.675 nan 8.150 nan 0.000 0.468 349 T N -0.347 114.448 114.554 0.402 0.000 2.864 349 T HA 0.465 4.810 4.350 -0.008 0.000 0.299 349 T C -0.275 174.787 174.700 0.602 0.000 1.166 349 T CA -0.272 62.018 62.100 0.316 0.000 1.007 349 T CB 0.964 69.609 68.868 -0.372 0.000 1.219 349 T HN 0.833 nan 8.240 nan 0.000 0.506 350 N N 1.021 119.974 118.700 0.421 0.000 2.282 350 N HA 0.179 4.914 4.740 -0.008 0.000 0.240 350 N C -0.699 175.033 175.510 0.369 0.000 1.182 350 N CA -0.482 52.743 53.050 0.291 0.000 0.874 350 N CB -0.328 38.089 38.487 -0.117 0.000 1.126 350 N HN 0.700 nan 8.380 nan 0.000 0.516 351 Y N -2.758 117.541 120.300 -0.001 0.000 2.421 351 Y HA 0.512 5.058 4.550 -0.008 0.000 0.339 351 Y C 0.925 176.484 175.900 -0.569 0.000 0.996 351 Y CA -1.292 56.702 58.100 -0.177 0.000 1.046 351 Y CB 1.635 40.028 38.460 -0.113 0.000 1.226 351 Y HN -0.244 nan 8.280 nan 0.000 0.445 352 K N 1.394 121.434 120.400 -0.599 0.000 2.147 352 K HA -0.170 4.146 4.320 -0.008 0.000 0.205 352 K C 0.838 177.149 176.600 -0.482 0.000 1.049 352 K CA 2.175 57.985 56.287 -0.795 0.000 0.936 352 K CB 0.205 32.528 32.500 -0.295 0.000 0.722 352 K HN 0.895 nan 8.250 nan 0.000 0.446 353 E N -0.124 119.931 120.200 -0.241 0.000 2.204 353 E HA -0.113 4.233 4.350 -0.008 0.000 0.194 353 E C 0.145 176.597 176.600 -0.247 0.000 0.989 353 E CA 0.494 56.816 56.400 -0.130 0.000 0.824 353 E CB -0.163 29.591 29.700 0.090 0.000 0.756 353 E HN 0.196 nan 8.360 nan 0.000 0.477 354 F N 1.023 120.569 119.950 -0.673 0.000 2.504 354 F HA 0.284 4.806 4.527 -0.008 0.000 0.369 354 F C 0.043 175.454 175.800 -0.648 0.000 1.082 354 F CA -0.845 56.744 58.000 -0.685 0.000 1.216 354 F CB 0.379 38.764 39.000 -1.025 0.000 1.108 354 F HN -0.139 nan 8.300 nan 0.000 0.554 355 A N 7.115 129.246 122.820 -1.148 0.000 2.276 355 A HA 0.477 4.793 4.320 -0.008 0.000 0.316 355 A C -1.029 175.965 177.584 -0.983 0.000 1.229 355 A CA -0.597 50.947 52.037 -0.822 0.000 0.851 355 A CB -0.160 18.560 19.000 -0.467 0.000 1.165 355 A HN 0.708 nan 8.150 nan 0.000 0.513 356 F N 3.017 122.777 119.950 -0.316 0.000 2.494 356 F HA 0.199 4.722 4.527 -0.007 0.000 0.351 356 F C 1.689 177.449 175.800 -0.068 0.000 1.205 356 F CA 0.132 58.054 58.000 -0.131 0.000 1.125 356 F CB 0.356 39.339 39.000 -0.028 0.000 1.268 356 F HN 0.674 nan 8.300 nan 0.000 0.593 357 T N -0.599 114.036 114.554 0.134 0.000 2.766 357 T HA 0.025 4.370 4.350 -0.008 0.000 0.295 357 T C 1.289 176.057 174.700 0.114 0.000 1.024 357 T CA -0.842 61.325 62.100 0.112 0.000 1.018 357 T CB 0.907 69.859 68.868 0.141 0.000 1.002 357 T HN 0.490 nan 8.240 nan 0.000 0.532 358 Q N 0.926 120.736 119.800 0.018 0.000 2.096 358 Q HA -0.077 4.259 4.340 -0.008 0.000 0.204 358 Q C 2.601 178.539 176.000 -0.104 0.000 0.982 358 Q CA 2.108 57.894 55.803 -0.029 0.000 0.850 358 Q CB -1.258 27.457 28.738 -0.039 0.000 0.901 358 Q HN 0.998 nan 8.270 nan 0.000 0.422 359 G N -0.557 108.110 108.800 -0.221 0.000 2.462 359 G HA2 -0.191 3.765 3.960 -0.008 0.000 0.220 359 G HA3 -0.191 3.765 3.960 -0.008 0.000 0.220 359 G C 0.963 175.523 174.900 -0.567 0.000 1.121 359 G CA 0.490 45.323 45.100 -0.444 0.000 0.758 359 G HN 0.303 nan 8.290 nan 0.000 0.559 360 F N -0.846 119.046 119.950 -0.097 0.000 2.717 360 F HA 0.415 4.938 4.527 -0.008 0.000 0.295 360 F C 0.820 176.390 175.800 -0.383 0.000 1.117 360 F CA -0.856 57.031 58.000 -0.188 0.000 1.361 360 F CB 0.158 39.140 39.000 -0.030 0.000 1.112 360 F HN -0.076 nan 8.300 nan 0.000 0.594 361 L N 1.508 122.677 121.223 -0.089 0.000 2.477 361 L HA 0.168 4.504 4.340 -0.008 0.000 0.272 361 L C -0.567 176.178 176.870 -0.208 0.000 1.157 361 L CA -0.125 54.636 54.840 -0.131 0.000 0.889 361 L CB -0.433 41.628 42.059 0.003 0.000 1.158 361 L HN -0.099 nan 8.230 nan 0.000 0.473 362 F N 3.177 123.127 119.950 0.001 0.000 2.384 362 F HA 0.241 4.763 4.527 -0.007 0.000 0.338 362 F C 0.701 176.497 175.800 -0.007 0.000 1.103 362 F CA -0.591 57.410 58.000 0.002 0.000 1.157 362 F CB 0.875 39.866 39.000 -0.015 0.000 1.167 362 F HN 0.491 nan 8.300 nan 0.000 0.529 363 D N 2.360 122.885 120.400 0.208 0.000 2.283 363 D HA 0.501 5.136 4.640 -0.008 0.000 0.248 363 D C -0.407 175.948 176.300 0.091 0.000 1.072 363 D CA -0.167 53.902 54.000 0.114 0.000 0.929 363 D CB 0.904 41.756 40.800 0.087 0.000 1.182 363 D HN 0.643 nan 8.370 nan 0.000 0.433 370 N N 6.929 125.636 118.700 0.012 0.000 2.442 370 N HA 0.471 5.207 4.740 -0.008 0.000 0.265 370 N C -0.687 174.832 175.510 0.015 0.000 1.138 370 N CA 0.011 53.065 53.050 0.007 0.000 0.956 370 N CB 1.260 39.747 38.487 -0.001 0.000 1.067 370 N HN 0.449 nan 8.380 nan 0.000 0.474 371 L N 0.876 122.105 121.223 0.010 0.000 2.334 371 L HA 0.393 4.728 4.340 -0.008 0.000 0.275 371 L C 1.130 178.000 176.870 -0.000 0.000 1.036 371 L CA -0.997 53.847 54.840 0.006 0.000 0.807 371 L CB 1.362 43.423 42.059 0.003 0.000 1.231 371 L HN 0.487 nan 8.230 nan 0.000 0.438 372 T N -0.070 114.485 114.554 0.000 0.000 2.901 372 T HA 0.322 4.667 4.350 -0.008 0.000 0.301 372 T C 0.079 174.779 174.700 0.000 0.000 1.012 372 T CA -0.692 61.408 62.100 -0.000 0.000 1.135 372 T CB 0.874 69.743 68.868 0.002 0.000 0.936 372 T HN 0.216 nan 8.240 nan 0.000 0.539 373 V N 3.797 123.709 119.914 -0.002 0.000 2.740 373 V HA 0.117 4.233 4.120 -0.008 0.000 0.303 373 V C 0.965 177.063 176.094 0.007 0.000 1.054 373 V CA -0.302 61.998 62.300 -0.001 0.000 1.106 373 V CB 0.551 32.370 31.823 -0.007 0.000 0.957 373 V HN 1.038 nan 8.190 nan 0.000 0.486 374 D N 2.613 123.025 120.400 0.019 0.000 2.399 374 D HA 0.121 4.756 4.640 -0.008 0.000 0.241 374 D C 0.816 177.126 176.300 0.015 0.000 1.133 374 D CA 0.171 54.192 54.000 0.035 0.000 0.890 374 D CB 0.789 41.633 40.800 0.073 0.000 1.201 374 D HN 0.667 nan 8.370 nan 0.000 0.432 375 E N 0.901 121.101 120.200 0.000 0.000 2.526 375 E HA 0.034 4.379 4.350 -0.008 0.000 0.208 375 E C 0.030 176.578 176.600 -0.087 0.000 0.997 375 E CA 0.001 56.382 56.400 -0.033 0.000 0.961 375 E CB 0.645 30.327 29.700 -0.030 0.000 1.030 375 E HN 0.444 nan 8.360 nan 0.000 0.483 376 D N -0.620 119.707 120.400 -0.120 0.000 2.423 376 D HA 0.068 4.703 4.640 -0.008 0.000 0.212 376 D C -0.311 175.587 176.300 -0.671 0.000 1.060 376 D CA 0.636 54.405 54.000 -0.386 0.000 0.872 376 D CB 0.658 41.210 40.800 -0.413 0.000 1.012 376 D HN 0.045 nan 8.370 nan 0.000 0.503 377 Y N 0.462 120.759 120.300 -0.004 0.000 2.553 377 Y HA 0.364 4.909 4.550 -0.008 0.000 0.347 377 Y C -0.160 175.734 175.900 -0.010 0.000 1.019 377 Y CA -1.136 56.961 58.100 -0.006 0.000 1.032 377 Y CB 1.798 40.255 38.460 -0.006 0.000 1.284 377 Y HN -0.275 nan 8.280 nan 0.000 0.466 378 Q N 1.159 121.052 119.800 0.155 0.000 2.501 378 Q HA 0.689 5.024 4.340 -0.008 0.000 0.288 378 Q C -2.199 173.832 176.000 0.052 0.000 1.051 378 Q CA -1.239 54.608 55.803 0.074 0.000 0.788 378 Q CB 2.363 31.125 28.738 0.040 0.000 1.469 378 Q HN 0.444 nan 8.270 nan 0.000 0.416 379 L N 2.125 123.361 121.223 0.021 0.000 2.282 379 L HA 0.571 4.906 4.340 -0.008 0.000 0.288 379 L C -0.684 176.177 176.870 -0.014 0.000 1.033 379 L CA -0.400 54.438 54.840 -0.004 0.000 0.807 379 L CB 1.139 43.194 42.059 -0.007 0.000 1.209 379 L HN 0.702 nan 8.230 nan 0.000 0.423 380 L N 2.155 123.357 121.223 -0.035 0.000 2.333 380 L HA 0.471 4.807 4.340 -0.008 0.000 0.263 380 L C 0.162 176.978 176.870 -0.090 0.000 1.014 380 L CA -0.999 53.807 54.840 -0.056 0.000 0.820 380 L CB 2.425 44.454 42.059 -0.049 0.000 1.352 380 L HN 0.524 nan 8.230 nan 0.000 0.421 381 E N 0.256 120.378 120.200 -0.131 0.000 2.392 381 E HA 0.110 4.456 4.350 -0.008 0.000 0.264 381 E C -0.670 175.854 176.600 -0.126 0.000 1.024 381 E CA 0.050 56.349 56.400 -0.169 0.000 0.903 381 E CB 1.011 30.545 29.700 -0.277 0.000 0.963 381 E HN 0.386 nan 8.360 nan 0.000 0.432 382 C N 4.031 123.282 119.300 -0.081 0.000 3.355 382 C HA 0.051 4.507 4.460 -0.008 0.000 0.287 382 C C -0.424 174.564 174.990 -0.004 0.000 1.036 382 C CA -0.579 58.423 59.018 -0.026 0.000 1.246 382 C CB -0.874 26.908 27.740 0.070 0.000 1.754 382 C HN 0.896 nan 8.230 nan 0.000 0.592 383 E N 1.319 121.501 120.200 -0.031 0.000 2.529 383 E HA 0.156 4.501 4.350 -0.008 0.000 0.259 383 E C -0.274 176.317 176.600 -0.014 0.000 0.966 383 E CA 0.232 56.620 56.400 -0.020 0.000 0.937 383 E CB 0.563 30.253 29.700 -0.016 0.000 0.923 383 E HN 0.572 nan 8.360 nan 0.000 0.468 384 C N 6.193 125.482 119.300 -0.019 0.000 2.789 384 C HA 0.367 4.822 4.460 -0.008 0.000 0.324 384 C C -2.594 172.367 174.990 -0.048 0.000 1.042 384 C CA -1.703 57.292 59.018 -0.038 0.000 1.396 384 C CB 0.524 28.241 27.740 -0.039 0.000 1.870 384 C HN 0.664 nan 8.230 nan 0.000 0.470 385 P HA 0.201 nan 4.420 nan 0.000 0.212 385 P C 1.017 178.274 177.300 -0.072 0.000 1.816 385 P CA -0.040 63.033 63.100 -0.044 0.000 0.944 385 P CB -0.538 31.146 31.700 -0.026 0.000 1.896 386 I N -3.866 116.635 120.570 -0.116 0.000 2.676 386 I HA -0.051 4.114 4.170 -0.008 0.000 0.259 386 I C -0.162 175.864 176.117 -0.152 0.000 1.194 386 I CA 0.193 61.385 61.300 -0.180 0.000 1.473 386 I CB -0.947 36.842 38.000 -0.351 0.000 1.096 386 I HN -0.053 nan 8.210 nan 0.000 0.443 387 N N 3.561 122.198 118.700 -0.104 0.000 2.688 387 N HA -0.196 4.540 4.740 -0.008 0.000 0.258 387 N C -0.612 174.854 175.510 -0.073 0.000 1.016 387 N CA 1.271 54.282 53.050 -0.066 0.000 0.747 387 N CB -0.871 37.594 38.487 -0.038 0.000 0.895 387 N HN 0.794 nan 8.380 nan 0.000 0.543 388 R N -1.433 119.007 120.500 -0.100 0.000 2.692 388 R HA 0.599 4.935 4.340 -0.008 0.000 0.269 388 R C -0.970 175.331 176.300 0.002 0.000 1.030 388 R CA -1.126 54.947 56.100 -0.044 0.000 0.882 388 R CB 1.844 32.116 30.300 -0.047 0.000 1.250 388 R HN 0.184 nan 8.270 nan 0.000 0.465 389 K N 0.274 120.723 120.400 0.082 0.000 2.469 389 K HA 0.497 4.813 4.320 -0.008 0.000 0.254 389 K C -0.887 175.812 176.600 0.165 0.000 0.939 389 K CA -0.912 55.399 56.287 0.040 0.000 0.812 389 K CB 1.517 34.041 32.500 0.041 0.000 1.301 389 K HN 0.525 nan 8.250 nan 0.000 0.433 390 F N -0.249 119.732 119.950 0.052 0.000 3.057 390 F HA -0.252 4.270 4.527 -0.008 0.000 0.287 390 F C 0.744 176.486 175.800 -0.096 0.000 0.834 390 F CA 0.782 58.757 58.000 -0.043 0.000 1.147 390 F CB -1.491 37.488 39.000 -0.034 0.000 1.245 390 F HN 0.932 nan 8.300 nan 0.000 0.509 391 G N -0.847 107.993 108.800 0.066 0.000 2.606 391 G HA2 0.540 4.496 3.960 -0.008 0.000 0.262 391 G HA3 0.540 4.496 3.960 -0.008 0.000 0.262 391 G C -1.065 173.489 174.900 -0.576 0.000 1.394 391 G CA 0.399 45.380 45.100 -0.199 0.000 1.044 391 G HN 0.153 nan 8.290 nan 0.000 0.553 392 D N -2.998 116.929 120.400 -0.788 0.000 2.615 392 D HA 0.566 5.202 4.640 -0.008 0.000 0.267 392 D C -1.445 174.574 176.300 -0.469 0.000 1.236 392 D CA -0.245 53.447 54.000 -0.514 0.000 0.839 392 D CB 2.249 42.900 40.800 -0.249 0.000 1.380 392 D HN 0.542 nan 8.370 nan 0.000 0.433 393 V N 1.113 120.958 119.914 -0.115 0.000 2.969 393 V HA 0.670 4.786 4.120 -0.008 0.000 0.304 393 V C -1.980 174.202 176.094 0.147 0.000 1.192 393 V CA -0.407 61.942 62.300 0.082 0.000 0.962 393 V CB 2.170 34.062 31.823 0.115 0.000 1.045 393 V HN 0.643 nan 8.190 nan 0.000 0.428 394 D N 2.362 122.880 120.400 0.197 0.000 2.596 394 D HA 0.585 5.220 4.640 -0.008 0.000 0.262 394 D C -1.482 174.896 176.300 0.131 0.000 1.210 394 D CA -0.134 53.934 54.000 0.112 0.000 0.873 394 D CB 2.771 43.590 40.800 0.031 0.000 1.408 394 D HN 0.436 nan 8.370 nan 0.000 0.441 395 V N 0.950 120.918 119.914 0.090 0.000 2.370 395 V HA 0.730 4.845 4.120 -0.008 0.000 0.279 395 V C 0.002 176.155 176.094 0.098 0.000 1.029 395 V CA -0.619 61.729 62.300 0.080 0.000 0.870 395 V CB 1.016 32.870 31.823 0.053 0.000 0.984 395 V HN 0.647 nan 8.190 nan 0.000 0.451 396 A N 4.220 127.130 122.820 0.149 0.000 2.360 396 A HA 0.799 5.114 4.320 -0.008 0.000 0.309 396 A C 0.745 178.406 177.584 0.128 0.000 1.311 396 A CA 0.253 52.378 52.037 0.147 0.000 0.805 396 A CB 0.451 19.578 19.000 0.211 0.000 1.144 396 A HN 1.768 nan 8.150 nan 0.000 0.486 397 G N 2.427 111.273 108.800 0.076 0.000 2.543 397 G HA2 -0.316 3.639 3.960 -0.008 0.000 0.286 397 G HA3 -0.316 3.639 3.960 -0.008 0.000 0.286 397 G C 0.638 175.564 174.900 0.044 0.000 1.153 397 G CA 0.450 45.585 45.100 0.059 0.000 0.968 397 G HN 0.715 nan 8.290 nan 0.000 0.544 398 N N 2.476 121.198 118.700 0.036 0.000 2.280 398 N HA 0.173 4.908 4.740 -0.008 0.000 0.192 398 N C -0.420 175.073 175.510 -0.028 0.000 1.109 398 N CA 0.633 53.689 53.050 0.010 0.000 0.855 398 N CB 0.345 38.839 38.487 0.013 0.000 0.974 398 N HN 0.529 nan 8.380 nan 0.000 0.482 399 D N 0.315 120.696 120.400 -0.031 0.000 2.228 399 D HA 0.365 5.001 4.640 -0.008 0.000 0.247 399 D C -0.169 175.951 176.300 -0.299 0.000 0.995 399 D CA -0.377 53.507 54.000 -0.194 0.000 0.903 399 D CB 2.918 43.611 40.800 -0.178 0.000 1.205 399 D HN -0.314 nan 8.370 nan 0.000 0.459 400 V N 1.631 121.212 119.914 -0.554 0.000 2.531 400 V HA 0.456 4.571 4.120 -0.008 0.000 0.301 400 V C -0.942 174.805 176.094 -0.578 0.000 1.034 400 V CA -0.733 61.350 62.300 -0.361 0.000 0.865 400 V CB 1.207 32.925 31.823 -0.175 0.000 0.995 400 V HN 0.367 nan 8.190 nan 0.000 0.424 401 F N 3.840 123.880 119.950 0.150 0.000 2.518 401 F HA 0.540 5.062 4.527 -0.007 0.000 0.323 401 F C -0.579 175.408 175.800 0.313 0.000 1.129 401 F CA -0.651 57.483 58.000 0.222 0.000 0.920 401 F CB 1.676 40.837 39.000 0.268 0.000 1.160 401 F HN 0.468 nan 8.300 nan 0.000 0.440 402 Y N 5.194 125.657 120.300 0.272 0.000 2.360 402 Y HA 0.653 5.199 4.550 -0.008 0.000 0.337 402 Y C -0.691 175.227 175.900 0.030 0.000 1.039 402 Y CA -0.938 57.259 58.100 0.162 0.000 1.109 402 Y CB 1.232 39.734 38.460 0.071 0.000 1.201 402 Y HN 0.562 nan 8.280 nan 0.000 0.458 403 M N 6.016 125.460 119.600 -0.261 0.000 2.393 403 M HA 0.553 5.028 4.480 -0.008 0.000 0.299 403 M C 0.000 176.216 176.300 -0.140 0.000 1.103 403 M CA 0.405 55.483 55.300 -0.369 0.000 0.910 403 M CB 1.358 33.186 32.600 -1.287 0.000 1.659 403 M HN 0.946 nan 8.290 nan 0.000 0.445 404 G N 2.954 111.724 108.800 -0.051 0.000 2.598 404 G HA2 0.221 4.177 3.960 -0.008 0.000 0.244 404 G HA3 0.221 4.177 3.960 -0.008 0.000 0.244 404 G C 0.191 175.234 174.900 0.238 0.000 1.302 404 G CA 0.080 45.180 45.100 -0.000 0.000 0.903 404 G HN 2.209 nan 8.290 nan 0.000 0.575 405 G N -2.440 106.531 108.800 0.286 0.000 2.610 405 G HA2 0.476 4.431 3.960 -0.008 0.000 0.304 405 G HA3 0.476 4.431 3.960 -0.008 0.000 0.304 405 G C 0.123 175.120 174.900 0.162 0.000 1.309 405 G CA 0.921 46.178 45.100 0.263 0.000 0.906 405 G HN 2.920 nan 8.290 nan 0.000 0.521 406 S N -0.911 114.878 115.700 0.149 0.000 2.568 406 S HA 0.737 5.203 4.470 -0.008 0.000 0.293 406 S C 0.202 174.831 174.600 0.049 0.000 1.089 406 S CA 0.273 58.520 58.200 0.080 0.000 0.945 406 S CB 2.112 65.338 63.200 0.043 0.000 1.077 406 S HN 2.108 nan 8.310 nan 0.000 0.485 407 N N -0.424 118.284 118.700 0.014 0.000 2.305 407 N HA 0.277 5.012 4.740 -0.008 0.000 0.248 407 N C -2.348 173.130 175.510 -0.053 0.000 1.290 407 N CA -0.895 52.158 53.050 0.004 0.000 0.873 407 N CB -0.008 38.508 38.487 0.049 0.000 1.261 407 N HN 0.473 nan 8.380 nan 0.000 0.504 408 P HA 0.179 nan 4.420 nan 0.000 0.257 408 P C -0.734 176.319 177.300 -0.411 0.000 1.281 408 P CA -0.035 62.874 63.100 -0.317 0.000 0.826 408 P CB -0.292 31.166 31.700 -0.403 0.000 1.237 409 Y N 0.411 120.711 120.300 -0.001 0.000 2.320 409 Y HA 0.364 4.910 4.550 -0.007 0.000 0.324 409 Y C 1.453 177.345 175.900 -0.014 0.000 1.190 409 Y CA -0.956 57.135 58.100 -0.015 0.000 1.215 409 Y CB 0.823 39.270 38.460 -0.022 0.000 1.221 409 Y HN -0.326 nan 8.280 nan 0.000 0.486 410 R N 1.595 122.159 120.500 0.108 0.000 2.643 410 R HA 0.443 4.779 4.340 -0.008 0.000 0.270 410 R C -0.555 175.760 176.300 0.024 0.000 1.061 410 R CA -0.416 55.709 56.100 0.041 0.000 1.107 410 R CB 0.500 30.795 30.300 -0.008 0.000 0.999 410 R HN 0.592 nan 8.270 nan 0.000 0.460 411 V N -0.644 119.270 119.914 -0.001 0.000 3.160 411 V HA 0.420 4.535 4.120 -0.008 0.000 0.310 411 V C -0.353 175.677 176.094 -0.107 0.000 1.181 411 V CA -1.035 61.244 62.300 -0.036 0.000 1.047 411 V CB 2.347 34.170 31.823 -0.000 0.000 1.068 411 V HN 0.915 nan 8.190 nan 0.000 0.441 412 N N -1.117 117.492 118.700 -0.152 0.000 2.200 412 N HA 0.191 4.926 4.740 -0.008 0.000 0.224 412 N C -0.035 175.376 175.510 -0.165 0.000 1.179 412 N CA -0.422 52.477 53.050 -0.252 0.000 0.877 412 N CB -0.091 38.162 38.487 -0.390 0.000 1.072 412 N HN 0.857 nan 8.380 nan 0.000 0.519 413 E N 0.772 120.925 120.200 -0.079 0.000 2.392 413 E HA 0.157 4.502 4.350 -0.008 0.000 0.264 413 E C -0.189 176.396 176.600 -0.025 0.000 1.024 413 E CA 0.107 56.490 56.400 -0.030 0.000 0.903 413 E CB 1.274 30.974 29.700 -0.001 0.000 0.963 413 E HN 0.284 nan 8.360 nan 0.000 0.432 414 I N 3.771 124.321 120.570 -0.034 0.000 2.359 414 I HA 0.226 4.392 4.170 -0.008 0.000 0.294 414 I C -0.334 175.826 176.117 0.073 0.000 0.987 414 I CA -0.484 60.797 61.300 -0.032 0.000 1.225 414 I CB 0.631 38.497 38.000 -0.223 0.000 1.366 414 I HN 0.237 nan 8.210 nan 0.000 0.466 415 L N 6.096 127.412 121.223 0.156 0.000 2.341 415 L HA 0.453 4.788 4.340 -0.008 0.000 0.278 415 L C -0.263 176.720 176.870 0.188 0.000 1.005 415 L CA -0.593 54.330 54.840 0.137 0.000 0.818 415 L CB 1.781 43.885 42.059 0.075 0.000 1.259 415 L HN 0.580 nan 8.230 nan 0.000 0.418 416 Q N 3.524 123.403 119.800 0.131 0.000 2.274 416 Q HA 0.498 4.833 4.340 -0.008 0.000 0.256 416 Q C -1.341 174.601 176.000 -0.098 0.000 0.927 416 Q CA -0.522 55.261 55.803 -0.032 0.000 0.939 416 Q CB 1.136 29.864 28.738 -0.016 0.000 1.201 416 Q HN 0.551 nan 8.270 nan 0.000 0.426 417 L N 2.829 123.951 121.223 -0.168 0.000 2.289 417 L HA 0.423 4.759 4.340 -0.008 0.000 0.285 417 L C -0.350 176.394 176.870 -0.210 0.000 1.049 417 L CA -0.644 54.103 54.840 -0.155 0.000 0.804 417 L CB 1.709 43.694 42.059 -0.123 0.000 1.195 417 L HN 0.580 nan 8.230 nan 0.000 0.428 418 S N 4.302 119.871 115.700 -0.219 0.000 2.438 418 S HA 0.527 4.993 4.470 -0.008 0.000 0.316 418 S C -0.065 174.217 174.600 -0.529 0.000 1.084 418 S CA -0.484 57.530 58.200 -0.311 0.000 1.107 418 S CB 0.809 63.872 63.200 -0.228 0.000 0.981 418 S HN 0.356 nan 8.310 nan 0.000 0.466 419 I N 5.235 125.526 120.570 -0.466 0.000 2.371 419 I HA 0.306 4.472 4.170 -0.008 0.000 0.290 419 I C 0.178 176.024 176.117 -0.453 0.000 1.028 419 I CA -0.323 60.709 61.300 -0.448 0.000 1.345 419 I CB 0.443 38.247 38.000 -0.327 0.000 1.407 419 I HN 0.548 nan 8.210 nan 0.000 0.501 420 H N 4.687 123.745 119.070 -0.019 0.000 2.797 420 H HA 0.119 4.670 4.556 -0.008 0.000 0.362 420 H C 0.261 175.671 175.328 0.137 0.000 1.183 420 H CA -0.687 55.395 56.048 0.057 0.000 1.197 420 H CB 1.163 30.950 29.762 0.041 0.000 1.835 420 H HN 0.605 nan 8.280 nan 0.000 0.567 421 Y N 1.265 121.670 120.300 0.175 0.000 2.207 421 Y HA -0.255 4.290 4.550 -0.008 0.000 0.287 421 Y C 1.460 177.432 175.900 0.119 0.000 1.156 421 Y CA 2.027 60.203 58.100 0.127 0.000 1.182 421 Y CB 0.410 38.922 38.460 0.085 0.000 0.979 421 Y HN 0.630 nan 8.280 nan 0.000 0.521 422 D N -0.413 119.960 120.400 -0.044 0.000 2.423 422 D HA 0.066 4.702 4.640 -0.008 0.000 0.212 422 D C -0.054 176.216 176.300 -0.050 0.000 1.060 422 D CA 0.212 54.102 54.000 -0.182 0.000 0.872 422 D CB 0.129 40.846 40.800 -0.137 0.000 1.012 422 D HN 0.498 nan 8.370 nan 0.000 0.503 423 K N -0.479 119.946 120.400 0.041 0.000 2.548 423 K HA 0.599 4.914 4.320 -0.008 0.000 0.282 423 K C -1.479 175.125 176.600 0.007 0.000 1.006 423 K CA -0.930 55.376 56.287 0.032 0.000 0.892 423 K CB 1.500 34.028 32.500 0.047 0.000 1.499 423 K HN -0.141 nan 8.250 nan 0.000 0.433 424 I N 1.439 121.982 120.570 -0.045 0.000 2.433 424 I HA 0.288 4.454 4.170 -0.008 0.000 0.292 424 I C -0.943 175.128 176.117 -0.077 0.000 1.001 424 I CA -0.917 60.305 61.300 -0.130 0.000 1.119 424 I CB 1.899 39.796 38.000 -0.171 0.000 1.289 424 I HN 0.543 nan 8.210 nan 0.000 0.438 425 D N 6.596 126.938 120.400 -0.097 0.000 2.217 425 D HA 0.650 5.285 4.640 -0.008 0.000 0.248 425 D C -0.559 175.705 176.300 -0.060 0.000 1.008 425 D CA -0.248 53.734 54.000 -0.029 0.000 0.914 425 D CB 2.094 42.929 40.800 0.058 0.000 1.182 425 D HN 0.275 nan 8.370 nan 0.000 0.451 426 M N 0.728 120.308 119.600 -0.033 0.000 2.530 426 M HA 0.426 4.902 4.480 -0.008 0.000 0.307 426 M C -0.448 175.849 176.300 -0.006 0.000 1.161 426 M CA -0.631 54.650 55.300 -0.033 0.000 0.903 426 M CB 2.849 35.423 32.600 -0.044 0.000 1.711 426 M HN -0.146 nan 8.290 nan 0.000 0.451 427 K N 1.400 121.805 120.400 0.008 0.000 2.443 427 K HA 0.382 4.697 4.320 -0.008 0.000 0.252 427 K C -1.201 175.428 176.600 0.049 0.000 0.933 427 K CA -0.892 55.413 56.287 0.030 0.000 0.792 427 K CB 1.933 34.457 32.500 0.041 0.000 1.185 427 K HN 0.622 nan 8.250 nan 0.000 0.425 428 N N 3.181 121.908 118.700 0.044 0.000 2.483 428 N HA 0.052 4.787 4.740 -0.008 0.000 0.264 428 N C -0.599 174.955 175.510 0.072 0.000 1.197 428 N CA 0.264 53.344 53.050 0.051 0.000 0.927 428 N CB 0.569 39.077 38.487 0.035 0.000 1.065 428 N HN 0.443 nan 8.380 nan 0.000 0.461 429 I N 3.318 123.938 120.570 0.083 0.000 2.297 429 I HA 0.117 4.282 4.170 -0.008 0.000 0.291 429 I C 0.586 176.750 176.117 0.078 0.000 1.033 429 I CA -0.263 61.099 61.300 0.103 0.000 1.253 429 I CB 0.533 38.609 38.000 0.127 0.000 1.396 429 I HN 0.332 nan 8.210 nan 0.000 0.476 430 E N 5.115 125.369 120.200 0.090 0.000 2.324 430 E HA 0.192 4.537 4.350 -0.008 0.000 0.271 430 E C -0.205 176.472 176.600 0.128 0.000 1.028 430 E CA -0.236 56.218 56.400 0.090 0.000 0.890 430 E CB 1.568 31.312 29.700 0.074 0.000 1.004 430 E HN 0.480 nan 8.360 nan 0.000 0.431 431 V N 0.854 120.856 119.914 0.147 0.000 2.644 431 V HA 0.237 4.352 4.120 -0.008 0.000 0.295 431 V C 0.905 177.095 176.094 0.160 0.000 1.053 431 V CA -0.106 62.324 62.300 0.217 0.000 0.987 431 V CB 1.783 33.799 31.823 0.321 0.000 1.006 431 V HN 0.715 nan 8.190 nan 0.000 0.472 432 S N 1.174 116.958 115.700 0.141 0.000 2.556 432 S HA 0.185 4.650 4.470 -0.008 0.000 0.216 432 S C 0.766 175.430 174.600 0.107 0.000 0.970 432 S CA 0.210 58.467 58.200 0.094 0.000 0.912 432 S CB -0.483 62.748 63.200 0.051 0.000 0.790 432 S HN 1.304 nan 8.310 nan 0.000 0.504 433 S N 1.494 117.292 115.700 0.163 0.000 2.617 433 S HA 0.549 5.015 4.470 -0.008 0.000 0.283 433 S C 0.866 175.563 174.600 0.161 0.000 1.189 433 S CA -0.152 58.152 58.200 0.173 0.000 1.036 433 S CB 1.622 64.967 63.200 0.241 0.000 1.014 433 S HN 0.376 nan 8.310 nan 0.000 0.522 434 S N 0.072 115.848 115.700 0.127 0.000 2.486 434 S HA 0.139 4.605 4.470 -0.008 0.000 0.220 434 S C 0.173 174.829 174.600 0.093 0.000 1.011 434 S CA -0.240 58.016 58.200 0.093 0.000 0.921 434 S CB -0.420 62.822 63.200 0.069 0.000 0.785 434 S HN 0.798 nan 8.310 nan 0.000 0.517 435 E N 1.789 122.074 120.200 0.141 0.000 2.156 435 E HA 0.538 4.883 4.350 -0.008 0.000 0.279 435 E C -0.822 175.872 176.600 0.156 0.000 0.965 435 E CA -0.701 55.797 56.400 0.162 0.000 0.789 435 E CB 2.042 31.876 29.700 0.224 0.000 1.098 435 E HN 0.357 nan 8.360 nan 0.000 0.397 436 V N 0.241 120.085 119.914 -0.117 0.000 3.114 436 V HA 0.610 4.726 4.120 -0.008 0.000 0.308 436 V C -2.708 172.640 176.094 -1.244 0.000 1.168 436 V CA -2.682 59.221 62.300 -0.661 0.000 1.015 436 V CB 1.721 33.263 31.823 -0.468 0.000 1.050 436 V HN 0.477 nan 8.190 nan 0.000 0.433 437 P HA 0.122 nan 4.420 nan 0.000 0.268 437 P C 0.097 176.851 177.300 -0.910 0.000 1.205 437 P CA 0.285 62.272 63.100 -1.855 0.000 0.771 437 P CB 1.269 31.655 31.700 -2.190 0.000 0.858 438 V N 3.166 122.767 119.914 -0.522 0.000 2.788 438 V HA 0.118 4.233 4.120 -0.008 0.000 0.307 438 V C 0.763 176.645 176.094 -0.353 0.000 1.069 438 V CA 0.013 62.112 62.300 -0.334 0.000 1.173 438 V CB 0.169 31.878 31.823 -0.191 0.000 0.925 438 V HN 0.843 nan 8.190 nan 0.000 0.492 439 A N 7.854 130.512 122.820 -0.271 0.000 2.584 439 A HA 0.415 4.730 4.320 -0.008 0.000 0.239 439 A C 0.417 177.885 177.584 -0.192 0.000 1.043 439 A CA 0.786 52.690 52.037 -0.222 0.000 0.756 439 A CB -0.133 18.784 19.000 -0.138 0.000 0.963 439 A HN 1.134 nan 8.150 nan 0.000 0.511 440 R N 1.328 121.714 120.500 -0.189 0.000 2.728 440 R HA 0.768 5.103 4.340 -0.008 0.000 0.274 440 R C -0.928 175.379 176.300 0.012 0.000 1.030 440 R CA -0.756 55.267 56.100 -0.128 0.000 0.876 440 R CB 1.038 31.229 30.300 -0.183 0.000 1.259 440 R HN 0.965 nan 8.270 nan 0.000 0.468 441 M N -1.216 118.446 119.600 0.103 0.000 2.667 441 M HA 0.567 5.042 4.480 -0.008 0.000 0.286 441 M C -0.630 175.782 176.300 0.187 0.000 1.270 441 M CA -0.749 54.682 55.300 0.218 0.000 0.826 441 M CB 2.119 34.773 32.600 0.089 0.000 1.743 441 M HN 0.777 nan 8.290 nan 0.000 0.460 442 C N 1.205 120.555 119.300 0.082 0.000 4.432 442 C HA -0.128 4.328 4.460 -0.008 0.000 0.294 442 C C 0.536 175.559 174.990 0.056 0.000 1.398 442 C CA 1.138 60.185 59.018 0.048 0.000 1.988 442 C CB -3.664 24.148 27.740 0.120 0.000 1.251 442 C HN 1.056 nan 8.230 nan 0.000 0.791 443 H N 0.127 119.215 119.070 0.029 0.000 2.580 443 H HA 0.750 5.302 4.556 -0.007 0.000 0.324 443 H C 0.267 175.552 175.328 -0.072 0.000 1.436 443 H CA 0.352 56.441 56.048 0.067 0.000 1.464 443 H CB 0.721 30.534 29.762 0.085 0.000 1.752 443 H HN 0.464 nan 8.280 nan 0.000 0.726 444 T N -2.098 112.544 114.554 0.148 0.000 2.924 444 T HA 0.525 4.871 4.350 -0.008 0.000 0.291 444 T C -1.087 173.853 174.700 0.400 0.000 1.045 444 T CA -0.824 61.344 62.100 0.113 0.000 1.015 444 T CB 1.605 70.530 68.868 0.094 0.000 1.103 444 T HN 0.442 nan 8.240 nan 0.000 0.496 445 F N 1.338 121.350 119.950 0.104 0.000 2.671 445 F HA 0.581 5.103 4.527 -0.008 0.000 0.332 445 F C -0.887 174.969 175.800 0.093 0.000 1.189 445 F CA -0.498 57.588 58.000 0.144 0.000 0.988 445 F CB 1.771 40.846 39.000 0.126 0.000 1.258 445 F HN 0.822 nan 8.300 nan 0.000 0.471 446 T N 3.517 118.015 114.554 -0.095 0.000 2.881 446 T HA 0.341 4.687 4.350 -0.008 0.000 0.290 446 T C -0.363 174.245 174.700 -0.154 0.000 1.000 446 T CA -0.625 61.430 62.100 -0.075 0.000 0.978 446 T CB 1.581 70.462 68.868 0.021 0.000 0.997 446 T HN 0.429 nan 8.240 nan 0.000 0.443 447 T N 4.426 118.916 114.554 -0.108 0.000 2.888 447 T HA 0.460 4.805 4.350 -0.008 0.000 0.301 447 T C 0.515 175.188 174.700 -0.044 0.000 1.001 447 T CA -0.038 62.010 62.100 -0.086 0.000 1.147 447 T CB -0.398 68.454 68.868 -0.026 0.000 0.931 447 T HN 0.579 nan 8.240 nan 0.000 0.541 448 I N -1.198 119.345 120.570 -0.045 0.000 3.343 448 I HA 0.692 4.857 4.170 -0.008 0.000 0.315 448 I C -0.135 175.969 176.117 -0.020 0.000 1.153 448 I CA -1.439 59.851 61.300 -0.016 0.000 0.952 448 I CB 1.698 39.705 38.000 0.012 0.000 1.287 448 I HN 0.514 nan 8.210 nan 0.000 0.472 449 S N 1.248 116.940 115.700 -0.014 0.000 3.697 449 S HA -0.158 4.308 4.470 -0.008 0.000 0.388 449 S C 0.392 174.981 174.600 -0.018 0.000 0.941 449 S CA 0.943 59.132 58.200 -0.019 0.000 1.247 449 S CB -1.315 61.869 63.200 -0.027 0.000 0.904 449 S HN 0.842 nan 8.310 nan 0.000 0.518 450 R N 0.345 120.839 120.500 -0.009 0.000 3.416 450 R HA -0.239 4.097 4.340 -0.008 0.000 0.263 450 R C 0.206 176.506 176.300 -0.001 0.000 1.053 450 R CA 0.607 56.705 56.100 -0.003 0.000 0.705 450 R CB -2.008 28.289 30.300 -0.005 0.000 1.124 450 R HN 0.708 nan 8.270 nan 0.000 0.444 451 N N -1.295 117.405 118.700 0.000 0.000 2.782 451 N HA -0.193 4.542 4.740 -0.008 0.000 0.251 451 N C -0.060 175.449 175.510 -0.001 0.000 1.101 451 N CA 1.386 54.442 53.050 0.009 0.000 0.764 451 N CB -0.846 37.658 38.487 0.028 0.000 1.122 451 N HN 0.536 nan 8.380 nan 0.000 0.561 452 N N 0.310 118.993 118.700 -0.029 0.000 2.250 452 N HA 0.084 4.819 4.740 -0.008 0.000 0.190 452 N C 0.163 175.609 175.510 -0.107 0.000 1.116 452 N CA 0.488 53.504 53.050 -0.057 0.000 0.881 452 N CB 0.709 39.163 38.487 -0.055 0.000 1.006 452 N HN 0.509 nan 8.380 nan 0.000 0.491 453 Q N -0.027 119.713 119.800 -0.099 0.000 2.544 453 Q HA 0.596 4.931 4.340 -0.008 0.000 0.291 453 Q C -1.210 174.705 176.000 -0.142 0.000 1.068 453 Q CA -0.669 55.056 55.803 -0.131 0.000 0.785 453 Q CB 2.699 31.381 28.738 -0.092 0.000 1.481 453 Q HN -0.049 nan 8.270 nan 0.000 0.430 454 L N 1.444 122.563 121.223 -0.174 0.000 2.408 454 L HA 0.523 4.858 4.340 -0.008 0.000 0.268 454 L C -1.384 175.392 176.870 -0.157 0.000 0.986 454 L CA -0.793 53.836 54.840 -0.351 0.000 0.820 454 L CB 1.921 43.488 42.059 -0.820 0.000 1.303 454 L HN 0.387 nan 8.230 nan 0.000 0.411 455 L N 3.894 125.049 121.223 -0.113 0.000 2.296 455 L HA 0.588 4.924 4.340 -0.008 0.000 0.286 455 L C -1.071 175.974 176.870 0.290 0.000 1.023 455 L CA -0.342 54.569 54.840 0.117 0.000 0.812 455 L CB 1.471 43.579 42.059 0.081 0.000 1.223 455 L HN 0.514 nan 8.230 nan 0.000 0.421 456 L N 6.740 128.254 121.223 0.485 0.000 2.265 456 L HA 0.599 4.935 4.340 -0.008 0.000 0.289 456 L C -1.121 175.976 176.870 0.378 0.000 1.033 456 L CA -0.018 55.155 54.840 0.555 0.000 0.814 456 L CB 0.858 43.270 42.059 0.588 0.000 1.203 456 L HN 0.450 nan 8.230 nan 0.000 0.423 457 I N 5.724 126.511 120.570 0.362 0.000 2.406 457 I HA 0.593 4.758 4.170 -0.008 0.000 0.290 457 I C 1.039 177.352 176.117 0.327 0.000 0.999 457 I CA 0.073 61.541 61.300 0.280 0.000 1.124 457 I CB 0.667 38.810 38.000 0.238 0.000 1.289 457 I HN 0.842 nan 8.210 nan 0.000 0.441 458 G N 4.997 113.912 108.800 0.191 0.000 2.582 458 G HA2 0.111 4.066 3.960 -0.008 0.000 0.288 458 G HA3 0.111 4.066 3.960 -0.008 0.000 0.288 458 G C 0.316 175.398 174.900 0.304 0.000 1.247 458 G CA 0.412 45.632 45.100 0.200 0.000 0.972 458 G HN 1.810 nan 8.290 nan 0.000 0.557 459 G N -1.751 107.289 108.800 0.400 0.000 2.483 459 G HA2 0.537 4.493 3.960 -0.008 0.000 0.521 459 G HA3 0.537 4.493 3.960 -0.008 0.000 0.521 459 G C -0.351 174.640 174.900 0.151 0.000 1.278 459 G CA 0.794 46.082 45.100 0.314 0.000 0.965 459 G HN 2.534 nan 8.290 nan 0.000 0.504 460 R N -1.011 119.462 120.500 -0.045 0.000 2.764 460 R HA 0.792 5.127 4.340 -0.008 0.000 0.270 460 R C 0.406 176.584 176.300 -0.204 0.000 1.014 460 R CA -0.948 55.007 56.100 -0.242 0.000 0.904 460 R CB 1.556 31.397 30.300 -0.764 0.000 1.236 460 R HN 0.592 nan 8.270 nan 0.000 0.466 461 K N 0.855 121.131 120.400 -0.207 0.000 3.215 461 K HA 0.393 4.708 4.320 -0.008 0.000 0.171 461 K C 0.694 177.177 176.600 -0.196 0.000 1.127 461 K CA 0.077 56.260 56.287 -0.172 0.000 1.421 461 K CB -0.193 32.218 32.500 -0.149 0.000 1.962 461 K HN 0.588 nan 8.250 nan 0.000 0.478 462 A N 1.725 124.449 122.820 -0.160 0.000 2.366 462 A HA 0.132 4.447 4.320 -0.008 0.000 0.250 462 A C -1.943 175.562 177.584 -0.131 0.000 1.099 462 A CA -0.865 51.121 52.037 -0.085 0.000 0.794 462 A CB -0.428 18.635 19.000 0.104 0.000 1.056 462 A HN 0.209 nan 8.150 nan 0.000 0.499 463 P HA -0.135 nan 4.420 nan 0.000 0.222 463 P C 0.688 178.032 177.300 0.073 0.000 1.147 463 P CA 1.622 64.659 63.100 -0.105 0.000 0.790 463 P CB -0.103 31.590 31.700 -0.011 0.000 0.780 464 H N -1.588 117.450 119.070 -0.054 0.000 2.533 464 H HA 0.224 4.775 4.556 -0.008 0.000 0.271 464 H C 0.185 175.506 175.328 -0.012 0.000 1.000 464 H CA 0.199 56.246 56.048 -0.001 0.000 1.149 464 H CB -0.673 29.086 29.762 -0.006 0.000 1.375 464 H HN 0.208 nan 8.280 nan 0.000 0.582 465 Q N 1.140 120.776 119.800 -0.272 0.000 2.470 465 Q HA 0.310 4.646 4.340 -0.008 0.000 0.389 465 Q C 0.286 176.192 176.000 -0.157 0.000 0.888 465 Q CA -0.449 55.188 55.803 -0.277 0.000 1.106 465 Q CB 1.336 29.849 28.738 -0.376 0.000 1.368 465 Q HN 0.489 nan 8.270 nan 0.000 0.403 466 G N 0.808 109.592 108.800 -0.026 0.000 2.474 466 G HA2 0.226 4.182 3.960 -0.008 0.000 0.233 466 G HA3 0.226 4.182 3.960 -0.008 0.000 0.233 466 G C -0.306 174.637 174.900 0.071 0.000 1.278 466 G CA -0.099 45.078 45.100 0.128 0.000 0.861 466 G HN 0.279 nan 8.290 nan 0.000 0.567 467 L N 0.666 121.946 121.223 0.096 0.000 2.330 467 L HA 0.445 4.780 4.340 -0.008 0.000 0.271 467 L C 1.050 177.955 176.870 0.058 0.000 1.013 467 L CA -0.707 54.165 54.840 0.054 0.000 0.816 467 L CB 2.382 44.468 42.059 0.045 0.000 1.287 467 L HN 0.686 nan 8.230 nan 0.000 0.435 468 S N -2.297 113.419 115.700 0.026 0.000 2.666 468 S HA 0.075 4.541 4.470 -0.008 0.000 0.239 468 S C -0.007 174.591 174.600 -0.003 0.000 1.031 468 S CA -0.618 57.576 58.200 -0.011 0.000 1.015 468 S CB -0.104 63.073 63.200 -0.039 0.000 0.981 468 S HN 0.707 nan 8.310 nan 0.000 0.547 469 D N 2.245 122.676 120.400 0.052 0.000 2.277 469 D HA 0.272 4.908 4.640 -0.008 0.000 0.249 469 D C -0.834 175.570 176.300 0.172 0.000 1.134 469 D CA -0.349 53.695 54.000 0.073 0.000 0.863 469 D CB 0.604 41.488 40.800 0.140 0.000 1.143 469 D HN 0.044 nan 8.370 nan 0.000 0.458 470 N N 2.241 120.973 118.700 0.053 0.000 2.384 470 N HA 0.469 5.204 4.740 -0.008 0.000 0.301 470 N C -0.924 174.615 175.510 0.048 0.000 1.133 470 N CA -0.378 52.771 53.050 0.165 0.000 0.853 470 N CB 1.508 40.050 38.487 0.091 0.000 1.241 470 N HN 0.500 nan 8.380 nan 0.000 0.502 471 W N 0.293 121.673 121.300 0.134 0.000 3.083 471 W HA 0.600 5.255 4.660 -0.008 0.000 0.333 471 W C -0.511 176.217 176.519 0.349 0.000 1.217 471 W CA -0.461 57.030 57.345 0.244 0.000 1.170 471 W CB 1.143 30.763 29.460 0.266 0.000 1.437 471 W HN 0.146 nan 8.180 nan 0.000 0.557 472 I N 2.102 123.028 120.570 0.593 0.000 2.509 472 I HA 0.335 4.500 4.170 -0.008 0.000 0.293 472 I C -1.148 175.215 176.117 0.410 0.000 1.020 472 I CA -1.035 60.512 61.300 0.411 0.000 1.088 472 I CB 1.489 39.606 38.000 0.194 0.000 1.267 472 I HN 0.170 nan 8.210 nan 0.000 0.430 473 F N 5.285 125.201 119.950 -0.057 0.000 2.415 473 F HA 0.353 4.876 4.527 -0.007 0.000 0.348 473 F C -0.172 175.442 175.800 -0.310 0.000 1.119 473 F CA -0.687 57.025 58.000 -0.481 0.000 1.069 473 F CB 1.048 39.440 39.000 -1.013 0.000 1.124 473 F HN 0.375 nan 8.300 nan 0.000 0.472 474 D N 5.712 125.563 120.400 -0.916 0.000 2.317 474 D HA 0.235 4.871 4.640 -0.008 0.000 0.234 474 D C 0.898 176.623 176.300 -0.959 0.000 1.112 474 D CA -0.175 53.419 54.000 -0.676 0.000 0.840 474 D CB 1.124 41.678 40.800 -0.409 0.000 1.078 474 D HN 0.659 nan 8.370 nan 0.000 0.486 475 M N 2.747 121.972 119.600 -0.624 0.000 2.086 475 M HA -0.105 4.370 4.480 -0.008 0.000 0.261 475 M C 2.040 178.156 176.300 -0.307 0.000 1.067 475 M CA 1.335 56.352 55.300 -0.471 0.000 1.116 475 M CB -0.105 32.336 32.600 -0.264 0.000 1.348 475 M HN 0.384 nan 8.290 nan 0.000 0.407 476 K N 0.171 120.434 120.400 -0.228 0.000 2.009 476 K HA -0.167 4.149 4.320 -0.008 0.000 0.210 476 K C 1.838 178.348 176.600 -0.150 0.000 1.049 476 K CA 2.039 58.242 56.287 -0.140 0.000 0.929 476 K CB -0.143 32.294 32.500 -0.104 0.000 0.714 476 K HN 0.467 nan 8.250 nan 0.000 0.440 477 T N -2.006 112.424 114.554 -0.207 0.000 3.081 477 T HA 0.129 4.475 4.350 -0.008 0.000 0.255 477 T C 0.288 174.866 174.700 -0.204 0.000 1.113 477 T CA -0.100 61.900 62.100 -0.167 0.000 1.082 477 T CB -0.139 68.642 68.868 -0.145 0.000 0.939 477 T HN 0.303 nan 8.240 nan 0.000 0.506 478 R N 1.138 121.408 120.500 -0.384 0.000 3.516 478 R HA -0.129 4.206 4.340 -0.008 0.000 0.271 478 R C -0.960 175.162 176.300 -0.297 0.000 1.098 478 R CA 0.709 56.560 56.100 -0.414 0.000 0.732 478 R CB -2.257 28.038 30.300 -0.008 0.000 1.152 478 R HN 0.663 nan 8.270 nan 0.000 0.455 479 E N -0.367 119.569 120.200 -0.440 0.000 2.179 479 E HA 0.272 4.617 4.350 -0.008 0.000 0.275 479 E C -0.503 176.055 176.600 -0.069 0.000 0.945 479 E CA -0.657 55.674 56.400 -0.114 0.000 0.792 479 E CB 0.849 30.523 29.700 -0.043 0.000 1.125 479 E HN 0.105 nan 8.360 nan 0.000 0.397 480 W N 1.716 123.176 121.300 0.267 0.000 2.376 480 W HA 0.275 4.930 4.660 -0.008 0.000 0.322 480 W C 0.074 176.822 176.519 0.381 0.000 1.160 480 W CA -0.268 57.321 57.345 0.407 0.000 1.218 480 W CB 1.417 31.097 29.460 0.366 0.000 1.205 480 W HN 0.379 nan 8.180 nan 0.000 0.559 481 S N 3.440 119.555 115.700 0.691 0.000 2.547 481 S HA 0.542 5.007 4.470 -0.008 0.000 0.281 481 S C -0.883 173.789 174.600 0.120 0.000 1.118 481 S CA -1.081 57.338 58.200 0.366 0.000 0.947 481 S CB 1.489 64.788 63.200 0.165 0.000 1.053 481 S HN 0.568 nan 8.310 nan 0.000 0.482 482 M N 4.272 123.574 119.600 -0.496 0.000 2.200 482 M HA 0.421 4.897 4.480 -0.008 0.000 0.355 482 M C -0.330 175.708 176.300 -0.436 0.000 1.283 482 M CA -0.473 54.189 55.300 -1.063 0.000 1.124 482 M CB 0.203 31.934 32.600 -1.448 0.000 1.625 482 M HN 0.887 nan 8.290 nan 0.000 0.463 483 I N 1.149 121.527 120.570 -0.321 0.000 4.030 483 I HA 0.517 4.682 4.170 -0.008 0.000 0.248 483 I C -0.218 175.845 176.117 -0.090 0.000 1.284 483 I CA -1.178 60.049 61.300 -0.121 0.000 1.223 483 I CB 0.535 38.523 38.000 -0.020 0.000 1.446 483 I HN 0.563 nan 8.210 nan 0.000 0.519 484 K N 1.228 121.643 120.400 0.026 0.000 2.448 484 K HA 0.164 4.479 4.320 -0.008 0.000 0.278 484 K C -0.424 176.249 176.600 0.121 0.000 1.009 484 K CA -0.053 56.295 56.287 0.102 0.000 0.995 484 K CB 0.504 33.143 32.500 0.232 0.000 0.917 484 K HN 0.658 nan 8.250 nan 0.000 0.481 485 S N 3.357 119.085 115.700 0.046 0.000 2.601 485 S HA 0.251 4.716 4.470 -0.008 0.000 0.271 485 S C 0.039 174.592 174.600 -0.078 0.000 1.305 485 S CA -0.835 57.355 58.200 -0.017 0.000 1.022 485 S CB 0.532 63.703 63.200 -0.049 0.000 0.940 485 S HN 0.459 nan 8.310 nan 0.000 0.525 486 L N 1.798 122.896 121.223 -0.208 0.000 2.461 486 L HA 0.147 4.482 4.340 -0.008 0.000 0.272 486 L C 1.385 178.137 176.870 -0.196 0.000 1.197 486 L CA -0.271 54.357 54.840 -0.353 0.000 0.836 486 L CB 0.323 42.191 42.059 -0.319 0.000 1.105 486 L HN 0.651 nan 8.230 nan 0.000 0.477 487 S N -0.836 114.753 115.700 -0.185 0.000 2.453 487 S HA -0.030 4.435 4.470 -0.008 0.000 0.231 487 S C -0.044 174.307 174.600 -0.416 0.000 1.005 487 S CA 0.784 58.830 58.200 -0.257 0.000 0.949 487 S CB -0.184 62.851 63.200 -0.275 0.000 0.774 487 S HN 0.565 nan 8.310 nan 0.000 0.510 488 H N 0.589 119.586 119.070 -0.123 0.000 2.589 488 H HA 0.380 4.932 4.556 -0.007 0.000 0.351 488 H C 0.156 175.429 175.328 -0.092 0.000 1.074 488 H CA -0.860 55.134 56.048 -0.089 0.000 1.203 488 H CB 0.841 30.553 29.762 -0.085 0.000 1.558 488 H HN 0.024 nan 8.280 nan 0.000 0.522 489 T N 0.650 115.238 114.554 0.057 0.000 2.903 489 T HA 0.244 4.589 4.350 -0.008 0.000 0.314 489 T C 0.280 175.010 174.700 0.051 0.000 1.078 489 T CA -0.642 61.491 62.100 0.055 0.000 1.114 489 T CB 0.934 69.857 68.868 0.091 0.000 0.987 489 T HN 0.696 nan 8.240 nan 0.000 0.548 490 R N 1.740 122.277 120.500 0.063 0.000 2.536 490 R HA 0.538 4.873 4.340 -0.008 0.000 0.269 490 R C -1.703 174.730 176.300 0.222 0.000 1.113 490 R CA -0.945 55.156 56.100 0.001 0.000 0.948 490 R CB 1.212 31.398 30.300 -0.191 0.000 1.237 490 R HN 0.801 nan 8.270 nan 0.000 0.441 491 F N 0.301 120.362 119.950 0.184 0.000 2.643 491 F HA 0.599 5.121 4.527 -0.008 0.000 0.314 491 F C 0.267 176.184 175.800 0.195 0.000 1.096 491 F CA -1.160 56.996 58.000 0.261 0.000 0.953 491 F CB 1.463 40.532 39.000 0.116 0.000 1.345 491 F HN 0.660 nan 8.300 nan 0.000 0.468 492 R N 0.361 121.005 120.500 0.240 0.000 3.875 492 R HA -0.178 4.158 4.340 -0.008 0.000 0.321 492 R C -0.204 176.072 176.300 -0.040 0.000 1.196 492 R CA 1.119 57.236 56.100 0.029 0.000 0.868 492 R CB -2.172 28.149 30.300 0.036 0.000 1.333 492 R HN 0.976 nan 8.270 nan 0.000 0.522 493 H N -1.147 117.910 119.070 -0.020 0.000 2.597 493 H HA 0.531 5.082 4.556 -0.007 0.000 0.370 493 H C -0.048 175.275 175.328 -0.009 0.000 1.281 493 H CA -0.226 55.809 56.048 -0.021 0.000 1.422 493 H CB 0.893 30.653 29.762 -0.003 0.000 1.524 493 H HN -0.038 nan 8.280 nan 0.000 0.607 494 S N -0.570 115.155 115.700 0.042 0.000 2.621 494 S HA 0.754 5.220 4.470 -0.008 0.000 0.302 494 S C -0.502 174.149 174.600 0.085 0.000 1.093 494 S CA -0.404 57.790 58.200 -0.009 0.000 1.017 494 S CB 1.791 64.992 63.200 0.001 0.000 1.077 494 S HN 1.003 nan 8.310 nan 0.000 0.517 495 A N 0.498 123.354 122.820 0.060 0.000 2.539 495 A HA 0.854 5.170 4.320 -0.008 0.000 0.296 495 A C -0.737 176.885 177.584 0.062 0.000 1.073 495 A CA -0.825 51.267 52.037 0.092 0.000 0.700 495 A CB 0.725 19.807 19.000 0.136 0.000 1.296 495 A HN 1.452 nan 8.150 nan 0.000 0.405 496 C N -0.316 119.010 119.300 0.044 0.000 3.086 496 C HA 0.867 5.322 4.460 -0.008 0.000 0.311 496 C C 0.125 175.091 174.990 -0.039 0.000 1.260 496 C CA -0.522 58.516 59.018 0.034 0.000 1.426 496 C CB 0.871 28.671 27.740 0.099 0.000 1.826 496 C HN 1.359 nan 8.230 nan 0.000 0.474 497 S N 0.965 116.652 115.700 -0.021 0.000 2.580 497 S HA 0.708 5.174 4.470 -0.008 0.000 0.274 497 S C -0.495 174.010 174.600 -0.160 0.000 1.329 497 S CA -0.333 57.832 58.200 -0.058 0.000 1.036 497 S CB 0.017 63.217 63.200 0.000 0.000 0.919 497 S HN 0.672 nan 8.310 nan 0.000 0.515 498 L N 4.942 126.032 121.223 -0.222 0.000 2.322 498 L HA 0.441 4.777 4.340 -0.008 0.000 0.269 498 L C -1.603 175.236 176.870 -0.051 0.000 1.012 498 L CA -2.377 52.265 54.840 -0.330 0.000 0.815 498 L CB 1.592 43.314 42.059 -0.561 0.000 1.295 498 L HN 0.459 nan 8.230 nan 0.000 0.438 499 P HA -0.167 nan 4.420 nan 0.000 0.218 499 P C 0.485 177.841 177.300 0.095 0.000 1.148 499 P CA 1.080 64.263 63.100 0.138 0.000 0.822 499 P CB 0.018 31.851 31.700 0.221 0.000 0.784 500 D N -2.102 118.362 120.400 0.106 0.000 2.349 500 D HA 0.077 4.712 4.640 -0.008 0.000 0.224 500 D C 1.450 177.766 176.300 0.026 0.000 1.029 500 D CA 0.716 54.763 54.000 0.077 0.000 0.879 500 D CB -0.871 39.999 40.800 0.117 0.000 0.906 500 D HN 0.254 nan 8.370 nan 0.000 0.528 501 G N -0.342 108.461 108.800 0.005 0.000 2.194 501 G HA2 -0.270 3.686 3.960 -0.008 0.000 0.236 501 G HA3 -0.270 3.686 3.960 -0.008 0.000 0.236 501 G C 0.276 175.152 174.900 -0.041 0.000 0.987 501 G CA -0.103 44.987 45.100 -0.015 0.000 0.635 501 G HN 0.385 nan 8.290 nan 0.000 0.520 502 N N -0.361 118.299 118.700 -0.066 0.000 2.347 502 N HA 0.564 5.300 4.740 -0.008 0.000 0.253 502 N C -0.074 175.373 175.510 -0.105 0.000 1.274 502 N CA 0.188 53.179 53.050 -0.098 0.000 0.941 502 N CB 1.374 39.794 38.487 -0.112 0.000 1.200 502 N HN 0.184 nan 8.380 nan 0.000 0.514 503 V N 1.418 121.298 119.914 -0.056 0.000 2.531 503 V HA 0.289 4.405 4.120 -0.008 0.000 0.301 503 V C -0.397 175.674 176.094 -0.038 0.000 1.034 503 V CA -0.791 61.496 62.300 -0.022 0.000 0.865 503 V CB 1.902 33.785 31.823 0.098 0.000 0.995 503 V HN 0.386 nan 8.190 nan 0.000 0.424 504 L N 6.144 127.302 121.223 -0.107 0.000 2.312 504 L HA 0.644 4.979 4.340 -0.008 0.000 0.281 504 L C -0.563 176.315 176.870 0.013 0.000 1.070 504 L CA 0.326 55.109 54.840 -0.094 0.000 0.805 504 L CB 1.112 43.059 42.059 -0.188 0.000 1.174 504 L HN 0.540 nan 8.230 nan 0.000 0.434 505 I N 5.583 126.178 120.570 0.042 0.000 2.466 505 I HA 0.364 4.529 4.170 -0.008 0.000 0.289 505 I C -1.245 174.907 176.117 0.058 0.000 1.026 505 I CA -0.614 60.743 61.300 0.094 0.000 1.078 505 I CB 1.910 39.972 38.000 0.105 0.000 1.249 505 I HN 0.410 nan 8.210 nan 0.000 0.429 506 L N 7.271 128.550 121.223 0.093 0.000 2.325 506 L HA 0.881 5.217 4.340 -0.008 0.000 0.281 506 L C 0.548 177.479 176.870 0.102 0.000 1.004 506 L CA 0.498 55.388 54.840 0.083 0.000 0.823 506 L CB 1.053 43.165 42.059 0.088 0.000 1.236 506 L HN 0.844 nan 8.230 nan 0.000 0.415 507 G N 3.518 112.364 108.800 0.077 0.000 2.596 507 G HA2 0.221 4.177 3.960 -0.008 0.000 0.295 507 G HA3 0.221 4.177 3.960 -0.008 0.000 0.295 507 G C 0.620 175.540 174.900 0.033 0.000 1.240 507 G CA 0.080 45.210 45.100 0.050 0.000 0.985 507 G HN 2.438 nan 8.290 nan 0.000 0.555 508 G N -3.416 105.386 108.800 0.003 0.000 2.710 508 G HA2 0.284 4.239 3.960 -0.008 0.000 0.668 508 G HA3 0.284 4.239 3.960 -0.008 0.000 0.668 508 G C -0.255 174.543 174.900 -0.170 0.000 1.320 508 G CA 0.270 45.337 45.100 -0.055 0.000 0.860 508 G HN 1.962 nan 8.290 nan 0.000 0.538 509 V N 1.490 121.157 119.914 -0.411 0.000 2.397 509 V HA 0.601 4.717 4.120 -0.008 0.000 0.262 509 V C 0.899 176.787 176.094 -0.344 0.000 1.047 509 V CA 1.250 63.258 62.300 -0.487 0.000 1.003 509 V CB 0.325 31.545 31.823 -1.005 0.000 1.037 509 V HN 1.392 nan 8.190 nan 0.000 0.480 510 T N 3.232 117.690 114.554 -0.159 0.000 2.893 510 T HA 0.255 4.600 4.350 -0.008 0.000 0.337 510 T C 0.099 174.761 174.700 -0.064 0.000 1.587 510 T CA -0.527 61.518 62.100 -0.091 0.000 1.066 510 T CB 1.874 70.677 68.868 -0.109 0.000 1.414 510 T HN 0.572 nan 8.240 nan 0.000 0.488 511 E N 1.290 121.473 120.200 -0.028 0.000 2.479 511 E HA 0.218 4.563 4.350 -0.008 0.000 0.193 511 E C 1.157 177.597 176.600 -0.266 0.000 1.049 511 E CA 0.176 56.554 56.400 -0.037 0.000 0.870 511 E CB 0.186 29.942 29.700 0.093 0.000 0.944 511 E HN 0.719 nan 8.360 nan 0.000 0.492 512 G N 2.188 110.705 108.800 -0.472 0.000 2.588 512 G HA2 0.297 4.253 3.960 -0.008 0.000 0.278 512 G HA3 0.297 4.253 3.960 -0.008 0.000 0.278 512 G C -2.362 172.287 174.900 -0.417 0.000 1.307 512 G CA -0.952 43.596 45.100 -0.920 0.000 1.016 512 G HN -0.060 nan 8.290 nan 0.000 0.503 513 P HA 0.211 nan 4.420 nan 0.000 0.267 513 P C 0.598 177.849 177.300 -0.082 0.000 1.200 513 P CA 0.343 63.356 63.100 -0.146 0.000 0.772 513 P CB 1.017 32.660 31.700 -0.094 0.000 0.855 514 A N 2.929 125.738 122.820 -0.018 0.000 2.067 514 A HA -0.031 4.284 4.320 -0.008 0.000 0.219 514 A C 0.943 178.560 177.584 0.055 0.000 1.158 514 A CA 1.363 53.434 52.037 0.056 0.000 0.661 514 A CB -0.567 18.533 19.000 0.166 0.000 0.801 514 A HN 0.593 nan 8.150 nan 0.000 0.452 515 M N -0.217 119.376 119.600 -0.013 0.000 2.322 515 M HA 0.534 5.010 4.480 -0.008 0.000 0.285 515 M C -2.259 174.019 176.300 -0.036 0.000 1.119 515 M CA -0.385 54.888 55.300 -0.044 0.000 0.953 515 M CB 1.635 34.147 32.600 -0.148 0.000 1.701 515 M HN 0.114 nan 8.290 nan 0.000 0.479 516 L N 4.193 125.415 121.223 -0.001 0.000 2.341 516 L HA 0.683 5.019 4.340 -0.008 0.000 0.267 516 L C -1.347 175.570 176.870 0.078 0.000 1.009 516 L CA -1.123 53.756 54.840 0.065 0.000 0.819 516 L CB 2.226 44.359 42.059 0.124 0.000 1.323 516 L HN 0.548 nan 8.230 nan 0.000 0.425 517 L N 2.135 123.425 121.223 0.112 0.000 2.333 517 L HA 0.424 4.759 4.340 -0.008 0.000 0.280 517 L C -1.482 175.471 176.870 0.138 0.000 1.004 517 L CA -0.374 54.509 54.840 0.071 0.000 0.820 517 L CB 1.494 43.565 42.059 0.021 0.000 1.247 517 L HN 0.532 nan 8.230 nan 0.000 0.416 518 Y N 5.834 126.107 120.300 -0.044 0.000 2.367 518 Y HA 0.323 4.868 4.550 -0.008 0.000 0.342 518 Y C 0.176 175.951 175.900 -0.208 0.000 0.979 518 Y CA -0.451 57.498 58.100 -0.251 0.000 1.161 518 Y CB 0.650 38.922 38.460 -0.314 0.000 1.155 518 Y HN 0.666 nan 8.280 nan 0.000 0.503 519 N N 5.705 123.949 118.700 -0.760 0.000 2.406 519 N HA 0.075 4.811 4.740 -0.008 0.000 0.251 519 N C 0.551 175.522 175.510 -0.898 0.000 1.069 519 N CA 0.199 52.891 53.050 -0.598 0.000 0.947 519 N CB 1.340 39.615 38.487 -0.354 0.000 1.111 519 N HN 0.675 nan 8.380 nan 0.000 0.497 520 V N 3.429 122.990 119.914 -0.589 0.000 2.358 520 V HA -0.190 3.925 4.120 -0.008 0.000 0.246 520 V C 2.086 178.020 176.094 -0.266 0.000 1.047 520 V CA 1.805 63.862 62.300 -0.404 0.000 1.035 520 V CB -0.619 31.142 31.823 -0.104 0.000 0.658 520 V HN 0.650 nan 8.190 nan 0.000 0.452 521 T N -0.243 114.188 114.554 -0.204 0.000 2.812 521 T HA -0.146 4.200 4.350 -0.008 0.000 0.264 521 T C 1.719 176.333 174.700 -0.143 0.000 1.042 521 T CA 1.490 63.511 62.100 -0.132 0.000 1.140 521 T CB -0.196 68.615 68.868 -0.094 0.000 0.870 521 T HN 0.597 nan 8.240 nan 0.000 0.445 522 E N 0.890 120.977 120.200 -0.188 0.000 2.371 522 E HA 0.014 4.359 4.350 -0.008 0.000 0.194 522 E C -0.007 176.484 176.600 -0.181 0.000 1.012 522 E CA 0.071 56.376 56.400 -0.159 0.000 0.860 522 E CB 0.000 29.613 29.700 -0.146 0.000 0.811 522 E HN 0.526 nan 8.360 nan 0.000 0.502 523 E N 0.483 120.504 120.200 -0.298 0.000 2.320 523 E HA -0.214 4.131 4.350 -0.008 0.000 0.234 523 E C -0.345 176.137 176.600 -0.197 0.000 1.183 523 E CA 0.556 56.809 56.400 -0.244 0.000 0.713 523 E CB -2.013 27.662 29.700 -0.043 0.000 1.226 523 E HN 0.459 nan 8.360 nan 0.000 0.382 524 I N -3.289 117.052 120.570 -0.381 0.000 2.828 524 I HA 0.661 4.826 4.170 -0.008 0.000 0.302 524 I C -0.511 175.450 176.117 -0.259 0.000 1.101 524 I CA -1.303 59.889 61.300 -0.180 0.000 1.031 524 I CB 1.472 39.420 38.000 -0.086 0.000 1.231 524 I HN -0.160 nan 8.210 nan 0.000 0.427 525 F N 3.331 123.364 119.950 0.137 0.000 2.421 525 F HA 0.583 5.106 4.527 -0.008 0.000 0.337 525 F C 0.213 176.052 175.800 0.064 0.000 1.105 525 F CA -0.350 57.737 58.000 0.146 0.000 1.049 525 F CB 1.715 40.805 39.000 0.150 0.000 1.139 525 F HN 0.460 nan 8.300 nan 0.000 0.479 526 K N 1.962 122.496 120.400 0.224 0.000 2.378 526 K HA 0.215 4.531 4.320 -0.008 0.000 0.252 526 K C -1.380 175.285 176.600 0.108 0.000 0.931 526 K CA -0.840 55.523 56.287 0.128 0.000 0.794 526 K CB 1.312 33.852 32.500 0.068 0.000 1.181 526 K HN 0.516 nan 8.250 nan 0.000 0.425 527 D N 3.704 124.148 120.400 0.073 0.000 2.346 527 D HA 0.032 4.668 4.640 -0.008 0.000 0.260 527 D C 0.256 176.563 176.300 0.012 0.000 1.252 527 D CA -0.128 53.892 54.000 0.033 0.000 0.895 527 D CB 1.079 41.892 40.800 0.022 0.000 1.097 527 D HN 0.321 nan 8.370 nan 0.000 0.489 528 V N 1.295 121.202 119.914 -0.013 0.000 3.085 528 V HA 0.275 4.390 4.120 -0.008 0.000 0.345 528 V C 0.516 176.542 176.094 -0.113 0.000 1.397 528 V CA -0.581 61.697 62.300 -0.037 0.000 1.165 528 V CB -0.431 31.384 31.823 -0.014 0.000 1.153 528 V HN 0.374 nan 8.190 nan 0.000 0.495 529 T N 4.816 119.302 114.554 -0.113 0.000 2.822 529 T HA 0.180 4.526 4.350 -0.008 0.000 0.288 529 T C -2.062 172.512 174.700 -0.209 0.000 0.991 529 T CA 0.418 62.408 62.100 -0.183 0.000 1.176 529 T CB 0.373 69.202 68.868 -0.064 0.000 0.951 529 T HN 0.461 nan 8.240 nan 0.000 0.526 530 P HA 0.165 nan 4.420 nan 0.000 0.270 530 P C 0.699 177.978 177.300 -0.034 0.000 1.223 530 P CA -0.447 62.501 63.100 -0.252 0.000 0.785 530 P CB 0.632 32.066 31.700 -0.442 0.000 0.923 531 K N 0.143 120.565 120.400 0.036 0.000 2.439 531 K HA -0.049 4.266 4.320 -0.008 0.000 0.197 531 K C 0.686 177.378 176.600 0.152 0.000 1.041 531 K CA 0.444 56.780 56.287 0.082 0.000 0.970 531 K CB -0.163 32.374 32.500 0.062 0.000 0.773 531 K HN 0.560 nan 8.250 nan 0.000 0.479 532 D N 2.436 122.975 120.400 0.232 0.000 2.488 532 D HA -0.106 4.530 4.640 -0.008 0.000 0.238 532 D C 0.974 177.481 176.300 0.344 0.000 1.138 532 D CA 0.349 54.538 54.000 0.315 0.000 0.873 532 D CB 0.883 41.951 40.800 0.447 0.000 1.183 532 D HN 0.326 nan 8.370 nan 0.000 0.458 533 E N 3.561 123.901 120.200 0.234 0.000 2.409 533 E HA -0.202 4.143 4.350 -0.008 0.000 0.198 533 E C 1.755 178.448 176.600 0.155 0.000 1.024 533 E CA 0.348 56.848 56.400 0.166 0.000 0.861 533 E CB -0.423 29.340 29.700 0.105 0.000 0.788 533 E HN 0.570 nan 8.360 nan 0.000 0.521 534 F N 1.224 121.197 119.950 0.039 0.000 2.202 534 F HA -0.088 4.434 4.527 -0.008 0.000 0.301 534 F C 1.001 176.678 175.800 -0.205 0.000 1.082 534 F CA 1.110 59.034 58.000 -0.126 0.000 1.313 534 F CB -0.041 38.792 39.000 -0.278 0.000 1.024 534 F HN -0.083 nan 8.300 nan 0.000 0.495 535 F N 0.498 120.520 119.950 0.120 0.000 2.663 535 F HA 0.152 4.674 4.527 -0.007 0.000 0.299 535 F C 1.796 177.585 175.800 -0.018 0.000 1.143 535 F CA -0.019 58.002 58.000 0.035 0.000 1.387 535 F CB -0.590 38.486 39.000 0.127 0.000 1.019 535 F HN 0.028 nan 8.300 nan 0.000 0.523 536 Q N -0.068 119.758 119.800 0.044 0.000 2.297 536 Q HA -0.002 4.333 4.340 -0.008 0.000 0.204 536 Q C 0.108 176.090 176.000 -0.029 0.000 0.962 536 Q CA 0.707 56.516 55.803 0.009 0.000 0.879 536 Q CB 0.082 28.805 28.738 -0.025 0.000 0.947 536 Q HN 0.313 nan 8.270 nan 0.000 0.462 537 N N 0.186 118.848 118.700 -0.063 0.000 2.258 537 N HA 0.138 4.873 4.740 -0.008 0.000 0.299 537 N C -1.341 174.245 175.510 0.127 0.000 1.047 537 N CA -0.165 52.883 53.050 -0.004 0.000 0.814 537 N CB 2.066 40.461 38.487 -0.152 0.000 1.413 537 N HN -0.116 nan 8.380 nan 0.000 0.478 538 S N 1.117 116.890 115.700 0.122 0.000 2.549 538 S HA 0.178 4.644 4.470 -0.008 0.000 0.283 538 S C -0.187 174.461 174.600 0.080 0.000 1.320 538 S CA -0.391 57.862 58.200 0.089 0.000 1.058 538 S CB 0.070 63.287 63.200 0.029 0.000 0.882 538 S HN 0.350 nan 8.310 nan 0.000 0.498 539 L N 6.780 127.995 121.223 -0.013 0.000 2.272 539 L HA 0.542 4.877 4.340 -0.008 0.000 0.289 539 L C -0.895 175.917 176.870 -0.098 0.000 1.032 539 L CA -0.129 54.607 54.840 -0.173 0.000 0.810 539 L CB 1.360 43.348 42.059 -0.119 0.000 1.205 539 L HN 0.464 nan 8.230 nan 0.000 0.422 540 V N 4.313 124.161 119.914 -0.111 0.000 2.394 540 V HA 0.361 4.477 4.120 -0.008 0.000 0.282 540 V C 0.562 176.579 176.094 -0.128 0.000 1.031 540 V CA -0.542 61.732 62.300 -0.043 0.000 0.881 540 V CB 1.140 33.020 31.823 0.095 0.000 0.982 540 V HN 0.894 nan 8.190 nan 0.000 0.451 541 S N 2.413 118.001 115.700 -0.187 0.000 3.628 541 S HA -0.162 4.304 4.470 -0.008 0.000 0.373 541 S C 0.396 174.857 174.600 -0.232 0.000 0.968 541 S CA 0.516 58.535 58.200 -0.302 0.000 1.215 541 S CB -0.947 61.850 63.200 -0.671 0.000 0.912 541 S HN 1.443 nan 8.310 nan 0.000 0.495 542 A N 0.842 123.593 122.820 -0.114 0.000 2.302 542 A HA 0.742 5.058 4.320 -0.008 0.000 0.285 542 A C 0.931 178.487 177.584 -0.047 0.000 1.105 542 A CA 0.121 52.128 52.037 -0.050 0.000 0.816 542 A CB 0.459 19.464 19.000 0.008 0.000 1.067 542 A HN 1.024 nan 8.150 nan 0.000 0.489 543 G N -0.587 108.194 108.800 -0.031 0.000 2.441 543 G HA2 0.486 4.441 3.960 -0.008 0.000 0.243 543 G HA3 0.486 4.441 3.960 -0.008 0.000 0.243 543 G C -0.779 174.122 174.900 0.002 0.000 1.281 543 G CA 0.019 45.096 45.100 -0.038 0.000 0.854 543 G HN 1.121 nan 8.290 nan 0.000 0.560 544 L N 0.612 121.841 121.223 0.011 0.000 2.464 544 L HA 0.799 5.135 4.340 -0.008 0.000 0.266 544 L C -0.850 176.065 176.870 0.076 0.000 0.965 544 L CA -0.786 54.107 54.840 0.087 0.000 0.833 544 L CB 2.460 44.588 42.059 0.114 0.000 1.296 544 L HN 0.651 nan 8.230 nan 0.000 0.405 545 E N 3.661 123.924 120.200 0.106 0.000 2.383 545 E HA 0.640 4.986 4.350 -0.008 0.000 0.275 545 E C -2.212 174.529 176.600 0.235 0.000 0.918 545 E CA -0.393 56.061 56.400 0.089 0.000 0.764 545 E CB 1.777 31.396 29.700 -0.136 0.000 1.252 545 E HN 0.422 nan 8.360 nan 0.000 0.449 546 F N 2.110 122.124 119.950 0.107 0.000 2.565 546 F HA 0.436 4.959 4.527 -0.007 0.000 0.313 546 F C -1.310 174.575 175.800 0.142 0.000 1.091 546 F CA -0.910 57.148 58.000 0.097 0.000 0.915 546 F CB 1.887 40.941 39.000 0.090 0.000 1.208 546 F HN 0.445 nan 8.300 nan 0.000 0.453 547 D N 6.749 126.827 120.400 -0.538 0.000 2.392 547 D HA 0.413 5.049 4.640 -0.008 0.000 0.228 547 D C -2.255 173.775 176.300 -0.449 0.000 1.074 547 D CA -2.654 51.104 54.000 -0.403 0.000 0.838 547 D CB 2.130 42.614 40.800 -0.527 0.000 1.067 547 D HN 0.165 nan 8.370 nan 0.000 0.511 548 P HA -0.043 nan 4.420 nan 0.000 0.233 548 P C 1.266 178.566 177.300 -0.000 0.000 1.167 548 P CA 0.205 63.357 63.100 0.086 0.000 0.770 548 P CB 0.550 32.333 31.700 0.138 0.000 0.837 549 V N 0.317 120.175 119.914 -0.093 0.000 2.379 549 V HA -0.130 3.986 4.120 -0.008 0.000 0.243 549 V C 2.370 178.406 176.094 -0.098 0.000 1.035 549 V CA 2.381 64.633 62.300 -0.080 0.000 1.035 549 V CB -1.302 30.461 31.823 -0.099 0.000 0.673 549 V HN 0.249 nan 8.190 nan 0.000 0.457 550 S N -1.039 114.557 115.700 -0.173 0.000 2.527 550 S HA -0.021 4.444 4.470 -0.008 0.000 0.222 550 S C 0.965 175.469 174.600 -0.159 0.000 0.985 550 S CA 0.187 58.288 58.200 -0.165 0.000 0.921 550 S CB -0.394 62.679 63.200 -0.213 0.000 0.772 550 S HN 0.581 nan 8.310 nan 0.000 0.529 551 K N 0.822 121.107 120.400 -0.192 0.000 3.077 551 K HA -0.200 4.116 4.320 -0.008 0.000 0.264 551 K C -0.586 175.855 176.600 -0.265 0.000 1.008 551 K CA 0.759 56.993 56.287 -0.089 0.000 0.740 551 K CB -1.654 30.972 32.500 0.211 0.000 1.273 551 K HN 0.688 nan 8.250 nan 0.000 0.477 552 Q N -0.931 118.455 119.800 -0.691 0.000 2.399 552 Q HA 0.717 5.052 4.340 -0.008 0.000 0.276 552 Q C 0.244 175.648 176.000 -0.993 0.000 1.098 552 Q CA -0.762 54.668 55.803 -0.621 0.000 0.827 552 Q CB 2.541 31.067 28.738 -0.352 0.000 1.386 552 Q HN 0.260 nan 8.270 nan 0.000 0.443 553 G N 0.362 108.521 108.800 -1.069 0.000 2.733 553 G HA2 0.804 4.759 3.960 -0.008 0.000 0.288 553 G HA3 0.804 4.759 3.960 -0.008 0.000 0.288 553 G C -1.328 173.133 174.900 -0.732 0.000 1.373 553 G CA -0.561 44.003 45.100 -0.893 0.000 0.895 553 G HN 0.464 nan 8.290 nan 0.000 0.479 554 I N 0.167 120.646 120.570 -0.151 0.000 2.582 554 I HA 0.411 4.577 4.170 -0.008 0.000 0.292 554 I C -0.882 175.357 176.117 0.203 0.000 1.066 554 I CA -0.657 60.651 61.300 0.014 0.000 1.053 554 I CB 2.478 40.408 38.000 -0.117 0.000 1.241 554 I HN 0.191 nan 8.210 nan 0.000 0.421 555 I N 6.285 126.989 120.570 0.222 0.000 2.404 555 I HA 0.413 4.578 4.170 -0.008 0.000 0.293 555 I C -1.004 175.116 176.117 0.006 0.000 0.992 555 I CA -0.713 60.683 61.300 0.160 0.000 1.149 555 I CB 2.009 40.145 38.000 0.226 0.000 1.315 555 I HN 0.242 nan 8.210 nan 0.000 0.446 556 L N 6.427 127.641 121.223 -0.015 0.000 2.406 556 L HA 0.669 5.005 4.340 -0.008 0.000 0.272 556 L C 0.345 177.223 176.870 0.013 0.000 0.980 556 L CA 0.340 55.131 54.840 -0.080 0.000 0.831 556 L CB 0.670 42.640 42.059 -0.148 0.000 1.253 556 L HN 0.885 nan 8.230 nan 0.000 0.406 557 G N 3.960 112.804 108.800 0.074 0.000 2.566 557 G HA2 0.202 4.157 3.960 -0.008 0.000 0.280 557 G HA3 0.202 4.157 3.960 -0.008 0.000 0.280 557 G C 0.360 175.315 174.900 0.091 0.000 1.225 557 G CA 0.077 45.261 45.100 0.140 0.000 0.966 557 G HN 2.333 nan 8.290 nan 0.000 0.560 558 G N -2.375 106.470 108.800 0.075 0.000 2.674 558 G HA2 0.590 4.546 3.960 -0.008 0.000 0.686 558 G HA3 0.590 4.546 3.960 -0.008 0.000 0.686 558 G C 0.393 175.258 174.900 -0.059 0.000 1.195 558 G CA 0.576 45.666 45.100 -0.018 0.000 0.776 558 G HN 2.477 nan 8.290 nan 0.000 0.654 559 G N -0.706 108.129 108.800 0.059 0.000 2.491 559 G HA2 0.878 4.833 3.960 -0.008 0.000 0.327 559 G HA3 0.878 4.833 3.960 -0.008 0.000 0.327 559 G C -0.562 174.156 174.900 -0.303 0.000 1.189 559 G CA -0.949 44.198 45.100 0.079 0.000 0.956 559 G HN 0.693 nan 8.290 nan 0.000 0.491 560 F N -1.178 118.875 119.950 0.172 0.000 2.557 560 F HA 0.407 4.930 4.527 -0.008 0.000 0.336 560 F C 1.643 177.502 175.800 0.098 0.000 1.058 560 F CA -0.833 57.222 58.000 0.092 0.000 0.988 560 F CB 2.087 41.114 39.000 0.045 0.000 1.275 560 F HN 0.232 nan 8.300 nan 0.000 0.488 561 M N 0.712 120.472 119.600 0.266 0.000 2.686 561 M HA -0.076 4.399 4.480 -0.008 0.000 0.246 561 M C 1.021 177.408 176.300 0.145 0.000 1.096 561 M CA 0.527 55.919 55.300 0.154 0.000 1.076 561 M CB -0.441 32.213 32.600 0.091 0.000 1.504 561 M HN 0.556 nan 8.290 nan 0.000 0.524 562 D N -0.172 120.337 120.400 0.182 0.000 2.363 562 D HA -0.153 4.483 4.640 -0.008 0.000 0.226 562 D C 0.378 176.813 176.300 0.224 0.000 1.020 562 D CA 0.381 54.479 54.000 0.163 0.000 0.892 562 D CB -0.360 40.525 40.800 0.141 0.000 0.900 562 D HN 0.412 nan 8.370 nan 0.000 0.531 563 Q N -1.399 118.531 119.800 0.217 0.000 2.461 563 Q HA -0.220 4.116 4.340 -0.008 0.000 0.264 563 Q C 0.132 176.348 176.000 0.360 0.000 1.085 563 Q CA 1.298 57.214 55.803 0.188 0.000 1.006 563 Q CB -2.276 26.498 28.738 0.061 0.000 1.437 563 Q HN 0.431 nan 8.270 nan 0.000 0.514 564 T N -2.670 112.148 114.554 0.440 0.000 3.313 564 T HA 0.041 4.387 4.350 -0.008 0.000 0.266 564 T C 0.483 175.496 174.700 0.522 0.000 0.987 564 T CA 0.631 63.095 62.100 0.606 0.000 1.086 564 T CB 0.583 69.738 68.868 0.478 0.000 1.159 564 T HN 0.149 nan 8.240 nan 0.000 0.450 565 T N 3.168 117.971 114.554 0.415 0.000 2.832 565 T HA 0.566 4.911 4.350 -0.008 0.000 0.296 565 T C -0.544 174.421 174.700 0.442 0.000 0.968 565 T CA -0.149 62.202 62.100 0.419 0.000 1.107 565 T CB 1.207 70.326 68.868 0.420 0.000 0.916 565 T HN -0.021 nan 8.240 nan 0.000 0.517 566 V N 2.840 122.971 119.914 0.361 0.000 2.531 566 V HA 0.424 4.540 4.120 -0.008 0.000 0.301 566 V C 0.359 176.631 176.094 0.296 0.000 1.034 566 V CA -0.993 61.477 62.300 0.283 0.000 0.865 566 V CB 1.990 33.961 31.823 0.247 0.000 0.995 566 V HN 0.960 nan 8.190 nan 0.000 0.424 567 S N 2.448 118.299 115.700 0.252 0.000 2.562 567 S HA 0.104 4.570 4.470 -0.008 0.000 0.281 567 S C 0.552 175.331 174.600 0.297 0.000 1.333 567 S CA -0.081 58.323 58.200 0.340 0.000 1.052 567 S CB 0.453 63.863 63.200 0.349 0.000 0.884 567 S HN 0.952 nan 8.310 nan 0.000 0.506 568 D N 2.715 123.297 120.400 0.303 0.000 2.525 568 D HA 0.215 4.850 4.640 -0.008 0.000 0.229 568 D C -0.292 176.238 176.300 0.383 0.000 1.202 568 D CA -0.363 53.822 54.000 0.310 0.000 0.828 568 D CB 0.092 41.024 40.800 0.220 0.000 1.008 568 D HN 0.187 nan 8.370 nan 0.000 0.493 569 K N 0.469 121.059 120.400 0.317 0.000 2.156 569 K HA 0.736 5.052 4.320 -0.008 0.000 0.254 569 K C -0.475 176.151 176.600 0.043 0.000 0.950 569 K CA -0.918 55.501 56.287 0.221 0.000 0.849 569 K CB 2.250 34.779 32.500 0.049 0.000 1.100 569 K HN 0.101 nan 8.250 nan 0.000 0.434 570 A N 3.442 126.197 122.820 -0.109 0.000 2.287 570 A HA 0.554 4.870 4.320 -0.008 0.000 0.317 570 A C -0.432 177.050 177.584 -0.169 0.000 1.220 570 A CA -0.753 51.087 52.037 -0.329 0.000 0.835 570 A CB 0.263 18.826 19.000 -0.729 0.000 1.180 570 A HN 0.522 nan 8.150 nan 0.000 0.500 571 I N 3.820 124.310 120.570 -0.134 0.000 2.339 571 I HA 0.294 4.459 4.170 -0.008 0.000 0.290 571 I C -0.661 175.506 176.117 0.084 0.000 0.994 571 I CA -0.513 60.747 61.300 -0.067 0.000 1.191 571 I CB 1.013 38.931 38.000 -0.137 0.000 1.343 571 I HN 0.426 nan 8.210 nan 0.000 0.458 572 I N 8.173 128.782 120.570 0.065 0.000 2.342 572 I HA 0.312 4.478 4.170 -0.008 0.000 0.291 572 I C -0.021 176.185 176.117 0.148 0.000 1.010 572 I CA -0.162 61.163 61.300 0.041 0.000 1.308 572 I CB 0.480 38.472 38.000 -0.013 0.000 1.400 572 I HN 0.364 nan 8.210 nan 0.000 0.488 573 F N 4.261 124.269 119.950 0.097 0.000 2.593 573 F HA 0.871 5.394 4.527 -0.008 0.000 0.320 573 F C -0.605 175.284 175.800 0.148 0.000 1.060 573 F CA -1.392 56.686 58.000 0.130 0.000 0.940 573 F CB 1.264 40.365 39.000 0.169 0.000 1.268 573 F HN 0.246 nan 8.300 nan 0.000 0.475 574 K N 1.496 122.104 120.400 0.347 0.000 2.207 574 K HA 0.426 4.741 4.320 -0.008 0.000 0.255 574 K C -2.227 174.662 176.600 0.480 0.000 0.941 574 K CA -0.629 55.821 56.287 0.272 0.000 0.825 574 K CB 1.152 33.742 32.500 0.150 0.000 1.119 574 K HN 0.743 nan 8.250 nan 0.000 0.430 575 Y N 3.110 123.633 120.300 0.371 0.000 2.369 575 Y HA 0.361 4.906 4.550 -0.008 0.000 0.337 575 Y C -1.184 174.834 175.900 0.198 0.000 0.961 575 Y CA -1.275 57.019 58.100 0.323 0.000 1.186 575 Y CB 1.061 39.752 38.460 0.386 0.000 1.139 575 Y HN 0.698 nan 8.280 nan 0.000 0.494 576 D N 5.025 125.254 120.400 -0.286 0.000 2.473 576 D HA 0.352 4.987 4.640 -0.008 0.000 0.226 576 D C 0.652 176.599 176.300 -0.588 0.000 1.089 576 D CA 0.120 53.912 54.000 -0.345 0.000 0.883 576 D CB 1.281 42.004 40.800 -0.128 0.000 1.029 576 D HN 0.732 nan 8.370 nan 0.000 0.517 577 A N 3.714 126.072 122.820 -0.769 0.000 2.070 577 A HA -0.125 4.191 4.320 -0.008 0.000 0.220 577 A C 1.651 179.097 177.584 -0.229 0.000 1.159 577 A CA 1.033 52.720 52.037 -0.584 0.000 0.656 577 A CB -0.200 18.613 19.000 -0.311 0.000 0.800 577 A HN 0.644 nan 8.150 nan 0.000 0.453 578 E N -0.149 119.945 120.200 -0.178 0.000 2.481 578 E HA -0.036 4.310 4.350 -0.008 0.000 0.195 578 E C 0.138 176.693 176.600 -0.075 0.000 1.047 578 E CA -0.256 56.087 56.400 -0.095 0.000 0.867 578 E CB 0.028 29.686 29.700 -0.071 0.000 0.858 578 E HN 0.443 nan 8.360 nan 0.000 0.513 579 N N 0.549 119.193 118.700 -0.093 0.000 2.439 579 N HA 0.130 4.866 4.740 -0.008 0.000 0.249 579 N C 0.206 175.697 175.510 -0.033 0.000 1.003 579 N CA -0.014 53.004 53.050 -0.053 0.000 0.942 579 N CB 1.465 39.925 38.487 -0.047 0.000 1.115 579 N HN -0.023 nan 8.380 nan 0.000 0.505 580 A N 2.609 125.418 122.820 -0.018 0.000 1.968 580 A HA -0.094 4.221 4.320 -0.008 0.000 0.217 580 A C 1.658 179.245 177.584 0.005 0.000 1.169 580 A CA 2.078 54.111 52.037 -0.006 0.000 0.638 580 A CB -0.263 18.733 19.000 -0.006 0.000 0.812 580 A HN 0.744 nan 8.150 nan 0.000 0.446 581 T N -4.331 110.226 114.554 0.005 0.000 2.969 581 T HA 0.257 4.603 4.350 -0.008 0.000 0.250 581 T C 0.618 175.325 174.700 0.012 0.000 1.021 581 T CA 0.563 62.669 62.100 0.010 0.000 1.003 581 T CB 0.181 69.054 68.868 0.009 0.000 1.040 581 T HN 0.366 nan 8.240 nan 0.000 0.492 582 E N 2.223 122.430 120.200 0.011 0.000 3.898 582 E HA 0.253 4.598 4.350 -0.008 0.000 0.219 582 E C -2.040 174.574 176.600 0.023 0.000 1.207 582 E CA -1.951 54.457 56.400 0.014 0.000 1.240 582 E CB 1.265 30.973 29.700 0.014 0.000 1.239 582 E HN 0.178 nan 8.360 nan 0.000 0.422 583 P HA -0.011 nan 4.420 nan 0.000 0.229 583 P C 0.301 177.692 177.300 0.152 0.000 1.160 583 P CA 0.465 63.601 63.100 0.060 0.000 0.777 583 P CB 0.449 32.232 31.700 0.138 0.000 0.814 584 I N 1.008 121.649 120.570 0.118 0.000 2.362 584 I HA 0.251 4.417 4.170 -0.008 0.000 0.289 584 I C 0.432 176.593 176.117 0.073 0.000 0.994 584 I CA -0.376 61.001 61.300 0.128 0.000 1.158 584 I CB 1.433 39.413 38.000 -0.033 0.000 1.315 584 I HN -0.101 nan 8.210 nan 0.000 0.451 585 T N 2.663 117.309 114.554 0.154 0.000 2.907 585 T HA 0.662 5.007 4.350 -0.008 0.000 0.292 585 T C -0.355 174.468 174.700 0.206 0.000 1.043 585 T CA -0.749 61.431 62.100 0.132 0.000 1.003 585 T CB 2.205 71.138 68.868 0.108 0.000 1.084 585 T HN 0.121 nan 8.240 nan 0.000 0.483 586 V N 3.177 123.205 119.914 0.191 0.000 2.488 586 V HA 0.251 4.367 4.120 -0.008 0.000 0.277 586 V C 1.209 177.395 176.094 0.154 0.000 1.046 586 V CA -0.279 62.153 62.300 0.220 0.000 0.986 586 V CB 0.382 32.340 31.823 0.225 0.000 0.989 586 V HN 0.889 nan 8.190 nan 0.000 0.475 587 I N 3.100 123.753 120.570 0.140 0.000 2.494 587 I HA 0.140 4.306 4.170 -0.008 0.000 0.250 587 I C 1.043 177.201 176.117 0.069 0.000 1.112 587 I CA 0.913 62.264 61.300 0.086 0.000 1.438 587 I CB 0.226 38.260 38.000 0.056 0.000 1.111 587 I HN 0.574 nan 8.210 nan 0.000 0.431 588 K N 0.577 121.018 120.400 0.069 0.000 2.610 588 K HA 0.358 4.674 4.320 -0.008 0.000 0.278 588 K C -1.628 174.994 176.600 0.038 0.000 0.964 588 K CA -0.693 55.625 56.287 0.052 0.000 0.859 588 K CB 1.784 34.309 32.500 0.041 0.000 1.434 588 K HN -0.197 nan 8.250 nan 0.000 0.410 589 K N 3.581 124.001 120.400 0.033 0.000 2.463 589 K HA 0.449 4.765 4.320 -0.008 0.000 0.255 589 K C -0.969 175.668 176.600 0.062 0.000 0.942 589 K CA -0.683 55.610 56.287 0.009 0.000 0.814 589 K CB 1.484 33.974 32.500 -0.017 0.000 1.122 589 K HN 0.359 nan 8.250 nan 0.000 0.425 590 L N 2.350 123.630 121.223 0.095 0.000 2.325 590 L HA 0.444 4.779 4.340 -0.008 0.000 0.278 590 L C -0.261 176.825 176.870 0.360 0.000 1.023 590 L CA -0.818 54.156 54.840 0.222 0.000 0.811 590 L CB 1.704 43.932 42.059 0.280 0.000 1.249 590 L HN 0.558 nan 8.230 nan 0.000 0.431 591 Q N 2.153 122.144 119.800 0.318 0.000 2.353 591 Q HA 0.494 4.829 4.340 -0.008 0.000 0.268 591 Q C -1.667 174.397 176.000 0.105 0.000 1.045 591 Q CA -0.707 55.260 55.803 0.272 0.000 0.811 591 Q CB 2.132 30.960 28.738 0.150 0.000 1.305 591 Q HN 0.683 nan 8.270 nan 0.000 0.447 592 H N 2.515 121.458 119.070 -0.212 0.000 3.112 592 H HA 0.236 4.787 4.556 -0.009 0.000 0.347 592 H C -2.401 172.737 175.328 -0.315 0.000 1.188 592 H CA -1.283 54.452 56.048 -0.522 0.000 1.240 592 H CB 2.007 31.005 29.762 -1.273 0.000 1.920 592 H HN 0.429 nan 8.280 nan 0.000 0.535 593 P HA -0.120 nan 4.420 nan 0.000 0.218 593 P C 1.065 178.427 177.300 0.103 0.000 1.148 593 P CA 1.192 64.218 63.100 -0.123 0.000 0.822 593 P CB 0.293 31.865 31.700 -0.214 0.000 0.784 594 L N -2.648 118.745 121.223 0.284 0.000 2.610 594 L HA 0.065 4.400 4.340 -0.008 0.000 0.232 594 L C 1.650 178.767 176.870 0.411 0.000 1.149 594 L CA 0.446 55.505 54.840 0.365 0.000 0.872 594 L CB -0.658 41.582 42.059 0.301 0.000 0.992 594 L HN -0.000 nan 8.230 nan 0.000 0.447 595 F N -0.819 119.292 119.950 0.268 0.000 2.754 595 F HA 0.033 4.556 4.527 -0.007 0.000 0.297 595 F C 1.639 177.558 175.800 0.198 0.000 1.122 595 F CA -0.315 57.794 58.000 0.182 0.000 1.400 595 F CB 0.352 39.445 39.000 0.155 0.000 1.117 595 F HN 0.093 nan 8.300 nan 0.000 0.587 596 Q N 2.669 122.706 119.800 0.395 0.000 2.837 596 Q HA 0.155 4.491 4.340 -0.008 0.000 0.235 596 Q C -0.732 175.483 176.000 0.359 0.000 1.348 596 Q CA -0.023 55.967 55.803 0.313 0.000 0.990 596 Q CB 0.062 28.929 28.738 0.214 0.000 1.570 596 Q HN 0.336 nan 8.270 nan 0.000 0.575 597 R N 2.051 122.762 120.500 0.352 0.000 2.621 597 R HA 0.307 4.642 4.340 -0.008 0.000 0.292 597 R C -1.533 174.974 176.300 0.345 0.000 0.969 597 R CA -0.856 55.475 56.100 0.384 0.000 0.887 597 R CB 1.662 32.122 30.300 0.266 0.000 1.180 597 R HN 0.344 nan 8.270 nan 0.000 0.450 598 Y N 0.546 121.007 120.300 0.267 0.000 2.335 598 Y HA 0.395 4.940 4.550 -0.008 0.000 0.338 598 Y C 0.871 176.911 175.900 0.234 0.000 0.977 598 Y CA 0.313 58.554 58.100 0.234 0.000 1.114 598 Y CB 1.726 40.373 38.460 0.313 0.000 1.182 598 Y HN 0.937 nan 8.280 nan 0.000 0.463 599 G N 3.451 112.082 108.800 -0.281 0.000 2.160 599 G HA2 -0.279 3.676 3.960 -0.008 0.000 0.244 599 G HA3 -0.279 3.676 3.960 -0.008 0.000 0.244 599 G C 0.010 174.906 174.900 -0.005 0.000 1.022 599 G CA 0.400 45.406 45.100 -0.156 0.000 0.741 599 G HN 1.083 nan 8.290 nan 0.000 0.508 600 S N -1.003 114.714 115.700 0.027 0.000 2.655 600 S HA 0.797 5.263 4.470 -0.008 0.000 0.265 600 S C -0.078 174.490 174.600 -0.053 0.000 1.240 600 S CA -0.365 57.891 58.200 0.093 0.000 0.986 600 S CB 2.013 65.260 63.200 0.078 0.000 0.985 600 S HN 0.425 nan 8.310 nan 0.000 0.562 601 Q N 0.366 120.191 119.800 0.042 0.000 2.423 601 Q HA 0.614 4.949 4.340 -0.008 0.000 0.278 601 Q C -0.574 175.433 176.000 0.012 0.000 1.097 601 Q CA -0.616 55.151 55.803 -0.060 0.000 0.809 601 Q CB 2.169 30.800 28.738 -0.178 0.000 1.391 601 Q HN 0.909 nan 8.270 nan 0.000 0.428 602 I N -2.214 118.328 120.570 -0.047 0.000 2.828 602 I HA 0.819 4.985 4.170 -0.008 0.000 0.302 602 I C -1.117 174.930 176.117 -0.116 0.000 1.101 602 I CA -0.957 60.288 61.300 -0.092 0.000 1.031 602 I CB 2.784 40.697 38.000 -0.145 0.000 1.231 602 I HN 0.399 nan 8.210 nan 0.000 0.427 603 K N 3.479 123.779 120.400 -0.166 0.000 2.569 603 K HA 0.413 4.729 4.320 -0.008 0.000 0.259 603 K C -1.966 174.518 176.600 -0.193 0.000 0.932 603 K CA -0.532 55.669 56.287 -0.144 0.000 0.833 603 K CB 1.800 34.276 32.500 -0.041 0.000 1.340 603 K HN 0.632 nan 8.250 nan 0.000 0.429 604 Y N 4.331 124.600 120.300 -0.051 0.000 2.544 604 Y HA 0.027 4.572 4.550 -0.008 0.000 0.330 604 Y C 1.309 177.147 175.900 -0.103 0.000 1.136 604 Y CA 0.079 58.133 58.100 -0.076 0.000 1.417 604 Y CB 0.386 38.805 38.460 -0.068 0.000 1.229 604 Y HN 0.503 nan 8.280 nan 0.000 0.532 605 I N 1.137 121.709 120.570 0.004 0.000 2.270 605 I HA -0.082 4.084 4.170 -0.008 0.000 0.239 605 I C 1.287 177.359 176.117 -0.076 0.000 1.080 605 I CA 0.891 62.087 61.300 -0.174 0.000 1.383 605 I CB -0.173 37.521 38.000 -0.511 0.000 1.097 605 I HN 0.606 nan 8.210 nan 0.000 0.420 606 T N -2.500 112.050 114.554 -0.006 0.000 2.905 606 T HA 0.375 4.720 4.350 -0.008 0.000 0.283 606 T C -2.290 172.395 174.700 -0.025 0.000 1.031 606 T CA -1.920 60.195 62.100 0.025 0.000 1.002 606 T CB 1.530 70.442 68.868 0.073 0.000 1.200 606 T HN -0.210 nan 8.240 nan 0.000 0.560 607 P HA 0.207 nan 4.420 nan 0.000 0.237 607 P C 0.941 178.058 177.300 -0.306 0.000 1.178 607 P CA 0.482 63.387 63.100 -0.326 0.000 0.766 607 P CB 0.141 31.703 31.700 -0.231 0.000 0.876 608 R N -0.982 119.464 120.500 -0.089 0.000 2.476 608 R HA 0.218 4.554 4.340 -0.008 0.000 0.276 608 R C 0.251 176.600 176.300 0.082 0.000 0.941 608 R CA -0.010 56.081 56.100 -0.015 0.000 1.088 608 R CB 0.509 30.805 30.300 -0.007 0.000 1.216 608 R HN -0.058 nan 8.270 nan 0.000 0.533 609 K N 1.337 121.818 120.400 0.135 0.000 2.535 609 K HA 0.218 4.534 4.320 -0.008 0.000 0.253 609 K C -1.709 174.982 176.600 0.151 0.000 0.953 609 K CA -0.615 55.746 56.287 0.124 0.000 0.863 609 K CB 1.361 33.910 32.500 0.083 0.000 1.111 609 K HN -0.084 nan 8.250 nan 0.000 0.431 610 L N 5.563 126.820 121.223 0.057 0.000 2.264 610 L HA 0.381 4.717 4.340 -0.008 0.000 0.289 610 L C -1.092 175.698 176.870 -0.134 0.000 1.044 610 L CA -0.620 54.124 54.840 -0.160 0.000 0.807 610 L CB 0.929 42.801 42.059 -0.312 0.000 1.192 610 L HN 0.591 nan 8.230 nan 0.000 0.425 611 L N 6.487 127.619 121.223 -0.152 0.000 2.331 611 L HA 0.495 4.830 4.340 -0.008 0.000 0.278 611 L C -0.656 176.152 176.870 -0.102 0.000 1.106 611 L CA 0.447 55.220 54.840 -0.112 0.000 0.824 611 L CB 0.620 42.612 42.059 -0.112 0.000 1.142 611 L HN 0.542 nan 8.230 nan 0.000 0.443 612 I N 5.597 126.126 120.570 -0.069 0.000 2.418 612 I HA 0.440 4.605 4.170 -0.008 0.000 0.287 612 I C -1.040 175.049 176.117 -0.047 0.000 1.008 612 I CA -0.711 60.557 61.300 -0.054 0.000 1.104 612 I CB 1.845 39.823 38.000 -0.037 0.000 1.264 612 I HN 0.219 nan 8.210 nan 0.000 0.438 613 V N 5.434 125.348 119.914 0.000 0.000 2.531 613 V HA 0.799 4.914 4.120 -0.008 0.000 0.301 613 V C 0.615 176.742 176.094 0.054 0.000 1.034 613 V CA -0.178 62.117 62.300 -0.009 0.000 0.865 613 V CB 1.074 32.926 31.823 0.049 0.000 0.995 613 V HN 1.086 nan 8.190 nan 0.000 0.424 614 G N 3.669 112.385 108.800 -0.140 0.000 2.569 614 G HA2 0.349 4.304 3.960 -0.008 0.000 0.259 614 G HA3 0.349 4.304 3.960 -0.008 0.000 0.259 614 G C 0.593 175.529 174.900 0.059 0.000 1.263 614 G CA -0.038 45.016 45.100 -0.076 0.000 0.928 614 G HN 2.610 nan 8.290 nan 0.000 0.572 615 G N -3.141 105.837 108.800 0.296 0.000 2.796 615 G HA2 0.476 4.431 3.960 -0.008 0.000 0.571 615 G HA3 0.476 4.431 3.960 -0.008 0.000 0.571 615 G C 0.301 175.487 174.900 0.477 0.000 1.370 615 G CA 0.859 46.166 45.100 0.346 0.000 0.856 615 G HN 3.006 nan 8.290 nan 0.000 0.538 616 T N -2.905 111.997 114.554 0.580 0.000 2.910 616 T HA 0.859 5.204 4.350 -0.008 0.000 0.287 616 T C -0.036 174.945 174.700 0.469 0.000 1.050 616 T CA 0.306 62.762 62.100 0.593 0.000 1.011 616 T CB 2.062 71.275 68.868 0.575 0.000 1.195 616 T HN 2.173 nan 8.240 nan 0.000 0.540 617 S N 0.501 116.236 115.700 0.057 0.000 2.540 617 S HA 0.580 5.046 4.470 -0.008 0.000 0.275 617 S C -2.267 171.984 174.600 -0.582 0.000 1.123 617 S CA -1.751 56.322 58.200 -0.211 0.000 0.907 617 S CB 1.972 64.984 63.200 -0.314 0.000 1.081 617 S HN 0.590 nan 8.310 nan 0.000 0.476 618 P HA 0.118 nan 4.420 nan 0.000 0.236 618 P C 0.680 177.892 177.300 -0.147 0.000 1.177 618 P CA 0.449 63.117 63.100 -0.719 0.000 0.773 618 P CB 0.136 31.641 31.700 -0.324 0.000 0.878 619 S N -1.188 114.409 115.700 -0.172 0.000 2.517 619 S HA 0.425 4.891 4.470 -0.008 0.000 0.214 619 S C 1.113 175.500 174.600 -0.356 0.000 0.991 619 S CA 0.539 58.654 58.200 -0.143 0.000 0.906 619 S CB 0.316 63.450 63.200 -0.110 0.000 0.789 619 S HN 0.403 nan 8.310 nan 0.000 0.513 620 G N 0.434 108.810 108.800 -0.708 0.000 2.327 620 G HA2 0.371 4.327 3.960 -0.008 0.000 0.291 620 G HA3 0.371 4.327 3.960 -0.008 0.000 0.291 620 G C -2.100 172.250 174.900 -0.916 0.000 1.290 620 G CA -1.092 43.409 45.100 -0.998 0.000 0.857 620 G HN 0.137 nan 8.290 nan 0.000 0.520 621 L N 0.237 121.090 121.223 -0.615 0.000 2.322 621 L HA 0.616 4.952 4.340 -0.008 0.000 0.279 621 L C -0.221 176.481 176.870 -0.281 0.000 1.036 621 L CA -0.725 53.921 54.840 -0.323 0.000 0.807 621 L CB 1.290 43.289 42.059 -0.100 0.000 1.226 621 L HN 0.435 nan 8.230 nan 0.000 0.433 622 F N 0.903 120.899 119.950 0.077 0.000 2.410 622 F HA 0.216 4.737 4.527 -0.009 0.000 0.334 622 F C 0.567 176.461 175.800 0.156 0.000 1.134 622 F CA -0.203 57.853 58.000 0.093 0.000 1.227 622 F CB 0.830 39.900 39.000 0.116 0.000 1.194 622 F HN 0.576 nan 8.300 nan 0.000 0.571 623 D N -0.305 120.239 120.400 0.240 0.000 2.758 623 D HA 0.336 4.971 4.640 -0.008 0.000 0.262 623 D C 0.548 176.651 176.300 -0.327 0.000 1.113 623 D CA -0.749 53.227 54.000 -0.038 0.000 1.114 623 D CB 0.440 41.170 40.800 -0.115 0.000 1.363 623 D HN 0.333 nan 8.370 nan 0.000 0.617 624 R N -1.182 118.814 120.500 -0.840 0.000 2.193 624 R HA -0.020 4.315 4.340 -0.008 0.000 0.229 624 R C 1.702 177.846 176.300 -0.261 0.000 1.110 624 R CA 1.832 57.524 56.100 -0.680 0.000 0.988 624 R CB -0.477 29.348 30.300 -0.793 0.000 0.871 624 R HN 0.731 nan 8.270 nan 0.000 0.458 625 T N -1.407 113.035 114.554 -0.188 0.000 3.037 625 T HA 0.002 4.347 4.350 -0.008 0.000 0.252 625 T C 1.060 175.747 174.700 -0.021 0.000 1.073 625 T CA 0.674 62.721 62.100 -0.088 0.000 1.091 625 T CB 0.090 68.913 68.868 -0.075 0.000 0.935 625 T HN 0.271 nan 8.240 nan 0.000 0.488 626 N N -0.128 118.589 118.700 0.028 0.000 2.160 626 N HA 0.280 5.016 4.740 -0.008 0.000 0.226 626 N C 1.148 176.695 175.510 0.061 0.000 1.256 626 N CA -0.116 52.989 53.050 0.092 0.000 0.890 626 N CB -0.092 38.510 38.487 0.192 0.000 1.116 626 N HN 0.185 nan 8.380 nan 0.000 0.517 627 S N 0.322 116.048 115.700 0.044 0.000 2.383 627 S HA 0.184 4.649 4.470 -0.008 0.000 0.227 627 S C 0.573 175.080 174.600 -0.155 0.000 1.026 627 S CA 0.587 58.752 58.200 -0.059 0.000 0.981 627 S CB -0.069 63.193 63.200 0.103 0.000 0.818 627 S HN 0.377 nan 8.310 nan 0.000 0.472 628 I N 1.909 122.432 120.570 -0.079 0.000 2.447 628 I HA 0.492 4.657 4.170 -0.008 0.000 0.287 628 I C -0.554 175.536 176.117 -0.045 0.000 1.023 628 I CA -0.630 60.624 61.300 -0.076 0.000 1.083 628 I CB 1.719 39.683 38.000 -0.059 0.000 1.245 628 I HN 0.138 nan 8.210 nan 0.000 0.434 629 I N 2.328 122.873 120.570 -0.041 0.000 3.264 629 I HA 0.812 4.977 4.170 -0.008 0.000 0.315 629 I C -0.472 175.638 176.117 -0.012 0.000 1.154 629 I CA -0.652 60.639 61.300 -0.015 0.000 0.962 629 I CB 2.432 40.432 38.000 -0.000 0.000 1.265 629 I HN 0.527 nan 8.210 nan 0.000 0.463 630 S N 2.542 118.244 115.700 0.003 0.000 2.566 630 S HA 0.819 5.285 4.470 -0.008 0.000 0.298 630 S C -1.089 173.524 174.600 0.021 0.000 1.083 630 S CA -0.659 57.542 58.200 0.002 0.000 0.978 630 S CB 2.036 65.247 63.200 0.018 0.000 1.073 630 S HN 0.865 nan 8.310 nan 0.000 0.491 631 L N 1.929 123.161 121.223 0.015 0.000 2.385 631 L HA 0.643 4.978 4.340 -0.008 0.000 0.273 631 L C -1.407 175.488 176.870 0.041 0.000 0.990 631 L CA -0.250 54.614 54.840 0.040 0.000 0.821 631 L CB 1.982 44.064 42.059 0.037 0.000 1.279 631 L HN 0.859 nan 8.230 nan 0.000 0.412 632 D N 6.077 126.510 120.400 0.054 0.000 2.396 632 D HA 0.372 5.008 4.640 -0.008 0.000 0.225 632 D C -2.060 174.273 176.300 0.055 0.000 1.121 632 D CA -2.054 51.981 54.000 0.058 0.000 0.853 632 D CB 2.154 42.983 40.800 0.049 0.000 1.043 632 D HN 0.369 nan 8.370 nan 0.000 0.500 633 P HA -0.049 nan 4.420 nan 0.000 0.221 633 P C 1.438 178.758 177.300 0.033 0.000 1.150 633 P CA 0.258 63.382 63.100 0.040 0.000 0.800 633 P CB 0.494 32.220 31.700 0.045 0.000 0.787 634 L N 0.107 121.346 121.223 0.026 0.000 2.071 634 L HA -0.052 4.283 4.340 -0.008 0.000 0.201 634 L C 2.200 179.086 176.870 0.026 0.000 1.076 634 L CA 2.077 56.928 54.840 0.018 0.000 0.755 634 L CB -1.141 40.921 42.059 0.005 0.000 0.915 634 L HN -0.062 nan 8.230 nan 0.000 0.445 635 S N -1.120 114.597 115.700 0.029 0.000 2.515 635 S HA -0.075 4.391 4.470 -0.008 0.000 0.231 635 S C 0.658 175.282 174.600 0.041 0.000 0.987 635 S CA 0.492 58.711 58.200 0.031 0.000 0.936 635 S CB -0.604 62.613 63.200 0.027 0.000 0.766 635 S HN 0.582 nan 8.310 nan 0.000 0.528 636 E N 1.327 121.558 120.200 0.052 0.000 2.389 636 E HA -0.153 4.192 4.350 -0.008 0.000 0.243 636 E C -0.435 176.203 176.600 0.064 0.000 1.154 636 E CA 0.736 57.180 56.400 0.074 0.000 0.723 636 E CB -2.623 27.124 29.700 0.078 0.000 1.261 636 E HN 0.853 nan 8.360 nan 0.000 0.390 637 T N -1.761 112.822 114.554 0.050 0.000 2.885 637 T HA 0.756 5.102 4.350 -0.008 0.000 0.285 637 T C 0.043 174.755 174.700 0.019 0.000 1.019 637 T CA -0.983 61.134 62.100 0.028 0.000 1.010 637 T CB 2.033 70.916 68.868 0.025 0.000 1.022 637 T HN 0.158 nan 8.240 nan 0.000 0.466 638 L N 2.442 123.655 121.223 -0.018 0.000 2.346 638 L HA 0.774 5.109 4.340 -0.008 0.000 0.274 638 L C 0.469 177.327 176.870 -0.019 0.000 1.007 638 L CA -0.919 53.899 54.840 -0.035 0.000 0.818 638 L CB 2.356 44.323 42.059 -0.152 0.000 1.284 638 L HN 1.065 nan 8.230 nan 0.000 0.424 639 T N -1.792 112.761 114.554 -0.002 0.000 2.916 639 T HA 0.462 4.807 4.350 -0.008 0.000 0.292 639 T C -0.453 174.249 174.700 0.004 0.000 1.064 639 T CA -0.753 61.351 62.100 0.005 0.000 1.011 639 T CB 1.930 70.812 68.868 0.023 0.000 1.152 639 T HN 0.442 nan 8.240 nan 0.000 0.510 640 S N 0.554 116.256 115.700 0.003 0.000 2.480 640 S HA 0.563 5.028 4.470 -0.008 0.000 0.286 640 S C -0.376 174.227 174.600 0.005 0.000 1.180 640 S CA -0.944 57.255 58.200 -0.000 0.000 1.075 640 S CB -0.411 62.784 63.200 -0.008 0.000 0.996 640 S HN 0.609 nan 8.310 nan 0.000 0.487 641 I N 7.184 127.756 120.570 0.003 0.000 2.361 641 I HA 0.315 4.480 4.170 -0.008 0.000 0.282 641 I C -2.020 174.094 176.117 -0.006 0.000 1.075 641 I CA -2.286 59.020 61.300 0.010 0.000 1.205 641 I CB 1.236 39.246 38.000 0.017 0.000 1.406 641 I HN 0.487 nan 8.210 nan 0.000 0.481 642 P HA 0.135 nan 4.420 nan 0.000 0.268 642 P C -0.314 176.974 177.300 -0.021 0.000 1.205 642 P CA 0.135 63.214 63.100 -0.034 0.000 0.771 642 P CB 1.000 32.676 31.700 -0.040 0.000 0.858 643 I N 2.161 122.715 120.570 -0.028 0.000 2.325 643 I HA 0.062 4.228 4.170 -0.008 0.000 0.291 643 I C 1.328 177.455 176.117 0.017 0.000 1.019 643 I CA -0.405 60.911 61.300 0.028 0.000 1.302 643 I CB 0.835 38.905 38.000 0.117 0.000 1.401 643 I HN 0.378 nan 8.210 nan 0.000 0.485 644 S N 6.099 121.822 115.700 0.037 0.000 2.573 644 S HA 0.060 4.526 4.470 -0.008 0.000 0.277 644 S C 1.270 175.908 174.600 0.064 0.000 1.346 644 S CA -0.392 57.825 58.200 0.028 0.000 1.034 644 S CB 1.021 64.237 63.200 0.028 0.000 0.879 644 S HN 0.782 nan 8.310 nan 0.000 0.528 645 R N 1.250 121.764 120.500 0.023 0.000 2.117 645 R HA -0.143 4.193 4.340 -0.008 0.000 0.243 645 R C 2.511 178.847 176.300 0.061 0.000 1.143 645 R CA 1.360 57.481 56.100 0.034 0.000 0.968 645 R CB -0.220 30.067 30.300 -0.022 0.000 0.863 645 R HN 0.744 nan 8.270 nan 0.000 0.444 646 R N 0.565 121.095 120.500 0.050 0.000 2.073 646 R HA -0.102 4.234 4.340 -0.008 0.000 0.234 646 R C 2.225 178.615 176.300 0.151 0.000 1.134 646 R CA 1.689 57.825 56.100 0.061 0.000 0.952 646 R CB -0.313 30.024 30.300 0.062 0.000 0.850 646 R HN 0.328 nan 8.270 nan 0.000 0.433 647 I N -0.562 120.114 120.570 0.178 0.000 2.286 647 I HA -0.283 3.883 4.170 -0.008 0.000 0.245 647 I C 2.467 178.733 176.117 0.248 0.000 1.104 647 I CA 0.927 62.364 61.300 0.229 0.000 1.397 647 I CB -0.518 37.550 38.000 0.114 0.000 1.072 647 I HN 0.387 nan 8.210 nan 0.000 0.417 648 W N 2.580 123.900 121.300 0.033 0.000 2.335 648 W HA -0.226 4.432 4.660 -0.002 0.000 0.311 648 W C 2.121 178.656 176.519 0.025 0.000 1.213 648 W CA 1.889 59.257 57.345 0.037 0.000 1.274 648 W CB -0.058 29.414 29.460 0.020 0.000 1.148 648 W HN 0.209 nan 8.180 nan 0.000 0.498 649 E N -0.555 119.660 120.200 0.025 0.000 2.112 649 E HA -0.156 4.189 4.350 -0.008 0.000 0.190 649 E C 1.371 177.897 176.600 -0.123 0.000 0.979 649 E CA 1.165 57.401 56.400 -0.274 0.000 0.814 649 E CB -0.169 29.110 29.700 -0.702 0.000 0.762 649 E HN 0.142 nan 8.360 nan 0.000 0.460 650 D N -0.949 119.390 120.400 -0.101 0.000 2.389 650 D HA 0.074 4.709 4.640 -0.008 0.000 0.206 650 D C 0.228 176.275 176.300 -0.422 0.000 1.055 650 D CA 0.423 54.283 54.000 -0.233 0.000 0.856 650 D CB 0.396 41.028 40.800 -0.279 0.000 0.957 650 D HN 0.138 nan 8.370 nan 0.000 0.509 651 H N -0.264 118.795 119.070 -0.019 0.000 2.679 651 H HA 0.373 4.924 4.556 -0.008 0.000 0.367 651 H C -0.237 175.070 175.328 -0.036 0.000 1.162 651 H CA -0.556 55.481 56.048 -0.019 0.000 1.181 651 H CB 1.672 31.427 29.762 -0.010 0.000 1.693 651 H HN -0.247 nan 8.280 nan 0.000 0.538 652 S N 2.442 118.195 115.700 0.088 0.000 2.498 652 S HA 0.094 4.559 4.470 -0.008 0.000 0.314 652 S C 0.158 174.769 174.600 0.020 0.000 1.141 652 S CA -0.405 57.811 58.200 0.026 0.000 1.087 652 S CB -0.668 62.545 63.200 0.021 0.000 1.178 652 S HN 0.239 nan 8.310 nan 0.000 0.533 653 L N 4.747 125.961 121.223 -0.015 0.000 2.307 653 L HA 0.817 5.153 4.340 -0.008 0.000 0.284 653 L C -0.659 176.200 176.870 -0.020 0.000 1.023 653 L CA -0.331 54.495 54.840 -0.022 0.000 0.810 653 L CB 1.467 43.510 42.059 -0.026 0.000 1.231 653 L HN 0.605 nan 8.230 nan 0.000 0.423 654 M N 6.535 126.133 119.600 -0.004 0.000 2.295 654 M HA 0.364 4.839 4.480 -0.008 0.000 0.219 654 M C -1.906 174.413 176.300 0.031 0.000 0.981 654 M CA -0.143 55.183 55.300 0.043 0.000 1.019 654 M CB 1.090 33.731 32.600 0.069 0.000 2.528 654 M HN 0.484 nan 8.290 nan 0.000 0.445 655 L N 3.823 125.050 121.223 0.007 0.000 2.583 655 L HA 0.701 5.037 4.340 -0.008 0.000 0.239 655 L C 0.038 177.059 176.870 0.251 0.000 1.347 655 L CA -0.363 54.399 54.840 -0.130 0.000 1.246 655 L CB -0.557 41.291 42.059 -0.352 0.000 1.496 655 L HN 0.806 nan 8.230 nan 0.000 0.413 656 A N -0.065 122.937 122.820 0.304 0.000 2.359 656 A HA 0.671 4.986 4.320 -0.008 0.000 0.303 656 A C 0.796 178.334 177.584 -0.076 0.000 1.066 656 A CA 0.128 52.319 52.037 0.258 0.000 0.730 656 A CB 1.500 20.674 19.000 0.289 0.000 1.211 656 A HN 0.570 nan 8.150 nan 0.000 0.439 657 G N 1.023 109.442 108.800 -0.635 0.000 2.143 657 G HA2 -0.184 3.772 3.960 -0.008 0.000 0.248 657 G HA3 -0.184 3.772 3.960 -0.008 0.000 0.248 657 G C 0.069 174.591 174.900 -0.630 0.000 0.991 657 G CA 0.797 44.937 45.100 -1.601 0.000 0.689 657 G HN 1.979 nan 8.290 nan 0.000 0.522 658 F N 0.320 120.069 119.950 -0.335 0.000 2.375 658 F HA 0.892 5.416 4.527 -0.006 0.000 0.317 658 F C 0.399 176.147 175.800 -0.086 0.000 1.124 658 F CA -0.722 57.191 58.000 -0.144 0.000 1.050 658 F CB 1.004 39.953 39.000 -0.085 0.000 1.314 658 F HN 0.076 nan 8.300 nan 0.000 0.511 659 S N 0.334 116.081 115.700 0.079 0.000 2.632 659 S HA 0.699 5.164 4.470 -0.008 0.000 0.289 659 S C -1.100 173.611 174.600 0.185 0.000 1.115 659 S CA -0.857 57.341 58.200 -0.002 0.000 0.889 659 S CB 1.819 65.076 63.200 0.094 0.000 1.116 659 S HN 0.594 nan 8.310 nan 0.000 0.486 660 L N 1.824 123.110 121.223 0.105 0.000 2.341 660 L HA 0.754 5.090 4.340 -0.008 0.000 0.278 660 L C -1.269 175.666 176.870 0.109 0.000 1.005 660 L CA -0.834 54.090 54.840 0.139 0.000 0.818 660 L CB 1.750 43.874 42.059 0.108 0.000 1.259 660 L HN 0.316 nan 8.230 nan 0.000 0.418 661 V N 1.644 121.639 119.914 0.135 0.000 2.577 661 V HA 0.397 4.513 4.120 -0.008 0.000 0.303 661 V C -0.447 175.732 176.094 0.142 0.000 1.042 661 V CA -0.424 61.949 62.300 0.122 0.000 0.872 661 V CB 1.981 33.871 31.823 0.112 0.000 0.998 661 V HN 0.765 nan 8.190 nan 0.000 0.423 662 S N 2.357 118.120 115.700 0.106 0.000 2.659 662 S HA 0.375 4.841 4.470 -0.008 0.000 0.312 662 S C 0.544 175.197 174.600 0.087 0.000 1.114 662 S CA -0.131 58.132 58.200 0.105 0.000 1.063 662 S CB 1.672 64.915 63.200 0.071 0.000 0.996 662 S HN 0.838 nan 8.310 nan 0.000 0.478 663 T N 2.778 117.389 114.554 0.095 0.000 3.060 663 T HA 0.309 4.654 4.350 -0.008 0.000 0.249 663 T C 0.125 174.861 174.700 0.059 0.000 1.079 663 T CA 0.667 62.804 62.100 0.062 0.000 1.013 663 T CB -0.221 68.671 68.868 0.040 0.000 0.975 663 T HN 0.797 nan 8.240 nan 0.000 0.518 664 S N 0.206 115.948 115.700 0.069 0.000 2.535 664 S HA 0.481 4.947 4.470 -0.008 0.000 0.272 664 S C -0.720 173.912 174.600 0.054 0.000 1.149 664 S CA -0.942 57.292 58.200 0.057 0.000 0.888 664 S CB 1.075 64.309 63.200 0.056 0.000 1.110 664 S HN 0.267 nan 8.310 nan 0.000 0.463 665 M N 3.060 122.687 119.600 0.045 0.000 2.269 665 M HA 0.412 4.887 4.480 -0.008 0.000 0.350 665 M C 1.345 177.676 176.300 0.051 0.000 1.429 665 M CA 2.395 57.718 55.300 0.040 0.000 1.063 665 M CB -0.286 32.334 32.600 0.033 0.000 1.841 665 M HN 1.638 nan 8.290 nan 0.000 0.455 666 G N 2.656 111.475 108.800 0.031 0.000 2.218 666 G HA2 -0.179 3.776 3.960 -0.008 0.000 0.216 666 G HA3 -0.179 3.776 3.960 -0.008 0.000 0.216 666 G C -0.008 174.921 174.900 0.049 0.000 0.994 666 G CA 0.024 45.169 45.100 0.075 0.000 0.637 666 G HN 0.664 nan 8.290 nan 0.000 0.505 667 T N 1.214 115.780 114.554 0.021 0.000 2.906 667 T HA 0.655 5.001 4.350 -0.008 0.000 0.302 667 T C -0.374 174.308 174.700 -0.030 0.000 1.002 667 T CA -0.236 61.859 62.100 -0.007 0.000 0.988 667 T CB 1.555 70.446 68.868 0.038 0.000 0.972 667 T HN 0.356 nan 8.240 nan 0.000 0.447 668 I N 3.578 124.085 120.570 -0.104 0.000 2.436 668 I HA 0.355 4.520 4.170 -0.008 0.000 0.289 668 I C -0.043 175.988 176.117 -0.144 0.000 1.010 668 I CA -0.927 60.339 61.300 -0.057 0.000 1.098 668 I CB 1.460 39.433 38.000 -0.046 0.000 1.266 668 I HN 0.509 nan 8.210 nan 0.000 0.434 669 H N 6.828 125.916 119.070 0.030 0.000 2.489 669 H HA 0.489 5.040 4.556 -0.007 0.000 0.322 669 H C -0.520 174.837 175.328 0.049 0.000 1.091 669 H CA -0.386 55.680 56.048 0.029 0.000 1.291 669 H CB 2.224 32.001 29.762 0.024 0.000 1.436 669 H HN 0.385 nan 8.280 nan 0.000 0.480 670 I N 5.986 126.631 120.570 0.125 0.000 2.330 670 I HA 0.235 4.401 4.170 -0.008 0.000 0.286 670 I C 0.382 176.568 176.117 0.114 0.000 1.025 670 I CA -0.270 61.098 61.300 0.113 0.000 1.197 670 I CB 0.411 38.398 38.000 -0.022 0.000 1.358 670 I HN 0.364 nan 8.210 nan 0.000 0.467 671 I N 2.756 123.430 120.570 0.174 0.000 2.892 671 I HA 1.003 5.168 4.170 -0.008 0.000 0.306 671 I C 0.421 176.616 176.117 0.130 0.000 1.078 671 I CA -0.562 60.807 61.300 0.114 0.000 1.032 671 I CB 2.080 40.132 38.000 0.086 0.000 1.229 671 I HN 0.665 nan 8.210 nan 0.000 0.435 672 G N 2.073 110.895 108.800 0.037 0.000 2.796 672 G HA2 0.379 4.335 3.960 -0.008 0.000 0.226 672 G HA3 0.379 4.335 3.960 -0.008 0.000 0.226 672 G C 0.141 175.082 174.900 0.068 0.000 1.381 672 G CA -0.005 45.103 45.100 0.012 0.000 0.867 672 G HN 2.793 nan 8.290 nan 0.000 0.552 673 G N -2.383 106.430 108.800 0.022 0.000 2.629 673 G HA2 0.613 4.568 3.960 -0.008 0.000 0.686 673 G HA3 0.613 4.568 3.960 -0.008 0.000 0.686 673 G C 0.812 175.726 174.900 0.023 0.000 1.232 673 G CA 0.671 45.779 45.100 0.014 0.000 0.803 673 G HN 3.099 nan 8.290 nan 0.000 0.638 674 G N -1.252 107.574 108.800 0.044 0.000 2.313 674 G HA2 0.919 4.875 3.960 -0.008 0.000 0.296 674 G HA3 0.919 4.875 3.960 -0.008 0.000 0.296 674 G C -0.591 174.381 174.900 0.121 0.000 1.356 674 G CA 1.098 46.239 45.100 0.069 0.000 0.833 674 G HN 2.765 nan 8.290 nan 0.000 0.552 675 A N -1.308 121.580 122.820 0.114 0.000 2.612 675 A HA 0.846 5.161 4.320 -0.008 0.000 0.293 675 A C 0.745 178.386 177.584 0.095 0.000 1.075 675 A CA 0.770 52.895 52.037 0.147 0.000 0.680 675 A CB 1.059 20.185 19.000 0.211 0.000 1.279 675 A HN 2.146 nan 8.150 nan 0.000 0.411 676 T N -2.891 111.714 114.554 0.085 0.000 3.067 676 T HA 0.111 4.456 4.350 -0.008 0.000 0.257 676 T C 0.813 175.536 174.700 0.039 0.000 1.105 676 T CA 0.870 62.988 62.100 0.031 0.000 1.104 676 T CB -0.968 67.889 68.868 -0.018 0.000 0.925 676 T HN 1.710 nan 8.240 nan 0.000 0.498 677 C N 0.974 120.363 119.300 0.148 0.000 4.300 677 C HA -0.177 4.279 4.460 -0.008 0.000 0.304 677 C C 0.515 175.553 174.990 0.079 0.000 1.367 677 C CA 0.232 59.341 59.018 0.152 0.000 2.032 677 C CB -3.479 24.166 27.740 -0.158 0.000 1.285 677 C HN 0.855 nan 8.230 nan 0.000 0.737 678 Y N -1.488 118.789 120.300 -0.037 0.000 3.689 678 Y HA -0.149 4.397 4.550 -0.007 0.000 0.221 678 Y C 1.230 176.773 175.900 -0.594 0.000 1.247 678 Y CA 2.383 60.316 58.100 -0.278 0.000 1.671 678 Y CB -1.058 37.293 38.460 -0.182 0.000 1.521 678 Y HN 2.038 nan 8.280 nan 0.000 0.632 679 G N -0.862 107.705 108.800 -0.388 0.000 2.184 679 G HA2 -0.389 3.566 3.960 -0.008 0.000 0.264 679 G HA3 -0.389 3.566 3.960 -0.008 0.000 0.264 679 G C 0.775 175.487 174.900 -0.312 0.000 0.975 679 G CA 0.284 45.175 45.100 -0.349 0.000 0.642 679 G HN 0.665 nan 8.290 nan 0.000 0.536 680 F N 1.114 120.909 119.950 -0.257 0.000 2.661 680 F HA 0.381 4.904 4.527 -0.007 0.000 0.298 680 F C 1.757 177.456 175.800 -0.167 0.000 1.137 680 F CA 0.656 58.404 58.000 -0.420 0.000 1.454 680 F CB 0.477 39.234 39.000 -0.406 0.000 1.103 680 F HN 0.718 nan 8.300 nan 0.000 0.577 681 G N 0.051 108.867 108.800 0.027 0.000 2.521 681 G HA2 -0.015 3.941 3.960 -0.008 0.000 0.589 681 G HA3 -0.015 3.941 3.960 -0.008 0.000 0.589 681 G C -0.968 173.932 174.900 -0.001 0.000 1.501 681 G CA -1.241 43.873 45.100 0.024 0.000 0.887 681 G HN -0.059 nan 8.290 nan 0.000 0.654 682 S N -0.848 114.850 115.700 -0.003 0.000 2.576 682 S HA 0.626 5.092 4.470 -0.008 0.000 0.276 682 S C 0.351 174.953 174.600 0.004 0.000 1.339 682 S CA -0.013 58.185 58.200 -0.002 0.000 1.039 682 S CB 1.798 64.991 63.200 -0.013 0.000 0.902 682 S HN 1.724 nan 8.310 nan 0.000 0.516 683 V N 2.715 122.638 119.914 0.015 0.000 2.709 683 V HA 0.616 4.732 4.120 -0.008 0.000 0.308 683 V C -0.713 175.394 176.094 0.022 0.000 1.062 683 V CA -0.321 61.987 62.300 0.014 0.000 0.901 683 V CB 2.357 34.188 31.823 0.013 0.000 1.003 683 V HN 0.896 nan 8.190 nan 0.000 0.425 684 T N 6.100 120.662 114.554 0.014 0.000 2.779 684 T HA 0.334 4.680 4.350 -0.008 0.000 0.280 684 T C -0.123 174.585 174.700 0.013 0.000 0.987 684 T CA -0.247 61.860 62.100 0.012 0.000 0.966 684 T CB 0.645 69.514 68.868 0.003 0.000 0.933 684 T HN 0.793 nan 8.240 nan 0.000 0.442 685 N N 3.063 121.772 118.700 0.014 0.000 2.452 685 N HA 0.029 4.764 4.740 -0.008 0.000 0.266 685 N C 1.046 176.558 175.510 0.002 0.000 1.209 685 N CA -0.176 52.878 53.050 0.007 0.000 0.929 685 N CB 0.855 39.347 38.487 0.008 0.000 1.063 685 N HN 0.259 nan 8.380 nan 0.000 0.472 686 V N 3.204 123.122 119.914 0.006 0.000 2.407 686 V HA 0.128 4.243 4.120 -0.008 0.000 0.245 686 V C 1.127 177.217 176.094 -0.007 0.000 1.041 686 V CA 1.447 63.752 62.300 0.007 0.000 1.040 686 V CB -0.846 30.997 31.823 0.034 0.000 0.671 686 V HN 0.996 nan 8.190 nan 0.000 0.455 687 G N -0.403 108.388 108.800 -0.015 0.000 2.801 687 G HA2 0.141 4.097 3.960 -0.008 0.000 0.648 687 G HA3 0.141 4.097 3.960 -0.008 0.000 0.648 687 G C -1.376 173.511 174.900 -0.022 0.000 1.415 687 G CA -0.774 44.322 45.100 -0.007 0.000 0.887 687 G HN 0.187 nan 8.290 nan 0.000 0.627 688 L N 0.835 122.052 121.223 -0.010 0.000 2.341 688 L HA 0.878 5.214 4.340 -0.008 0.000 0.254 688 L C -0.001 176.849 176.870 -0.035 0.000 1.040 688 L CA -1.273 53.544 54.840 -0.038 0.000 0.837 688 L CB 2.870 44.894 42.059 -0.058 0.000 1.425 688 L HN 0.879 nan 8.230 nan 0.000 0.414 689 K N 0.786 121.131 120.400 -0.092 0.000 2.502 689 K HA 0.693 5.008 4.320 -0.008 0.000 0.257 689 K C -1.735 174.784 176.600 -0.136 0.000 0.938 689 K CA -0.803 55.360 56.287 -0.207 0.000 0.819 689 K CB 2.762 35.019 32.500 -0.406 0.000 1.333 689 K HN 0.354 nan 8.250 nan 0.000 0.434 690 L N 4.411 125.549 121.223 -0.141 0.000 2.296 690 L HA 0.582 4.917 4.340 -0.008 0.000 0.286 690 L C -0.942 175.913 176.870 -0.025 0.000 1.023 690 L CA -0.473 54.331 54.840 -0.060 0.000 0.812 690 L CB 0.953 42.967 42.059 -0.075 0.000 1.223 690 L HN 0.797 nan 8.230 nan 0.000 0.421 691 I N 1.965 122.582 120.570 0.080 0.000 2.969 691 I HA 0.823 4.989 4.170 -0.008 0.000 0.307 691 I C -0.154 176.143 176.117 0.300 0.000 1.149 691 I CA -1.228 60.162 61.300 0.149 0.000 1.008 691 I CB 1.925 39.986 38.000 0.102 0.000 1.232 691 I HN 0.635 nan 8.210 nan 0.000 0.435 692 A N 4.062 127.057 122.820 0.291 0.000 2.498 692 A HA 0.499 4.814 4.320 -0.008 0.000 0.239 692 A C 0.053 177.594 177.584 -0.071 0.000 1.068 692 A CA -0.040 52.012 52.037 0.026 0.000 0.766 692 A CB -0.032 18.963 19.000 -0.007 0.000 1.003 692 A HN 0.649 nan 8.150 nan 0.000 0.497 693 I N 0.000 120.448 120.570 -0.204 0.000 2.984 693 I HA 0.000 4.165 4.170 -0.008 0.000 0.288 693 I CA 0.000 61.230 61.300 -0.117 0.000 1.566 693 I CB 0.000 37.926 38.000 -0.124 0.000 1.214 693 I HN 0.000 nan 8.210 nan 0.000 0.494