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 3bh1_1_D DATA FIRST_RESID 3 DATA SEQUENCE NTIGFDREKY IEMQSQHIRE RREALGGKLY LEMGGKLFDD MHASRVLPGF DATA SEQUENCE TPDNKIAMLD RIKDEVEILV CINAKDLERH KIRADLGISY EEDVLRLVDV DATA SEQUENCE FRDRGFLVEH VVLTQLENDN RLALAFIERL QRLGIKVSRH RVIPGYPTDM DATA SEQUENCE DRIVSDEGFG LNEYAETTRD LVVVTAPGPG SGKLATCLSQ VYHEHKRGVA DATA SEQUENCE AGYAKFETFP IWNLPLEHPV NLAYEAATVD LNDANVIDHF HLAAYGEQTV DATA SEQUENCE NYNRDVEAFP LLKTLLERLM GESPYQSPTD MGVNMAGNCI SDDAACRHAS DATA SEQUENCE EQEIIRRYFK ALVEEARTGK DSTQSDRAAV VMAKAGIKAS QRVVVEPARQ DATA SEQUENCE VEERTSLPGC AIELVDGSII TGATSDLLGC SSSMLLNALK HLAGIDDAIH DATA SEQUENCE LLSPESIEPI QTLKTVHLGS SNPRLHTDEV LIALSVSAAT DSNAQKALDQ DATA SEQUENCE LKNLRGCDVH TTTILGSVDE GIFRNLGVLV TSDPKFQ 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.539 175.510 0.048 0.000 1.280 3 N CA 0.000 53.078 53.050 0.047 0.000 0.885 3 N CB 0.000 38.511 38.487 0.040 0.000 1.341 4 T N 0.553 115.140 114.554 0.055 0.000 2.799 4 T HA 0.593 4.943 4.350 -0.000 0.000 0.286 4 T C 0.123 174.863 174.700 0.066 0.000 0.973 4 T CA -0.207 61.925 62.100 0.053 0.000 1.035 4 T CB 0.452 69.347 68.868 0.044 0.000 0.932 4 T HN 0.023 nan 8.240 nan 0.000 0.469 5 I N 4.755 125.363 120.570 0.064 0.000 2.395 5 I HA 0.427 4.597 4.170 -0.000 0.000 0.289 5 I C 1.316 177.485 176.117 0.086 0.000 1.023 5 I CA 0.452 61.801 61.300 0.082 0.000 1.350 5 I CB 1.582 39.625 38.000 0.072 0.000 1.409 5 I HN 0.904 nan 8.210 nan 0.000 0.507 6 G N 5.593 114.467 108.800 0.123 0.000 3.342 6 G HA2 0.127 4.087 3.960 -0.000 0.000 0.252 6 G HA3 0.127 4.087 3.960 -0.000 0.000 0.252 6 G C -0.352 174.664 174.900 0.194 0.000 1.011 6 G CA 0.111 45.288 45.100 0.128 0.000 0.869 6 G HN 0.350 nan 8.290 nan 0.000 0.514 7 F N 1.423 121.396 119.950 0.039 0.000 2.529 7 F HA 0.512 5.039 4.527 -0.000 0.000 0.320 7 F C -1.334 174.492 175.800 0.043 0.000 1.118 7 F CA -1.598 56.426 58.000 0.040 0.000 0.915 7 F CB 2.266 41.305 39.000 0.065 0.000 1.161 7 F HN -0.147 nan 8.300 nan 0.000 0.445 8 D N 5.805 125.836 120.400 -0.616 0.000 2.422 8 D HA 0.107 4.747 4.640 -0.000 0.000 0.227 8 D C 1.182 177.220 176.300 -0.436 0.000 1.190 8 D CA 0.045 53.808 54.000 -0.394 0.000 0.905 8 D CB 0.591 41.219 40.800 -0.287 0.000 1.034 8 D HN 0.812 nan 8.370 nan 0.000 0.507 9 R N 2.868 123.298 120.500 -0.116 0.000 2.153 9 R HA -0.095 4.245 4.340 -0.000 0.000 0.218 9 R C 1.222 177.561 176.300 0.064 0.000 1.072 9 R CA 0.768 56.909 56.100 0.069 0.000 0.990 9 R CB 0.202 30.604 30.300 0.170 0.000 0.889 9 R HN 0.120 nan 8.270 nan 0.000 0.452 10 E N 1.364 121.569 120.200 0.008 0.000 2.107 10 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 10 E C 1.734 178.330 176.600 -0.007 0.000 0.982 10 E CA 1.271 57.675 56.400 0.006 0.000 0.809 10 E CB 0.014 29.711 29.700 -0.004 0.000 0.756 10 E HN 0.284 nan 8.360 nan 0.000 0.459 11 K N -0.924 119.452 120.400 -0.040 0.000 2.097 11 K HA -0.182 4.138 4.320 -0.000 0.000 0.205 11 K C 2.118 178.718 176.600 -0.001 0.000 1.050 11 K CA 1.174 57.436 56.287 -0.042 0.000 0.938 11 K CB -0.299 32.150 32.500 -0.085 0.000 0.718 11 K HN 0.209 nan 8.250 nan 0.000 0.442 12 Y N 1.575 121.800 120.300 -0.124 0.000 2.145 12 Y HA -0.174 4.376 4.550 -0.000 0.000 0.286 12 Y C 1.813 177.739 175.900 0.043 0.000 1.145 12 Y CA 1.518 59.607 58.100 -0.018 0.000 1.148 12 Y CB -0.240 38.268 38.460 0.079 0.000 0.981 12 Y HN -0.015 nan 8.280 nan 0.000 0.507 13 I N 0.060 120.603 120.570 -0.044 0.000 2.286 13 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 13 I C 2.161 178.212 176.117 -0.109 0.000 1.115 13 I CA 1.699 62.928 61.300 -0.118 0.000 1.392 13 I CB -0.312 37.681 38.000 -0.011 0.000 1.065 13 I HN 0.226 nan 8.210 nan 0.000 0.418 14 E N 0.304 120.466 120.200 -0.062 0.000 2.046 14 E HA -0.191 4.159 4.350 -0.000 0.000 0.190 14 E C 2.221 178.794 176.600 -0.045 0.000 0.982 14 E CA 1.255 57.629 56.400 -0.044 0.000 0.800 14 E CB -0.066 29.619 29.700 -0.024 0.000 0.756 14 E HN 0.325 nan 8.360 nan 0.000 0.449 15 M N -0.166 119.405 119.600 -0.048 0.000 2.098 15 M HA -0.184 4.296 4.480 -0.000 0.000 0.262 15 M C 2.254 178.551 176.300 -0.005 0.000 1.072 15 M CA 1.433 56.724 55.300 -0.014 0.000 1.133 15 M CB 0.105 32.708 32.600 0.004 0.000 1.344 15 M HN 0.009 nan 8.290 nan 0.000 0.414 16 Q N 0.228 119.963 119.800 -0.109 0.000 2.084 16 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 16 Q C 1.957 177.953 176.000 -0.006 0.000 0.978 16 Q CA 2.671 58.430 55.803 -0.075 0.000 0.844 16 Q CB -0.294 28.203 28.738 -0.403 0.000 0.898 16 Q HN 0.653 nan 8.270 nan 0.000 0.426 17 S N -0.614 115.041 115.700 -0.074 0.000 2.368 17 S HA -0.189 4.281 4.470 -0.000 0.000 0.225 17 S C 1.892 176.492 174.600 -0.001 0.000 1.030 17 S CA 1.031 59.207 58.200 -0.040 0.000 0.999 17 S CB -0.461 62.706 63.200 -0.055 0.000 0.844 17 S HN 0.360 nan 8.310 nan 0.000 0.459 18 Q N 0.606 120.416 119.800 0.017 0.000 2.084 18 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 18 Q C 2.188 178.232 176.000 0.073 0.000 0.978 18 Q CA 1.604 57.428 55.803 0.036 0.000 0.844 18 Q CB -0.657 28.104 28.738 0.038 0.000 0.898 18 Q HN 0.836 nan 8.270 nan 0.000 0.426 19 H N 0.034 119.109 119.070 0.008 0.000 2.395 19 H HA 0.025 4.581 4.556 -0.000 0.000 0.299 19 H C 2.049 177.394 175.328 0.029 0.000 1.070 19 H CA 0.711 56.774 56.048 0.026 0.000 1.356 19 H CB 0.226 30.017 29.762 0.047 0.000 1.401 19 H HN 0.163 nan 8.280 nan 0.000 0.524 20 I N 0.466 121.035 120.570 -0.001 0.000 2.252 20 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 20 I C 2.712 178.787 176.117 -0.070 0.000 1.102 20 I CA 0.969 62.241 61.300 -0.046 0.000 1.385 20 I CB -0.154 37.853 38.000 0.012 0.000 1.064 20 I HN 0.165 nan 8.210 nan 0.000 0.414 21 R N 0.305 120.779 120.500 -0.043 0.000 2.120 21 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 21 R C 2.109 178.381 176.300 -0.046 0.000 1.123 21 R CA 1.180 57.257 56.100 -0.038 0.000 0.975 21 R CB -0.201 30.086 30.300 -0.022 0.000 0.866 21 R HN 0.375 nan 8.270 nan 0.000 0.446 22 E N 0.080 120.242 120.200 -0.063 0.000 2.274 22 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 22 E C 1.874 178.418 176.600 -0.094 0.000 0.996 22 E CA 0.579 56.939 56.400 -0.065 0.000 0.840 22 E CB 0.209 29.880 29.700 -0.049 0.000 0.772 22 E HN 0.005 nan 8.360 nan 0.000 0.491 23 R N 1.097 121.512 120.500 -0.142 0.000 2.075 23 R HA -0.090 4.250 4.340 -0.000 0.000 0.226 23 R C 2.202 178.480 176.300 -0.037 0.000 1.114 23 R CA 1.805 57.840 56.100 -0.108 0.000 0.972 23 R CB -0.213 30.001 30.300 -0.142 0.000 0.869 23 R HN 0.125 nan 8.270 nan 0.000 0.437 24 R N -0.024 120.457 120.500 -0.033 0.000 2.115 24 R HA 0.020 4.360 4.340 -0.000 0.000 0.230 24 R C 1.441 177.737 176.300 -0.006 0.000 1.111 24 R CA 1.369 57.464 56.100 -0.009 0.000 0.976 24 R CB -0.457 29.832 30.300 -0.018 0.000 0.870 24 R HN 0.134 nan 8.270 nan 0.000 0.445 25 E N 1.168 121.358 120.200 -0.016 0.000 2.208 25 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 25 E C 1.805 178.401 176.600 -0.007 0.000 0.988 25 E CA 1.271 57.664 56.400 -0.011 0.000 0.828 25 E CB 0.057 29.750 29.700 -0.013 0.000 0.763 25 E HN 0.558 nan 8.360 nan 0.000 0.478 26 A N 0.334 123.148 122.820 -0.010 0.000 2.178 26 A HA 0.075 4.395 4.320 -0.000 0.000 0.211 26 A C 1.832 179.414 177.584 -0.003 0.000 1.157 26 A CA 0.198 52.231 52.037 -0.006 0.000 0.780 26 A CB 0.122 19.117 19.000 -0.008 0.000 0.828 26 A HN 0.095 nan 8.150 nan 0.000 0.476 27 L N -1.824 119.402 121.223 0.006 0.000 2.693 27 L HA 0.271 4.611 4.340 -0.000 0.000 0.235 27 L C 1.450 178.344 176.870 0.040 0.000 1.127 27 L CA 1.128 55.981 54.840 0.022 0.000 0.914 27 L CB -0.102 41.983 42.059 0.044 0.000 1.193 27 L HN 0.569 nan 8.230 nan 0.000 0.502 28 G N -0.051 108.761 108.800 0.019 0.000 2.483 28 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.196 28 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.196 28 G C 0.723 175.622 174.900 -0.002 0.000 2.335 28 G CA 0.106 45.210 45.100 0.007 0.000 1.576 28 G HN 0.251 nan 8.290 nan 0.000 0.499 29 G N -0.506 108.297 108.800 0.004 0.000 4.476 29 G HA2 0.420 4.380 3.960 -0.000 0.000 0.169 29 G HA3 0.420 4.380 3.960 -0.000 0.000 0.169 29 G C -0.115 174.784 174.900 -0.002 0.000 0.802 29 G CA 1.079 46.177 45.100 -0.004 0.000 0.782 29 G HN 0.741 nan 8.290 nan 0.000 0.461 30 K N 0.571 120.983 120.400 0.020 0.000 2.324 30 K HA 0.824 5.144 4.320 -0.000 0.000 0.253 30 K C -1.685 174.942 176.600 0.045 0.000 0.932 30 K CA -0.672 55.626 56.287 0.018 0.000 0.799 30 K CB 2.133 34.674 32.500 0.069 0.000 1.154 30 K HN 0.061 nan 8.250 nan 0.000 0.425 31 L N 4.280 125.478 121.223 -0.042 0.000 2.408 31 L HA 0.495 4.835 4.340 -0.000 0.000 0.268 31 L C -1.902 174.891 176.870 -0.128 0.000 0.986 31 L CA -0.371 54.472 54.840 0.006 0.000 0.820 31 L CB 1.410 43.464 42.059 -0.008 0.000 1.303 31 L HN 0.665 nan 8.230 nan 0.000 0.411 32 Y N 5.540 125.908 120.300 0.113 0.000 2.417 32 Y HA 0.470 5.020 4.550 -0.000 0.000 0.336 32 Y C -0.262 175.725 175.900 0.145 0.000 0.961 32 Y CA -0.343 57.834 58.100 0.129 0.000 1.215 32 Y CB 1.390 39.950 38.460 0.167 0.000 1.120 32 Y HN 0.382 nan 8.280 nan 0.000 0.499 33 L N 4.510 125.817 121.223 0.140 0.000 2.262 33 L HA 0.316 4.656 4.340 -0.000 0.000 0.288 33 L C 0.013 176.964 176.870 0.135 0.000 1.035 33 L CA -0.446 54.442 54.840 0.079 0.000 0.820 33 L CB 0.998 43.053 42.059 -0.006 0.000 1.204 33 L HN 0.645 nan 8.230 nan 0.000 0.424 34 E N 5.321 125.641 120.200 0.199 0.000 2.299 34 E HA 0.086 4.436 4.350 -0.000 0.000 0.272 34 E C -0.604 176.115 176.600 0.198 0.000 1.043 34 E CA -0.223 56.320 56.400 0.238 0.000 0.895 34 E CB 0.741 30.659 29.700 0.363 0.000 1.011 34 E HN 0.511 nan 8.360 nan 0.000 0.432 35 M N 4.739 124.437 119.600 0.162 0.000 2.268 35 M HA 0.266 4.746 4.480 -0.000 0.000 0.340 35 M C 0.014 176.423 176.300 0.182 0.000 1.099 35 M CA -0.328 55.081 55.300 0.181 0.000 1.053 35 M CB 0.967 33.599 32.600 0.053 0.000 1.284 35 M HN 0.599 nan 8.290 nan 0.000 0.410 36 G N 0.966 109.889 108.800 0.204 0.000 2.580 36 G HA2 0.676 4.636 3.960 -0.000 0.000 0.278 36 G HA3 0.676 4.636 3.960 -0.000 0.000 0.278 36 G C 0.250 175.247 174.900 0.161 0.000 1.212 36 G CA 0.339 45.542 45.100 0.171 0.000 0.939 36 G HN 0.866 nan 8.290 nan 0.000 0.513 37 G N -0.840 108.042 108.800 0.137 0.000 2.741 37 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.222 37 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.222 37 G C -0.096 174.883 174.900 0.132 0.000 1.364 37 G CA -0.157 45.021 45.100 0.130 0.000 0.866 37 G HN 0.744 nan 8.290 nan 0.000 0.555 38 K N 0.073 120.554 120.400 0.135 0.000 2.350 38 K HA 0.401 4.721 4.320 -0.000 0.000 0.279 38 K C 0.926 177.608 176.600 0.137 0.000 1.027 38 K CA -0.076 56.293 56.287 0.137 0.000 0.969 38 K CB 0.981 33.566 32.500 0.142 0.000 0.954 38 K HN 0.362 nan 8.250 nan 0.000 0.474 39 L N 1.501 122.795 121.223 0.118 0.000 2.445 39 L HA 0.139 4.479 4.340 -0.000 0.000 0.207 39 L C 1.393 178.149 176.870 -0.190 0.000 1.053 39 L CA 0.780 55.615 54.840 -0.008 0.000 0.841 39 L CB -0.022 42.033 42.059 -0.007 0.000 1.074 39 L HN 0.555 nan 8.230 nan 0.000 0.479 40 F N -0.135 119.825 119.950 0.016 0.000 2.653 40 F HA 0.099 4.626 4.527 0.000 0.000 0.288 40 F C 0.737 176.559 175.800 0.036 0.000 1.121 40 F CA -0.089 57.904 58.000 -0.011 0.000 1.384 40 F CB 0.360 39.316 39.000 -0.074 0.000 1.115 40 F HN 0.125 nan 8.300 nan 0.000 0.599 41 D N -1.278 119.256 120.400 0.224 0.000 2.980 41 D HA 0.031 4.671 4.640 -0.000 0.000 0.333 41 D C -0.438 175.959 176.300 0.161 0.000 1.356 41 D CA -0.115 53.987 54.000 0.170 0.000 0.847 41 D CB -0.619 40.264 40.800 0.137 0.000 1.122 41 D HN -0.035 nan 8.370 nan 0.000 0.475 42 D N 1.466 121.978 120.400 0.187 0.000 2.545 42 D HA 0.029 4.669 4.640 -0.000 0.000 0.227 42 D C 1.208 177.623 176.300 0.193 0.000 1.150 42 D CA -0.167 53.956 54.000 0.205 0.000 1.046 42 D CB 0.572 41.520 40.800 0.247 0.000 1.098 42 D HN 0.075 nan 8.370 nan 0.000 0.502 43 M N 0.783 120.479 119.600 0.160 0.000 2.200 43 M HA -0.124 4.356 4.480 -0.000 0.000 0.265 43 M C 1.788 178.153 176.300 0.108 0.000 1.066 43 M CA 1.016 56.391 55.300 0.125 0.000 1.127 43 M CB -1.193 31.469 32.600 0.102 0.000 1.379 43 M HN 0.482 nan 8.290 nan 0.000 0.420 44 H N 1.028 120.120 119.070 0.036 0.000 2.319 44 H HA -0.083 4.473 4.556 -0.000 0.000 0.297 44 H C 1.926 177.230 175.328 -0.039 0.000 1.097 44 H CA 2.750 58.790 56.048 -0.013 0.000 1.285 44 H CB 0.025 29.777 29.762 -0.016 0.000 1.368 44 H HN 0.325 nan 8.280 nan 0.000 0.495 45 A N -0.225 122.617 122.820 0.036 0.000 2.015 45 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 45 A C 2.587 180.052 177.584 -0.199 0.000 1.163 45 A CA 1.645 53.585 52.037 -0.161 0.000 0.646 45 A CB -0.855 17.844 19.000 -0.502 0.000 0.806 45 A HN 0.671 nan 8.150 nan 0.000 0.448 46 S N -0.299 115.405 115.700 0.008 0.000 2.428 46 S HA -0.088 4.382 4.470 -0.000 0.000 0.230 46 S C 1.890 176.484 174.600 -0.009 0.000 1.014 46 S CA 0.947 59.193 58.200 0.076 0.000 0.957 46 S CB -0.324 62.950 63.200 0.123 0.000 0.784 46 S HN 0.636 nan 8.310 nan 0.000 0.499 47 R N 0.010 120.461 120.500 -0.082 0.000 2.210 47 R HA 0.266 4.606 4.340 -0.000 0.000 0.203 47 R C 1.810 178.007 176.300 -0.172 0.000 1.010 47 R CA 0.769 56.803 56.100 -0.110 0.000 1.008 47 R CB -0.159 30.071 30.300 -0.117 0.000 0.923 47 R HN 0.339 nan 8.270 nan 0.000 0.469 48 V N 0.821 120.574 119.914 -0.267 0.000 2.825 48 V HA 0.075 4.195 4.120 -0.000 0.000 0.246 48 V C 0.815 176.818 176.094 -0.151 0.000 1.068 48 V CA 0.909 63.041 62.300 -0.280 0.000 1.088 48 V CB 0.232 31.738 31.823 -0.529 0.000 0.733 48 V HN 0.149 nan 8.190 nan 0.000 0.468 49 L N 2.104 123.230 121.223 -0.162 0.000 2.445 49 L HA 0.390 4.730 4.340 -0.000 0.000 0.252 49 L C -2.710 174.155 176.870 -0.009 0.000 1.105 49 L CA -1.632 53.128 54.840 -0.133 0.000 0.943 49 L CB 1.179 42.965 42.059 -0.454 0.000 1.277 49 L HN 0.086 nan 8.230 nan 0.000 0.465 50 P HA 0.150 nan 4.420 nan 0.000 0.265 50 P C 0.950 178.362 177.300 0.187 0.000 1.222 50 P CA 0.629 63.791 63.100 0.104 0.000 0.767 50 P CB 1.052 32.804 31.700 0.087 0.000 0.801 51 G N 3.152 112.070 108.800 0.196 0.000 2.380 51 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.197 51 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.197 51 G C -0.177 174.911 174.900 0.313 0.000 1.001 51 G CA -0.688 44.565 45.100 0.255 0.000 0.668 51 G HN 0.475 nan 8.290 nan 0.000 0.483 52 F N 4.523 124.509 119.950 0.059 0.000 2.502 52 F HA 0.495 5.022 4.527 0.000 0.000 0.371 52 F C 1.329 177.113 175.800 -0.026 0.000 1.083 52 F CA 0.628 58.558 58.000 -0.116 0.000 1.174 52 F CB 0.760 39.450 39.000 -0.517 0.000 1.096 52 F HN 0.195 nan 8.300 nan 0.000 0.545 53 T N 4.654 119.146 114.554 -0.103 0.000 2.910 53 T HA 0.224 4.574 4.350 -0.000 0.000 0.293 53 T C -1.833 172.891 174.700 0.039 0.000 1.015 53 T CA -1.690 60.405 62.100 -0.008 0.000 1.094 53 T CB 1.278 70.126 68.868 -0.034 0.000 0.968 53 T HN 0.357 nan 8.240 nan 0.000 0.521 54 P HA -0.142 nan 4.420 nan 0.000 0.217 54 P C 0.936 178.312 177.300 0.126 0.000 1.148 54 P CA 1.258 64.463 63.100 0.175 0.000 0.834 54 P CB 0.008 31.792 31.700 0.140 0.000 0.783 55 D N -2.504 117.921 120.400 0.041 0.000 2.463 55 D HA 0.032 4.672 4.640 -0.000 0.000 0.224 55 D C 0.963 177.194 176.300 -0.115 0.000 1.174 55 D CA -0.229 53.751 54.000 -0.034 0.000 0.829 55 D CB -1.314 39.515 40.800 0.048 0.000 0.993 55 D HN 0.106 nan 8.370 nan 0.000 0.497 56 N N 0.998 119.570 118.700 -0.214 0.000 2.289 56 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 56 N C 1.533 177.008 175.510 -0.059 0.000 1.016 56 N CA 0.976 53.834 53.050 -0.318 0.000 0.872 56 N CB 0.172 38.004 38.487 -1.091 0.000 0.973 56 N HN 0.138 nan 8.380 nan 0.000 0.433 57 K N 0.027 120.436 120.400 0.015 0.000 2.097 57 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 57 K C 1.435 177.979 176.600 -0.094 0.000 1.050 57 K CA 0.750 57.101 56.287 0.106 0.000 0.938 57 K CB 0.137 32.746 32.500 0.181 0.000 0.718 57 K HN 0.219 nan 8.250 nan 0.000 0.442 58 I N 0.998 121.453 120.570 -0.192 0.000 2.406 58 I HA -0.090 4.080 4.170 -0.000 0.000 0.249 58 I C 2.414 178.541 176.117 0.018 0.000 1.122 58 I CA 0.957 62.131 61.300 -0.209 0.000 1.431 58 I CB -1.378 36.302 38.000 -0.533 0.000 1.087 58 I HN 0.034 nan 8.210 nan 0.000 0.424 59 A N 0.943 123.763 122.820 0.000 0.000 2.015 59 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 59 A C 2.357 179.962 177.584 0.035 0.000 1.163 59 A CA 1.259 53.321 52.037 0.042 0.000 0.646 59 A CB -0.562 18.448 19.000 0.016 0.000 0.806 59 A HN 0.364 nan 8.150 nan 0.000 0.448 60 M N -0.153 119.451 119.600 0.007 0.000 2.099 60 M HA -0.076 4.404 4.480 -0.000 0.000 0.262 60 M C 1.796 178.084 176.300 -0.019 0.000 1.067 60 M CA 1.792 57.060 55.300 -0.053 0.000 1.124 60 M CB -0.698 31.820 32.600 -0.137 0.000 1.353 60 M HN 0.412 nan 8.290 nan 0.000 0.410 61 L N -0.073 121.171 121.223 0.034 0.000 2.217 61 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 61 L C 1.993 179.019 176.870 0.260 0.000 1.107 61 L CA 0.973 55.898 54.840 0.142 0.000 0.783 61 L CB -0.849 41.304 42.059 0.156 0.000 0.919 61 L HN 0.241 nan 8.230 nan 0.000 0.442 62 D N 0.215 120.767 120.400 0.255 0.000 2.263 62 D HA -0.194 4.446 4.640 -0.000 0.000 0.208 62 D C 2.232 178.517 176.300 -0.026 0.000 0.971 62 D CA 0.628 54.666 54.000 0.063 0.000 0.867 62 D CB 0.161 41.009 40.800 0.080 0.000 0.929 62 D HN -0.009 nan 8.370 nan 0.000 0.492 63 R N 0.618 121.119 120.500 0.002 0.000 2.092 63 R HA -0.004 4.336 4.340 -0.000 0.000 0.231 63 R C 1.718 178.001 176.300 -0.028 0.000 1.119 63 R CA 1.348 57.436 56.100 -0.020 0.000 0.970 63 R CB -0.438 29.849 30.300 -0.022 0.000 0.864 63 R HN 0.421 nan 8.270 nan 0.000 0.440 64 I N -1.426 119.137 120.570 -0.011 0.000 3.856 64 I HA 0.266 4.436 4.170 -0.000 0.000 0.330 64 I C 0.785 176.897 176.117 -0.009 0.000 1.546 64 I CA -0.444 60.848 61.300 -0.013 0.000 1.132 64 I CB 0.454 38.449 38.000 -0.009 0.000 1.157 64 I HN -0.018 nan 8.210 nan 0.000 0.440 65 K N 0.227 120.591 120.400 -0.061 0.000 2.211 65 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 65 K C 0.771 177.313 176.600 -0.098 0.000 1.047 65 K CA 1.832 58.028 56.287 -0.152 0.000 0.935 65 K CB -0.356 31.782 32.500 -0.602 0.000 0.728 65 K HN 0.387 nan 8.250 nan 0.000 0.452 66 D N 1.069 121.421 120.400 -0.079 0.000 2.355 66 D HA -0.055 4.585 4.640 -0.000 0.000 0.218 66 D C 0.673 176.956 176.300 -0.028 0.000 1.004 66 D CA 0.784 54.752 54.000 -0.054 0.000 0.880 66 D CB 0.294 41.062 40.800 -0.054 0.000 0.911 66 D HN 0.528 nan 8.370 nan 0.000 0.528 67 E N 0.032 120.221 120.200 -0.019 0.000 2.498 67 E HA 0.123 4.473 4.350 -0.000 0.000 0.203 67 E C -0.254 176.339 176.600 -0.010 0.000 1.013 67 E CA -0.050 56.340 56.400 -0.017 0.000 0.927 67 E CB 1.511 31.198 29.700 -0.021 0.000 1.012 67 E HN -0.089 nan 8.360 nan 0.000 0.482 68 V N 1.604 121.532 119.914 0.023 0.000 2.448 68 V HA 0.267 4.387 4.120 -0.000 0.000 0.295 68 V C -0.484 175.647 176.094 0.061 0.000 1.025 68 V CA -0.753 61.577 62.300 0.049 0.000 0.859 68 V CB 1.822 33.738 31.823 0.154 0.000 0.988 68 V HN 0.066 nan 8.190 nan 0.000 0.431 69 E N 4.796 124.986 120.200 -0.016 0.000 2.199 69 E HA 0.492 4.842 4.350 -0.000 0.000 0.265 69 E C -1.278 175.253 176.600 -0.115 0.000 0.882 69 E CA -0.746 55.636 56.400 -0.031 0.000 0.759 69 E CB 1.449 31.132 29.700 -0.027 0.000 1.148 69 E HN 0.502 nan 8.360 nan 0.000 0.412 70 I N 5.246 125.706 120.570 -0.183 0.000 2.365 70 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 70 I C -0.057 175.944 176.117 -0.194 0.000 1.004 70 I CA -0.570 60.522 61.300 -0.346 0.000 1.311 70 I CB 0.823 38.340 38.000 -0.804 0.000 1.401 70 I HN 0.610 nan 8.210 nan 0.000 0.491 71 L N 6.996 128.132 121.223 -0.145 0.000 2.362 71 L HA 0.563 4.903 4.340 -0.000 0.000 0.275 71 L C -0.968 175.871 176.870 -0.051 0.000 0.998 71 L CA -0.531 54.279 54.840 -0.050 0.000 0.820 71 L CB 1.873 43.936 42.059 0.006 0.000 1.270 71 L HN 0.281 nan 8.230 nan 0.000 0.415 72 V N 4.413 124.315 119.914 -0.021 0.000 2.347 72 V HA 0.312 4.433 4.120 -0.000 0.000 0.280 72 V C 0.033 176.140 176.094 0.021 0.000 1.021 72 V CA -0.590 61.714 62.300 0.008 0.000 0.847 72 V CB 1.053 32.897 31.823 0.035 0.000 0.990 72 V HN 0.845 nan 8.190 nan 0.000 0.444 73 C N 5.622 124.937 119.300 0.025 0.000 2.520 73 C HA 0.702 5.162 4.460 -0.000 0.000 0.376 73 C C 0.211 175.242 174.990 0.067 0.000 1.268 73 C CA -0.435 58.598 59.018 0.024 0.000 2.414 73 C CB 0.468 28.221 27.740 0.021 0.000 2.521 73 C HN 0.891 nan 8.230 nan 0.000 0.618 74 I N 2.423 123.041 120.570 0.079 0.000 2.649 74 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 74 I C -0.922 175.260 176.117 0.108 0.000 1.222 74 I CA -0.185 61.190 61.300 0.126 0.000 1.046 74 I CB 1.059 39.164 38.000 0.175 0.000 1.272 74 I HN 0.684 nan 8.210 nan 0.000 0.425 75 N N 5.432 124.202 118.700 0.116 0.000 2.452 75 N HA 0.281 5.021 4.740 -0.000 0.000 0.266 75 N C 0.840 176.384 175.510 0.057 0.000 1.209 75 N CA 0.826 53.922 53.050 0.077 0.000 0.929 75 N CB 1.767 40.294 38.487 0.066 0.000 1.063 75 N HN 0.705 nan 8.380 nan 0.000 0.472 76 A N 4.223 127.075 122.820 0.052 0.000 2.119 76 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 76 A C 1.543 179.130 177.584 0.005 0.000 1.153 76 A CA 1.009 53.072 52.037 0.043 0.000 0.692 76 A CB -0.125 18.911 19.000 0.061 0.000 0.799 76 A HN 0.765 nan 8.150 nan 0.000 0.458 77 K N -0.305 120.094 120.400 -0.002 0.000 2.444 77 K HA 0.023 4.343 4.320 -0.000 0.000 0.193 77 K C 0.097 176.665 176.600 -0.054 0.000 1.024 77 K CA 0.410 56.685 56.287 -0.020 0.000 1.077 77 K CB 0.168 32.664 32.500 -0.008 0.000 0.833 77 K HN 0.246 nan 8.250 nan 0.000 0.517 78 D N 0.820 121.175 120.400 -0.074 0.000 2.349 78 D HA 0.025 4.665 4.640 -0.000 0.000 0.215 78 D C 1.547 177.745 176.300 -0.171 0.000 1.016 78 D CA 0.472 54.383 54.000 -0.147 0.000 0.870 78 D CB 0.301 40.983 40.800 -0.197 0.000 0.917 78 D HN 0.134 nan 8.370 nan 0.000 0.524 79 L N 0.288 121.413 121.223 -0.164 0.000 2.102 79 L HA -0.003 4.337 4.340 -0.000 0.000 0.202 79 L C 2.071 178.707 176.870 -0.390 0.000 1.076 79 L CA 0.859 55.529 54.840 -0.283 0.000 0.761 79 L CB -0.151 41.778 42.059 -0.217 0.000 0.921 79 L HN -0.092 nan 8.230 nan 0.000 0.444 80 E N -0.033 120.063 120.200 -0.173 0.000 2.152 80 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 80 E C 2.151 178.800 176.600 0.080 0.000 0.983 80 E CA 0.529 56.902 56.400 -0.045 0.000 0.818 80 E CB -0.066 29.634 29.700 0.000 0.000 0.758 80 E HN 0.277 nan 8.360 nan 0.000 0.467 81 R N 0.408 120.912 120.500 0.006 0.000 2.189 81 R HA -0.102 4.238 4.340 -0.000 0.000 0.218 81 R C -0.103 176.263 176.300 0.110 0.000 1.074 81 R CA 0.735 56.856 56.100 0.036 0.000 0.991 81 R CB -0.135 30.142 30.300 -0.038 0.000 0.883 81 R HN 0.224 nan 8.270 nan 0.000 0.457 82 H N -0.653 118.375 119.070 -0.069 0.000 2.756 82 H HA -0.164 4.392 4.556 -0.000 0.000 0.315 82 H C -0.550 174.731 175.328 -0.078 0.000 1.210 82 H CA 1.162 57.172 56.048 -0.062 0.000 1.150 82 H CB -1.339 28.400 29.762 -0.039 0.000 1.463 82 H HN 0.194 nan 8.280 nan 0.000 0.427 83 K N 1.295 121.632 120.400 -0.104 0.000 2.451 83 K HA 0.265 4.585 4.320 -0.000 0.000 0.280 83 K C 0.259 176.793 176.600 -0.109 0.000 1.020 83 K CA -0.164 55.984 56.287 -0.231 0.000 1.008 83 K CB 0.354 32.513 32.500 -0.568 0.000 0.917 83 K HN 0.394 nan 8.250 nan 0.000 0.478 84 I N 0.669 121.250 120.570 0.018 0.000 2.493 84 I HA 0.422 4.592 4.170 -0.000 0.000 0.298 84 I C -0.286 176.028 176.117 0.328 0.000 0.998 84 I CA -0.853 60.564 61.300 0.195 0.000 1.137 84 I CB 1.761 39.828 38.000 0.112 0.000 1.310 84 I HN 0.437 nan 8.210 nan 0.000 0.445 85 R N 3.957 124.672 120.500 0.359 0.000 2.248 85 R HA 0.486 4.826 4.340 -0.000 0.000 0.328 85 R C 0.856 177.236 176.300 0.132 0.000 1.067 85 R CA 0.271 56.514 56.100 0.240 0.000 0.924 85 R CB 1.222 31.540 30.300 0.029 0.000 1.013 85 R HN 1.016 nan 8.270 nan 0.000 0.454 86 A N 3.568 126.460 122.820 0.119 0.000 2.014 86 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 86 A C 1.593 179.212 177.584 0.058 0.000 1.163 86 A CA 1.502 53.586 52.037 0.077 0.000 0.652 86 A CB -0.217 18.823 19.000 0.068 0.000 0.808 86 A HN 0.884 nan 8.150 nan 0.000 0.449 87 D N -0.678 119.756 120.400 0.057 0.000 2.178 87 D HA -0.059 4.581 4.640 -0.000 0.000 0.202 87 D C 1.700 178.023 176.300 0.038 0.000 0.974 87 D CA 1.199 55.227 54.000 0.045 0.000 0.841 87 D CB 0.034 40.862 40.800 0.046 0.000 0.953 87 D HN 0.456 nan 8.370 nan 0.000 0.478 88 L N -2.259 118.985 121.223 0.035 0.000 2.488 88 L HA 0.387 4.727 4.340 -0.000 0.000 0.186 88 L C 1.489 178.376 176.870 0.028 0.000 1.124 88 L CA 0.500 55.356 54.840 0.026 0.000 0.838 88 L CB 0.352 42.420 42.059 0.014 0.000 1.107 88 L HN 0.186 nan 8.230 nan 0.000 0.494 89 G N 0.865 109.687 108.800 0.036 0.000 2.165 89 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.144 89 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.144 89 G C -0.206 174.718 174.900 0.040 0.000 1.049 89 G CA -0.026 45.097 45.100 0.038 0.000 0.741 89 G HN 0.277 nan 8.290 nan 0.000 0.493 90 I N -1.537 119.061 120.570 0.045 0.000 3.067 90 I HA 0.906 5.076 4.170 -0.000 0.000 0.312 90 I C 0.682 176.847 176.117 0.081 0.000 1.073 90 I CA -0.839 60.489 61.300 0.048 0.000 1.016 90 I CB 1.812 39.828 38.000 0.027 0.000 1.227 90 I HN 0.213 nan 8.210 nan 0.000 0.456 91 S N 0.961 116.709 115.700 0.080 0.000 2.624 91 S HA 0.239 4.709 4.470 -0.000 0.000 0.263 91 S C 0.607 175.299 174.600 0.155 0.000 1.287 91 S CA -0.163 58.109 58.200 0.121 0.000 0.990 91 S CB 0.401 63.638 63.200 0.061 0.000 0.950 91 S HN 0.625 nan 8.310 nan 0.000 0.561 92 Y N 0.250 120.518 120.300 -0.053 0.000 2.421 92 Y HA 0.027 4.577 4.550 -0.000 0.000 0.292 92 Y C 2.530 178.370 175.900 -0.102 0.000 1.136 92 Y CA 1.128 59.197 58.100 -0.051 0.000 1.255 92 Y CB -0.525 37.909 38.460 -0.044 0.000 0.991 92 Y HN 0.902 nan 8.280 nan 0.000 0.552 93 E N 0.482 120.643 120.200 -0.066 0.000 2.015 93 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 93 E C 1.529 178.040 176.600 -0.148 0.000 0.991 93 E CA 1.522 57.724 56.400 -0.330 0.000 0.802 93 E CB -0.021 29.378 29.700 -0.500 0.000 0.759 93 E HN 0.507 nan 8.360 nan 0.000 0.447 94 E N 0.162 120.323 120.200 -0.065 0.000 2.347 94 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 94 E C 1.412 178.024 176.600 0.021 0.000 1.008 94 E CA 0.876 57.280 56.400 0.007 0.000 0.852 94 E CB 0.040 29.746 29.700 0.010 0.000 0.783 94 E HN 0.285 nan 8.360 nan 0.000 0.505 95 D N -0.605 119.795 120.400 -0.002 0.000 2.183 95 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 95 D C 1.688 177.998 176.300 0.017 0.000 0.969 95 D CA 0.539 54.526 54.000 -0.022 0.000 0.842 95 D CB 0.339 41.073 40.800 -0.110 0.000 0.957 95 D HN -0.055 nan 8.370 nan 0.000 0.484 96 V N 0.204 120.155 119.914 0.062 0.000 2.307 96 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 96 V C 2.338 178.512 176.094 0.133 0.000 1.045 96 V CA 1.172 63.548 62.300 0.126 0.000 1.024 96 V CB -0.400 31.563 31.823 0.233 0.000 0.651 96 V HN 0.251 nan 8.190 nan 0.000 0.449 97 L N -0.386 120.926 121.223 0.148 0.000 2.083 97 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 97 L C 2.608 179.519 176.870 0.068 0.000 1.083 97 L CA 1.810 56.718 54.840 0.113 0.000 0.752 97 L CB -0.684 41.449 42.059 0.123 0.000 0.899 97 L HN 0.177 nan 8.230 nan 0.000 0.433 98 R N -0.266 120.261 120.500 0.045 0.000 2.115 98 R HA -0.117 4.223 4.340 -0.000 0.000 0.230 98 R C 2.196 178.494 176.300 -0.003 0.000 1.111 98 R CA 1.163 57.265 56.100 0.003 0.000 0.976 98 R CB -0.152 30.138 30.300 -0.017 0.000 0.870 98 R HN 0.360 nan 8.270 nan 0.000 0.445 99 L N -0.267 120.990 121.223 0.057 0.000 2.131 99 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 99 L C 2.328 179.344 176.870 0.243 0.000 1.087 99 L CA 0.579 55.506 54.840 0.146 0.000 0.767 99 L CB -0.160 42.020 42.059 0.202 0.000 0.917 99 L HN 0.031 nan 8.230 nan 0.000 0.441 100 V N 0.949 120.962 119.914 0.166 0.000 2.307 100 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 100 V C 2.154 178.339 176.094 0.152 0.000 1.045 100 V CA 2.212 64.606 62.300 0.158 0.000 1.024 100 V CB -0.595 31.281 31.823 0.087 0.000 0.651 100 V HN 0.642 nan 8.190 nan 0.000 0.449 101 D N -0.682 119.769 120.400 0.085 0.000 2.277 101 D HA -0.106 4.534 4.640 -0.000 0.000 0.208 101 D C 1.889 178.205 176.300 0.026 0.000 0.962 101 D CA 0.896 54.929 54.000 0.055 0.000 0.865 101 D CB -0.385 40.430 40.800 0.024 0.000 0.939 101 D HN 0.291 nan 8.370 nan 0.000 0.510 102 V N -0.861 119.032 119.914 -0.035 0.000 2.719 102 V HA -0.055 4.065 4.120 -0.000 0.000 0.252 102 V C 1.569 177.591 176.094 -0.120 0.000 1.065 102 V CA 1.011 63.193 62.300 -0.197 0.000 1.086 102 V CB -0.499 31.030 31.823 -0.490 0.000 0.700 102 V HN 0.005 nan 8.190 nan 0.000 0.467 103 F N 0.287 120.282 119.950 0.075 0.000 2.270 103 F HA 0.098 4.625 4.527 -0.000 0.000 0.295 103 F C 2.450 178.400 175.800 0.250 0.000 1.087 103 F CA 1.168 59.290 58.000 0.203 0.000 1.365 103 F CB -0.252 38.816 39.000 0.112 0.000 1.056 103 F HN 0.006 nan 8.300 nan 0.000 0.506 104 R N 0.303 120.998 120.500 0.324 0.000 2.148 104 R HA -0.135 4.205 4.340 -0.000 0.000 0.227 104 R C 1.709 178.096 176.300 0.146 0.000 1.103 104 R CA 1.253 57.477 56.100 0.206 0.000 0.983 104 R CB -0.522 29.852 30.300 0.124 0.000 0.874 104 R HN 0.097 nan 8.270 nan 0.000 0.451 105 D N 0.031 120.502 120.400 0.117 0.000 2.116 105 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 105 D C 1.274 177.628 176.300 0.091 0.000 0.998 105 D CA 1.311 55.353 54.000 0.070 0.000 0.836 105 D CB 0.069 40.880 40.800 0.019 0.000 0.951 105 D HN 0.098 nan 8.370 nan 0.000 0.449 106 R N -0.927 119.676 120.500 0.173 0.000 2.320 106 R HA 0.216 4.556 4.340 -0.000 0.000 0.211 106 R C 1.030 177.354 176.300 0.040 0.000 0.931 106 R CA 0.521 56.718 56.100 0.162 0.000 1.071 106 R CB 0.332 30.841 30.300 0.348 0.000 1.025 106 R HN 0.193 nan 8.270 nan 0.000 0.495 107 G N 0.959 109.806 108.800 0.078 0.000 2.160 107 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.251 107 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.251 107 G C -0.024 174.844 174.900 -0.053 0.000 1.008 107 G CA -0.264 44.832 45.100 -0.007 0.000 0.724 107 G HN 0.232 nan 8.290 nan 0.000 0.514 108 F N -0.326 119.697 119.950 0.123 0.000 2.471 108 F HA 0.408 4.935 4.527 -0.000 0.000 0.353 108 F C 1.171 177.000 175.800 0.048 0.000 1.113 108 F CA -0.713 57.350 58.000 0.105 0.000 1.262 108 F CB 0.886 40.012 39.000 0.209 0.000 1.146 108 F HN -0.002 nan 8.300 nan 0.000 0.578 109 L N 5.575 126.908 121.223 0.182 0.000 2.363 109 L HA 0.280 4.620 4.340 -0.000 0.000 0.286 109 L C -0.921 175.982 176.870 0.054 0.000 1.106 109 L CA -0.065 54.825 54.840 0.083 0.000 0.859 109 L CB -0.112 41.969 42.059 0.037 0.000 1.223 109 L HN 0.279 nan 8.230 nan 0.000 0.446 110 V N 6.338 126.276 119.914 0.040 0.000 2.384 110 V HA 0.325 4.445 4.120 -0.000 0.000 0.287 110 V C 0.608 176.679 176.094 -0.039 0.000 1.020 110 V CA -0.385 61.911 62.300 -0.008 0.000 0.850 110 V CB 1.574 33.405 31.823 0.013 0.000 0.987 110 V HN 0.850 nan 8.190 nan 0.000 0.436 111 E N 2.734 122.884 120.200 -0.083 0.000 2.703 111 E HA 0.218 4.568 4.350 -0.000 0.000 0.214 111 E C -0.353 176.025 176.600 -0.370 0.000 0.944 111 E CA -0.490 55.786 56.400 -0.206 0.000 1.299 111 E CB 0.675 30.229 29.700 -0.244 0.000 1.189 111 E HN 0.656 nan 8.360 nan 0.000 0.597 112 H N 0.587 119.617 119.070 -0.068 0.000 2.667 112 H HA 0.517 5.073 4.556 0.000 0.000 0.353 112 H C -1.302 173.981 175.328 -0.074 0.000 1.072 112 H CA -0.712 55.290 56.048 -0.078 0.000 1.214 112 H CB 2.342 32.054 29.762 -0.084 0.000 1.600 112 H HN -0.088 nan 8.280 nan 0.000 0.527 113 V N 4.094 124.046 119.914 0.064 0.000 2.531 113 V HA 0.218 4.338 4.120 -0.000 0.000 0.301 113 V C -0.224 175.864 176.094 -0.009 0.000 1.034 113 V CA -0.762 61.545 62.300 0.013 0.000 0.865 113 V CB 2.353 34.163 31.823 -0.021 0.000 0.995 113 V HN 0.444 nan 8.190 nan 0.000 0.424 114 V N 6.345 126.230 119.914 -0.049 0.000 2.370 114 V HA 0.414 4.534 4.120 -0.000 0.000 0.283 114 V C -0.282 175.770 176.094 -0.071 0.000 1.023 114 V CA -0.502 61.717 62.300 -0.136 0.000 0.857 114 V CB 1.561 33.187 31.823 -0.328 0.000 0.985 114 V HN 0.627 nan 8.190 nan 0.000 0.443 115 L N 6.109 127.319 121.223 -0.023 0.000 2.302 115 L HA 0.345 4.685 4.340 -0.000 0.000 0.285 115 L C 0.962 177.865 176.870 0.055 0.000 1.090 115 L CA 0.330 55.197 54.840 0.045 0.000 0.866 115 L CB 1.159 43.268 42.059 0.084 0.000 1.244 115 L HN 0.864 nan 8.230 nan 0.000 0.435 116 T N -0.286 114.292 114.554 0.041 0.000 2.899 116 T HA 0.290 4.640 4.350 -0.000 0.000 0.295 116 T C 0.619 175.361 174.700 0.070 0.000 1.033 116 T CA -0.470 61.675 62.100 0.075 0.000 1.084 116 T CB 1.158 70.054 68.868 0.046 0.000 0.979 116 T HN 0.526 nan 8.240 nan 0.000 0.532 117 Q N -0.996 118.843 119.800 0.064 0.000 2.503 117 Q HA -0.149 4.191 4.340 -0.000 0.000 0.267 117 Q C -0.349 175.678 176.000 0.044 0.000 1.030 117 Q CA 0.400 56.226 55.803 0.039 0.000 1.041 117 Q CB -1.971 26.782 28.738 0.026 0.000 1.406 117 Q HN 0.810 nan 8.270 nan 0.000 0.524 118 L N 0.753 122.013 121.223 0.061 0.000 2.410 118 L HA 0.314 4.654 4.340 -0.000 0.000 0.273 118 L C 0.106 177.002 176.870 0.044 0.000 1.152 118 L CA 0.358 55.233 54.840 0.057 0.000 0.855 118 L CB 0.599 42.701 42.059 0.072 0.000 1.129 118 L HN 0.171 nan 8.230 nan 0.000 0.463 119 E N 2.346 122.568 120.200 0.037 0.000 2.393 119 E HA 0.256 4.606 4.350 -0.000 0.000 0.273 119 E C -0.089 176.529 176.600 0.030 0.000 0.918 119 E CA -0.828 55.590 56.400 0.030 0.000 0.773 119 E CB 1.424 31.138 29.700 0.023 0.000 1.275 119 E HN 0.564 nan 8.360 nan 0.000 0.451 120 N N 1.084 119.800 118.700 0.026 0.000 2.381 120 N HA -0.124 4.616 4.740 -0.000 0.000 0.182 120 N C 0.388 175.912 175.510 0.024 0.000 1.025 120 N CA 0.870 53.935 53.050 0.025 0.000 0.888 120 N CB 0.031 38.531 38.487 0.022 0.000 0.965 120 N HN 0.451 nan 8.380 nan 0.000 0.438 121 D N 0.559 120.972 120.400 0.022 0.000 2.269 121 D HA -0.052 4.588 4.640 -0.000 0.000 0.208 121 D C -0.199 176.114 176.300 0.023 0.000 0.963 121 D CA 0.599 54.612 54.000 0.020 0.000 0.864 121 D CB -0.169 40.641 40.800 0.018 0.000 0.936 121 D HN 0.243 nan 8.370 nan 0.000 0.505 122 N N 1.658 120.373 118.700 0.026 0.000 2.414 122 N HA 0.083 4.823 4.740 -0.000 0.000 0.256 122 N C 1.231 176.761 175.510 0.034 0.000 1.029 122 N CA -0.117 52.950 53.050 0.028 0.000 0.948 122 N CB 1.548 40.051 38.487 0.026 0.000 1.102 122 N HN 0.302 nan 8.380 nan 0.000 0.496 123 R N 2.004 122.524 120.500 0.034 0.000 2.282 123 R HA 0.210 4.550 4.340 -0.000 0.000 0.195 123 R C 1.116 177.444 176.300 0.046 0.000 0.909 123 R CA -0.068 56.056 56.100 0.038 0.000 1.039 123 R CB -0.141 30.179 30.300 0.034 0.000 1.015 123 R HN 0.357 nan 8.270 nan 0.000 0.513 124 L N 1.046 122.294 121.223 0.041 0.000 2.240 124 L HA 0.080 4.420 4.340 -0.000 0.000 0.211 124 L C 2.445 179.350 176.870 0.059 0.000 1.106 124 L CA 1.091 55.955 54.840 0.039 0.000 0.793 124 L CB -0.183 41.880 42.059 0.007 0.000 0.927 124 L HN 0.364 nan 8.230 nan 0.000 0.446 125 A N -0.414 122.441 122.820 0.059 0.000 1.873 125 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 125 A C 2.034 179.698 177.584 0.132 0.000 1.186 125 A CA 1.074 53.172 52.037 0.102 0.000 0.616 125 A CB -0.547 18.496 19.000 0.073 0.000 0.823 125 A HN 0.324 nan 8.150 nan 0.000 0.442 126 L N -0.710 120.565 121.223 0.087 0.000 2.291 126 L HA -0.077 4.263 4.340 -0.000 0.000 0.214 126 L C 2.792 179.707 176.870 0.075 0.000 1.120 126 L CA 1.601 56.482 54.840 0.069 0.000 0.799 126 L CB -1.282 40.806 42.059 0.048 0.000 0.925 126 L HN 0.480 nan 8.230 nan 0.000 0.446 127 A N -1.236 121.642 122.820 0.097 0.000 2.014 127 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 127 A C 2.039 179.722 177.584 0.165 0.000 1.163 127 A CA 0.699 52.798 52.037 0.103 0.000 0.652 127 A CB -0.501 18.555 19.000 0.093 0.000 0.808 127 A HN 0.337 nan 8.150 nan 0.000 0.449 128 F N 0.668 120.622 119.950 0.006 0.000 2.367 128 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 128 F C 1.844 177.649 175.800 0.007 0.000 1.094 128 F CA 0.122 58.126 58.000 0.006 0.000 1.409 128 F CB -0.030 38.971 39.000 0.002 0.000 1.064 128 F HN 0.100 nan 8.300 nan 0.000 0.528 129 I N 1.188 121.731 120.570 -0.044 0.000 2.127 129 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 129 I C 2.402 178.441 176.117 -0.130 0.000 1.075 129 I CA 2.018 63.242 61.300 -0.127 0.000 1.334 129 I CB -1.600 36.380 38.000 -0.033 0.000 1.040 129 I HN 0.325 nan 8.210 nan 0.000 0.405 130 E N 0.917 121.083 120.200 -0.057 0.000 2.274 130 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 130 E C 2.280 178.849 176.600 -0.051 0.000 0.996 130 E CA 0.561 56.935 56.400 -0.042 0.000 0.840 130 E CB -0.346 29.349 29.700 -0.008 0.000 0.772 130 E HN 0.404 nan 8.360 nan 0.000 0.491 131 R N 0.619 121.084 120.500 -0.057 0.000 2.153 131 R HA 0.061 4.401 4.340 -0.000 0.000 0.218 131 R C 2.197 178.425 176.300 -0.120 0.000 1.072 131 R CA 0.516 56.591 56.100 -0.041 0.000 0.990 131 R CB 0.039 30.377 30.300 0.064 0.000 0.889 131 R HN 0.281 nan 8.270 nan 0.000 0.452 132 L N 0.036 121.106 121.223 -0.255 0.000 2.209 132 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 132 L C 2.229 179.001 176.870 -0.163 0.000 1.094 132 L CA 0.863 55.539 54.840 -0.275 0.000 0.790 132 L CB -0.115 41.669 42.059 -0.459 0.000 0.932 132 L HN 0.196 nan 8.230 nan 0.000 0.447 133 Q N -0.230 119.489 119.800 -0.134 0.000 2.224 133 Q HA -0.162 4.178 4.340 -0.000 0.000 0.203 133 Q C 2.105 178.064 176.000 -0.069 0.000 0.970 133 Q CA 1.135 56.882 55.803 -0.093 0.000 0.865 133 Q CB 0.059 28.754 28.738 -0.072 0.000 0.922 133 Q HN 0.437 nan 8.270 nan 0.000 0.445 134 R N -0.337 120.127 120.500 -0.061 0.000 2.200 134 R HA 0.063 4.403 4.340 -0.000 0.000 0.208 134 R C 1.721 177.999 176.300 -0.037 0.000 1.033 134 R CA 0.315 56.392 56.100 -0.040 0.000 1.000 134 R CB 0.193 30.477 30.300 -0.026 0.000 0.906 134 R HN 0.168 nan 8.270 nan 0.000 0.462 135 L N -0.473 120.721 121.223 -0.049 0.000 2.492 135 L HA 0.100 4.440 4.340 -0.000 0.000 0.223 135 L C 1.067 177.912 176.870 -0.042 0.000 1.132 135 L CA 1.379 56.196 54.840 -0.038 0.000 0.850 135 L CB -0.038 41.997 42.059 -0.039 0.000 0.966 135 L HN 0.542 nan 8.230 nan 0.000 0.454 136 G N 0.742 109.507 108.800 -0.057 0.000 2.192 136 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.193 136 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.193 136 G C 0.202 175.050 174.900 -0.087 0.000 0.999 136 G CA 0.106 45.170 45.100 -0.061 0.000 0.659 136 G HN 0.336 nan 8.290 nan 0.000 0.503 137 I N -1.490 119.017 120.570 -0.104 0.000 2.498 137 I HA 0.783 4.953 4.170 -0.000 0.000 0.301 137 I C 0.069 176.087 176.117 -0.165 0.000 0.984 137 I CA -1.588 59.625 61.300 -0.145 0.000 1.204 137 I CB 1.236 39.161 38.000 -0.124 0.000 1.362 137 I HN -0.052 nan 8.210 nan 0.000 0.471 138 K N 4.089 124.340 120.400 -0.249 0.000 2.312 138 K HA 0.448 4.768 4.320 -0.000 0.000 0.287 138 K C -0.939 175.615 176.600 -0.076 0.000 1.062 138 K CA -0.564 55.605 56.287 -0.196 0.000 0.934 138 K CB 1.602 33.922 32.500 -0.300 0.000 1.027 138 K HN 0.591 nan 8.250 nan 0.000 0.478 139 V N 3.489 123.378 119.914 -0.041 0.000 2.347 139 V HA 0.243 4.363 4.120 -0.000 0.000 0.280 139 V C -0.707 175.396 176.094 0.016 0.000 1.021 139 V CA -0.285 62.003 62.300 -0.020 0.000 0.847 139 V CB 1.445 33.215 31.823 -0.088 0.000 0.990 139 V HN 0.716 nan 8.190 nan 0.000 0.444 140 S N 6.823 122.543 115.700 0.034 0.000 2.554 140 S HA 0.619 5.089 4.470 -0.000 0.000 0.278 140 S C -0.274 174.367 174.600 0.068 0.000 1.242 140 S CA -0.648 57.575 58.200 0.040 0.000 1.051 140 S CB 1.094 64.299 63.200 0.008 0.000 0.986 140 S HN 0.810 nan 8.310 nan 0.000 0.502 141 R N 2.003 122.573 120.500 0.116 0.000 2.255 141 R HA 0.384 4.724 4.340 -0.000 0.000 0.326 141 R C -0.470 175.978 176.300 0.248 0.000 0.986 141 R CA -0.326 55.855 56.100 0.136 0.000 0.847 141 R CB 0.741 31.090 30.300 0.081 0.000 1.111 141 R HN 0.669 nan 8.270 nan 0.000 0.452 142 H N 2.445 121.529 119.070 0.023 0.000 2.469 142 H HA 0.417 4.973 4.556 -0.000 0.000 0.342 142 H C 0.053 175.397 175.328 0.027 0.000 1.115 142 H CA -1.038 55.028 56.048 0.030 0.000 1.204 142 H CB 1.566 31.340 29.762 0.020 0.000 1.492 142 H HN 0.245 nan 8.280 nan 0.000 0.499 143 R N 1.254 121.796 120.500 0.070 0.000 2.719 143 R HA 0.400 4.740 4.340 -0.000 0.000 0.233 143 R C -0.494 175.812 176.300 0.010 0.000 1.257 143 R CA -0.997 55.125 56.100 0.036 0.000 1.109 143 R CB 1.004 31.312 30.300 0.015 0.000 1.447 143 R HN 0.258 nan 8.270 nan 0.000 0.537 144 V N 1.613 121.524 119.914 -0.005 0.000 2.567 144 V HA 0.414 4.534 4.120 -0.000 0.000 0.289 144 V C 0.556 176.626 176.094 -0.040 0.000 1.049 144 V CA -0.608 61.675 62.300 -0.029 0.000 0.969 144 V CB 1.134 32.951 31.823 -0.010 0.000 0.995 144 V HN 0.455 nan 8.190 nan 0.000 0.471 145 I N 6.013 126.544 120.570 -0.066 0.000 2.362 145 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 145 I C -1.057 175.067 176.117 0.010 0.000 0.994 145 I CA -1.665 59.609 61.300 -0.043 0.000 1.158 145 I CB 2.206 40.162 38.000 -0.073 0.000 1.315 145 I HN 0.503 nan 8.210 nan 0.000 0.451 146 P HA -0.124 nan 4.420 nan 0.000 0.215 146 P C 1.234 178.544 177.300 0.016 0.000 1.153 146 P CA 1.250 64.354 63.100 0.007 0.000 0.853 146 P CB 0.249 31.944 31.700 -0.008 0.000 0.788 147 G N -2.475 106.329 108.800 0.007 0.000 3.042 147 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.212 147 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.212 147 G C 0.043 174.940 174.900 -0.005 0.000 1.166 147 G CA -0.256 44.836 45.100 -0.013 0.000 0.767 147 G HN 0.216 nan 8.290 nan 0.000 0.546 148 Y N 2.226 122.472 120.300 -0.090 0.000 2.425 148 Y HA 0.286 4.836 4.550 0.000 0.000 0.331 148 Y C -0.728 175.139 175.900 -0.055 0.000 1.157 148 Y CA -1.489 56.556 58.100 -0.091 0.000 1.372 148 Y CB 1.692 40.100 38.460 -0.086 0.000 1.253 148 Y HN 0.024 nan 8.280 nan 0.000 0.536 149 P HA 0.005 nan 4.420 nan 0.000 0.252 149 P C 1.210 178.274 177.300 -0.392 0.000 1.218 149 P CA 0.633 63.288 63.100 -0.741 0.000 0.807 149 P CB 0.380 31.647 31.700 -0.722 0.000 1.072 150 T N -0.412 114.015 114.554 -0.213 0.000 2.915 150 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 150 T C 0.293 174.912 174.700 -0.136 0.000 1.071 150 T CA 0.728 62.739 62.100 -0.148 0.000 1.132 150 T CB -0.831 67.984 68.868 -0.088 0.000 0.878 150 T HN 0.027 nan 8.240 nan 0.000 0.479 151 D N 0.724 121.043 120.400 -0.135 0.000 2.396 151 D HA 0.198 4.838 4.640 -0.000 0.000 0.225 151 D C 1.131 177.340 176.300 -0.151 0.000 1.121 151 D CA -0.304 53.625 54.000 -0.117 0.000 0.853 151 D CB 0.544 41.293 40.800 -0.086 0.000 1.043 151 D HN 0.007 nan 8.370 nan 0.000 0.500 152 M N 2.134 121.646 119.600 -0.147 0.000 2.394 152 M HA -0.054 4.426 4.480 -0.000 0.000 0.264 152 M C 0.627 176.833 176.300 -0.156 0.000 1.073 152 M CA 0.816 56.017 55.300 -0.165 0.000 1.111 152 M CB -0.162 32.353 32.600 -0.141 0.000 1.401 152 M HN 0.494 nan 8.290 nan 0.000 0.448 153 D N -0.249 120.075 120.400 -0.125 0.000 2.162 153 D HA -0.052 4.588 4.640 -0.000 0.000 0.203 153 D C 2.121 178.348 176.300 -0.122 0.000 0.967 153 D CA 0.809 54.743 54.000 -0.109 0.000 0.840 153 D CB -0.101 40.650 40.800 -0.081 0.000 0.972 153 D HN 0.352 nan 8.370 nan 0.000 0.482 154 R N 0.380 120.805 120.500 -0.126 0.000 2.090 154 R HA 0.055 4.395 4.340 -0.000 0.000 0.228 154 R C 2.533 178.714 176.300 -0.200 0.000 1.110 154 R CA 0.360 56.382 56.100 -0.131 0.000 0.973 154 R CB -0.145 30.095 30.300 -0.101 0.000 0.869 154 R HN 0.208 nan 8.270 nan 0.000 0.440 155 I N 0.214 120.628 120.570 -0.259 0.000 2.286 155 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 155 I C 2.136 177.904 176.117 -0.581 0.000 1.115 155 I CA 1.183 62.223 61.300 -0.432 0.000 1.392 155 I CB -0.063 37.663 38.000 -0.457 0.000 1.065 155 I HN -0.027 nan 8.210 nan 0.000 0.418 156 V N 0.091 119.747 119.914 -0.429 0.000 2.446 156 V HA -0.151 3.969 4.120 -0.000 0.000 0.244 156 V C 2.362 178.117 176.094 -0.566 0.000 1.039 156 V CA 1.841 63.856 62.300 -0.475 0.000 1.045 156 V CB -0.165 31.497 31.823 -0.268 0.000 0.681 156 V HN 0.549 nan 8.190 nan 0.000 0.459 157 S N -0.319 115.204 115.700 -0.294 0.000 2.310 157 S HA -0.010 4.460 4.470 -0.000 0.000 0.205 157 S C 1.362 175.932 174.600 -0.051 0.000 1.020 157 S CA 1.021 59.152 58.200 -0.116 0.000 0.939 157 S CB -0.140 63.030 63.200 -0.049 0.000 0.919 157 S HN 0.508 nan 8.310 nan 0.000 0.501 158 D N 0.116 120.484 120.400 -0.054 0.000 2.760 158 D HA 0.212 4.852 4.640 -0.000 0.000 0.285 158 D C 1.716 177.997 176.300 -0.032 0.000 1.178 158 D CA 0.261 54.259 54.000 -0.003 0.000 1.031 158 D CB -0.455 40.357 40.800 0.019 0.000 1.544 158 D HN 0.375 nan 8.370 nan 0.000 0.468 159 E N 0.828 120.993 120.200 -0.058 0.000 2.333 159 E HA -0.032 4.318 4.350 -0.000 0.000 0.198 159 E C 1.494 178.045 176.600 -0.083 0.000 1.007 159 E CA 1.022 57.389 56.400 -0.056 0.000 0.845 159 E CB 0.151 29.816 29.700 -0.058 0.000 0.766 159 E HN 0.255 nan 8.360 nan 0.000 0.507 160 G N -0.668 108.046 108.800 -0.143 0.000 2.529 160 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.220 160 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.220 160 G C 0.901 175.733 174.900 -0.113 0.000 1.976 160 G CA -0.364 44.609 45.100 -0.212 0.000 0.789 160 G HN 0.198 nan 8.290 nan 0.000 0.695 161 F N 1.810 121.620 119.950 -0.233 0.000 2.604 161 F HA 0.085 4.612 4.527 -0.000 0.000 0.298 161 F C 2.731 178.469 175.800 -0.103 0.000 1.131 161 F CA 0.095 57.947 58.000 -0.247 0.000 1.457 161 F CB 0.401 39.120 39.000 -0.468 0.000 1.095 161 F HN 0.319 nan 8.300 nan 0.000 0.574 162 G N 0.105 108.971 108.800 0.111 0.000 2.484 162 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 162 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 162 G C 1.457 176.462 174.900 0.175 0.000 1.130 162 G CA 0.281 45.495 45.100 0.189 0.000 0.784 162 G HN 0.319 nan 8.290 nan 0.000 0.543 163 L N 0.193 121.481 121.223 0.108 0.000 2.558 163 L HA 0.211 4.551 4.340 -0.000 0.000 0.225 163 L C 0.237 177.131 176.870 0.041 0.000 1.128 163 L CA -0.329 54.550 54.840 0.065 0.000 0.868 163 L CB -0.081 41.995 42.059 0.027 0.000 1.006 163 L HN 0.007 nan 8.230 nan 0.000 0.454 164 N N 1.053 119.780 118.700 0.044 0.000 2.529 164 N HA 0.134 4.874 4.740 -0.000 0.000 0.278 164 N C -0.269 175.189 175.510 -0.086 0.000 1.146 164 N CA -0.027 52.921 53.050 -0.171 0.000 0.980 164 N CB 0.667 38.811 38.487 -0.572 0.000 1.124 164 N HN 0.084 nan 8.380 nan 0.000 0.458 165 E N 0.784 120.947 120.200 -0.061 0.000 2.289 165 E HA 0.027 4.377 4.350 -0.000 0.000 0.278 165 E C -0.696 175.857 176.600 -0.079 0.000 1.032 165 E CA -0.311 56.061 56.400 -0.047 0.000 0.854 165 E CB 0.902 30.623 29.700 0.036 0.000 1.046 165 E HN 0.485 nan 8.360 nan 0.000 0.409 166 Y N 1.847 121.918 120.300 -0.382 0.000 2.335 166 Y HA 0.323 4.873 4.550 -0.000 0.000 0.331 166 Y C -0.477 175.319 175.900 -0.172 0.000 1.094 166 Y CA -0.837 57.051 58.100 -0.353 0.000 1.253 166 Y CB 0.697 38.899 38.460 -0.429 0.000 1.203 166 Y HN 0.506 nan 8.280 nan 0.000 0.508 167 A N 6.096 128.450 122.820 -0.777 0.000 2.252 167 A HA 0.262 4.582 4.320 -0.000 0.000 0.309 167 A C -0.450 176.342 177.584 -1.320 0.000 1.285 167 A CA -0.723 50.720 52.037 -0.990 0.000 0.900 167 A CB -0.059 18.346 19.000 -0.992 0.000 1.157 167 A HN 0.903 nan 8.150 nan 0.000 0.536 168 E N 2.661 122.384 120.200 -0.796 0.000 1.791 168 E HA 0.131 4.481 4.350 -0.000 0.000 0.263 168 E C 0.162 176.734 176.600 -0.048 0.000 1.213 168 E CA -0.020 56.146 56.400 -0.390 0.000 0.991 168 E CB 0.057 29.716 29.700 -0.068 0.000 1.068 168 E HN 0.711 nan 8.360 nan 0.000 0.417 169 T N -0.192 114.287 114.554 -0.124 0.000 2.817 169 T HA 0.131 4.481 4.350 -0.000 0.000 0.293 169 T C 1.210 175.935 174.700 0.042 0.000 0.964 169 T CA -0.770 61.340 62.100 0.016 0.000 1.085 169 T CB 1.696 70.548 68.868 -0.027 0.000 0.921 169 T HN 0.081 nan 8.240 nan 0.000 0.502 170 T N 2.411 116.991 114.554 0.043 0.000 2.698 170 T HA 0.049 4.399 4.350 -0.000 0.000 0.260 170 T C 1.051 175.754 174.700 0.006 0.000 1.044 170 T CA 0.784 62.898 62.100 0.024 0.000 1.149 170 T CB -0.118 68.759 68.868 0.015 0.000 0.864 170 T HN 0.461 nan 8.240 nan 0.000 0.419 171 R N 1.915 122.409 120.500 -0.010 0.000 2.582 171 R HA 0.202 4.542 4.340 -0.000 0.000 0.271 171 R C 0.870 177.137 176.300 -0.056 0.000 1.078 171 R CA -0.051 56.032 56.100 -0.028 0.000 1.127 171 R CB 0.252 30.536 30.300 -0.027 0.000 1.038 171 R HN 0.218 nan 8.270 nan 0.000 0.500 172 D N 1.006 121.373 120.400 -0.054 0.000 2.355 172 D HA -0.029 4.611 4.640 -0.000 0.000 0.218 172 D C -0.105 176.128 176.300 -0.112 0.000 1.004 172 D CA 0.680 54.641 54.000 -0.066 0.000 0.880 172 D CB 0.238 41.015 40.800 -0.039 0.000 0.911 172 D HN 0.069 nan 8.370 nan 0.000 0.528 173 L N 1.359 122.510 121.223 -0.120 0.000 2.316 173 L HA 0.241 4.581 4.340 -0.000 0.000 0.280 173 L C -1.043 175.707 176.870 -0.200 0.000 1.006 173 L CA -0.542 54.207 54.840 -0.152 0.000 0.836 173 L CB 1.989 43.991 42.059 -0.095 0.000 1.221 173 L HN -0.351 nan 8.230 nan 0.000 0.418 174 V N 5.813 125.527 119.914 -0.334 0.000 2.328 174 V HA 0.362 4.482 4.120 -0.000 0.000 0.278 174 V C -0.125 175.847 176.094 -0.203 0.000 1.021 174 V CA -0.750 61.350 62.300 -0.333 0.000 0.838 174 V CB 1.544 33.007 31.823 -0.600 0.000 0.999 174 V HN 0.413 nan 8.190 nan 0.000 0.447 175 V N 6.171 125.990 119.914 -0.160 0.000 2.408 175 V HA 0.259 4.379 4.120 -0.000 0.000 0.267 175 V C 0.206 176.246 176.094 -0.090 0.000 1.047 175 V CA -0.343 61.875 62.300 -0.137 0.000 0.937 175 V CB 1.538 33.226 31.823 -0.225 0.000 0.999 175 V HN 0.611 nan 8.190 nan 0.000 0.472 176 V N 5.461 125.380 119.914 0.008 0.000 2.383 176 V HA 0.468 4.588 4.120 -0.000 0.000 0.275 176 V C 0.406 176.525 176.094 0.042 0.000 1.036 176 V CA 0.067 62.399 62.300 0.053 0.000 0.889 176 V CB 1.522 33.433 31.823 0.146 0.000 0.985 176 V HN 1.005 nan 8.190 nan 0.000 0.459 177 T N 3.645 118.210 114.554 0.018 0.000 2.916 177 T HA 0.885 5.235 4.350 -0.000 0.000 0.292 177 T C -0.412 174.322 174.700 0.056 0.000 1.055 177 T CA -0.445 61.678 62.100 0.040 0.000 1.009 177 T CB 2.094 70.971 68.868 0.015 0.000 1.118 177 T HN 0.936 nan 8.240 nan 0.000 0.497 178 A N 1.580 124.443 122.820 0.071 0.000 2.606 178 A HA 0.765 5.085 4.320 -0.000 0.000 0.293 178 A C -2.441 175.151 177.584 0.013 0.000 1.082 178 A CA -1.434 50.638 52.037 0.057 0.000 0.685 178 A CB 0.829 19.878 19.000 0.082 0.000 1.284 178 A HN 0.552 nan 8.150 nan 0.000 0.408 179 P HA 0.155 nan 4.420 nan 0.000 0.222 179 P C 0.746 177.842 177.300 -0.341 0.000 1.147 179 P CA 1.795 64.719 63.100 -0.293 0.000 0.790 179 P CB 0.259 31.588 31.700 -0.618 0.000 0.780 180 G N -2.200 106.520 108.800 -0.134 0.000 2.489 180 G HA2 0.423 4.383 3.960 -0.000 0.000 0.305 180 G HA3 0.423 4.383 3.960 -0.000 0.000 0.305 180 G C -3.358 171.653 174.900 0.185 0.000 1.311 180 G CA -0.870 44.269 45.100 0.064 0.000 0.813 180 G HN -0.339 nan 8.290 nan 0.000 0.480 181 P HA 0.445 nan 4.420 nan 0.000 0.275 181 P C 0.546 177.953 177.300 0.177 0.000 1.227 181 P CA 1.385 64.588 63.100 0.172 0.000 0.781 181 P CB 1.183 32.971 31.700 0.148 0.000 0.906 182 G N 1.583 110.472 108.800 0.149 0.000 2.325 182 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.248 182 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.248 182 G C 0.352 175.327 174.900 0.125 0.000 1.108 182 G CA 0.018 45.193 45.100 0.124 0.000 0.881 182 G HN 0.436 nan 8.290 nan 0.000 0.494 183 S N -0.637 115.142 115.700 0.131 0.000 2.650 183 S HA 0.469 4.939 4.470 -0.000 0.000 0.240 183 S C 1.755 176.405 174.600 0.083 0.000 1.007 183 S CA 0.774 59.046 58.200 0.120 0.000 0.984 183 S CB 0.927 64.213 63.200 0.143 0.000 0.910 183 S HN 2.243 nan 8.310 nan 0.000 0.509 184 G N 3.396 112.244 108.800 0.080 0.000 2.198 184 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.257 184 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.257 184 G C 0.743 175.678 174.900 0.058 0.000 1.042 184 G CA 0.752 45.888 45.100 0.059 0.000 0.791 184 G HN 0.601 nan 8.290 nan 0.000 0.502 185 K N -0.956 119.493 120.400 0.082 0.000 2.097 185 K HA 0.079 4.399 4.320 -0.000 0.000 0.205 185 K C 2.407 179.064 176.600 0.095 0.000 1.050 185 K CA 1.346 57.685 56.287 0.088 0.000 0.938 185 K CB -0.107 32.463 32.500 0.117 0.000 0.718 185 K HN 0.536 nan 8.250 nan 0.000 0.442 186 L N 1.784 123.067 121.223 0.100 0.000 2.027 186 L HA -0.022 4.318 4.340 -0.000 0.000 0.206 186 L C 2.450 179.320 176.870 0.001 0.000 1.074 186 L CA 1.912 56.774 54.840 0.037 0.000 0.745 186 L CB -0.687 41.412 42.059 0.067 0.000 0.898 186 L HN 0.237 nan 8.230 nan 0.000 0.433 187 A N -1.603 121.265 122.820 0.081 0.000 2.015 187 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 187 A C 2.189 179.808 177.584 0.058 0.000 1.163 187 A CA 1.918 54.032 52.037 0.128 0.000 0.646 187 A CB -1.072 17.931 19.000 0.005 0.000 0.806 187 A HN 0.541 nan 8.150 nan 0.000 0.448 188 T N -0.901 113.666 114.554 0.021 0.000 2.737 188 T HA -0.169 4.181 4.350 -0.000 0.000 0.265 188 T C 1.903 176.527 174.700 -0.127 0.000 1.038 188 T CA 1.520 63.606 62.100 -0.023 0.000 1.144 188 T CB -0.669 68.143 68.868 -0.094 0.000 0.866 188 T HN 0.552 nan 8.240 nan 0.000 0.434 189 C N 1.077 120.322 119.300 -0.092 0.000 2.413 189 C HA 0.023 4.483 4.460 -0.000 0.000 0.276 189 C C 2.691 177.543 174.990 -0.229 0.000 1.248 189 C CA 0.564 59.522 59.018 -0.100 0.000 1.742 189 C CB -1.369 26.438 27.740 0.112 0.000 2.017 189 C HN 0.518 nan 8.230 nan 0.000 0.481 190 L N -0.220 120.855 121.223 -0.246 0.000 2.179 190 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 190 L C 2.687 179.184 176.870 -0.621 0.000 1.096 190 L CA 1.216 55.908 54.840 -0.246 0.000 0.779 190 L CB -0.699 41.365 42.059 0.008 0.000 0.922 190 L HN 0.303 nan 8.230 nan 0.000 0.443 191 S N -0.642 114.446 115.700 -1.020 0.000 2.368 191 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 191 S C 2.022 176.386 174.600 -0.393 0.000 1.029 191 S CA 1.056 58.488 58.200 -1.281 0.000 0.988 191 S CB 0.031 62.746 63.200 -0.808 0.000 0.838 191 S HN 0.381 nan 8.310 nan 0.000 0.462 192 Q N 0.495 120.102 119.800 -0.321 0.000 2.172 192 Q HA 0.044 4.384 4.340 -0.000 0.000 0.200 192 Q C 2.347 178.221 176.000 -0.209 0.000 0.964 192 Q CA 0.829 56.481 55.803 -0.252 0.000 0.855 192 Q CB -0.602 27.672 28.738 -0.773 0.000 0.918 192 Q HN 0.471 nan 8.270 nan 0.000 0.444 193 V N 0.481 120.254 119.914 -0.236 0.000 2.358 193 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 193 V C 2.067 178.197 176.094 0.060 0.000 1.047 193 V CA 1.699 64.011 62.300 0.021 0.000 1.035 193 V CB -0.729 31.125 31.823 0.052 0.000 0.658 193 V HN 0.289 nan 8.190 nan 0.000 0.452 194 Y N 0.487 120.681 120.300 -0.176 0.000 2.181 194 Y HA -0.241 4.309 4.550 -0.000 0.000 0.288 194 Y C 2.657 178.446 175.900 -0.185 0.000 1.146 194 Y CA 1.940 59.932 58.100 -0.180 0.000 1.164 194 Y CB -0.365 37.961 38.460 -0.223 0.000 0.982 194 Y HN 0.350 nan 8.280 nan 0.000 0.515 195 H N -0.143 118.810 119.070 -0.196 0.000 2.524 195 H HA -0.033 4.523 4.556 0.000 0.000 0.282 195 H C 1.713 176.732 175.328 -0.515 0.000 1.016 195 H CA 1.541 57.366 56.048 -0.372 0.000 1.270 195 H CB 0.189 29.798 29.762 -0.256 0.000 1.394 195 H HN 0.603 nan 8.280 nan 0.000 0.568 196 E N -0.734 119.349 120.200 -0.195 0.000 2.276 196 E HA -0.034 4.316 4.350 -0.000 0.000 0.193 196 E C 1.670 178.195 176.600 -0.126 0.000 0.983 196 E CA -0.121 56.182 56.400 -0.161 0.000 0.861 196 E CB 0.336 30.055 29.700 0.032 0.000 0.817 196 E HN 0.561 nan 8.360 nan 0.000 0.485 197 H N 0.440 119.405 119.070 -0.175 0.000 2.462 197 H HA 0.019 4.575 4.556 -0.000 0.000 0.292 197 H C 1.730 176.926 175.328 -0.220 0.000 1.049 197 H CA 0.792 56.747 56.048 -0.156 0.000 1.334 197 H CB 0.501 30.195 29.762 -0.113 0.000 1.404 197 H HN -0.072 nan 8.280 nan 0.000 0.544 198 K N 0.750 121.002 120.400 -0.247 0.000 2.288 198 K HA -0.047 4.273 4.320 -0.000 0.000 0.201 198 K C 2.033 178.517 176.600 -0.193 0.000 1.048 198 K CA 0.369 56.489 56.287 -0.279 0.000 0.956 198 K CB 0.104 32.337 32.500 -0.445 0.000 0.746 198 K HN 0.217 nan 8.250 nan 0.000 0.461 199 R N -0.960 119.418 120.500 -0.203 0.000 2.254 199 R HA -0.018 4.322 4.340 -0.000 0.000 0.195 199 R C 1.008 177.235 176.300 -0.123 0.000 0.957 199 R CA 0.877 56.877 56.100 -0.167 0.000 1.024 199 R CB 0.492 30.657 30.300 -0.225 0.000 0.952 199 R HN 0.359 nan 8.270 nan 0.000 0.484 200 G N -0.407 108.311 108.800 -0.136 0.000 2.380 200 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.197 200 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.197 200 G C -0.183 174.625 174.900 -0.154 0.000 1.001 200 G CA -0.121 44.905 45.100 -0.123 0.000 0.668 200 G HN 0.092 nan 8.290 nan 0.000 0.483 201 V N 2.222 122.043 119.914 -0.155 0.000 2.530 201 V HA 0.646 4.766 4.120 -0.000 0.000 0.282 201 V C 1.025 176.952 176.094 -0.278 0.000 1.048 201 V CA -0.040 62.173 62.300 -0.144 0.000 0.997 201 V CB 1.311 33.101 31.823 -0.055 0.000 0.987 201 V HN 1.149 nan 8.190 nan 0.000 0.477 202 A N 4.580 127.247 122.820 -0.254 0.000 2.410 202 A HA 0.681 5.001 4.320 -0.000 0.000 0.292 202 A C 0.468 178.008 177.584 -0.073 0.000 1.232 202 A CA 0.234 52.081 52.037 -0.317 0.000 0.893 202 A CB -0.284 18.624 19.000 -0.152 0.000 1.131 202 A HN 1.283 nan 8.150 nan 0.000 0.530 203 A N 2.345 125.209 122.820 0.072 0.000 2.354 203 A HA 0.965 5.285 4.320 -0.000 0.000 0.321 203 A C 0.290 178.076 177.584 0.336 0.000 1.125 203 A CA -0.065 52.128 52.037 0.259 0.000 0.799 203 A CB 1.614 20.815 19.000 0.334 0.000 1.293 203 A HN 1.794 nan 8.150 nan 0.000 0.452 204 G N -1.412 107.560 108.800 0.288 0.000 2.708 204 G HA2 0.549 4.509 3.960 -0.000 0.000 0.289 204 G HA3 0.549 4.509 3.960 -0.000 0.000 0.289 204 G C -1.950 173.161 174.900 0.351 0.000 1.416 204 G CA -0.411 44.846 45.100 0.262 0.000 0.829 204 G HN 1.205 nan 8.290 nan 0.000 0.480 205 Y N 0.221 120.653 120.300 0.219 0.000 2.446 205 Y HA 0.787 5.337 4.550 -0.000 0.000 0.345 205 Y C -0.219 175.859 175.900 0.296 0.000 0.984 205 Y CA -0.614 57.635 58.100 0.249 0.000 1.058 205 Y CB 1.858 40.447 38.460 0.216 0.000 1.220 205 Y HN 0.962 nan 8.280 nan 0.000 0.455 206 A N 5.480 127.961 122.820 -0.564 0.000 2.569 206 A HA 0.716 5.036 4.320 -0.000 0.000 0.290 206 A C -1.832 175.334 177.584 -0.697 0.000 1.136 206 A CA -1.153 50.504 52.037 -0.635 0.000 0.710 206 A CB 1.887 20.773 19.000 -0.190 0.000 1.303 206 A HN 0.705 nan 8.150 nan 0.000 0.413 207 K N 0.132 120.276 120.400 -0.428 0.000 2.324 207 K HA 0.602 4.922 4.320 -0.000 0.000 0.253 207 K C -2.053 174.563 176.600 0.026 0.000 0.932 207 K CA -0.432 55.772 56.287 -0.139 0.000 0.799 207 K CB 1.356 33.811 32.500 -0.074 0.000 1.154 207 K HN 0.553 nan 8.250 nan 0.000 0.425 208 F N 4.242 124.177 119.950 -0.025 0.000 2.311 208 F HA 0.311 4.838 4.527 0.000 0.000 0.371 208 F C -0.618 175.201 175.800 0.032 0.000 1.083 208 F CA -0.378 57.628 58.000 0.010 0.000 1.113 208 F CB 0.745 39.757 39.000 0.020 0.000 1.349 208 F HN 0.388 nan 8.300 nan 0.000 0.470 209 E N 2.980 123.038 120.200 -0.236 0.000 2.199 209 E HA 0.230 4.580 4.350 -0.000 0.000 0.269 209 E C 0.408 176.740 176.600 -0.446 0.000 0.899 209 E CA -0.145 56.129 56.400 -0.210 0.000 0.772 209 E CB 2.050 31.724 29.700 -0.043 0.000 1.155 209 E HN 0.636 nan 8.360 nan 0.000 0.408 210 T N -0.580 113.690 114.554 -0.472 0.000 2.983 210 T HA 0.160 4.510 4.350 -0.000 0.000 0.250 210 T C 0.702 174.866 174.700 -0.894 0.000 1.037 210 T CA 0.504 62.180 62.100 -0.708 0.000 1.142 210 T CB 0.046 68.433 68.868 -0.801 0.000 0.876 210 T HN 0.262 nan 8.240 nan 0.000 0.455 211 F N 2.414 122.101 119.950 -0.438 0.000 2.522 211 F HA 0.557 5.084 4.527 -0.000 0.000 0.324 211 F C -2.358 173.041 175.800 -0.667 0.000 1.077 211 F CA -2.903 54.722 58.000 -0.624 0.000 0.944 211 F CB 1.501 39.904 39.000 -0.995 0.000 1.175 211 F HN -0.170 nan 8.300 nan 0.000 0.468 212 P HA 0.160 nan 4.420 nan 0.000 0.272 212 P C -0.567 176.752 177.300 0.031 0.000 1.230 212 P CA -0.004 63.094 63.100 -0.003 0.000 0.788 212 P CB 1.063 32.825 31.700 0.103 0.000 0.949 213 I N 2.991 123.580 120.570 0.032 0.000 2.337 213 I HA 0.063 4.233 4.170 -0.000 0.000 0.291 213 I C 1.964 178.031 176.117 -0.083 0.000 1.046 213 I CA -0.572 60.678 61.300 -0.082 0.000 1.324 213 I CB 0.367 38.260 38.000 -0.179 0.000 1.409 213 I HN 0.584 nan 8.210 nan 0.000 0.494 214 W N 7.189 128.432 121.300 -0.095 0.000 2.363 214 W HA -0.177 4.483 4.660 -0.000 0.000 0.296 214 W C 1.141 177.609 176.519 -0.085 0.000 1.212 214 W CA 1.144 58.432 57.345 -0.095 0.000 1.260 214 W CB -0.916 28.456 29.460 -0.146 0.000 1.131 214 W HN 0.624 nan 8.180 nan 0.000 0.530 215 N N 1.224 119.364 118.700 -0.934 0.000 2.322 215 N HA 0.103 4.843 4.740 -0.000 0.000 0.194 215 N C 0.132 175.384 175.510 -0.431 0.000 1.126 215 N CA 0.260 52.813 53.050 -0.829 0.000 0.845 215 N CB -0.606 37.019 38.487 -1.437 0.000 0.976 215 N HN 0.209 nan 8.380 nan 0.000 0.475 216 L N 1.044 122.068 121.223 -0.332 0.000 2.334 216 L HA 0.517 4.857 4.340 -0.000 0.000 0.275 216 L C -2.075 174.748 176.870 -0.078 0.000 1.036 216 L CA -2.219 52.477 54.840 -0.240 0.000 0.807 216 L CB 1.502 43.297 42.059 -0.438 0.000 1.231 216 L HN -0.152 nan 8.230 nan 0.000 0.438 217 P HA -0.016 nan 4.420 nan 0.000 0.271 217 P C 0.688 178.039 177.300 0.085 0.000 1.233 217 P CA -0.296 62.842 63.100 0.064 0.000 0.789 217 P CB 1.168 32.919 31.700 0.085 0.000 0.951 218 L N 0.914 122.182 121.223 0.076 0.000 2.131 218 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 218 L C 2.089 179.006 176.870 0.078 0.000 1.092 218 L CA 1.597 56.485 54.840 0.079 0.000 0.759 218 L CB -0.523 41.578 42.059 0.069 0.000 0.903 218 L HN 0.415 nan 8.230 nan 0.000 0.435 219 E N -1.606 118.635 120.200 0.069 0.000 2.489 219 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 219 E C 0.201 176.830 176.600 0.050 0.000 1.057 219 E CA -0.188 56.238 56.400 0.044 0.000 0.866 219 E CB -0.552 29.159 29.700 0.018 0.000 0.916 219 E HN 0.477 nan 8.360 nan 0.000 0.500 220 H N 2.711 121.781 119.070 -0.001 0.000 3.004 220 H HA 0.045 4.601 4.556 -0.000 0.000 0.316 220 H C -1.625 173.696 175.328 -0.011 0.000 1.014 220 H CA -1.326 54.718 56.048 -0.008 0.000 1.454 220 H CB 1.487 31.242 29.762 -0.010 0.000 1.472 220 H HN -0.141 nan 8.280 nan 0.000 0.571 221 P HA -0.190 nan 4.420 nan 0.000 0.217 221 P C 1.740 179.099 177.300 0.098 0.000 1.148 221 P CA 0.763 63.864 63.100 0.002 0.000 0.828 221 P CB 0.334 31.981 31.700 -0.090 0.000 0.783 222 V N 0.218 120.312 119.914 0.301 0.000 2.255 222 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 222 V C 2.213 178.329 176.094 0.036 0.000 1.051 222 V CA 2.126 64.501 62.300 0.125 0.000 1.018 222 V CB -1.187 30.694 31.823 0.097 0.000 0.641 222 V HN 0.158 nan 8.190 nan 0.000 0.445 223 N N -0.092 118.666 118.700 0.097 0.000 2.120 223 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 223 N C 1.657 177.218 175.510 0.085 0.000 1.024 223 N CA 1.105 54.210 53.050 0.090 0.000 0.852 223 N CB -0.478 38.069 38.487 0.099 0.000 1.003 223 N HN 0.250 nan 8.380 nan 0.000 0.424 224 L N 1.450 122.712 121.223 0.066 0.000 2.079 224 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 224 L C 2.268 179.141 176.870 0.004 0.000 1.081 224 L CA 1.185 56.042 54.840 0.028 0.000 0.752 224 L CB -1.148 40.916 42.059 0.009 0.000 0.896 224 L HN 0.113 nan 8.230 nan 0.000 0.433 225 A N -1.997 120.823 122.820 0.001 0.000 1.972 225 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 225 A C 2.275 179.881 177.584 0.037 0.000 1.169 225 A CA 1.533 53.572 52.037 0.004 0.000 0.635 225 A CB -0.900 18.069 19.000 -0.052 0.000 0.810 225 A HN 0.494 nan 8.150 nan 0.000 0.446 226 Y N 0.545 120.754 120.300 -0.152 0.000 2.263 226 Y HA -0.091 4.459 4.550 -0.000 0.000 0.292 226 Y C 2.205 177.994 175.900 -0.184 0.000 1.130 226 Y CA 1.840 59.781 58.100 -0.265 0.000 1.179 226 Y CB -0.156 38.124 38.460 -0.300 0.000 0.998 226 Y HN 0.454 nan 8.280 nan 0.000 0.532 227 E N -0.412 119.709 120.200 -0.132 0.000 2.150 227 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 227 E C 2.256 178.752 176.600 -0.175 0.000 0.985 227 E CA 0.795 57.097 56.400 -0.162 0.000 0.814 227 E CB -0.201 29.472 29.700 -0.044 0.000 0.752 227 E HN 0.538 nan 8.360 nan 0.000 0.466 228 A N 1.063 123.807 122.820 -0.128 0.000 2.015 228 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 228 A C 2.169 179.667 177.584 -0.143 0.000 1.163 228 A CA 1.348 53.326 52.037 -0.098 0.000 0.646 228 A CB -0.190 18.782 19.000 -0.047 0.000 0.806 228 A HN 0.244 nan 8.150 nan 0.000 0.448 229 A N -0.657 122.008 122.820 -0.259 0.000 2.278 229 A HA 0.346 4.666 4.320 -0.000 0.000 0.212 229 A C 0.714 178.068 177.584 -0.384 0.000 1.213 229 A CA 0.690 52.522 52.037 -0.342 0.000 0.840 229 A CB -0.409 18.242 19.000 -0.582 0.000 0.866 229 A HN 0.294 nan 8.150 nan 0.000 0.489 230 T N -0.323 114.016 114.554 -0.359 0.000 2.771 230 T HA 0.398 4.748 4.350 -0.000 0.000 0.281 230 T C 1.121 175.720 174.700 -0.168 0.000 0.982 230 T CA -0.459 61.453 62.100 -0.313 0.000 0.978 230 T CB 1.829 70.476 68.868 -0.367 0.000 0.930 230 T HN -0.033 nan 8.240 nan 0.000 0.447 231 V N 0.679 120.519 119.914 -0.123 0.000 2.446 231 V HA 0.027 4.147 4.120 -0.000 0.000 0.244 231 V C 1.147 177.211 176.094 -0.049 0.000 1.039 231 V CA 0.765 63.023 62.300 -0.070 0.000 1.045 231 V CB -0.338 31.457 31.823 -0.047 0.000 0.681 231 V HN 0.765 nan 8.190 nan 0.000 0.459 232 D N -0.403 119.969 120.400 -0.047 0.000 2.344 232 D HA 0.187 4.827 4.640 -0.000 0.000 0.244 232 D C 0.555 176.843 176.300 -0.020 0.000 1.134 232 D CA 0.196 54.185 54.000 -0.019 0.000 0.930 232 D CB 1.513 42.313 40.800 0.000 0.000 1.175 232 D HN 0.044 nan 8.370 nan 0.000 0.437 233 L N 2.393 123.619 121.223 0.004 0.000 2.616 233 L HA 0.179 4.519 4.340 -0.000 0.000 0.229 233 L C 1.796 178.693 176.870 0.044 0.000 1.110 233 L CA -0.011 54.837 54.840 0.014 0.000 0.884 233 L CB -0.020 42.047 42.059 0.014 0.000 1.115 233 L HN 0.436 nan 8.230 nan 0.000 0.481 234 N N 0.068 118.803 118.700 0.058 0.000 2.459 234 N HA -0.119 4.621 4.740 -0.000 0.000 0.181 234 N C 0.013 175.615 175.510 0.153 0.000 1.046 234 N CA 0.812 53.922 53.050 0.099 0.000 0.904 234 N CB 0.290 38.837 38.487 0.099 0.000 0.964 234 N HN 0.327 nan 8.380 nan 0.000 0.444 235 D N 0.484 120.952 120.400 0.114 0.000 2.491 235 D HA 0.134 4.774 4.640 -0.000 0.000 0.228 235 D C -0.073 176.300 176.300 0.121 0.000 1.183 235 D CA -0.057 54.026 54.000 0.139 0.000 0.827 235 D CB 0.246 41.054 40.800 0.012 0.000 0.989 235 D HN 0.101 nan 8.370 nan 0.000 0.494 236 A N 0.991 123.886 122.820 0.125 0.000 2.477 236 A HA 0.135 4.455 4.320 -0.000 0.000 0.246 236 A C 0.607 178.301 177.584 0.183 0.000 1.078 236 A CA -0.342 51.760 52.037 0.108 0.000 0.770 236 A CB 0.291 19.337 19.000 0.077 0.000 1.011 236 A HN 0.012 nan 8.150 nan 0.000 0.494 237 N N 0.529 119.330 118.700 0.168 0.000 2.483 237 N HA 0.365 5.105 4.740 -0.000 0.000 0.264 237 N C -0.099 175.501 175.510 0.149 0.000 1.197 237 N CA 0.187 53.352 53.050 0.193 0.000 0.927 237 N CB 1.032 39.619 38.487 0.166 0.000 1.065 237 N HN 0.604 nan 8.380 nan 0.000 0.461 238 V N -0.719 119.291 119.914 0.159 0.000 3.102 238 V HA 0.577 4.697 4.120 -0.000 0.000 0.312 238 V C 0.267 176.432 176.094 0.118 0.000 1.135 238 V CA -1.201 61.172 62.300 0.122 0.000 1.022 238 V CB 1.429 33.325 31.823 0.121 0.000 1.056 238 V HN 0.401 nan 8.190 nan 0.000 0.436 239 I N 1.916 122.548 120.570 0.103 0.000 2.533 239 I HA 0.145 4.315 4.170 -0.000 0.000 0.284 239 I C 0.368 176.554 176.117 0.116 0.000 1.109 239 I CA 0.286 61.648 61.300 0.104 0.000 1.412 239 I CB 0.345 38.400 38.000 0.091 0.000 1.396 239 I HN 0.708 nan 8.210 nan 0.000 0.543 240 D N 6.192 126.647 120.400 0.093 0.000 2.357 240 D HA -0.056 4.584 4.640 -0.000 0.000 0.265 240 D C 1.250 177.576 176.300 0.044 0.000 1.334 240 D CA 0.145 54.174 54.000 0.047 0.000 0.984 240 D CB 0.370 41.186 40.800 0.026 0.000 1.077 240 D HN 0.568 nan 8.370 nan 0.000 0.514 241 H N 1.903 120.922 119.070 -0.084 0.000 2.462 241 H HA -0.029 4.527 4.556 -0.000 0.000 0.292 241 H C 1.374 176.615 175.328 -0.146 0.000 1.049 241 H CA 0.814 56.771 56.048 -0.153 0.000 1.334 241 H CB -0.340 29.265 29.762 -0.263 0.000 1.404 241 H HN 0.270 nan 8.280 nan 0.000 0.544 242 F N 0.649 120.373 119.950 -0.377 0.000 2.134 242 F HA -0.092 4.435 4.527 -0.000 0.000 0.299 242 F C 2.552 178.324 175.800 -0.045 0.000 1.097 242 F CA 1.701 59.578 58.000 -0.204 0.000 1.264 242 F CB -0.758 38.059 39.000 -0.304 0.000 1.001 242 F HN 0.329 nan 8.300 nan 0.000 0.479 243 H N -0.734 118.391 119.070 0.092 0.000 2.462 243 H HA -0.060 4.496 4.556 -0.000 0.000 0.292 243 H C 1.979 177.415 175.328 0.180 0.000 1.049 243 H CA 0.981 57.136 56.048 0.178 0.000 1.334 243 H CB -0.089 29.745 29.762 0.121 0.000 1.404 243 H HN 0.128 nan 8.280 nan 0.000 0.544 244 L N -0.217 121.111 121.223 0.176 0.000 2.131 244 L HA 0.124 4.464 4.340 -0.000 0.000 0.206 244 L C 2.274 179.173 176.870 0.048 0.000 1.087 244 L CA 1.597 56.506 54.840 0.115 0.000 0.767 244 L CB -0.854 41.272 42.059 0.112 0.000 0.917 244 L HN 0.306 nan 8.230 nan 0.000 0.441 245 A N -1.034 121.806 122.820 0.033 0.000 1.968 245 A HA 0.106 4.426 4.320 -0.000 0.000 0.217 245 A C 2.320 179.861 177.584 -0.072 0.000 1.169 245 A CA 1.314 53.355 52.037 0.006 0.000 0.638 245 A CB -0.702 18.323 19.000 0.043 0.000 0.812 245 A HN 0.462 nan 8.150 nan 0.000 0.446 246 A N -2.126 120.591 122.820 -0.172 0.000 1.943 246 A HA 0.274 4.594 4.320 -0.000 0.000 0.213 246 A C 1.751 178.944 177.584 -0.653 0.000 1.181 246 A CA 1.200 52.953 52.037 -0.472 0.000 0.653 246 A CB -0.253 18.321 19.000 -0.710 0.000 0.833 246 A HN 0.539 nan 8.150 nan 0.000 0.451 247 Y N -2.418 117.794 120.300 -0.146 0.000 2.452 247 Y HA 0.404 4.954 4.550 -0.000 0.000 0.262 247 Y C 1.859 177.715 175.900 -0.073 0.000 1.089 247 Y CA 0.000 58.010 58.100 -0.150 0.000 1.262 247 Y CB 0.475 38.746 38.460 -0.315 0.000 1.236 247 Y HN 0.405 nan 8.280 nan 0.000 0.512 248 G N 0.819 109.663 108.800 0.074 0.000 2.195 248 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.246 248 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.246 248 G C -0.004 174.961 174.900 0.109 0.000 0.984 248 G CA 0.154 45.300 45.100 0.077 0.000 0.633 248 G HN 0.443 nan 8.290 nan 0.000 0.525 249 E N 0.813 121.104 120.200 0.151 0.000 2.266 249 E HA 0.600 4.950 4.350 -0.000 0.000 0.277 249 E C -0.211 176.548 176.600 0.265 0.000 1.018 249 E CA -0.788 55.732 56.400 0.201 0.000 0.840 249 E CB 0.850 30.692 29.700 0.236 0.000 1.082 249 E HN 0.451 nan 8.360 nan 0.000 0.395 250 Q N 2.140 122.060 119.800 0.199 0.000 2.337 250 Q HA 0.229 4.569 4.340 -0.000 0.000 0.255 250 Q C -0.448 175.665 176.000 0.188 0.000 0.997 250 Q CA -0.329 55.579 55.803 0.174 0.000 0.925 250 Q CB 1.123 29.930 28.738 0.114 0.000 1.212 250 Q HN 0.699 nan 8.270 nan 0.000 0.436 251 T N -1.919 112.754 114.554 0.198 0.000 2.916 251 T HA 0.669 5.019 4.350 -0.000 0.000 0.292 251 T C -0.335 174.443 174.700 0.130 0.000 1.064 251 T CA -0.802 61.403 62.100 0.176 0.000 1.011 251 T CB 1.387 70.335 68.868 0.132 0.000 1.152 251 T HN 0.233 nan 8.240 nan 0.000 0.510 252 V N 2.156 122.155 119.914 0.141 0.000 2.398 252 V HA 0.593 4.713 4.120 -0.000 0.000 0.286 252 V C 0.023 176.203 176.094 0.144 0.000 1.026 252 V CA -0.533 61.845 62.300 0.129 0.000 0.868 252 V CB 1.063 32.954 31.823 0.113 0.000 0.982 252 V HN 1.051 nan 8.190 nan 0.000 0.443 253 N N 2.405 121.185 118.700 0.132 0.000 3.512 253 N HA 0.699 5.439 4.740 -0.000 0.000 0.360 253 N C -1.461 174.210 175.510 0.268 0.000 1.593 253 N CA -0.468 52.668 53.050 0.144 0.000 0.672 253 N CB 1.682 40.156 38.487 -0.023 0.000 2.105 253 N HN 0.624 nan 8.380 nan 0.000 0.645 254 Y N -1.848 118.509 120.300 0.095 0.000 2.597 254 Y HA 0.543 5.093 4.550 -0.000 0.000 0.340 254 Y C 0.363 176.337 175.900 0.123 0.000 1.097 254 Y CA -1.049 57.120 58.100 0.116 0.000 1.037 254 Y CB 0.364 38.909 38.460 0.140 0.000 1.305 254 Y HN 0.300 nan 8.280 nan 0.000 0.463 255 N N 0.948 119.795 118.700 0.245 0.000 2.094 255 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 255 N C 1.723 177.307 175.510 0.125 0.000 1.023 255 N CA 1.895 55.043 53.050 0.163 0.000 0.857 255 N CB -0.244 38.339 38.487 0.160 0.000 1.013 255 N HN 0.839 nan 8.380 nan 0.000 0.426 256 R N 0.782 121.388 120.500 0.177 0.000 2.070 256 R HA -0.122 4.218 4.340 -0.000 0.000 0.233 256 R C 1.067 177.377 176.300 0.016 0.000 1.137 256 R CA 1.840 58.027 56.100 0.146 0.000 0.945 256 R CB -0.078 30.398 30.300 0.293 0.000 0.845 256 R HN 0.096 nan 8.270 nan 0.000 0.430 257 D N -0.538 119.712 120.400 -0.251 0.000 2.183 257 D HA -0.084 4.556 4.640 -0.000 0.000 0.203 257 D C 1.836 178.102 176.300 -0.056 0.000 0.969 257 D CA 0.746 54.604 54.000 -0.236 0.000 0.842 257 D CB 0.130 40.597 40.800 -0.555 0.000 0.957 257 D HN 0.043 nan 8.370 nan 0.000 0.484 258 V N 0.722 120.617 119.914 -0.032 0.000 2.358 258 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 258 V C 2.072 178.360 176.094 0.324 0.000 1.047 258 V CA 1.607 64.019 62.300 0.187 0.000 1.035 258 V CB -0.319 31.612 31.823 0.180 0.000 0.658 258 V HN 0.210 nan 8.190 nan 0.000 0.452 259 E N 0.008 120.334 120.200 0.210 0.000 2.152 259 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 259 E C 2.208 178.895 176.600 0.144 0.000 0.983 259 E CA 1.043 57.561 56.400 0.197 0.000 0.818 259 E CB -0.229 29.556 29.700 0.140 0.000 0.758 259 E HN 0.591 nan 8.360 nan 0.000 0.467 260 A N 0.505 123.392 122.820 0.112 0.000 2.067 260 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 260 A C 1.795 179.401 177.584 0.037 0.000 1.156 260 A CA 0.380 52.455 52.037 0.064 0.000 0.683 260 A CB -0.477 18.563 19.000 0.066 0.000 0.808 260 A HN 0.280 nan 8.150 nan 0.000 0.455 261 F N 1.542 121.440 119.950 -0.087 0.000 2.102 261 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 261 F C -0.666 174.969 175.800 -0.274 0.000 1.105 261 F CA 1.812 59.679 58.000 -0.221 0.000 1.239 261 F CB -0.999 37.764 39.000 -0.396 0.000 0.991 261 F HN 0.166 nan 8.300 nan 0.000 0.474 262 P HA -0.219 nan 4.420 nan 0.000 0.215 262 P C 2.128 179.248 177.300 -0.300 0.000 1.157 262 P CA 1.671 64.600 63.100 -0.285 0.000 0.874 262 P CB -0.128 31.563 31.700 -0.015 0.000 0.790 263 L N -1.916 119.183 121.223 -0.207 0.000 2.217 263 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 263 L C 2.166 178.891 176.870 -0.241 0.000 1.107 263 L CA 0.907 55.631 54.840 -0.193 0.000 0.783 263 L CB -0.476 41.497 42.059 -0.142 0.000 0.919 263 L HN -0.079 nan 8.230 nan 0.000 0.442 264 L N -0.754 120.299 121.223 -0.283 0.000 2.270 264 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 264 L C 2.370 179.044 176.870 -0.327 0.000 1.104 264 L CA 1.270 55.959 54.840 -0.252 0.000 0.804 264 L CB -0.480 41.489 42.059 -0.150 0.000 0.937 264 L HN 0.077 nan 8.230 nan 0.000 0.450 265 K N -0.843 119.208 120.400 -0.582 0.000 2.097 265 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 265 K C 1.650 178.079 176.600 -0.285 0.000 1.050 265 K CA 1.786 57.739 56.287 -0.558 0.000 0.938 265 K CB -0.052 31.930 32.500 -0.865 0.000 0.718 265 K HN 0.376 nan 8.250 nan 0.000 0.442 266 T N 1.743 116.145 114.554 -0.253 0.000 2.904 266 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 266 T C 1.651 176.264 174.700 -0.146 0.000 1.059 266 T CA 0.543 62.540 62.100 -0.171 0.000 1.137 266 T CB -0.061 68.713 68.868 -0.157 0.000 0.879 266 T HN 0.073 nan 8.240 nan 0.000 0.467 267 L N 0.723 121.851 121.223 -0.158 0.000 2.217 267 L HA 0.261 4.601 4.340 -0.000 0.000 0.211 267 L C 1.961 178.787 176.870 -0.074 0.000 1.107 267 L CA 1.184 55.950 54.840 -0.123 0.000 0.783 267 L CB -0.816 41.162 42.059 -0.135 0.000 0.919 267 L HN 0.241 nan 8.230 nan 0.000 0.442 268 L N -1.069 120.109 121.223 -0.074 0.000 2.109 268 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 268 L C 2.375 179.210 176.870 -0.058 0.000 1.086 268 L CA 1.030 55.849 54.840 -0.036 0.000 0.760 268 L CB -0.356 41.702 42.059 -0.002 0.000 0.910 268 L HN 0.274 nan 8.230 nan 0.000 0.437 269 E N -0.348 119.809 120.200 -0.073 0.000 2.110 269 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 269 E C 2.262 178.827 176.600 -0.059 0.000 0.988 269 E CA 0.698 57.059 56.400 -0.065 0.000 0.804 269 E CB 0.038 29.697 29.700 -0.068 0.000 0.745 269 E HN 0.286 nan 8.360 nan 0.000 0.458 270 R N 0.186 120.648 120.500 -0.063 0.000 2.189 270 R HA 0.012 4.352 4.340 -0.000 0.000 0.218 270 R C 2.042 178.321 176.300 -0.035 0.000 1.074 270 R CA 0.630 56.699 56.100 -0.052 0.000 0.991 270 R CB 0.054 30.312 30.300 -0.071 0.000 0.883 270 R HN 0.262 nan 8.270 nan 0.000 0.457 271 L N -0.994 120.199 121.223 -0.050 0.000 2.515 271 L HA 0.170 4.510 4.340 -0.000 0.000 0.223 271 L C 2.036 178.753 176.870 -0.256 0.000 1.079 271 L CA 0.389 55.188 54.840 -0.069 0.000 0.857 271 L CB 0.093 42.138 42.059 -0.022 0.000 1.050 271 L HN 0.051 nan 8.230 nan 0.000 0.476 272 M N -1.985 117.504 119.600 -0.184 0.000 2.470 272 M HA 0.299 4.779 4.480 -0.000 0.000 0.262 272 M C 1.393 177.661 176.300 -0.054 0.000 1.211 272 M CA 0.883 56.069 55.300 -0.191 0.000 1.125 272 M CB 1.489 34.023 32.600 -0.109 0.000 1.480 272 M HN 0.293 nan 8.290 nan 0.000 0.541 273 G N 1.724 110.498 108.800 -0.044 0.000 2.882 273 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.198 273 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.198 273 G C -0.024 174.862 174.900 -0.024 0.000 1.977 273 G CA 0.037 45.127 45.100 -0.015 0.000 1.541 273 G HN 0.512 nan 8.290 nan 0.000 0.567 274 E N 0.328 120.512 120.200 -0.026 0.000 2.259 274 E HA 0.721 5.071 4.350 -0.000 0.000 0.257 274 E C -0.367 176.202 176.600 -0.051 0.000 0.998 274 E CA -0.180 56.201 56.400 -0.032 0.000 0.866 274 E CB 1.757 31.444 29.700 -0.022 0.000 1.220 274 E HN 0.421 nan 8.360 nan 0.000 0.415 275 S N 1.014 116.686 115.700 -0.046 0.000 2.430 275 S HA 0.216 4.686 4.470 -0.000 0.000 0.289 275 S C -1.585 172.969 174.600 -0.077 0.000 1.143 275 S CA -1.617 56.550 58.200 -0.055 0.000 1.067 275 S CB 0.708 63.896 63.200 -0.020 0.000 0.964 275 S HN 0.499 nan 8.310 nan 0.000 0.485 276 P HA 0.067 nan 4.420 nan 0.000 0.236 276 P C -0.770 176.388 177.300 -0.236 0.000 1.177 276 P CA 0.553 63.461 63.100 -0.321 0.000 0.773 276 P CB 0.047 31.385 31.700 -0.604 0.000 0.878 277 Y N -0.309 120.077 120.300 0.142 0.000 2.364 277 Y HA 0.391 4.941 4.550 -0.000 0.000 0.340 277 Y C 1.427 177.505 175.900 0.297 0.000 0.975 277 Y CA -0.947 57.275 58.100 0.203 0.000 1.089 277 Y CB 1.421 40.025 38.460 0.239 0.000 1.192 277 Y HN -0.250 nan 8.280 nan 0.000 0.454 278 Q N 1.197 121.260 119.800 0.440 0.000 2.247 278 Q HA 0.209 4.549 4.340 -0.000 0.000 0.211 278 Q C -0.230 175.870 176.000 0.167 0.000 0.861 278 Q CA 0.061 56.067 55.803 0.338 0.000 0.949 278 Q CB 0.801 29.637 28.738 0.163 0.000 1.115 278 Q HN 0.721 nan 8.270 nan 0.000 0.507 279 S N -1.873 113.759 115.700 -0.113 0.000 2.588 279 S HA 0.460 4.930 4.470 -0.000 0.000 0.269 279 S C -2.611 171.427 174.600 -0.936 0.000 1.157 279 S CA -1.136 56.644 58.200 -0.701 0.000 0.824 279 S CB 2.109 65.324 63.200 0.025 0.000 1.126 279 S HN -0.292 nan 8.310 nan 0.000 0.464 280 P HA 0.024 nan 4.420 nan 0.000 0.220 280 P C 1.307 178.354 177.300 -0.421 0.000 1.148 280 P CA 1.317 64.108 63.100 -0.515 0.000 0.803 280 P CB -0.313 31.163 31.700 -0.373 0.000 0.782 281 T N -0.490 113.800 114.554 -0.440 0.000 2.708 281 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 281 T C 1.352 175.686 174.700 -0.610 0.000 1.037 281 T CA 1.694 63.436 62.100 -0.597 0.000 1.146 281 T CB -1.053 67.275 68.868 -0.899 0.000 0.865 281 T HN 0.126 nan 8.240 nan 0.000 0.435 282 D N 0.794 120.965 120.400 -0.382 0.000 2.104 282 D HA -0.075 4.565 4.640 -0.000 0.000 0.194 282 D C 1.951 177.927 176.300 -0.540 0.000 0.994 282 D CA 0.889 54.750 54.000 -0.232 0.000 0.830 282 D CB -0.411 40.469 40.800 0.134 0.000 0.959 282 D HN 0.292 nan 8.370 nan 0.000 0.452 283 M N 0.419 119.499 119.600 -0.866 0.000 2.202 283 M HA -0.043 4.437 4.480 -0.000 0.000 0.262 283 M C 1.080 176.921 176.300 -0.765 0.000 1.063 283 M CA 1.209 55.690 55.300 -1.365 0.000 1.097 283 M CB -0.151 32.043 32.600 -0.677 0.000 1.382 283 M HN -0.075 nan 8.290 nan 0.000 0.413 284 G N -1.107 107.387 108.800 -0.509 0.000 2.621 284 G HA2 0.308 4.268 3.960 -0.000 0.000 0.271 284 G HA3 0.308 4.268 3.960 -0.000 0.000 0.271 284 G C -0.004 174.745 174.900 -0.252 0.000 1.236 284 G CA -0.494 44.401 45.100 -0.342 0.000 0.958 284 G HN 0.207 nan 8.290 nan 0.000 0.512 285 V N -0.402 119.447 119.914 -0.109 0.000 3.509 285 V HA 0.173 4.293 4.120 -0.000 0.000 0.286 285 V C 0.488 176.698 176.094 0.194 0.000 1.618 285 V CA -0.342 62.024 62.300 0.109 0.000 1.088 285 V CB -0.222 31.670 31.823 0.115 0.000 0.909 285 V HN 0.658 nan 8.190 nan 0.000 0.429 286 N N 1.390 120.117 118.700 0.044 0.000 2.365 286 N HA 0.007 4.747 4.740 -0.000 0.000 0.265 286 N C 0.715 176.391 175.510 0.276 0.000 1.288 286 N CA 0.669 53.763 53.050 0.073 0.000 0.869 286 N CB 0.818 39.330 38.487 0.041 0.000 1.071 286 N HN 0.165 nan 8.380 nan 0.000 0.480 287 M N 2.413 122.151 119.600 0.231 0.000 2.337 287 M HA 0.168 4.648 4.480 -0.000 0.000 0.256 287 M C 1.593 178.032 176.300 0.233 0.000 1.075 287 M CA 0.038 55.455 55.300 0.195 0.000 1.024 287 M CB -0.890 31.791 32.600 0.134 0.000 1.429 287 M HN 0.634 nan 8.290 nan 0.000 0.497 288 A N 0.667 123.646 122.820 0.265 0.000 2.032 288 A HA -0.046 4.274 4.320 -0.000 0.000 0.221 288 A C 2.268 179.928 177.584 0.126 0.000 1.165 288 A CA 2.039 54.206 52.037 0.218 0.000 0.645 288 A CB -1.205 17.734 19.000 -0.101 0.000 0.807 288 A HN 0.508 nan 8.150 nan 0.000 0.453 289 G N -0.135 108.618 108.800 -0.078 0.000 2.422 289 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 289 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 289 G C 1.196 176.010 174.900 -0.143 0.000 1.140 289 G CA 0.816 45.798 45.100 -0.197 0.000 0.775 289 G HN 0.592 nan 8.290 nan 0.000 0.545 290 N N -0.237 118.401 118.700 -0.103 0.000 2.521 290 N HA -0.012 4.728 4.740 -0.000 0.000 0.188 290 N C 0.777 176.253 175.510 -0.056 0.000 1.146 290 N CA 0.334 53.335 53.050 -0.082 0.000 0.893 290 N CB 0.127 38.576 38.487 -0.063 0.000 0.975 290 N HN 0.226 nan 8.380 nan 0.000 0.451 291 C N 0.631 119.905 119.300 -0.044 0.000 2.994 291 C HA 0.416 4.876 4.460 -0.000 0.000 0.284 291 C C 0.759 175.570 174.990 -0.299 0.000 1.404 291 C CA -0.945 57.944 59.018 -0.214 0.000 1.775 291 C CB -1.091 26.437 27.740 -0.354 0.000 2.458 291 C HN 0.135 nan 8.230 nan 0.000 0.593 292 I N 2.377 122.920 120.570 -0.046 0.000 2.505 292 I HA 0.026 4.196 4.170 -0.000 0.000 0.287 292 I C 1.587 177.692 176.117 -0.021 0.000 1.104 292 I CA 0.684 62.008 61.300 0.041 0.000 1.387 292 I CB 0.994 39.038 38.000 0.074 0.000 1.404 292 I HN 0.342 nan 8.210 nan 0.000 0.528 293 S N 2.770 118.459 115.700 -0.018 0.000 2.456 293 S HA 0.103 4.573 4.470 -0.000 0.000 0.224 293 S C 0.499 175.107 174.600 0.013 0.000 1.035 293 S CA -0.033 58.155 58.200 -0.020 0.000 0.940 293 S CB 0.118 63.297 63.200 -0.034 0.000 0.799 293 S HN 0.630 nan 8.310 nan 0.000 0.508 294 D N 0.731 121.155 120.400 0.041 0.000 2.473 294 D HA 0.400 5.040 4.640 -0.000 0.000 0.253 294 D C -0.163 176.178 176.300 0.069 0.000 1.233 294 D CA -0.419 53.609 54.000 0.047 0.000 0.908 294 D CB 1.795 42.622 40.800 0.046 0.000 1.170 294 D HN -0.029 nan 8.370 nan 0.000 0.558 295 D N 2.583 123.022 120.400 0.065 0.000 2.117 295 D HA -0.088 4.552 4.640 -0.000 0.000 0.198 295 D C 1.832 178.182 176.300 0.084 0.000 0.982 295 D CA 1.493 55.551 54.000 0.096 0.000 0.828 295 D CB 0.343 41.201 40.800 0.096 0.000 0.967 295 D HN 0.407 nan 8.370 nan 0.000 0.464 296 A N 0.371 123.222 122.820 0.051 0.000 1.933 296 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 296 A C 2.318 179.943 177.584 0.069 0.000 1.175 296 A CA 2.098 54.158 52.037 0.038 0.000 0.628 296 A CB -0.937 18.071 19.000 0.014 0.000 0.814 296 A HN 0.322 nan 8.150 nan 0.000 0.444 297 A N -1.088 121.778 122.820 0.076 0.000 1.898 297 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 297 A C 2.301 179.954 177.584 0.115 0.000 1.181 297 A CA 1.587 53.686 52.037 0.104 0.000 0.620 297 A CB -1.176 17.876 19.000 0.086 0.000 0.819 297 A HN 0.591 nan 8.150 nan 0.000 0.442 298 C N -1.026 118.337 119.300 0.104 0.000 2.446 298 C HA -0.039 4.421 4.460 -0.000 0.000 0.277 298 C C 2.845 177.885 174.990 0.083 0.000 1.275 298 C CA 0.948 60.025 59.018 0.097 0.000 1.727 298 C CB -1.298 26.523 27.740 0.135 0.000 2.010 298 C HN 0.597 nan 8.230 nan 0.000 0.486 299 R N -0.127 120.423 120.500 0.083 0.000 2.083 299 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 299 R C 2.160 178.472 176.300 0.020 0.000 1.137 299 R CA 2.130 58.233 56.100 0.006 0.000 0.951 299 R CB -0.637 29.629 30.300 -0.058 0.000 0.851 299 R HN 0.708 nan 8.270 nan 0.000 0.434 300 H N 0.415 119.470 119.070 -0.025 0.000 2.326 300 H HA 0.012 4.568 4.556 -0.000 0.000 0.301 300 H C 1.830 177.144 175.328 -0.024 0.000 1.081 300 H CA 1.805 57.838 56.048 -0.025 0.000 1.334 300 H CB -0.163 29.588 29.762 -0.017 0.000 1.385 300 H HN 0.233 nan 8.280 nan 0.000 0.504 301 A N -0.277 122.451 122.820 -0.153 0.000 1.933 301 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 301 A C 2.534 180.004 177.584 -0.190 0.000 1.175 301 A CA 1.871 53.789 52.037 -0.198 0.000 0.628 301 A CB -0.707 18.253 19.000 -0.065 0.000 0.814 301 A HN 0.535 nan 8.150 nan 0.000 0.444 302 S N -0.528 115.092 115.700 -0.133 0.000 2.414 302 S HA -0.082 4.388 4.470 -0.000 0.000 0.227 302 S C 1.735 176.265 174.600 -0.115 0.000 1.022 302 S CA 1.139 59.263 58.200 -0.127 0.000 0.958 302 S CB -0.169 62.986 63.200 -0.074 0.000 0.797 302 S HN 0.705 nan 8.310 nan 0.000 0.493 303 E N 0.943 121.070 120.200 -0.122 0.000 2.150 303 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 303 E C 2.194 178.723 176.600 -0.118 0.000 0.985 303 E CA 0.715 57.052 56.400 -0.105 0.000 0.814 303 E CB 0.013 29.665 29.700 -0.080 0.000 0.752 303 E HN 0.323 nan 8.360 nan 0.000 0.466 304 Q N 0.341 120.024 119.800 -0.195 0.000 2.167 304 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 304 Q C 1.956 177.909 176.000 -0.078 0.000 0.970 304 Q CA 1.085 56.794 55.803 -0.156 0.000 0.855 304 Q CB -0.095 28.492 28.738 -0.251 0.000 0.911 304 Q HN 0.200 nan 8.270 nan 0.000 0.438 305 E N 0.976 121.119 120.200 -0.095 0.000 2.072 305 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 305 E C 1.901 178.496 176.600 -0.008 0.000 0.985 305 E CA 0.811 57.178 56.400 -0.057 0.000 0.801 305 E CB -0.278 29.355 29.700 -0.111 0.000 0.750 305 E HN 0.330 nan 8.360 nan 0.000 0.452 306 I N 0.330 120.886 120.570 -0.023 0.000 2.151 306 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 306 I C 2.270 178.402 176.117 0.025 0.000 1.080 306 I CA 1.272 62.566 61.300 -0.011 0.000 1.339 306 I CB -0.325 37.651 38.000 -0.041 0.000 1.039 306 I HN 0.179 nan 8.210 nan 0.000 0.409 307 I N 0.180 120.772 120.570 0.035 0.000 2.179 307 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 307 I C 2.702 178.960 176.117 0.234 0.000 1.088 307 I CA 1.387 62.757 61.300 0.117 0.000 1.357 307 I CB -0.506 37.566 38.000 0.120 0.000 1.051 307 I HN 0.140 nan 8.210 nan 0.000 0.409 308 R N 0.441 121.041 120.500 0.166 0.000 2.091 308 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 308 R C 2.449 178.839 176.300 0.149 0.000 1.136 308 R CA 1.140 57.341 56.100 0.168 0.000 0.959 308 R CB -0.320 30.027 30.300 0.078 0.000 0.856 308 R HN 0.314 nan 8.270 nan 0.000 0.437 309 R N -0.223 120.338 120.500 0.101 0.000 2.115 309 R HA -0.137 4.203 4.340 -0.000 0.000 0.230 309 R C 2.051 178.398 176.300 0.078 0.000 1.111 309 R CA 1.108 57.249 56.100 0.067 0.000 0.976 309 R CB -0.673 29.647 30.300 0.034 0.000 0.870 309 R HN 0.343 nan 8.270 nan 0.000 0.445 310 Y N 0.729 120.995 120.300 -0.057 0.000 2.114 310 Y HA -0.196 4.354 4.550 -0.000 0.000 0.284 310 Y C 1.935 177.744 175.900 -0.152 0.000 1.143 310 Y CA 1.254 59.259 58.100 -0.159 0.000 1.135 310 Y CB -0.605 37.679 38.460 -0.294 0.000 0.980 310 Y HN -0.146 nan 8.280 nan 0.000 0.499 311 F N 0.637 120.480 119.950 -0.178 0.000 2.186 311 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 311 F C 2.289 177.982 175.800 -0.179 0.000 1.090 311 F CA 1.616 59.465 58.000 -0.251 0.000 1.307 311 F CB -0.432 38.534 39.000 -0.058 0.000 1.019 311 F HN -0.043 nan 8.300 nan 0.000 0.489 312 K N -0.316 120.132 120.400 0.079 0.000 2.288 312 K HA 0.000 4.320 4.320 -0.000 0.000 0.201 312 K C 2.170 178.759 176.600 -0.019 0.000 1.048 312 K CA 0.793 57.096 56.287 0.027 0.000 0.956 312 K CB -0.219 32.303 32.500 0.036 0.000 0.746 312 K HN 0.213 nan 8.250 nan 0.000 0.461 313 A N 1.250 124.039 122.820 -0.052 0.000 1.874 313 A HA -0.046 4.274 4.320 -0.000 0.000 0.214 313 A C 2.036 179.561 177.584 -0.098 0.000 1.189 313 A CA 0.767 52.765 52.037 -0.064 0.000 0.615 313 A CB -0.467 18.502 19.000 -0.052 0.000 0.830 313 A HN 0.118 nan 8.150 nan 0.000 0.443 314 L N -0.338 120.770 121.223 -0.192 0.000 2.043 314 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 314 L C 2.525 179.330 176.870 -0.108 0.000 1.075 314 L CA 1.269 55.992 54.840 -0.196 0.000 0.752 314 L CB -0.484 41.373 42.059 -0.336 0.000 0.891 314 L HN 0.260 nan 8.230 nan 0.000 0.432 315 V N -0.838 119.027 119.914 -0.081 0.000 2.379 315 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 315 V C 2.499 178.569 176.094 -0.040 0.000 1.044 315 V CA 1.465 63.721 62.300 -0.073 0.000 1.036 315 V CB -0.387 31.399 31.823 -0.062 0.000 0.664 315 V HN 0.414 nan 8.190 nan 0.000 0.453 316 E N 0.115 120.300 120.200 -0.026 0.000 2.110 316 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 316 E C 2.199 178.800 176.600 0.002 0.000 0.988 316 E CA 1.364 57.761 56.400 -0.005 0.000 0.804 316 E CB 0.026 29.722 29.700 -0.007 0.000 0.745 316 E HN 0.700 nan 8.360 nan 0.000 0.458 317 E N -0.063 120.130 120.200 -0.013 0.000 2.107 317 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 317 E C 1.911 178.522 176.600 0.019 0.000 0.982 317 E CA 0.850 57.249 56.400 -0.002 0.000 0.809 317 E CB -0.019 29.671 29.700 -0.017 0.000 0.756 317 E HN 0.192 nan 8.360 nan 0.000 0.459 318 A N 1.111 123.936 122.820 0.008 0.000 1.968 318 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 318 A C 1.987 179.666 177.584 0.158 0.000 1.169 318 A CA 0.913 52.977 52.037 0.045 0.000 0.638 318 A CB -0.142 18.809 19.000 -0.081 0.000 0.812 318 A HN 0.043 nan 8.150 nan 0.000 0.446 319 R N -0.658 119.915 120.500 0.121 0.000 2.093 319 R HA -0.045 4.295 4.340 -0.000 0.000 0.224 319 R C 1.953 178.315 176.300 0.103 0.000 1.101 319 R CA 1.675 57.873 56.100 0.162 0.000 0.979 319 R CB -0.363 30.003 30.300 0.111 0.000 0.877 319 R HN 0.672 nan 8.270 nan 0.000 0.441 320 T N -3.057 111.537 114.554 0.066 0.000 3.086 320 T HA 0.190 4.540 4.350 -0.000 0.000 0.250 320 T C 1.151 175.874 174.700 0.039 0.000 1.074 320 T CA 0.358 62.484 62.100 0.043 0.000 0.988 320 T CB 0.808 69.693 68.868 0.029 0.000 0.988 320 T HN 0.351 nan 8.240 nan 0.000 0.530 321 G N 1.986 110.817 108.800 0.051 0.000 2.272 321 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.280 321 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.280 321 G C -0.239 174.679 174.900 0.029 0.000 1.067 321 G CA 0.131 45.257 45.100 0.044 0.000 0.902 321 G HN 0.676 nan 8.290 nan 0.000 0.500 322 K N 0.063 120.478 120.400 0.025 0.000 2.211 322 K HA 0.525 4.845 4.320 -0.000 0.000 0.237 322 K C 0.245 176.853 176.600 0.013 0.000 1.002 322 K CA -0.645 55.651 56.287 0.016 0.000 0.885 322 K CB 1.270 33.777 32.500 0.012 0.000 1.136 322 K HN 0.310 nan 8.250 nan 0.000 0.448 323 D N -0.425 119.981 120.400 0.010 0.000 2.377 323 D HA -0.053 4.587 4.640 -0.000 0.000 0.245 323 D C -0.083 176.220 176.300 0.005 0.000 1.196 323 D CA -0.425 53.580 54.000 0.008 0.000 0.962 323 D CB 0.698 41.503 40.800 0.008 0.000 1.127 323 D HN 0.421 nan 8.370 nan 0.000 0.471 324 S N -0.496 115.207 115.700 0.005 0.000 4.069 324 S HA 0.112 4.582 4.470 -0.000 0.000 0.192 324 S C 0.817 175.421 174.600 0.007 0.000 1.441 324 S CA -0.636 57.566 58.200 0.004 0.000 0.994 324 S CB -0.537 62.669 63.200 0.010 0.000 1.456 324 S HN 0.469 nan 8.310 nan 0.000 0.458 325 T N 2.706 117.261 114.554 0.003 0.000 2.739 325 T HA -0.125 4.225 4.350 -0.000 0.000 0.249 325 T C 2.048 176.749 174.700 0.002 0.000 1.050 325 T CA 1.402 63.503 62.100 0.002 0.000 1.165 325 T CB -0.297 68.571 68.868 0.000 0.000 0.872 325 T HN 0.830 nan 8.240 nan 0.000 0.411 326 Q N 1.702 121.501 119.800 -0.002 0.000 2.311 326 Q HA 0.015 4.355 4.340 -0.000 0.000 0.203 326 Q C 2.229 178.236 176.000 0.012 0.000 0.954 326 Q CA 1.407 57.207 55.803 -0.004 0.000 0.885 326 Q CB -0.436 28.293 28.738 -0.014 0.000 0.963 326 Q HN 0.559 nan 8.270 nan 0.000 0.471 327 S N 0.557 116.268 115.700 0.019 0.000 2.414 327 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 327 S C 1.204 175.891 174.600 0.144 0.000 1.022 327 S CA 0.892 59.134 58.200 0.070 0.000 0.958 327 S CB -0.078 63.107 63.200 -0.025 0.000 0.797 327 S HN 0.233 nan 8.310 nan 0.000 0.493 328 D N 1.531 121.972 120.400 0.069 0.000 2.144 328 D HA 0.004 4.644 4.640 -0.000 0.000 0.200 328 D C 2.162 178.466 176.300 0.006 0.000 0.978 328 D CA 0.659 54.682 54.000 0.038 0.000 0.833 328 D CB -0.320 40.491 40.800 0.017 0.000 0.961 328 D HN 0.216 nan 8.370 nan 0.000 0.470 329 R N 0.757 121.260 120.500 0.006 0.000 2.073 329 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 329 R C 1.939 178.227 176.300 -0.020 0.000 1.134 329 R CA 1.339 57.432 56.100 -0.012 0.000 0.952 329 R CB -0.421 29.870 30.300 -0.015 0.000 0.850 329 R HN 0.138 nan 8.270 nan 0.000 0.433 330 A N 0.234 123.059 122.820 0.008 0.000 2.067 330 A HA -0.007 4.313 4.320 -0.000 0.000 0.219 330 A C 2.206 179.748 177.584 -0.070 0.000 1.158 330 A CA 1.454 53.495 52.037 0.008 0.000 0.661 330 A CB -0.353 18.698 19.000 0.084 0.000 0.801 330 A HN 0.443 nan 8.150 nan 0.000 0.452 331 A N -0.676 122.077 122.820 -0.111 0.000 2.014 331 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 331 A C 2.106 179.573 177.584 -0.194 0.000 1.163 331 A CA 1.423 53.279 52.037 -0.302 0.000 0.652 331 A CB -0.528 18.300 19.000 -0.287 0.000 0.808 331 A HN 0.307 nan 8.150 nan 0.000 0.449 332 V N -0.424 119.423 119.914 -0.111 0.000 2.379 332 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 332 V C 2.591 178.637 176.094 -0.081 0.000 1.044 332 V CA 1.845 64.095 62.300 -0.083 0.000 1.036 332 V CB -0.348 31.444 31.823 -0.052 0.000 0.664 332 V HN 0.496 nan 8.190 nan 0.000 0.453 333 V N -0.815 119.053 119.914 -0.077 0.000 2.626 333 V HA -0.261 3.859 4.120 -0.000 0.000 0.252 333 V C 2.147 178.191 176.094 -0.084 0.000 1.067 333 V CA 2.256 64.517 62.300 -0.066 0.000 1.081 333 V CB -0.257 31.535 31.823 -0.052 0.000 0.686 333 V HN 0.539 nan 8.190 nan 0.000 0.468 334 M N 0.206 119.731 119.600 -0.125 0.000 2.080 334 M HA -0.102 4.378 4.480 -0.000 0.000 0.260 334 M C 2.287 178.514 176.300 -0.123 0.000 1.068 334 M CA 2.464 57.673 55.300 -0.151 0.000 1.109 334 M CB -0.402 32.042 32.600 -0.260 0.000 1.342 334 M HN 0.527 nan 8.290 nan 0.000 0.405 335 A N 0.015 122.764 122.820 -0.118 0.000 1.933 335 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 335 A C 2.009 179.553 177.584 -0.066 0.000 1.175 335 A CA 1.759 53.742 52.037 -0.090 0.000 0.628 335 A CB -0.564 18.386 19.000 -0.083 0.000 0.814 335 A HN 0.502 nan 8.150 nan 0.000 0.444 336 K N -0.395 119.969 120.400 -0.059 0.000 2.211 336 K HA 0.006 4.326 4.320 -0.000 0.000 0.203 336 K C 1.962 178.536 176.600 -0.044 0.000 1.050 336 K CA 0.971 57.233 56.287 -0.042 0.000 0.945 336 K CB -0.201 32.280 32.500 -0.032 0.000 0.732 336 K HN 0.449 nan 8.250 nan 0.000 0.451 337 A N 0.506 123.294 122.820 -0.054 0.000 2.132 337 A HA 0.176 4.496 4.320 -0.000 0.000 0.213 337 A C 1.319 178.868 177.584 -0.057 0.000 1.154 337 A CA 0.746 52.748 52.037 -0.058 0.000 0.753 337 A CB -0.170 18.793 19.000 -0.062 0.000 0.826 337 A HN 0.358 nan 8.150 nan 0.000 0.469 338 G N -0.058 108.707 108.800 -0.058 0.000 2.225 338 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.264 338 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.264 338 G C 0.049 174.917 174.900 -0.054 0.000 1.060 338 G CA 0.532 45.600 45.100 -0.053 0.000 0.833 338 G HN 1.413 nan 8.290 nan 0.000 0.498 339 I N -4.175 116.355 120.570 -0.067 0.000 3.108 339 I HA 1.046 5.216 4.170 -0.000 0.000 0.312 339 I C -0.452 175.612 176.117 -0.089 0.000 1.095 339 I CA -1.800 59.461 61.300 -0.064 0.000 1.000 339 I CB 2.319 40.285 38.000 -0.057 0.000 1.229 339 I HN -0.019 nan 8.210 nan 0.000 0.454 340 K N 1.367 121.721 120.400 -0.076 0.000 2.466 340 K HA 0.754 5.074 4.320 -0.000 0.000 0.260 340 K C 0.234 176.796 176.600 -0.063 0.000 1.011 340 K CA -0.077 56.153 56.287 -0.096 0.000 0.871 340 K CB 1.970 34.428 32.500 -0.071 0.000 1.404 340 K HN 0.702 nan 8.250 nan 0.000 0.450 341 A N 0.341 123.124 122.820 -0.062 0.000 2.076 341 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 341 A C 1.420 179.054 177.584 0.084 0.000 1.160 341 A CA 2.232 54.301 52.037 0.054 0.000 0.653 341 A CB -0.790 18.270 19.000 0.099 0.000 0.801 341 A HN 0.647 nan 8.150 nan 0.000 0.455 342 S N -0.199 115.517 115.700 0.027 0.000 2.399 342 S HA -0.228 4.242 4.470 -0.000 0.000 0.231 342 S C 1.854 176.457 174.600 0.005 0.000 1.022 342 S CA 1.589 59.794 58.200 0.008 0.000 0.983 342 S CB -0.293 62.905 63.200 -0.003 0.000 0.803 342 S HN 0.754 nan 8.310 nan 0.000 0.480 343 Q N 0.502 120.308 119.800 0.011 0.000 2.364 343 Q HA 0.051 4.391 4.340 -0.000 0.000 0.207 343 Q C 1.082 177.100 176.000 0.030 0.000 0.970 343 Q CA 0.365 56.179 55.803 0.019 0.000 0.888 343 Q CB -0.020 28.727 28.738 0.015 0.000 0.951 343 Q HN 0.345 nan 8.270 nan 0.000 0.469 344 R N 0.949 121.467 120.500 0.030 0.000 2.291 344 R HA 0.032 4.372 4.340 -0.000 0.000 0.333 344 R C 0.776 177.067 176.300 -0.016 0.000 1.082 344 R CA -0.147 55.964 56.100 0.017 0.000 0.948 344 R CB 0.458 30.783 30.300 0.042 0.000 1.009 344 R HN 0.065 nan 8.270 nan 0.000 0.460 345 V N 5.235 125.147 119.914 -0.003 0.000 2.913 345 V HA -0.149 3.971 4.120 -0.000 0.000 0.260 345 V C 1.494 177.566 176.094 -0.037 0.000 1.098 345 V CA 1.901 64.193 62.300 -0.013 0.000 1.121 345 V CB 0.280 32.106 31.823 0.005 0.000 0.714 345 V HN 0.756 nan 8.190 nan 0.000 0.487 346 V N -3.316 116.566 119.914 -0.053 0.000 3.633 346 V HA 0.146 4.266 4.120 -0.000 0.000 0.283 346 V C 1.822 177.857 176.094 -0.099 0.000 1.305 346 V CA 0.933 63.196 62.300 -0.061 0.000 1.153 346 V CB 0.054 31.847 31.823 -0.050 0.000 0.950 346 V HN 0.211 nan 8.190 nan 0.000 0.432 347 V N 0.732 120.542 119.914 -0.173 0.000 2.283 347 V HA -0.069 4.051 4.120 -0.000 0.000 0.239 347 V C 2.629 178.622 176.094 -0.169 0.000 1.035 347 V CA 2.116 64.208 62.300 -0.347 0.000 1.018 347 V CB -0.367 31.214 31.823 -0.403 0.000 0.658 347 V HN 0.504 nan 8.190 nan 0.000 0.459 348 E N 0.035 120.180 120.200 -0.092 0.000 2.077 348 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 348 E C -0.310 176.273 176.600 -0.028 0.000 0.989 348 E CA 1.703 58.077 56.400 -0.044 0.000 0.800 348 E CB -1.030 28.653 29.700 -0.027 0.000 0.746 348 E HN 0.521 nan 8.360 nan 0.000 0.452 349 P HA -0.225 nan 4.420 nan 0.000 0.216 349 P C 0.957 178.251 177.300 -0.011 0.000 1.150 349 P CA 1.914 65.002 63.100 -0.021 0.000 0.843 349 P CB 0.006 31.689 31.700 -0.028 0.000 0.787 350 A N 0.598 123.417 122.820 -0.002 0.000 1.898 350 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 350 A C 2.096 179.697 177.584 0.028 0.000 1.181 350 A CA 1.379 53.430 52.037 0.023 0.000 0.620 350 A CB -0.900 18.148 19.000 0.081 0.000 0.819 350 A HN 0.235 nan 8.150 nan 0.000 0.442 351 R N -0.482 120.036 120.500 0.031 0.000 2.297 351 R HA 0.117 4.457 4.340 -0.000 0.000 0.197 351 R C 1.616 177.924 176.300 0.014 0.000 0.943 351 R CA 0.748 56.865 56.100 0.028 0.000 1.038 351 R CB -0.286 30.038 30.300 0.040 0.000 0.957 351 R HN 0.571 nan 8.270 nan 0.000 0.484 352 Q N 1.055 120.858 119.800 0.006 0.000 2.119 352 Q HA -0.046 4.294 4.340 -0.000 0.000 0.201 352 Q C 2.105 178.107 176.000 0.002 0.000 0.972 352 Q CA 1.434 57.238 55.803 0.002 0.000 0.847 352 Q CB 0.115 28.851 28.738 -0.003 0.000 0.903 352 Q HN 0.152 nan 8.270 nan 0.000 0.433 353 V N 1.053 120.968 119.914 0.001 0.000 2.343 353 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 353 V C 2.127 178.222 176.094 0.003 0.000 1.051 353 V CA 1.988 64.288 62.300 0.000 0.000 1.036 353 V CB -0.491 31.330 31.823 -0.002 0.000 0.654 353 V HN 0.409 nan 8.190 nan 0.000 0.451 354 E N -0.190 120.014 120.200 0.006 0.000 2.150 354 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 354 E C 2.198 178.803 176.600 0.008 0.000 0.985 354 E CA 1.261 57.666 56.400 0.007 0.000 0.814 354 E CB 0.024 29.731 29.700 0.011 0.000 0.752 354 E HN 0.690 nan 8.360 nan 0.000 0.466 355 E N -0.140 120.066 120.200 0.009 0.000 2.152 355 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 355 E C 2.142 178.746 176.600 0.006 0.000 0.983 355 E CA 0.851 57.256 56.400 0.009 0.000 0.818 355 E CB 0.037 29.742 29.700 0.009 0.000 0.758 355 E HN 0.216 nan 8.360 nan 0.000 0.467 356 R N 0.325 120.827 120.500 0.005 0.000 2.280 356 R HA 0.040 4.380 4.340 -0.000 0.000 0.195 356 R C 1.701 178.003 176.300 0.003 0.000 0.935 356 R CA 1.438 57.541 56.100 0.004 0.000 1.033 356 R CB 0.066 30.367 30.300 0.002 0.000 0.964 356 R HN 0.057 nan 8.270 nan 0.000 0.489 357 T N -4.303 110.253 114.554 0.003 0.000 2.964 357 T HA 0.188 4.538 4.350 -0.000 0.000 0.249 357 T C 0.727 175.430 174.700 0.004 0.000 1.000 357 T CA 0.301 62.403 62.100 0.003 0.000 0.992 357 T CB 0.264 69.133 68.868 0.001 0.000 1.087 357 T HN 0.119 nan 8.240 nan 0.000 0.489 358 S N 0.749 116.452 115.700 0.006 0.000 3.635 358 S HA -0.088 4.382 4.470 -0.000 0.000 0.328 358 S C -0.276 174.329 174.600 0.008 0.000 1.135 358 S CA 0.512 58.716 58.200 0.008 0.000 0.942 358 S CB -1.969 61.236 63.200 0.008 0.000 0.930 358 S HN 0.680 nan 8.310 nan 0.000 0.512 359 L N -0.289 120.937 121.223 0.005 0.000 2.424 359 L HA 0.514 4.854 4.340 -0.000 0.000 0.258 359 L C -2.458 174.413 176.870 0.001 0.000 0.995 359 L CA -2.710 52.132 54.840 0.004 0.000 0.821 359 L CB 1.809 43.868 42.059 -0.000 0.000 1.383 359 L HN -0.204 nan 8.230 nan 0.000 0.410 360 P HA -0.030 nan 4.420 nan 0.000 0.261 360 P C -0.455 176.839 177.300 -0.010 0.000 1.158 360 P CA 0.343 63.439 63.100 -0.007 0.000 0.758 360 P CB 0.390 32.086 31.700 -0.006 0.000 0.763 361 G N 1.173 109.964 108.800 -0.014 0.000 2.568 361 G HA2 0.631 4.591 3.960 -0.000 0.000 0.313 361 G HA3 0.631 4.591 3.960 -0.000 0.000 0.313 361 G C -1.537 173.349 174.900 -0.024 0.000 1.227 361 G CA -0.480 44.613 45.100 -0.012 0.000 0.979 361 G HN 0.687 nan 8.290 nan 0.000 0.486 362 C N -0.544 118.745 119.300 -0.018 0.000 3.181 362 C HA 0.861 5.321 4.460 -0.000 0.000 0.362 362 C C -0.706 174.268 174.990 -0.027 0.000 1.125 362 C CA 0.365 59.364 59.018 -0.032 0.000 1.265 362 C CB 0.528 28.259 27.740 -0.016 0.000 1.632 362 C HN 1.603 nan 8.230 nan 0.000 0.525 363 A N 4.840 127.634 122.820 -0.043 0.000 2.547 363 A HA 0.819 5.139 4.320 -0.000 0.000 0.297 363 A C -1.585 175.957 177.584 -0.071 0.000 1.056 363 A CA -0.346 51.664 52.037 -0.045 0.000 0.688 363 A CB 1.189 20.170 19.000 -0.031 0.000 1.282 363 A HN 1.288 nan 8.150 nan 0.000 0.400 364 I N 0.696 121.225 120.570 -0.068 0.000 2.646 364 I HA 0.536 4.706 4.170 -0.000 0.000 0.299 364 I C -0.295 175.782 176.117 -0.066 0.000 1.036 364 I CA -0.459 60.794 61.300 -0.078 0.000 1.074 364 I CB 1.764 39.723 38.000 -0.069 0.000 1.258 364 I HN 0.829 nan 8.210 nan 0.000 0.430 365 E N 6.237 126.402 120.200 -0.058 0.000 2.156 365 E HA 0.339 4.689 4.350 -0.000 0.000 0.279 365 E C -1.338 175.240 176.600 -0.036 0.000 0.965 365 E CA -0.749 55.623 56.400 -0.046 0.000 0.789 365 E CB 1.336 31.019 29.700 -0.028 0.000 1.098 365 E HN 0.443 nan 8.360 nan 0.000 0.397 366 L N 4.022 125.220 121.223 -0.041 0.000 2.475 366 L HA 0.060 4.400 4.340 -0.000 0.000 0.253 366 L C 1.381 178.254 176.870 0.005 0.000 1.198 366 L CA 0.493 55.324 54.840 -0.015 0.000 0.814 366 L CB 1.016 43.066 42.059 -0.016 0.000 1.134 366 L HN 0.584 nan 8.230 nan 0.000 0.478 367 V N 1.265 121.192 119.914 0.021 0.000 2.490 367 V HA -0.209 3.911 4.120 -0.000 0.000 0.250 367 V C 1.903 178.015 176.094 0.029 0.000 1.061 367 V CA 2.129 64.445 62.300 0.027 0.000 1.064 367 V CB -0.514 31.328 31.823 0.032 0.000 0.670 367 V HN 1.072 nan 8.190 nan 0.000 0.461 368 D N -0.886 119.536 120.400 0.037 0.000 2.269 368 D HA 0.060 4.700 4.640 -0.000 0.000 0.208 368 D C 1.575 177.890 176.300 0.026 0.000 0.963 368 D CA 1.354 55.380 54.000 0.043 0.000 0.864 368 D CB 0.354 41.202 40.800 0.080 0.000 0.936 368 D HN 0.694 nan 8.370 nan 0.000 0.505 369 G N -0.217 108.588 108.800 0.008 0.000 2.231 369 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.206 369 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.206 369 G C 0.268 175.150 174.900 -0.030 0.000 0.996 369 G CA 0.182 45.279 45.100 -0.006 0.000 0.645 369 G HN 0.405 nan 8.290 nan 0.000 0.498 370 S N 1.128 116.794 115.700 -0.058 0.000 2.576 370 S HA 0.561 5.031 4.470 -0.000 0.000 0.276 370 S C 0.534 175.054 174.600 -0.133 0.000 1.339 370 S CA -0.123 58.005 58.200 -0.120 0.000 1.039 370 S CB 0.655 63.699 63.200 -0.260 0.000 0.902 370 S HN 0.288 nan 8.310 nan 0.000 0.516 371 I N 3.821 124.323 120.570 -0.113 0.000 2.297 371 I HA 0.320 4.490 4.170 -0.000 0.000 0.291 371 I C -0.392 175.658 176.117 -0.111 0.000 1.033 371 I CA -0.354 60.890 61.300 -0.093 0.000 1.253 371 I CB 0.311 38.275 38.000 -0.060 0.000 1.396 371 I HN 0.415 nan 8.210 nan 0.000 0.476 372 I N 6.484 126.988 120.570 -0.110 0.000 2.355 372 I HA 0.246 4.416 4.170 -0.000 0.000 0.288 372 I C 0.914 176.998 176.117 -0.055 0.000 0.999 372 I CA -0.028 61.215 61.300 -0.095 0.000 1.163 372 I CB 1.694 39.629 38.000 -0.108 0.000 1.316 372 I HN 0.622 nan 8.210 nan 0.000 0.454 373 T N 2.114 116.644 114.554 -0.040 0.000 2.884 373 T HA 0.914 5.264 4.350 -0.000 0.000 0.277 373 T C 0.058 174.748 174.700 -0.016 0.000 0.976 373 T CA -0.856 61.229 62.100 -0.026 0.000 0.956 373 T CB 1.725 70.580 68.868 -0.022 0.000 1.113 373 T HN 0.752 nan 8.240 nan 0.000 0.554 374 G N -0.789 108.005 108.800 -0.010 0.000 2.734 374 G HA2 0.663 4.623 3.960 -0.000 0.000 0.293 374 G HA3 0.663 4.623 3.960 -0.000 0.000 0.293 374 G C -1.146 173.751 174.900 -0.006 0.000 1.422 374 G CA -0.480 44.617 45.100 -0.004 0.000 1.177 374 G HN 0.990 nan 8.290 nan 0.000 0.565 375 A N 1.336 124.151 122.820 -0.008 0.000 2.330 375 A HA 0.890 5.210 4.320 -0.000 0.000 0.329 375 A C 0.343 177.921 177.584 -0.011 0.000 1.135 375 A CA -0.611 51.421 52.037 -0.008 0.000 0.817 375 A CB 1.271 20.266 19.000 -0.007 0.000 1.269 375 A HN 0.730 nan 8.150 nan 0.000 0.469 376 T N 2.458 117.005 114.554 -0.012 0.000 2.752 376 T HA 0.429 4.779 4.350 -0.000 0.000 0.295 376 T C 0.836 175.527 174.700 -0.015 0.000 0.923 376 T CA 0.424 62.513 62.100 -0.018 0.000 1.112 376 T CB -0.111 68.746 68.868 -0.018 0.000 0.884 376 T HN 0.909 nan 8.240 nan 0.000 0.525 377 S N 2.424 118.113 115.700 -0.017 0.000 2.748 377 S HA 0.387 4.857 4.470 -0.000 0.000 0.299 377 S C 0.789 175.381 174.600 -0.013 0.000 1.119 377 S CA -0.903 57.291 58.200 -0.011 0.000 0.997 377 S CB 1.005 64.201 63.200 -0.007 0.000 1.223 377 S HN 0.520 nan 8.310 nan 0.000 0.541 378 D N -0.078 120.319 120.400 -0.005 0.000 2.149 378 D HA -0.035 4.605 4.640 -0.000 0.000 0.201 378 D C 1.709 178.004 176.300 -0.008 0.000 0.972 378 D CA 0.878 54.875 54.000 -0.005 0.000 0.835 378 D CB -0.184 40.618 40.800 0.003 0.000 0.966 378 D HN 0.344 nan 8.370 nan 0.000 0.476 379 L N -0.113 121.108 121.223 -0.003 0.000 2.168 379 L HA 0.107 4.447 4.340 -0.000 0.000 0.203 379 L C 0.160 177.018 176.870 -0.020 0.000 1.078 379 L CA 0.873 55.712 54.840 -0.002 0.000 0.780 379 L CB 0.199 42.267 42.059 0.015 0.000 0.939 379 L HN -0.167 nan 8.230 nan 0.000 0.451 380 L N -0.564 120.643 121.223 -0.027 0.000 2.333 380 L HA 0.630 4.970 4.340 -0.000 0.000 0.269 380 L C 0.558 177.389 176.870 -0.065 0.000 1.010 380 L CA -0.381 54.433 54.840 -0.043 0.000 0.818 380 L CB 0.988 43.031 42.059 -0.027 0.000 1.306 380 L HN 0.056 nan 8.230 nan 0.000 0.430 381 G N -0.157 108.584 108.800 -0.099 0.000 2.572 381 G HA2 0.314 4.274 3.960 -0.000 0.000 0.261 381 G HA3 0.314 4.274 3.960 -0.000 0.000 0.261 381 G C 1.135 176.009 174.900 -0.044 0.000 1.197 381 G CA 0.098 45.135 45.100 -0.104 0.000 0.870 381 G HN 1.019 nan 8.290 nan 0.000 0.548 382 C N -0.400 118.886 119.300 -0.025 0.000 2.432 382 C HA -0.013 4.447 4.460 -0.000 0.000 0.280 382 C C 2.933 177.942 174.990 0.031 0.000 1.353 382 C CA 0.994 60.011 59.018 -0.001 0.000 1.766 382 C CB -1.249 26.488 27.740 -0.004 0.000 1.924 382 C HN 0.693 nan 8.230 nan 0.000 0.509 383 S N 2.096 117.834 115.700 0.063 0.000 2.387 383 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 383 S C 1.776 176.449 174.600 0.123 0.000 1.026 383 S CA 1.556 59.855 58.200 0.166 0.000 0.972 383 S CB -0.881 62.487 63.200 0.280 0.000 0.814 383 S HN 0.694 nan 8.310 nan 0.000 0.477 384 S N 2.059 117.780 115.700 0.035 0.000 2.383 384 S HA -0.073 4.396 4.470 -0.000 0.000 0.227 384 S C 2.142 176.750 174.600 0.015 0.000 1.026 384 S CA 1.193 59.397 58.200 0.006 0.000 0.981 384 S CB -0.673 62.513 63.200 -0.023 0.000 0.818 384 S HN 0.694 nan 8.310 nan 0.000 0.472 385 S N 1.644 117.349 115.700 0.010 0.000 2.368 385 S HA -0.060 4.410 4.470 -0.000 0.000 0.224 385 S C 1.934 176.544 174.600 0.015 0.000 1.029 385 S CA 1.237 59.438 58.200 0.002 0.000 0.988 385 S CB -0.433 62.763 63.200 -0.006 0.000 0.838 385 S HN 0.510 nan 8.310 nan 0.000 0.462 386 M N 0.537 120.158 119.600 0.035 0.000 2.117 386 M HA -0.047 4.433 4.480 -0.000 0.000 0.262 386 M C 2.014 178.348 176.300 0.056 0.000 1.065 386 M CA 1.461 56.785 55.300 0.039 0.000 1.114 386 M CB -0.376 32.254 32.600 0.049 0.000 1.361 386 M HN 0.415 nan 8.290 nan 0.000 0.408 387 L N 0.407 121.681 121.223 0.085 0.000 2.017 387 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 387 L C 2.392 179.292 176.870 0.050 0.000 1.073 387 L CA 1.391 56.283 54.840 0.087 0.000 0.745 387 L CB -0.634 41.479 42.059 0.089 0.000 0.894 387 L HN 0.431 nan 8.230 nan 0.000 0.432 388 L N -0.571 120.670 121.223 0.030 0.000 2.093 388 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 388 L C 2.303 179.183 176.870 0.017 0.000 1.085 388 L CA 0.916 55.766 54.840 0.016 0.000 0.755 388 L CB -0.646 41.412 42.059 -0.002 0.000 0.904 388 L HN 0.365 nan 8.230 nan 0.000 0.435 389 N N 0.445 119.155 118.700 0.016 0.000 2.142 389 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 389 N C 1.884 177.422 175.510 0.047 0.000 1.023 389 N CA 1.570 54.633 53.050 0.021 0.000 0.852 389 N CB -0.233 38.258 38.487 0.007 0.000 0.998 389 N HN 0.300 nan 8.380 nan 0.000 0.424 390 A N 0.594 123.439 122.820 0.042 0.000 1.929 390 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 390 A C 2.084 179.716 177.584 0.080 0.000 1.176 390 A CA 0.843 52.911 52.037 0.051 0.000 0.628 390 A CB -0.436 18.586 19.000 0.036 0.000 0.816 390 A HN 0.103 nan 8.150 nan 0.000 0.444 391 L N -0.293 120.968 121.223 0.063 0.000 2.141 391 L HA -0.055 4.285 4.340 -0.000 0.000 0.209 391 L C 2.261 179.163 176.870 0.054 0.000 1.094 391 L CA 1.787 56.660 54.840 0.056 0.000 0.763 391 L CB -0.668 41.416 42.059 0.042 0.000 0.908 391 L HN 0.320 nan 8.230 nan 0.000 0.437 392 K N -1.687 118.746 120.400 0.055 0.000 2.057 392 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 392 K C 2.264 178.898 176.600 0.057 0.000 1.050 392 K CA 0.881 57.194 56.287 0.044 0.000 0.935 392 K CB -0.202 32.318 32.500 0.033 0.000 0.715 392 K HN 0.314 nan 8.250 nan 0.000 0.439 393 H N 0.696 119.768 119.070 0.002 0.000 2.389 393 H HA -0.033 4.523 4.556 -0.000 0.000 0.299 393 H C 1.940 177.272 175.328 0.006 0.000 1.081 393 H CA 1.291 57.341 56.048 0.003 0.000 1.345 393 H CB 0.124 29.888 29.762 0.002 0.000 1.393 393 H HN 0.110 nan 8.280 nan 0.000 0.520 394 L N 0.110 121.416 121.223 0.138 0.000 2.056 394 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 394 L C 2.764 179.643 176.870 0.014 0.000 1.078 394 L CA 1.081 55.971 54.840 0.084 0.000 0.749 394 L CB -0.303 41.807 42.059 0.085 0.000 0.901 394 L HN 0.248 nan 8.230 nan 0.000 0.433 395 A N -0.993 121.832 122.820 0.008 0.000 2.218 395 A HA 0.263 4.583 4.320 -0.000 0.000 0.209 395 A C 1.713 179.280 177.584 -0.028 0.000 1.168 395 A CA 0.736 52.771 52.037 -0.004 0.000 0.804 395 A CB -0.332 18.673 19.000 0.007 0.000 0.834 395 A HN 0.518 nan 8.150 nan 0.000 0.482 396 G N -0.834 107.930 108.800 -0.061 0.000 2.143 396 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.249 396 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.249 396 G C 0.129 174.996 174.900 -0.054 0.000 0.981 396 G CA 0.245 45.296 45.100 -0.082 0.000 0.665 396 G HN 0.463 nan 8.290 nan 0.000 0.528 397 I N 1.424 121.975 120.570 -0.033 0.000 2.529 397 I HA 0.147 4.317 4.170 -0.000 0.000 0.284 397 I C 0.893 177.002 176.117 -0.014 0.000 1.082 397 I CA -0.445 60.846 61.300 -0.014 0.000 1.406 397 I CB 0.632 38.632 38.000 -0.000 0.000 1.405 397 I HN 0.111 nan 8.210 nan 0.000 0.548 398 D N 4.652 125.047 120.400 -0.008 0.000 2.472 398 D HA -0.117 4.523 4.640 -0.000 0.000 0.237 398 D C 0.557 176.859 176.300 0.003 0.000 1.141 398 D CA 0.309 54.308 54.000 -0.002 0.000 0.875 398 D CB 1.039 41.841 40.800 0.004 0.000 1.192 398 D HN 0.570 nan 8.370 nan 0.000 0.450 399 D N 2.155 122.559 120.400 0.005 0.000 2.219 399 D HA -0.075 4.565 4.640 -0.000 0.000 0.205 399 D C 1.712 178.002 176.300 -0.016 0.000 0.970 399 D CA 1.160 55.160 54.000 0.000 0.000 0.851 399 D CB 0.129 40.935 40.800 0.011 0.000 0.943 399 D HN 0.463 nan 8.370 nan 0.000 0.488 400 A N -0.092 122.731 122.820 0.004 0.000 2.066 400 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 400 A C 1.074 178.690 177.584 0.054 0.000 1.157 400 A CA 0.108 52.159 52.037 0.023 0.000 0.670 400 A CB -0.416 18.608 19.000 0.040 0.000 0.804 400 A HN 0.238 nan 8.150 nan 0.000 0.453 401 I N 1.619 122.212 120.570 0.038 0.000 2.505 401 I HA 0.028 4.198 4.170 -0.000 0.000 0.287 401 I C -0.170 175.976 176.117 0.049 0.000 1.104 401 I CA -0.344 60.998 61.300 0.070 0.000 1.387 401 I CB 0.141 38.166 38.000 0.042 0.000 1.404 401 I HN 0.232 nan 8.210 nan 0.000 0.528 402 H N 6.352 125.426 119.070 0.008 0.000 2.803 402 H HA 0.120 4.676 4.556 -0.000 0.000 0.330 402 H C 0.513 175.846 175.328 0.008 0.000 1.057 402 H CA -0.320 55.733 56.048 0.008 0.000 1.458 402 H CB 0.952 30.718 29.762 0.006 0.000 1.470 402 H HN 0.445 nan 8.280 nan 0.000 0.560 403 L N 1.394 122.667 121.223 0.084 0.000 2.638 403 L HA 0.289 4.629 4.340 -0.000 0.000 0.232 403 L C -0.030 176.873 176.870 0.055 0.000 1.099 403 L CA 0.098 54.972 54.840 0.056 0.000 0.883 403 L CB -0.436 41.640 42.059 0.028 0.000 1.136 403 L HN 0.273 nan 8.230 nan 0.000 0.492 404 L N 1.083 122.349 121.223 0.072 0.000 2.259 404 L HA 0.463 4.803 4.340 -0.000 0.000 0.288 404 L C 0.604 177.510 176.870 0.061 0.000 1.051 404 L CA 0.069 54.943 54.840 0.058 0.000 0.824 404 L CB 0.921 43.012 42.059 0.054 0.000 1.206 404 L HN 0.195 nan 8.230 nan 0.000 0.429 405 S N 5.603 121.326 115.700 0.040 0.000 2.549 405 S HA 0.274 4.744 4.470 -0.000 0.000 0.279 405 S C -1.593 173.021 174.600 0.023 0.000 1.321 405 S CA -0.927 57.289 58.200 0.028 0.000 1.054 405 S CB 0.841 64.053 63.200 0.020 0.000 0.899 405 S HN 0.481 nan 8.310 nan 0.000 0.497 406 P HA 0.006 nan 4.420 nan 0.000 0.230 406 P C 0.832 178.138 177.300 0.010 0.000 1.158 406 P CA 0.512 63.618 63.100 0.011 0.000 0.769 406 P CB 0.133 31.833 31.700 0.000 0.000 0.807 407 E N -0.308 119.898 120.200 0.010 0.000 2.268 407 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 407 E C 1.842 178.450 176.600 0.013 0.000 0.995 407 E CA 1.446 57.852 56.400 0.010 0.000 0.836 407 E CB -0.602 29.103 29.700 0.008 0.000 0.763 407 E HN 0.412 nan 8.360 nan 0.000 0.491 408 S N -0.380 115.329 115.700 0.015 0.000 2.497 408 S HA 0.133 4.603 4.470 -0.000 0.000 0.221 408 S C 2.087 176.698 174.600 0.018 0.000 1.037 408 S CA -0.215 57.994 58.200 0.016 0.000 0.920 408 S CB -0.191 63.019 63.200 0.016 0.000 0.800 408 S HN 0.080 nan 8.310 nan 0.000 0.505 409 I N 1.898 122.480 120.570 0.020 0.000 2.233 409 I HA -0.076 4.094 4.170 -0.000 0.000 0.243 409 I C 2.888 179.017 176.117 0.020 0.000 1.093 409 I CA 1.558 62.871 61.300 0.021 0.000 1.380 409 I CB -0.279 37.736 38.000 0.024 0.000 1.067 409 I HN 0.392 nan 8.210 nan 0.000 0.413 410 E N 0.998 121.209 120.200 0.018 0.000 2.058 410 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 410 E C -0.719 175.895 176.600 0.024 0.000 0.997 410 E CA 1.615 58.025 56.400 0.018 0.000 0.801 410 E CB -0.573 29.135 29.700 0.014 0.000 0.746 410 E HN 0.332 nan 8.360 nan 0.000 0.450 411 P HA -0.097 nan 4.420 nan 0.000 0.221 411 P C 0.993 178.318 177.300 0.042 0.000 1.150 411 P CA 1.060 64.181 63.100 0.036 0.000 0.800 411 P CB 0.021 31.737 31.700 0.028 0.000 0.787 412 I N -0.836 119.754 120.570 0.034 0.000 2.202 412 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 412 I C 2.537 178.678 176.117 0.040 0.000 1.091 412 I CA 1.300 62.622 61.300 0.037 0.000 1.368 412 I CB -0.765 37.253 38.000 0.031 0.000 1.058 412 I HN -0.054 nan 8.210 nan 0.000 0.410 413 Q N 0.467 120.285 119.800 0.031 0.000 2.050 413 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 413 Q C 2.321 178.334 176.000 0.020 0.000 0.980 413 Q CA 2.191 58.008 55.803 0.024 0.000 0.840 413 Q CB -0.602 28.145 28.738 0.016 0.000 0.898 413 Q HN 0.511 nan 8.270 nan 0.000 0.424 414 T N 2.073 116.642 114.554 0.024 0.000 2.788 414 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 414 T C 1.922 176.647 174.700 0.042 0.000 1.044 414 T CA 1.075 63.183 62.100 0.014 0.000 1.139 414 T CB -0.274 68.613 68.868 0.031 0.000 0.867 414 T HN 0.152 nan 8.240 nan 0.000 0.454 415 L N 1.151 122.441 121.223 0.113 0.000 2.005 415 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 415 L C 2.242 179.182 176.870 0.118 0.000 1.072 415 L CA 1.820 56.778 54.840 0.197 0.000 0.744 415 L CB -0.431 41.704 42.059 0.127 0.000 0.895 415 L HN 0.000 nan 8.230 nan 0.000 0.433 416 K N -0.934 119.506 120.400 0.065 0.000 2.152 416 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 416 K C 1.873 178.487 176.600 0.024 0.000 1.048 416 K CA 1.933 58.248 56.287 0.047 0.000 0.933 416 K CB -0.281 32.245 32.500 0.043 0.000 0.721 416 K HN 0.713 nan 8.250 nan 0.000 0.447 417 T N -2.269 112.283 114.554 -0.003 0.000 2.988 417 T HA 0.014 4.364 4.350 -0.000 0.000 0.240 417 T C 2.104 176.762 174.700 -0.070 0.000 1.014 417 T CA 0.376 62.459 62.100 -0.028 0.000 1.155 417 T CB -0.453 68.397 68.868 -0.030 0.000 0.872 417 T HN -0.112 nan 8.240 nan 0.000 0.440 418 V N 1.695 121.516 119.914 -0.155 0.000 2.379 418 V HA -0.077 4.043 4.120 -0.000 0.000 0.245 418 V C 2.720 178.634 176.094 -0.301 0.000 1.044 418 V CA 1.582 63.705 62.300 -0.294 0.000 1.036 418 V CB -0.754 30.765 31.823 -0.507 0.000 0.664 418 V HN 0.588 nan 8.190 nan 0.000 0.453 419 H N -0.772 118.300 119.070 0.003 0.000 2.406 419 H HA 0.258 4.814 4.556 0.000 0.000 0.304 419 H C 2.176 177.505 175.328 0.001 0.000 1.042 419 H CA 0.874 56.923 56.048 0.002 0.000 1.360 419 H CB 0.038 29.801 29.762 0.001 0.000 1.448 419 H HN 0.284 nan 8.280 nan 0.000 0.553 420 L N 0.209 121.503 121.223 0.118 0.000 2.395 420 L HA 0.081 4.421 4.340 -0.000 0.000 0.218 420 L C 1.302 178.194 176.870 0.036 0.000 1.130 420 L CA 0.720 55.599 54.840 0.065 0.000 0.826 420 L CB -0.285 41.806 42.059 0.053 0.000 0.941 420 L HN 0.416 nan 8.230 nan 0.000 0.451 421 G N 0.445 109.257 108.800 0.022 0.000 2.198 421 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 421 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 421 G C 0.103 175.008 174.900 0.007 0.000 1.025 421 G CA 0.345 45.449 45.100 0.007 0.000 0.769 421 G HN 0.335 nan 8.290 nan 0.000 0.507 422 S N 0.086 115.794 115.700 0.012 0.000 2.457 422 S HA 0.530 5.000 4.470 -0.000 0.000 0.289 422 S C 1.212 175.818 174.600 0.010 0.000 1.163 422 S CA 0.152 58.361 58.200 0.016 0.000 1.078 422 S CB 1.602 64.819 63.200 0.028 0.000 0.987 422 S HN 1.083 nan 8.310 nan 0.000 0.482 423 S N 1.727 117.432 115.700 0.008 0.000 2.710 423 S HA 0.119 4.589 4.470 -0.000 0.000 0.224 423 S C -0.063 174.542 174.600 0.008 0.000 0.948 423 S CA -0.384 57.819 58.200 0.004 0.000 0.949 423 S CB -0.491 62.710 63.200 0.002 0.000 0.778 423 S HN 0.527 nan 8.310 nan 0.000 0.498 424 N N 3.214 121.924 118.700 0.016 0.000 2.699 424 N HA 0.385 5.125 4.740 -0.000 0.000 0.232 424 N C -2.472 173.049 175.510 0.019 0.000 1.027 424 N CA -1.741 51.320 53.050 0.018 0.000 0.920 424 N CB 1.440 39.947 38.487 0.034 0.000 1.148 424 N HN 0.193 nan 8.380 nan 0.000 0.509 425 P HA 0.082 nan 4.420 nan 0.000 0.249 425 P C -0.072 177.227 177.300 -0.002 0.000 1.229 425 P CA 0.074 63.178 63.100 0.007 0.000 0.788 425 P CB 0.430 32.131 31.700 0.002 0.000 1.072 426 R N 0.651 121.137 120.500 -0.023 0.000 2.679 426 R HA 0.189 4.529 4.340 -0.000 0.000 0.268 426 R C 0.262 176.517 176.300 -0.075 0.000 1.044 426 R CA 0.072 56.132 56.100 -0.068 0.000 1.105 426 R CB 0.225 30.450 30.300 -0.126 0.000 0.989 426 R HN 0.209 nan 8.270 nan 0.000 0.447 427 L N 3.345 124.516 121.223 -0.086 0.000 2.296 427 L HA 0.328 4.668 4.340 -0.000 0.000 0.286 427 L C 0.192 176.996 176.870 -0.110 0.000 1.023 427 L CA -0.735 54.081 54.840 -0.039 0.000 0.812 427 L CB 1.194 43.252 42.059 -0.003 0.000 1.223 427 L HN 0.532 nan 8.230 nan 0.000 0.421 428 H N 0.216 119.274 119.070 -0.021 0.000 2.509 428 H HA 0.145 4.701 4.556 -0.000 0.000 0.360 428 H C 1.147 176.438 175.328 -0.061 0.000 1.398 428 H CA -0.078 55.947 56.048 -0.039 0.000 1.429 428 H CB 0.697 30.434 29.762 -0.041 0.000 1.611 428 H HN 0.573 nan 8.280 nan 0.000 0.606 429 T N -0.293 114.280 114.554 0.031 0.000 2.833 429 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 429 T C 1.426 176.085 174.700 -0.068 0.000 1.054 429 T CA 1.391 63.442 62.100 -0.081 0.000 1.135 429 T CB -0.177 68.535 68.868 -0.260 0.000 0.869 429 T HN 0.752 nan 8.240 nan 0.000 0.466 430 D N 2.755 123.127 120.400 -0.047 0.000 2.097 430 D HA -0.206 4.434 4.640 -0.000 0.000 0.195 430 D C 1.966 178.256 176.300 -0.017 0.000 0.989 430 D CA 1.449 55.422 54.000 -0.043 0.000 0.827 430 D CB -0.504 40.267 40.800 -0.048 0.000 0.966 430 D HN 0.680 nan 8.370 nan 0.000 0.456 431 E N 0.836 121.041 120.200 0.009 0.000 2.285 431 E HA -0.037 4.313 4.350 -0.000 0.000 0.194 431 E C 2.352 178.959 176.600 0.012 0.000 0.997 431 E CA 0.329 56.739 56.400 0.016 0.000 0.845 431 E CB -0.216 29.506 29.700 0.036 0.000 0.782 431 E HN 0.166 nan 8.360 nan 0.000 0.491 432 V N 1.314 121.232 119.914 0.007 0.000 2.307 432 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 432 V C 2.243 178.335 176.094 -0.002 0.000 1.045 432 V CA 1.207 63.508 62.300 0.001 0.000 1.024 432 V CB -0.317 31.502 31.823 -0.006 0.000 0.651 432 V HN 0.181 nan 8.190 nan 0.000 0.449 433 L N -0.708 120.508 121.223 -0.012 0.000 2.201 433 L HA -0.083 4.257 4.340 -0.000 0.000 0.212 433 L C 2.039 178.906 176.870 -0.005 0.000 1.105 433 L CA 1.689 56.522 54.840 -0.012 0.000 0.775 433 L CB -0.631 41.413 42.059 -0.026 0.000 0.913 433 L HN 0.248 nan 8.230 nan 0.000 0.440 434 I N -1.144 119.423 120.570 -0.004 0.000 2.202 434 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 434 I C 2.509 178.629 176.117 0.005 0.000 1.091 434 I CA 1.184 62.484 61.300 -0.000 0.000 1.368 434 I CB -0.443 37.557 38.000 0.000 0.000 1.058 434 I HN 0.198 nan 8.210 nan 0.000 0.410 435 A N 0.278 123.103 122.820 0.008 0.000 1.972 435 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 435 A C 2.211 179.803 177.584 0.013 0.000 1.169 435 A CA 1.321 53.365 52.037 0.012 0.000 0.635 435 A CB -0.656 18.353 19.000 0.015 0.000 0.810 435 A HN 0.379 nan 8.150 nan 0.000 0.446 436 L N -0.891 120.338 121.223 0.011 0.000 2.156 436 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 436 L C 2.565 179.442 176.870 0.011 0.000 1.095 436 L CA 2.076 56.923 54.840 0.012 0.000 0.770 436 L CB -0.411 41.654 42.059 0.010 0.000 0.914 436 L HN 0.301 nan 8.230 nan 0.000 0.439 437 S N -1.739 113.966 115.700 0.008 0.000 2.395 437 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 437 S C 1.866 176.471 174.600 0.007 0.000 1.027 437 S CA 1.134 59.338 58.200 0.007 0.000 0.965 437 S CB -0.105 63.097 63.200 0.004 0.000 0.812 437 S HN 0.285 nan 8.310 nan 0.000 0.482 438 V N 1.333 121.252 119.914 0.008 0.000 2.427 438 V HA -0.071 4.049 4.120 -0.000 0.000 0.248 438 V C 2.355 178.455 176.094 0.010 0.000 1.051 438 V CA 1.874 64.179 62.300 0.008 0.000 1.048 438 V CB -0.789 31.039 31.823 0.009 0.000 0.666 438 V HN 0.418 nan 8.190 nan 0.000 0.456 439 S N 0.498 116.205 115.700 0.012 0.000 2.474 439 S HA -0.043 4.427 4.470 -0.000 0.000 0.235 439 S C 2.080 176.688 174.600 0.013 0.000 0.997 439 S CA 1.039 59.248 58.200 0.014 0.000 0.949 439 S CB -0.316 62.895 63.200 0.019 0.000 0.766 439 S HN 0.636 nan 8.310 nan 0.000 0.517 440 A N 1.185 124.012 122.820 0.012 0.000 2.172 440 A HA 0.304 4.624 4.320 -0.000 0.000 0.216 440 A C 2.160 179.750 177.584 0.009 0.000 1.154 440 A CA 1.195 53.238 52.037 0.011 0.000 0.701 440 A CB -0.619 18.386 19.000 0.010 0.000 0.789 440 A HN 0.487 nan 8.150 nan 0.000 0.465 441 A N 0.004 122.829 122.820 0.008 0.000 1.832 441 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 441 A C 2.447 180.035 177.584 0.007 0.000 1.204 441 A CA 2.315 54.356 52.037 0.007 0.000 0.606 441 A CB -1.265 17.738 19.000 0.006 0.000 0.849 441 A HN 0.676 nan 8.150 nan 0.000 0.445 442 T N -2.858 111.701 114.554 0.008 0.000 2.942 442 T HA 0.056 4.406 4.350 -0.000 0.000 0.265 442 T C 0.394 175.099 174.700 0.009 0.000 1.062 442 T CA 0.983 63.087 62.100 0.007 0.000 1.139 442 T CB -0.184 68.688 68.868 0.007 0.000 0.883 442 T HN 0.310 nan 8.240 nan 0.000 0.468 443 D N 0.183 120.590 120.400 0.011 0.000 2.278 443 D HA 0.466 5.106 4.640 -0.000 0.000 0.245 443 D C 0.564 176.872 176.300 0.012 0.000 1.052 443 D CA -0.502 53.506 54.000 0.012 0.000 0.834 443 D CB 2.119 42.929 40.800 0.017 0.000 1.194 443 D HN -0.012 nan 8.370 nan 0.000 0.481 444 S N 2.631 118.338 115.700 0.011 0.000 2.528 444 S HA 0.035 4.505 4.470 -0.000 0.000 0.219 444 S C 1.328 175.935 174.600 0.011 0.000 0.985 444 S CA 0.350 58.556 58.200 0.010 0.000 0.914 444 S CB -0.205 63.000 63.200 0.008 0.000 0.776 444 S HN 0.504 nan 8.310 nan 0.000 0.526 445 N N 0.919 119.627 118.700 0.013 0.000 2.216 445 N HA -0.023 4.717 4.740 -0.000 0.000 0.183 445 N C 1.896 177.415 175.510 0.016 0.000 1.017 445 N CA 0.938 53.997 53.050 0.015 0.000 0.861 445 N CB -0.143 38.355 38.487 0.019 0.000 0.986 445 N HN 0.451 nan 8.380 nan 0.000 0.428 446 A N 0.802 123.632 122.820 0.017 0.000 1.968 446 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 446 A C 2.122 179.714 177.584 0.014 0.000 1.169 446 A CA 1.103 53.150 52.037 0.017 0.000 0.638 446 A CB -0.351 18.660 19.000 0.018 0.000 0.812 446 A HN 0.169 nan 8.150 nan 0.000 0.446 447 Q N 0.438 120.246 119.800 0.013 0.000 2.079 447 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 447 Q C 1.859 177.867 176.000 0.012 0.000 0.974 447 Q CA 2.025 57.834 55.803 0.011 0.000 0.840 447 Q CB -0.297 28.447 28.738 0.010 0.000 0.898 447 Q HN 0.641 nan 8.270 nan 0.000 0.430 448 K N -0.560 119.846 120.400 0.012 0.000 2.209 448 K HA -0.049 4.271 4.320 -0.000 0.000 0.204 448 K C 1.898 178.507 176.600 0.014 0.000 1.048 448 K CA 0.928 57.222 56.287 0.011 0.000 0.940 448 K CB -0.107 32.398 32.500 0.009 0.000 0.729 448 K HN 0.274 nan 8.250 nan 0.000 0.451 449 A N 1.249 124.078 122.820 0.016 0.000 1.897 449 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 449 A C 2.033 179.630 177.584 0.021 0.000 1.181 449 A CA 0.866 52.915 52.037 0.020 0.000 0.620 449 A CB -0.452 18.560 19.000 0.020 0.000 0.821 449 A HN 0.140 nan 8.150 nan 0.000 0.443 450 L N -0.180 121.054 121.223 0.018 0.000 2.265 450 L HA -0.170 4.170 4.340 -0.000 0.000 0.215 450 L C 1.468 178.349 176.870 0.018 0.000 1.117 450 L CA 1.031 55.882 54.840 0.017 0.000 0.782 450 L CB -0.449 41.618 42.059 0.013 0.000 0.914 450 L HN 0.321 nan 8.230 nan 0.000 0.441 451 D N -0.546 119.865 120.400 0.018 0.000 2.269 451 D HA -0.151 4.489 4.640 -0.000 0.000 0.208 451 D C 1.696 178.009 176.300 0.022 0.000 0.963 451 D CA 0.923 54.934 54.000 0.018 0.000 0.864 451 D CB 0.103 40.913 40.800 0.015 0.000 0.936 451 D HN 0.335 nan 8.370 nan 0.000 0.505 452 Q N -0.228 119.588 119.800 0.026 0.000 2.204 452 Q HA 0.254 4.594 4.340 -0.000 0.000 0.209 452 Q C 1.682 177.705 176.000 0.038 0.000 0.861 452 Q CA -0.196 55.627 55.803 0.032 0.000 0.971 452 Q CB 0.428 29.186 28.738 0.035 0.000 1.095 452 Q HN 0.194 nan 8.270 nan 0.000 0.486 453 L N 0.024 121.268 121.223 0.036 0.000 2.156 453 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 453 L C 2.327 179.222 176.870 0.043 0.000 1.095 453 L CA 1.060 55.925 54.840 0.042 0.000 0.770 453 L CB -0.258 41.822 42.059 0.035 0.000 0.914 453 L HN 0.240 nan 8.230 nan 0.000 0.439 454 K N 0.655 121.077 120.400 0.036 0.000 2.089 454 K HA -0.220 4.100 4.320 -0.000 0.000 0.210 454 K C 1.008 177.630 176.600 0.037 0.000 1.048 454 K CA 1.774 58.082 56.287 0.034 0.000 0.926 454 K CB -0.056 32.461 32.500 0.029 0.000 0.714 454 K HN 0.307 nan 8.250 nan 0.000 0.448 455 N N 1.004 119.727 118.700 0.038 0.000 2.413 455 N HA 0.024 4.764 4.740 -0.000 0.000 0.207 455 N C 0.605 176.140 175.510 0.041 0.000 1.206 455 N CA 0.349 53.422 53.050 0.039 0.000 0.832 455 N CB 0.247 38.757 38.487 0.039 0.000 1.037 455 N HN 0.295 nan 8.380 nan 0.000 0.467 456 L N -0.403 120.847 121.223 0.046 0.000 2.664 456 L HA 0.214 4.554 4.340 -0.000 0.000 0.233 456 L C 0.479 177.376 176.870 0.044 0.000 1.113 456 L CA -0.099 54.770 54.840 0.049 0.000 0.896 456 L CB 0.326 42.427 42.059 0.070 0.000 1.163 456 L HN -0.063 nan 8.230 nan 0.000 0.497 457 R N 0.949 121.475 120.500 0.043 0.000 2.449 457 R HA 0.275 4.615 4.340 -0.000 0.000 0.296 457 R C 1.055 177.374 176.300 0.031 0.000 1.047 457 R CA 0.783 56.907 56.100 0.040 0.000 1.018 457 R CB 0.246 30.570 30.300 0.041 0.000 0.962 457 R HN 0.281 nan 8.270 nan 0.000 0.428 458 G N 1.687 110.501 108.800 0.025 0.000 2.213 458 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.236 458 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.236 458 G C 0.241 175.143 174.900 0.004 0.000 0.991 458 G CA -0.283 44.827 45.100 0.017 0.000 0.629 458 G HN 0.631 nan 8.290 nan 0.000 0.517 459 C N 2.088 121.387 119.300 -0.002 0.000 2.536 459 C HA 0.581 5.041 4.460 -0.000 0.000 0.396 459 C C 0.262 175.222 174.990 -0.051 0.000 1.279 459 C CA -0.779 58.227 59.018 -0.019 0.000 2.148 459 C CB 0.811 28.541 27.740 -0.017 0.000 2.584 459 C HN 0.449 nan 8.230 nan 0.000 0.579 460 D N 1.487 121.854 120.400 -0.056 0.000 2.198 460 D HA 0.476 5.116 4.640 -0.000 0.000 0.245 460 D C -0.622 175.609 176.300 -0.115 0.000 1.079 460 D CA 0.098 54.052 54.000 -0.077 0.000 0.854 460 D CB 1.823 42.594 40.800 -0.048 0.000 1.148 460 D HN 0.215 nan 8.370 nan 0.000 0.456 461 V N 2.378 122.188 119.914 -0.174 0.000 2.604 461 V HA 0.233 4.353 4.120 -0.000 0.000 0.305 461 V C -0.635 175.355 176.094 -0.174 0.000 1.043 461 V CA -0.681 61.482 62.300 -0.228 0.000 0.888 461 V CB 2.104 33.648 31.823 -0.464 0.000 0.995 461 V HN 0.535 nan 8.190 nan 0.000 0.429 462 H N 2.080 121.004 119.070 -0.243 0.000 2.524 462 H HA 0.752 5.308 4.556 -0.000 0.000 0.353 462 H C -0.168 175.027 175.328 -0.221 0.000 1.136 462 H CA -0.065 55.817 56.048 -0.276 0.000 1.193 462 H CB 1.832 31.413 29.762 -0.301 0.000 1.558 462 H HN 0.796 nan 8.280 nan 0.000 0.515 463 T N 0.514 114.639 114.554 -0.716 0.000 2.908 463 T HA 0.212 4.562 4.350 -0.000 0.000 0.290 463 T C 1.040 175.439 174.700 -0.502 0.000 1.034 463 T CA -0.215 61.628 62.100 -0.428 0.000 1.010 463 T CB 1.419 70.132 68.868 -0.259 0.000 1.068 463 T HN 0.677 nan 8.240 nan 0.000 0.481 464 T N -1.507 112.926 114.554 -0.202 0.000 3.081 464 T HA 0.197 4.547 4.350 -0.000 0.000 0.255 464 T C 0.814 175.445 174.700 -0.115 0.000 1.113 464 T CA 0.446 62.482 62.100 -0.106 0.000 1.082 464 T CB -0.122 68.734 68.868 -0.020 0.000 0.939 464 T HN 0.777 nan 8.240 nan 0.000 0.506 465 T N 0.768 115.241 114.554 -0.134 0.000 2.908 465 T HA 0.622 4.972 4.350 -0.000 0.000 0.290 465 T C -0.549 174.059 174.700 -0.152 0.000 1.034 465 T CA -1.045 60.986 62.100 -0.115 0.000 1.010 465 T CB 0.874 69.719 68.868 -0.038 0.000 1.068 465 T HN 0.270 nan 8.240 nan 0.000 0.481 466 I N 4.668 125.120 120.570 -0.197 0.000 2.517 466 I HA 0.163 4.333 4.170 -0.000 0.000 0.285 466 I C 0.549 176.649 176.117 -0.027 0.000 1.106 466 I CA -0.156 61.037 61.300 -0.178 0.000 1.402 466 I CB 0.347 38.131 38.000 -0.361 0.000 1.399 466 I HN 0.454 nan 8.210 nan 0.000 0.535 467 L N 5.737 126.958 121.223 -0.004 0.000 2.464 467 L HA 0.300 4.640 4.340 -0.000 0.000 0.264 467 L C 1.215 178.137 176.870 0.086 0.000 1.199 467 L CA -0.189 54.689 54.840 0.063 0.000 0.818 467 L CB 0.213 42.330 42.059 0.097 0.000 1.102 467 L HN 0.684 nan 8.230 nan 0.000 0.473 468 G N -0.322 108.536 108.800 0.097 0.000 2.588 468 G HA2 0.224 4.184 3.960 -0.000 0.000 0.281 468 G HA3 0.224 4.184 3.960 -0.000 0.000 0.281 468 G C 0.931 175.856 174.900 0.042 0.000 1.236 468 G CA 0.157 45.300 45.100 0.073 0.000 0.969 468 G HN 0.761 nan 8.290 nan 0.000 0.504 469 S N -1.250 114.459 115.700 0.015 0.000 2.383 469 S HA -0.157 4.313 4.470 -0.000 0.000 0.227 469 S C 2.252 176.842 174.600 -0.018 0.000 1.026 469 S CA 1.533 59.735 58.200 0.003 0.000 0.981 469 S CB -0.493 62.703 63.200 -0.007 0.000 0.818 469 S HN 0.308 nan 8.310 nan 0.000 0.472 470 V N 2.760 122.643 119.914 -0.052 0.000 2.307 470 V HA -0.135 3.985 4.120 -0.000 0.000 0.245 470 V C 2.436 178.481 176.094 -0.082 0.000 1.045 470 V CA 2.086 64.338 62.300 -0.081 0.000 1.024 470 V CB -0.954 30.782 31.823 -0.145 0.000 0.651 470 V HN 0.378 nan 8.190 nan 0.000 0.449 471 D N -0.280 120.083 120.400 -0.061 0.000 2.144 471 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 471 D C 2.195 178.431 176.300 -0.107 0.000 0.978 471 D CA 1.238 55.161 54.000 -0.129 0.000 0.833 471 D CB -0.064 40.726 40.800 -0.017 0.000 0.961 471 D HN 0.570 nan 8.370 nan 0.000 0.470 472 E N 0.026 120.249 120.200 0.039 0.000 2.152 472 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 472 E C 2.103 178.747 176.600 0.073 0.000 0.983 472 E CA 0.820 57.292 56.400 0.120 0.000 0.818 472 E CB -0.080 29.676 29.700 0.094 0.000 0.758 472 E HN 0.237 nan 8.360 nan 0.000 0.467 473 G N 0.841 109.647 108.800 0.011 0.000 2.422 473 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 473 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 473 G C 1.453 176.341 174.900 -0.020 0.000 1.146 473 G CA 0.642 45.742 45.100 -0.001 0.000 0.769 473 G HN 0.168 nan 8.290 nan 0.000 0.547 474 I N -0.173 120.340 120.570 -0.094 0.000 2.353 474 I HA 0.066 4.236 4.170 -0.000 0.000 0.248 474 I C 2.148 178.203 176.117 -0.104 0.000 1.119 474 I CA 0.540 61.748 61.300 -0.153 0.000 1.417 474 I CB -0.254 37.583 38.000 -0.272 0.000 1.078 474 I HN 0.063 nan 8.210 nan 0.000 0.421 475 F N 0.058 120.010 119.950 0.004 0.000 2.325 475 F HA -0.019 4.508 4.527 0.000 0.000 0.299 475 F C 2.581 178.383 175.800 0.004 0.000 1.090 475 F CA 0.912 58.913 58.000 0.001 0.000 1.392 475 F CB -0.700 38.296 39.000 -0.006 0.000 1.053 475 F HN -0.036 nan 8.300 nan 0.000 0.521 476 R N 0.401 121.008 120.500 0.178 0.000 2.075 476 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 476 R C 1.913 178.261 176.300 0.080 0.000 1.126 476 R CA 1.286 57.450 56.100 0.107 0.000 0.963 476 R CB -0.227 30.118 30.300 0.074 0.000 0.858 476 R HN 0.161 nan 8.270 nan 0.000 0.435 477 N N 0.713 119.450 118.700 0.061 0.000 2.289 477 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 477 N C 1.534 177.075 175.510 0.051 0.000 1.016 477 N CA 0.934 54.009 53.050 0.042 0.000 0.872 477 N CB 0.008 38.506 38.487 0.018 0.000 0.973 477 N HN 0.278 nan 8.380 nan 0.000 0.433 478 L N -0.602 120.668 121.223 0.078 0.000 2.558 478 L HA 0.180 4.520 4.340 -0.000 0.000 0.225 478 L C 0.996 177.918 176.870 0.086 0.000 1.128 478 L CA 0.109 55.001 54.840 0.087 0.000 0.868 478 L CB -0.106 42.028 42.059 0.126 0.000 1.006 478 L HN 0.145 nan 8.230 nan 0.000 0.454 479 G N 0.612 109.462 108.800 0.084 0.000 2.182 479 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.248 479 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.248 479 G C -0.012 174.922 174.900 0.057 0.000 1.042 479 G CA 0.040 45.179 45.100 0.065 0.000 0.775 479 G HN 0.100 nan 8.290 nan 0.000 0.501 480 V N 1.115 121.074 119.914 0.075 0.000 2.439 480 V HA 0.517 4.637 4.120 -0.000 0.000 0.282 480 V C 0.909 176.986 176.094 -0.028 0.000 1.039 480 V CA -0.617 61.693 62.300 0.017 0.000 0.913 480 V CB 1.600 33.435 31.823 0.020 0.000 0.983 480 V HN 0.328 nan 8.190 nan 0.000 0.460 481 L N 6.165 127.353 121.223 -0.058 0.000 2.282 481 L HA 0.424 4.764 4.340 -0.000 0.000 0.287 481 L C -0.360 176.442 176.870 -0.113 0.000 1.075 481 L CA -0.275 54.532 54.840 -0.056 0.000 0.839 481 L CB 0.766 42.805 42.059 -0.033 0.000 1.219 481 L HN 0.367 nan 8.230 nan 0.000 0.434 482 V N 1.795 121.635 119.914 -0.123 0.000 2.427 482 V HA 0.546 4.666 4.120 -0.000 0.000 0.286 482 V C 0.516 176.533 176.094 -0.128 0.000 1.034 482 V CA -0.506 61.681 62.300 -0.188 0.000 0.893 482 V CB 1.610 33.304 31.823 -0.216 0.000 0.982 482 V HN 0.824 nan 8.190 nan 0.000 0.452 483 T N 1.048 115.498 114.554 -0.173 0.000 2.932 483 T HA 0.804 5.154 4.350 -0.000 0.000 0.289 483 T C -0.377 174.042 174.700 -0.469 0.000 1.039 483 T CA -0.737 61.247 62.100 -0.193 0.000 1.024 483 T CB 1.868 70.643 68.868 -0.155 0.000 1.090 483 T HN 0.563 nan 8.240 nan 0.000 0.496 484 S N 0.733 116.164 115.700 -0.448 0.000 2.546 484 S HA 0.494 4.964 4.470 -0.000 0.000 0.274 484 S C -1.387 173.042 174.600 -0.286 0.000 1.121 484 S CA -0.977 56.884 58.200 -0.565 0.000 0.887 484 S CB 1.543 64.552 63.200 -0.318 0.000 1.094 484 S HN 0.776 nan 8.310 nan 0.000 0.474 485 D N 3.514 123.762 120.400 -0.254 0.000 2.389 485 D HA 0.222 4.862 4.640 -0.000 0.000 0.247 485 D C -2.098 174.155 176.300 -0.078 0.000 1.128 485 D CA -1.293 52.726 54.000 0.033 0.000 0.884 485 D CB 0.632 41.477 40.800 0.075 0.000 1.194 485 D HN 0.154 nan 8.370 nan 0.000 0.441 486 P HA 0.123 nan 4.420 nan 0.000 0.241 486 P C -0.738 176.433 177.300 -0.215 0.000 1.760 486 P CA 0.043 63.044 63.100 -0.165 0.000 1.081 486 P CB -0.050 31.585 31.700 -0.108 0.000 1.975 487 K N 1.395 121.610 120.400 -0.308 0.000 2.502 487 K HA 0.532 4.852 4.320 -0.000 0.000 0.257 487 K C -0.605 175.764 176.600 -0.385 0.000 0.938 487 K CA -0.651 55.487 56.287 -0.249 0.000 0.819 487 K CB 1.750 34.199 32.500 -0.086 0.000 1.333 487 K HN -0.012 nan 8.250 nan 0.000 0.434 488 F N 1.131 121.084 119.950 0.004 0.000 2.457 488 F HA 0.341 4.868 4.527 -0.000 0.000 0.330 488 F C 1.172 176.975 175.800 0.005 0.000 1.069 488 F CA -0.637 57.366 58.000 0.004 0.000 1.009 488 F CB 1.031 40.034 39.000 0.006 0.000 1.276 488 F HN 0.335 nan 8.300 nan 0.000 0.492 489 Q N 0.000 119.932 119.800 0.220 0.000 2.315 489 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 489 Q CA 0.000 55.871 55.803 0.114 0.000 1.022 489 Q CB 0.000 28.793 28.738 0.091 0.000 1.108 489 Q HN 0.000 nan 8.270 nan 0.000 0.481