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 1nql_1_A DATA FIRST_RESID 3 DATA SEQUENCE EKKVcQGTSN KLTQLGTFED HFLSLQRMFN NcEVVLGNLE ITYVQRNYDL DATA SEQUENCE SFLKTIQEVA GYVLIALNTV ERIPLENLQI IRGNMYYENS YALAVLSNYD DATA SEQUENCE ANKTGLKELP MRNLQEILHG AVRFSNNPAL cNVESIQWRD IVSSDFLSNM DATA SEQUENCE SMDFQNHLGS cQKcDPScPN GScWGAGEEN cQKLTKIIcA QQcSGRcRGK DATA SEQUENCE SPSDccHNQc AAGcTGPRES DcLVcRKFRD EATcKDTcPP LMLYNPTTYQ DATA SEQUENCE MDVNPEGKYS FGATcVKKcP RNYVVTDHGS cVRAcGADSY EMEEDGVRKc DATA SEQUENCE KKcEGPcRKV cNGIGIGEFK DSLSINATNI KHFKNcTSIS GDLHILPVAF DATA SEQUENCE RGDSFTHTPP LDPQELDILK TVKEITGFLL IQAWPENRTD LHAFENLEII DATA SEQUENCE RGRTKQHGQF SLAVVSLNIT SLGLRSLKEI SDGDVIISGN KNLcYANTIN DATA SEQUENCE WKKLFGTSGQ KTKIISNRGE NScKATGQVc HALcSPEGcW GPEPRDcVSc DATA SEQUENCE RNVSRGREcV DKcKLLEGEP REFVENSEcI QcHPEcLPQA MNITcTGRGP DATA SEQUENCE DNcIQcAHYI DGPHcVKTcP AGVMGENNTL VWKYADAGHV cHLcHPNcTY DATA SEQUENCE GcTGPGLEGc PT 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 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.607 176.600 0.012 0.000 1.382 3 E CA 0.000 56.403 56.400 0.005 0.000 0.976 3 E CB 0.000 29.701 29.700 0.001 0.000 0.812 4 K N -1.590 118.819 120.400 0.015 0.000 8.941 4 K HA 0.258 4.577 4.320 -0.002 0.000 1.007 4 K C -0.687 175.927 176.600 0.024 0.000 1.018 4 K CA -0.510 55.791 56.287 0.024 0.000 0.900 4 K CB -1.075 31.439 32.500 0.023 0.000 1.665 4 K HN 1.682 nan 8.250 nan 0.000 0.780 5 K N 0.819 121.235 120.400 0.027 0.000 3.476 5 K HA -0.148 4.171 4.320 -0.002 0.000 0.453 5 K C -1.315 175.301 176.600 0.026 0.000 1.425 5 K CA 0.946 57.250 56.287 0.029 0.000 1.099 5 K CB -0.269 32.245 32.500 0.024 0.000 1.515 5 K HN 0.498 nan 8.250 nan 0.000 0.346 6 V N 5.988 125.922 119.914 0.033 0.000 2.495 6 V HA 0.522 4.640 4.120 -0.002 0.000 0.298 6 V C 0.147 176.252 176.094 0.019 0.000 1.031 6 V CA -0.283 62.027 62.300 0.018 0.000 0.871 6 V CB 1.076 32.921 31.823 0.037 0.000 0.988 6 V HN 1.094 nan 8.190 nan 0.000 0.432 7 c N 2.671 121.269 118.600 -0.002 0.000 2.595 7 c HA 0.652 5.221 4.570 -0.002 0.000 0.338 7 c C 1.195 175.259 174.090 -0.044 0.000 1.219 7 c CA -0.589 55.716 56.329 -0.040 0.000 1.811 7 c CB 1.630 44.081 42.510 -0.099 0.000 2.313 7 c HN 0.855 nan 8.230 nan 0.000 0.499 8 Q N 0.913 120.673 119.800 -0.067 0.000 2.172 8 Q HA 0.396 4.735 4.340 -0.002 0.000 0.200 8 Q C 1.156 177.124 176.000 -0.055 0.000 0.964 8 Q CA 1.934 57.720 55.803 -0.028 0.000 0.855 8 Q CB -0.165 28.567 28.738 -0.011 0.000 0.918 8 Q HN 1.567 nan 8.270 nan 0.000 0.444 9 G N -0.898 107.828 108.800 -0.125 0.000 2.707 9 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.686 9 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.686 9 G C -0.588 174.270 174.900 -0.070 0.000 1.315 9 G CA -0.338 44.736 45.100 -0.044 0.000 0.832 9 G HN 0.206 nan 8.290 nan 0.000 0.573 10 T N -1.531 113.039 114.554 0.026 0.000 2.908 10 T HA 0.739 5.088 4.350 -0.002 0.000 0.290 10 T C 0.307 175.025 174.700 0.030 0.000 1.034 10 T CA 0.442 62.559 62.100 0.027 0.000 1.010 10 T CB 1.609 70.535 68.868 0.097 0.000 1.068 10 T HN 1.331 nan 8.240 nan 0.000 0.481 11 S N 3.131 118.867 115.700 0.059 0.000 2.327 11 S HA 0.234 4.703 4.470 -0.002 0.000 0.203 11 S C 0.767 175.452 174.600 0.142 0.000 1.326 11 S CA -0.775 57.492 58.200 0.113 0.000 1.248 11 S CB -0.169 63.090 63.200 0.099 0.000 1.199 11 S HN 0.752 nan 8.310 nan 0.000 0.422 12 N N 1.871 120.667 118.700 0.160 0.000 2.398 12 N HA 0.048 4.787 4.740 -0.002 0.000 0.188 12 N C 0.731 176.367 175.510 0.211 0.000 1.122 12 N CA -0.029 53.126 53.050 0.175 0.000 0.866 12 N CB 0.219 38.825 38.487 0.199 0.000 0.970 12 N HN 0.443 nan 8.380 nan 0.000 0.462 13 K N 0.686 121.238 120.400 0.254 0.000 1.858 13 K HA -0.244 4.074 4.320 -0.002 0.000 0.111 13 K C 1.044 177.786 176.600 0.237 0.000 1.078 13 K CA 1.827 58.291 56.287 0.296 0.000 0.417 13 K CB -0.913 31.783 32.500 0.327 0.000 0.587 13 K HN 0.072 nan 8.250 nan 0.000 0.950 14 L N 1.184 122.541 121.223 0.225 0.000 2.592 14 L HA 0.080 4.418 4.340 -0.002 0.000 0.227 14 L C 0.669 177.729 176.870 0.316 0.000 1.127 14 L CA -0.163 54.811 54.840 0.224 0.000 0.884 14 L CB -0.047 42.112 42.059 0.167 0.000 1.065 14 L HN 0.351 nan 8.230 nan 0.000 0.457 15 T N 1.145 115.841 114.554 0.237 0.000 2.932 15 T HA 0.025 4.373 4.350 -0.002 0.000 0.312 15 T C 0.063 174.859 174.700 0.160 0.000 1.071 15 T CA 0.268 62.467 62.100 0.164 0.000 1.128 15 T CB 0.827 69.768 68.868 0.121 0.000 0.984 15 T HN 0.267 nan 8.240 nan 0.000 0.549 16 Q N 2.883 122.650 119.800 -0.056 0.000 2.337 16 Q HA 0.506 4.844 4.340 -0.002 0.000 0.266 16 Q C -1.433 174.481 176.000 -0.143 0.000 1.023 16 Q CA -0.835 54.764 55.803 -0.339 0.000 0.829 16 Q CB 0.846 29.056 28.738 -0.880 0.000 1.306 16 Q HN 0.586 nan 8.270 nan 0.000 0.449 17 L N 4.664 125.925 121.223 0.063 0.000 2.287 17 L HA 0.577 4.915 4.340 -0.002 0.000 0.280 17 L C 0.818 177.723 176.870 0.058 0.000 1.055 17 L CA -0.137 54.787 54.840 0.139 0.000 0.863 17 L CB 0.204 42.421 42.059 0.262 0.000 1.245 17 L HN 1.077 nan 8.230 nan 0.000 0.432 18 G N 2.758 111.537 108.800 -0.034 0.000 2.575 18 G HA2 -0.298 3.660 3.960 -0.002 0.000 0.267 18 G HA3 -0.298 3.660 3.960 -0.002 0.000 0.267 18 G C 0.162 174.983 174.900 -0.131 0.000 1.264 18 G CA -0.036 45.029 45.100 -0.058 0.000 0.935 18 G HN 0.755 nan 8.290 nan 0.000 0.568 19 T N -2.005 112.488 114.554 -0.103 0.000 2.754 19 T HA 0.542 4.890 4.350 -0.002 0.000 0.286 19 T C 1.417 176.077 174.700 -0.066 0.000 0.997 19 T CA 0.673 62.657 62.100 -0.192 0.000 0.982 19 T CB 0.568 69.377 68.868 -0.098 0.000 1.027 19 T HN 0.548 nan 8.240 nan 0.000 0.529 20 F N -0.153 119.797 119.950 0.000 0.000 2.171 20 F HA -0.036 4.489 4.527 -0.003 0.000 0.300 20 F C 2.911 178.778 175.800 0.112 0.000 1.090 20 F CA 1.314 59.321 58.000 0.013 0.000 1.293 20 F CB -0.172 38.801 39.000 -0.044 0.000 1.013 20 F HN 0.752 nan 8.300 nan 0.000 0.486 21 E N 0.747 121.148 120.200 0.335 0.000 2.017 21 E HA -0.240 4.108 4.350 -0.002 0.000 0.193 21 E C 1.824 178.618 176.600 0.323 0.000 0.997 21 E CA 1.654 58.281 56.400 0.378 0.000 0.804 21 E CB -0.117 29.768 29.700 0.309 0.000 0.757 21 E HN 0.290 nan 8.360 nan 0.000 0.448 22 D N -0.407 120.118 120.400 0.209 0.000 2.157 22 D HA -0.236 4.403 4.640 -0.002 0.000 0.191 22 D C 1.920 178.338 176.300 0.197 0.000 1.004 22 D CA 1.691 55.785 54.000 0.157 0.000 0.854 22 D CB -0.628 40.227 40.800 0.092 0.000 0.936 22 D HN 0.328 nan 8.370 nan 0.000 0.446 23 H N -0.672 118.481 119.070 0.138 0.000 2.353 23 H HA -0.106 4.449 4.556 -0.002 0.000 0.300 23 H C 1.867 177.324 175.328 0.214 0.000 1.090 23 H CA 1.317 57.460 56.048 0.158 0.000 1.327 23 H CB -0.468 29.407 29.762 0.188 0.000 1.383 23 H HN 0.067 nan 8.280 nan 0.000 0.508 24 F N 0.686 120.738 119.950 0.171 0.000 2.102 24 F HA -0.167 4.358 4.527 -0.003 0.000 0.298 24 F C 2.000 177.870 175.800 0.118 0.000 1.105 24 F CA 1.319 59.402 58.000 0.139 0.000 1.239 24 F CB -0.540 38.580 39.000 0.200 0.000 0.991 24 F HN 0.158 nan 8.300 nan 0.000 0.474 25 L N -0.479 120.768 121.223 0.040 0.000 2.187 25 L HA -0.236 4.103 4.340 -0.002 0.000 0.213 25 L C 2.364 179.127 176.870 -0.178 0.000 1.100 25 L CA 1.432 56.213 54.840 -0.099 0.000 0.765 25 L CB -0.953 41.131 42.059 0.041 0.000 0.904 25 L HN 0.178 nan 8.230 nan 0.000 0.437 26 S N 0.186 115.810 115.700 -0.126 0.000 2.362 26 S HA -0.142 4.326 4.470 -0.002 0.000 0.221 26 S C 1.848 176.328 174.600 -0.199 0.000 1.032 26 S CA 0.702 58.816 58.200 -0.143 0.000 0.973 26 S CB -0.496 62.648 63.200 -0.093 0.000 0.849 26 S HN 0.241 nan 8.310 nan 0.000 0.465 27 L N 1.921 123.029 121.223 -0.191 0.000 2.013 27 L HA -0.174 4.165 4.340 -0.002 0.000 0.212 27 L C 2.513 179.259 176.870 -0.207 0.000 1.073 27 L CA 1.898 56.713 54.840 -0.042 0.000 0.753 27 L CB -0.836 41.245 42.059 0.035 0.000 0.890 27 L HN 0.313 nan 8.230 nan 0.000 0.432 28 Q N -0.609 118.851 119.800 -0.565 0.000 1.975 28 Q HA -0.256 4.083 4.340 -0.002 0.000 0.205 28 Q C 2.343 177.977 176.000 -0.611 0.000 0.990 28 Q CA 2.240 57.463 55.803 -0.967 0.000 0.845 28 Q CB -0.142 28.060 28.738 -0.894 0.000 0.913 28 Q HN 0.502 nan 8.270 nan 0.000 0.420 29 R N -0.434 119.831 120.500 -0.391 0.000 2.241 29 R HA -0.142 4.196 4.340 -0.002 0.000 0.224 29 R C 2.057 178.182 176.300 -0.292 0.000 1.101 29 R CA 1.127 57.058 56.100 -0.282 0.000 0.995 29 R CB -0.160 30.022 30.300 -0.196 0.000 0.870 29 R HN 0.312 nan 8.270 nan 0.000 0.463 30 M N -0.544 118.838 119.600 -0.364 0.000 2.216 30 M HA 0.034 4.512 4.480 -0.002 0.000 0.264 30 M C 1.041 176.982 176.300 -0.599 0.000 1.080 30 M CA 1.686 56.666 55.300 -0.532 0.000 1.153 30 M CB 0.055 32.218 32.600 -0.727 0.000 1.356 30 M HN -0.013 nan 8.290 nan 0.000 0.432 31 F N -0.222 119.616 119.950 -0.188 0.000 2.754 31 F HA 0.242 4.768 4.527 -0.002 0.000 0.297 31 F C 0.614 176.356 175.800 -0.097 0.000 1.122 31 F CA -0.469 57.477 58.000 -0.091 0.000 1.400 31 F CB -0.666 38.368 39.000 0.056 0.000 1.117 31 F HN 0.121 nan 8.300 nan 0.000 0.587 32 N N 2.518 121.129 118.700 -0.148 0.000 2.142 32 N HA -0.213 4.526 4.740 -0.002 0.000 0.282 32 N C 0.141 175.649 175.510 -0.003 0.000 1.342 32 N CA 0.673 53.649 53.050 -0.123 0.000 0.831 32 N CB -0.413 37.954 38.487 -0.199 0.000 1.083 32 N HN 0.233 nan 8.380 nan 0.000 0.492 33 N N 0.390 119.129 118.700 0.065 0.000 2.725 33 N HA -0.239 4.499 4.740 -0.002 0.000 0.249 33 N C -0.413 175.133 175.510 0.060 0.000 1.103 33 N CA 0.835 53.920 53.050 0.059 0.000 0.707 33 N CB -1.902 36.600 38.487 0.026 0.000 1.043 33 N HN 0.537 nan 8.380 nan 0.000 0.553 34 c N -0.161 118.498 118.600 0.097 0.000 2.358 34 c HA 0.407 4.975 4.570 -0.002 0.000 0.342 34 c C 1.638 175.783 174.090 0.091 0.000 1.234 34 c CA -0.320 56.066 56.329 0.094 0.000 1.969 34 c CB 1.062 43.652 42.510 0.133 0.000 2.346 34 c HN 0.419 nan 8.230 nan 0.000 0.525 35 E N 1.910 122.145 120.200 0.057 0.000 2.332 35 E HA 0.199 4.547 4.350 -0.002 0.000 0.202 35 E C -0.474 176.141 176.600 0.024 0.000 0.877 35 E CA 0.454 56.876 56.400 0.035 0.000 0.979 35 E CB 0.945 30.657 29.700 0.021 0.000 0.969 35 E HN 0.578 nan 8.360 nan 0.000 0.495 36 V N 2.245 122.171 119.914 0.020 0.000 2.407 36 V HA 0.234 4.353 4.120 -0.002 0.000 0.291 36 V C -0.492 175.606 176.094 0.007 0.000 1.018 36 V CA -0.758 61.539 62.300 -0.004 0.000 0.842 36 V CB 1.813 33.613 31.823 -0.037 0.000 0.996 36 V HN -0.100 nan 8.190 nan 0.000 0.426 37 V N 6.439 126.368 119.914 0.024 0.000 2.353 37 V HA 0.220 4.339 4.120 -0.002 0.000 0.264 37 V C 1.317 177.400 176.094 -0.019 0.000 1.049 37 V CA -0.135 62.195 62.300 0.049 0.000 0.896 37 V CB 1.196 33.097 31.823 0.130 0.000 1.025 37 V HN 0.772 nan 8.190 nan 0.000 0.475 38 L N 3.351 124.543 121.223 -0.052 0.000 2.191 38 L HA -0.040 4.299 4.340 -0.002 0.000 0.212 38 L C 1.659 178.500 176.870 -0.049 0.000 1.103 38 L CA 1.846 56.635 54.840 -0.086 0.000 0.769 38 L CB -0.220 41.783 42.059 -0.093 0.000 0.908 38 L HN 0.834 nan 8.230 nan 0.000 0.438 39 G N -1.194 107.587 108.800 -0.032 0.000 3.414 39 G HA2 0.226 4.184 3.960 -0.002 0.000 0.189 39 G HA3 0.226 4.184 3.960 -0.002 0.000 0.189 39 G C -0.367 174.479 174.900 -0.089 0.000 1.329 39 G CA -0.470 44.603 45.100 -0.045 0.000 0.851 39 G HN 0.108 nan 8.290 nan 0.000 0.671 40 N N -0.499 118.115 118.700 -0.143 0.000 2.402 40 N HA 0.495 5.233 4.740 -0.002 0.000 0.294 40 N C -1.638 173.822 175.510 -0.084 0.000 1.203 40 N CA -0.503 52.369 53.050 -0.295 0.000 0.838 40 N CB 2.653 40.605 38.487 -0.892 0.000 1.306 40 N HN 0.334 nan 8.380 nan 0.000 0.510 41 L N 0.308 121.442 121.223 -0.148 0.000 2.316 41 L HA 0.389 4.727 4.340 -0.002 0.000 0.280 41 L C -0.871 175.925 176.870 -0.125 0.000 1.006 41 L CA -0.202 54.564 54.840 -0.124 0.000 0.836 41 L CB 0.647 42.538 42.059 -0.280 0.000 1.221 41 L HN 0.463 nan 8.230 nan 0.000 0.418 42 E N 6.448 126.633 120.200 -0.024 0.000 2.145 42 E HA 0.419 4.767 4.350 -0.002 0.000 0.262 42 E C -1.046 175.560 176.600 0.010 0.000 0.883 42 E CA -0.318 56.091 56.400 0.016 0.000 0.748 42 E CB 2.017 31.780 29.700 0.106 0.000 1.140 42 E HN 0.529 nan 8.360 nan 0.000 0.417 43 I N 3.342 123.888 120.570 -0.041 0.000 2.371 43 I HA 0.222 4.390 4.170 -0.002 0.000 0.282 43 I C -0.253 175.858 176.117 -0.010 0.000 1.031 43 I CA -0.112 61.176 61.300 -0.020 0.000 1.180 43 I CB 1.147 39.100 38.000 -0.078 0.000 1.336 43 I HN 0.479 nan 8.210 nan 0.000 0.467 44 T N 0.309 114.914 114.554 0.084 0.000 2.883 44 T HA 0.497 4.846 4.350 -0.002 0.000 0.301 44 T C 0.155 174.943 174.700 0.148 0.000 1.158 44 T CA -0.542 61.537 62.100 -0.034 0.000 1.007 44 T CB 1.093 69.865 68.868 -0.160 0.000 1.186 44 T HN 0.566 nan 8.240 nan 0.000 0.499 45 Y N -1.671 118.643 120.300 0.023 0.000 4.899 45 Y HA -0.259 4.290 4.550 -0.002 0.000 0.241 45 Y C 0.834 176.617 175.900 -0.195 0.000 0.976 45 Y CA 0.530 58.578 58.100 -0.086 0.000 1.952 45 Y CB -2.351 36.110 38.460 0.001 0.000 1.496 45 Y HN 0.638 nan 8.280 nan 0.000 0.545 46 V N 3.126 123.044 119.914 0.007 0.000 2.599 46 V HA -0.048 4.070 4.120 -0.002 0.000 0.300 46 V C 0.738 176.651 176.094 -0.301 0.000 1.034 46 V CA -0.057 62.157 62.300 -0.143 0.000 1.115 46 V CB 0.847 32.668 31.823 -0.003 0.000 0.934 46 V HN 0.129 nan 8.190 nan 0.000 0.485 47 Q N 3.416 122.912 119.800 -0.506 0.000 2.185 47 Q HA 0.442 4.781 4.340 -0.002 0.000 0.225 47 Q C 0.079 176.036 176.000 -0.071 0.000 0.983 47 Q CA -0.872 54.740 55.803 -0.319 0.000 0.950 47 Q CB 0.735 29.283 28.738 -0.316 0.000 1.176 47 Q HN 0.582 nan 8.270 nan 0.000 0.510 48 R N 1.657 122.152 120.500 -0.007 0.000 2.638 48 R HA -0.025 4.313 4.340 -0.002 0.000 0.268 48 R C 0.017 176.380 176.300 0.105 0.000 1.006 48 R CA 0.219 56.341 56.100 0.037 0.000 1.088 48 R CB -0.098 30.216 30.300 0.023 0.000 0.950 48 R HN 0.532 nan 8.270 nan 0.000 0.419 49 N N 1.180 119.908 118.700 0.047 0.000 2.696 49 N HA -0.247 4.491 4.740 -0.002 0.000 0.256 49 N C -1.510 173.962 175.510 -0.062 0.000 1.031 49 N CA 1.067 54.113 53.050 -0.007 0.000 0.730 49 N CB -0.943 37.522 38.487 -0.037 0.000 0.894 49 N HN 0.446 nan 8.380 nan 0.000 0.544 50 Y N -0.016 120.162 120.300 -0.204 0.000 2.361 50 Y HA 0.224 4.773 4.550 -0.002 0.000 0.337 50 Y C 0.396 176.183 175.900 -0.189 0.000 0.965 50 Y CA -0.963 56.912 58.100 -0.376 0.000 1.091 50 Y CB 1.217 39.227 38.460 -0.751 0.000 1.182 50 Y HN -0.022 nan 8.280 nan 0.000 0.450 51 D N 4.640 125.084 120.400 0.073 0.000 2.342 51 D HA 0.117 4.756 4.640 -0.002 0.000 0.260 51 D C -0.207 176.240 176.300 0.246 0.000 1.278 51 D CA 0.361 54.454 54.000 0.155 0.000 0.910 51 D CB 0.676 41.586 40.800 0.184 0.000 1.079 51 D HN 0.617 nan 8.370 nan 0.000 0.496 52 L N 3.436 124.652 121.223 -0.012 0.000 3.035 52 L HA 0.093 4.432 4.340 -0.002 0.000 0.232 52 L C 1.931 178.476 176.870 -0.543 0.000 1.341 52 L CA -0.289 54.291 54.840 -0.433 0.000 1.177 52 L CB 0.087 41.964 42.059 -0.302 0.000 1.555 52 L HN 0.232 nan 8.230 nan 0.000 0.473 53 S N 0.603 116.140 115.700 -0.272 0.000 2.423 53 S HA -0.126 4.343 4.470 -0.002 0.000 0.231 53 S C 1.842 176.371 174.600 -0.118 0.000 1.014 53 S CA 1.217 59.340 58.200 -0.128 0.000 0.965 53 S CB -0.036 63.175 63.200 0.018 0.000 0.785 53 S HN 0.648 nan 8.310 nan 0.000 0.495 54 F N 1.570 121.552 119.950 0.054 0.000 2.134 54 F HA 0.018 4.544 4.527 -0.003 0.000 0.299 54 F C 1.572 177.384 175.800 0.020 0.000 1.097 54 F CA 0.694 58.716 58.000 0.038 0.000 1.264 54 F CB -1.296 37.729 39.000 0.041 0.000 1.001 54 F HN 0.036 nan 8.300 nan 0.000 0.479 55 L N 0.640 121.737 121.223 -0.211 0.000 2.556 55 L HA -0.183 4.156 4.340 -0.002 0.000 0.230 55 L C 2.138 178.956 176.870 -0.086 0.000 1.163 55 L CA 1.155 55.923 54.840 -0.120 0.000 0.819 55 L CB -1.087 40.808 42.059 -0.272 0.000 0.939 55 L HN 0.244 nan 8.230 nan 0.000 0.452 56 K N -0.489 119.872 120.400 -0.066 0.000 2.362 56 K HA -0.074 4.245 4.320 -0.002 0.000 0.200 56 K C 1.745 178.332 176.600 -0.021 0.000 1.046 56 K CA 1.068 57.325 56.287 -0.050 0.000 0.952 56 K CB -0.060 32.420 32.500 -0.033 0.000 0.753 56 K HN 0.238 nan 8.250 nan 0.000 0.466 57 T N 0.788 115.352 114.554 0.016 0.000 3.100 57 T HA 0.165 4.513 4.350 -0.002 0.000 0.253 57 T C 0.566 175.279 174.700 0.022 0.000 1.118 57 T CA 0.153 62.272 62.100 0.031 0.000 1.058 57 T CB 0.146 69.058 68.868 0.072 0.000 0.953 57 T HN 0.027 nan 8.240 nan 0.000 0.515 58 I N 2.032 122.603 120.570 0.003 0.000 2.325 58 I HA 0.174 4.342 4.170 -0.002 0.000 0.291 58 I C 1.106 177.206 176.117 -0.029 0.000 1.019 58 I CA -0.098 61.200 61.300 -0.003 0.000 1.302 58 I CB 1.605 39.588 38.000 -0.027 0.000 1.401 58 I HN 0.152 nan 8.210 nan 0.000 0.485 59 Q N 4.218 124.006 119.800 -0.020 0.000 2.442 59 Q HA 0.241 4.580 4.340 -0.002 0.000 0.228 59 Q C -0.183 175.795 176.000 -0.037 0.000 0.902 59 Q CA 0.331 56.114 55.803 -0.032 0.000 0.933 59 Q CB 0.801 29.526 28.738 -0.023 0.000 1.071 59 Q HN 0.595 nan 8.270 nan 0.000 0.562 60 E N 0.952 121.134 120.200 -0.030 0.000 2.234 60 E HA 0.464 4.812 4.350 -0.002 0.000 0.266 60 E C -1.540 175.042 176.600 -0.030 0.000 0.877 60 E CA -0.457 55.921 56.400 -0.036 0.000 0.758 60 E CB 3.107 32.782 29.700 -0.041 0.000 1.170 60 E HN -0.143 nan 8.360 nan 0.000 0.415 61 V N 2.271 122.164 119.914 -0.034 0.000 2.487 61 V HA 0.266 4.385 4.120 -0.002 0.000 0.298 61 V C 0.626 176.699 176.094 -0.035 0.000 1.028 61 V CA -0.118 62.164 62.300 -0.031 0.000 0.860 61 V CB 1.436 33.236 31.823 -0.038 0.000 0.991 61 V HN 0.921 nan 8.190 nan 0.000 0.427 62 A N 3.831 126.625 122.820 -0.042 0.000 1.975 62 A HA 0.292 4.611 4.320 -0.002 0.000 0.215 62 A C 1.665 179.237 177.584 -0.021 0.000 1.170 62 A CA 1.345 53.355 52.037 -0.044 0.000 0.656 62 A CB -0.362 18.604 19.000 -0.058 0.000 0.821 62 A HN 0.921 nan 8.150 nan 0.000 0.449 63 G N -1.061 107.715 108.800 -0.040 0.000 3.348 63 G HA2 0.424 4.382 3.960 -0.002 0.000 0.180 63 G HA3 0.424 4.382 3.960 -0.002 0.000 0.180 63 G C 0.179 175.119 174.900 0.066 0.000 1.915 63 G CA 0.403 45.487 45.100 -0.027 0.000 0.937 63 G HN 0.661 nan 8.290 nan 0.000 0.564 64 Y N -2.472 117.878 120.300 0.084 0.000 2.662 64 Y HA 0.760 5.310 4.550 -0.000 0.000 0.335 64 Y C -0.903 175.024 175.900 0.044 0.000 1.066 64 Y CA -1.794 56.363 58.100 0.094 0.000 1.116 64 Y CB 1.488 40.049 38.460 0.168 0.000 1.308 64 Y HN 0.239 nan 8.280 nan 0.000 0.502 65 V N 2.933 122.991 119.914 0.240 0.000 2.407 65 V HA 0.387 4.505 4.120 -0.002 0.000 0.291 65 V C -1.186 174.967 176.094 0.098 0.000 1.018 65 V CA -0.535 61.810 62.300 0.076 0.000 0.842 65 V CB 1.218 33.042 31.823 0.001 0.000 0.996 65 V HN 0.692 nan 8.190 nan 0.000 0.426 66 L N 7.531 128.786 121.223 0.055 0.000 2.298 66 L HA 0.686 5.024 4.340 -0.002 0.000 0.284 66 L C -0.703 176.084 176.870 -0.138 0.000 1.013 66 L CA 0.091 54.868 54.840 -0.104 0.000 0.824 66 L CB 1.142 43.128 42.059 -0.122 0.000 1.221 66 L HN 0.571 nan 8.230 nan 0.000 0.418 67 I N 5.839 126.298 120.570 -0.184 0.000 2.466 67 I HA 0.741 4.909 4.170 -0.002 0.000 0.279 67 I C -0.448 175.558 176.117 -0.185 0.000 1.033 67 I CA -0.272 60.937 61.300 -0.152 0.000 1.123 67 I CB 1.389 39.320 38.000 -0.115 0.000 1.237 67 I HN 0.793 nan 8.210 nan 0.000 0.460 68 A N 5.478 128.177 122.820 -0.202 0.000 2.594 68 A HA 0.805 5.123 4.320 -0.002 0.000 0.295 68 A C 0.020 177.421 177.584 -0.306 0.000 1.071 68 A CA -0.545 51.350 52.037 -0.237 0.000 0.685 68 A CB 1.354 20.199 19.000 -0.259 0.000 1.285 68 A HN 0.702 nan 8.150 nan 0.000 0.405 69 L N 0.347 121.382 121.223 -0.314 0.000 3.717 69 L HA -0.224 4.114 4.340 -0.002 0.000 0.414 69 L C -0.012 176.655 176.870 -0.338 0.000 1.228 69 L CA 0.219 54.823 54.840 -0.393 0.000 0.918 69 L CB -1.970 39.743 42.059 -0.575 0.000 1.865 69 L HN 0.751 nan 8.230 nan 0.000 0.922 70 N N -0.531 118.030 118.700 -0.232 0.000 2.472 70 N HA 0.465 5.204 4.740 -0.002 0.000 0.289 70 N C 0.829 176.255 175.510 -0.141 0.000 1.156 70 N CA -0.197 52.751 53.050 -0.171 0.000 0.940 70 N CB 1.561 39.982 38.487 -0.110 0.000 1.200 70 N HN -0.008 nan 8.380 nan 0.000 0.511 71 T N -0.914 113.559 114.554 -0.135 0.000 3.044 71 T HA 0.091 4.439 4.350 -0.002 0.000 0.260 71 T C 0.735 175.406 174.700 -0.049 0.000 1.019 71 T CA -0.238 61.810 62.100 -0.087 0.000 0.921 71 T CB 0.172 68.974 68.868 -0.110 0.000 1.053 71 T HN 0.397 nan 8.240 nan 0.000 0.533 72 V N 1.639 121.521 119.914 -0.053 0.000 2.673 72 V HA 0.179 4.297 4.120 -0.002 0.000 0.303 72 V C 1.569 177.660 176.094 -0.004 0.000 1.046 72 V CA -0.140 62.145 62.300 -0.025 0.000 1.126 72 V CB 0.757 32.566 31.823 -0.024 0.000 0.934 72 V HN 0.343 nan 8.190 nan 0.000 0.487 73 E N 2.742 122.945 120.200 0.004 0.000 2.150 73 E HA -0.089 4.260 4.350 -0.002 0.000 0.193 73 E C 1.087 177.697 176.600 0.017 0.000 0.985 73 E CA 0.665 57.074 56.400 0.015 0.000 0.814 73 E CB 0.287 29.995 29.700 0.013 0.000 0.752 73 E HN 0.723 nan 8.360 nan 0.000 0.466 74 R N 0.467 120.970 120.500 0.005 0.000 2.510 74 R HA 0.355 4.693 4.340 -0.002 0.000 0.294 74 R C -1.569 174.718 176.300 -0.022 0.000 1.056 74 R CA -0.406 55.694 56.100 -0.001 0.000 0.918 74 R CB 0.974 31.271 30.300 -0.006 0.000 1.187 74 R HN -0.002 nan 8.270 nan 0.000 0.437 75 I N 6.546 127.103 120.570 -0.021 0.000 2.390 75 I HA 0.327 4.495 4.170 -0.002 0.000 0.283 75 I C -1.952 174.121 176.117 -0.073 0.000 1.016 75 I CA -2.273 58.993 61.300 -0.058 0.000 1.151 75 I CB 2.159 40.129 38.000 -0.051 0.000 1.293 75 I HN 0.382 nan 8.210 nan 0.000 0.458 76 P HA 0.195 nan 4.420 nan 0.000 0.218 76 P C 0.159 177.384 177.300 -0.124 0.000 1.793 76 P CA -0.156 62.882 63.100 -0.103 0.000 0.941 76 P CB -0.148 31.490 31.700 -0.104 0.000 1.919 77 L N 0.729 121.873 121.223 -0.132 0.000 2.697 77 L HA 0.029 4.367 4.340 -0.002 0.000 0.239 77 L C 1.596 178.364 176.870 -0.170 0.000 1.430 77 L CA 0.384 55.134 54.840 -0.150 0.000 1.193 77 L CB -0.810 41.158 42.059 -0.152 0.000 1.516 77 L HN 0.165 nan 8.230 nan 0.000 0.439 78 E N 0.120 120.236 120.200 -0.139 0.000 2.274 78 E HA -0.117 4.231 4.350 -0.002 0.000 0.194 78 E C 0.653 177.172 176.600 -0.135 0.000 0.996 78 E CA 0.867 57.183 56.400 -0.140 0.000 0.840 78 E CB 0.142 29.786 29.700 -0.094 0.000 0.772 78 E HN 0.689 nan 8.360 nan 0.000 0.491 79 N N 0.350 118.983 118.700 -0.111 0.000 2.200 79 N HA 0.079 4.817 4.740 -0.002 0.000 0.224 79 N C -0.539 174.913 175.510 -0.098 0.000 1.179 79 N CA -0.232 52.762 53.050 -0.094 0.000 0.877 79 N CB 0.595 39.046 38.487 -0.059 0.000 1.072 79 N HN -0.036 nan 8.380 nan 0.000 0.519 80 L N 1.387 122.535 121.223 -0.125 0.000 2.562 80 L HA 0.019 4.357 4.340 -0.002 0.000 0.271 80 L C 1.010 177.813 176.870 -0.112 0.000 1.167 80 L CA 0.940 55.712 54.840 -0.114 0.000 0.917 80 L CB 0.410 42.389 42.059 -0.134 0.000 1.187 80 L HN 0.227 nan 8.230 nan 0.000 0.482 81 Q N 4.209 123.964 119.800 -0.075 0.000 2.387 81 Q HA 0.344 4.683 4.340 -0.002 0.000 0.208 81 Q C 0.029 176.004 176.000 -0.042 0.000 0.935 81 Q CA 0.371 56.138 55.803 -0.061 0.000 0.891 81 Q CB 0.696 29.407 28.738 -0.045 0.000 1.007 81 Q HN 0.750 nan 8.270 nan 0.000 0.548 82 I N 0.240 120.788 120.570 -0.037 0.000 2.769 82 I HA 0.392 4.560 4.170 -0.002 0.000 0.298 82 I C -1.695 174.410 176.117 -0.021 0.000 1.128 82 I CA -1.025 60.260 61.300 -0.025 0.000 1.031 82 I CB 2.019 39.997 38.000 -0.036 0.000 1.235 82 I HN -0.020 nan 8.210 nan 0.000 0.423 83 I N 7.084 127.653 120.570 -0.001 0.000 2.382 83 I HA 0.417 4.585 4.170 -0.002 0.000 0.286 83 I C 0.915 177.029 176.117 -0.006 0.000 1.002 83 I CA -0.424 60.882 61.300 0.009 0.000 1.135 83 I CB 1.712 39.743 38.000 0.052 0.000 1.288 83 I HN 0.605 nan 8.210 nan 0.000 0.448 84 R N 3.855 124.341 120.500 -0.024 0.000 2.153 84 R HA 0.111 4.449 4.340 -0.002 0.000 0.218 84 R C 1.219 177.513 176.300 -0.010 0.000 1.072 84 R CA 0.624 56.686 56.100 -0.063 0.000 0.990 84 R CB 0.023 30.276 30.300 -0.079 0.000 0.889 84 R HN 0.977 nan 8.270 nan 0.000 0.452 85 G N 1.875 110.722 108.800 0.077 0.000 2.314 85 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.292 85 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.292 85 G C 0.169 175.133 174.900 0.107 0.000 1.059 85 G CA 0.369 45.580 45.100 0.186 0.000 0.982 85 G HN 0.276 nan 8.290 nan 0.000 0.505 86 N N -0.542 118.189 118.700 0.051 0.000 2.457 86 N HA 0.100 4.838 4.740 -0.002 0.000 0.180 86 N C 1.071 176.533 175.510 -0.080 0.000 1.050 86 N CA 0.966 54.015 53.050 -0.002 0.000 0.906 86 N CB 0.028 38.521 38.487 0.010 0.000 0.968 86 N HN 0.575 nan 8.380 nan 0.000 0.445 87 M N 0.070 119.666 119.600 -0.006 0.000 2.327 87 M HA 0.257 4.735 4.480 -0.002 0.000 0.298 87 M C -1.074 175.365 176.300 0.232 0.000 1.065 87 M CA -0.501 54.824 55.300 0.041 0.000 0.916 87 M CB 2.138 34.868 32.600 0.217 0.000 1.630 87 M HN -0.071 nan 8.290 nan 0.000 0.442 88 Y N 0.623 121.004 120.300 0.135 0.000 2.307 88 Y HA 0.269 4.818 4.550 -0.001 0.000 0.324 88 Y C -0.321 175.435 175.900 -0.241 0.000 1.238 88 Y CA -0.933 57.171 58.100 0.006 0.000 1.280 88 Y CB 1.115 39.536 38.460 -0.066 0.000 1.248 88 Y HN 0.503 nan 8.280 nan 0.000 0.508 89 Y N 2.168 122.231 120.300 -0.395 0.000 2.313 89 Y HA 0.131 4.679 4.550 -0.003 0.000 0.332 89 Y C 0.424 176.211 175.900 -0.189 0.000 1.071 89 Y CA -1.039 56.710 58.100 -0.584 0.000 1.169 89 Y CB 0.484 38.547 38.460 -0.662 0.000 1.192 89 Y HN 0.741 nan 8.280 nan 0.000 0.487 90 E N 5.116 124.756 120.200 -0.935 0.000 2.320 90 E HA -0.382 3.967 4.350 -0.002 0.000 0.234 90 E C -0.146 176.232 176.600 -0.369 0.000 1.183 90 E CA 0.902 56.894 56.400 -0.680 0.000 0.713 90 E CB -0.944 28.394 29.700 -0.604 0.000 1.226 90 E HN 0.971 nan 8.360 nan 0.000 0.382 91 N N -2.509 116.042 118.700 -0.248 0.000 2.955 91 N HA -0.264 4.474 4.740 -0.002 0.000 0.230 91 N C 0.468 175.880 175.510 -0.163 0.000 0.891 91 N CA 2.014 54.980 53.050 -0.139 0.000 1.002 91 N CB -1.543 36.854 38.487 -0.150 0.000 1.063 91 N HN 0.551 nan 8.380 nan 0.000 0.601 92 S N -3.884 111.563 115.700 -0.422 0.000 2.227 92 S HA 0.140 4.608 4.470 -0.002 0.000 0.267 92 S C -0.170 173.867 174.600 -0.940 0.000 0.987 92 S CA -0.543 57.171 58.200 -0.809 0.000 1.448 92 S CB 0.366 63.101 63.200 -0.775 0.000 1.118 92 S HN 0.233 nan 8.310 nan 0.000 0.555 93 Y N 2.250 122.413 120.300 -0.228 0.000 2.313 93 Y HA 0.784 5.330 4.550 -0.006 0.000 0.332 93 Y C 1.443 177.333 175.900 -0.016 0.000 1.071 93 Y CA -0.377 57.639 58.100 -0.140 0.000 1.169 93 Y CB 1.128 39.557 38.460 -0.052 0.000 1.192 93 Y HN 0.261 nan 8.280 nan 0.000 0.487 94 A N 3.242 126.152 122.820 0.150 0.000 2.030 94 A HA 0.131 4.449 4.320 -0.002 0.000 0.215 94 A C 0.143 177.857 177.584 0.217 0.000 1.164 94 A CA 0.566 52.752 52.037 0.248 0.000 0.697 94 A CB 0.150 19.256 19.000 0.177 0.000 0.827 94 A HN 0.642 nan 8.150 nan 0.000 0.457 95 L N -0.700 120.599 121.223 0.125 0.000 2.446 95 L HA 0.743 5.082 4.340 -0.002 0.000 0.268 95 L C -0.696 176.073 176.870 -0.169 0.000 0.975 95 L CA -0.303 54.549 54.840 0.021 0.000 0.848 95 L CB 1.568 43.658 42.059 0.052 0.000 1.225 95 L HN 0.114 nan 8.230 nan 0.000 0.410 96 A N 4.736 127.423 122.820 -0.221 0.000 2.304 96 A HA 0.802 5.121 4.320 -0.002 0.000 0.314 96 A C -1.212 176.098 177.584 -0.456 0.000 1.187 96 A CA -0.499 51.300 52.037 -0.397 0.000 0.810 96 A CB 1.602 20.422 19.000 -0.299 0.000 1.183 96 A HN 0.506 nan 8.150 nan 0.000 0.487 97 V N 4.757 124.303 119.914 -0.613 0.000 2.327 97 V HA 0.312 4.430 4.120 -0.002 0.000 0.272 97 V C -0.780 175.127 176.094 -0.311 0.000 1.019 97 V CA 0.011 62.019 62.300 -0.486 0.000 0.814 97 V CB 0.407 31.832 31.823 -0.663 0.000 1.040 97 V HN 0.740 nan 8.190 nan 0.000 0.440 98 L N 2.675 123.764 121.223 -0.223 0.000 2.325 98 L HA 0.597 4.935 4.340 -0.002 0.000 0.281 98 L C 0.375 177.193 176.870 -0.086 0.000 1.004 98 L CA -0.643 54.110 54.840 -0.144 0.000 0.823 98 L CB 1.843 43.808 42.059 -0.158 0.000 1.236 98 L HN 0.573 nan 8.230 nan 0.000 0.415 99 S N 2.743 118.450 115.700 0.011 0.000 3.391 99 S HA -0.175 4.294 4.470 -0.002 0.000 0.458 99 S C -0.164 174.379 174.600 -0.095 0.000 0.812 99 S CA 0.139 58.368 58.200 0.049 0.000 1.366 99 S CB -1.155 62.009 63.200 -0.060 0.000 0.943 99 S HN 0.791 nan 8.310 nan 0.000 0.680 100 N N 2.205 120.934 118.700 0.047 0.000 2.918 100 N HA 0.444 5.182 4.740 -0.002 0.000 0.270 100 N C -0.394 175.162 175.510 0.077 0.000 1.536 100 N CA -0.258 52.775 53.050 -0.027 0.000 0.877 100 N CB 0.765 39.254 38.487 0.003 0.000 1.190 100 N HN 0.765 nan 8.380 nan 0.000 0.492 101 Y N -0.951 119.331 120.300 -0.030 0.000 2.974 101 Y HA 0.626 5.174 4.550 -0.004 0.000 0.310 101 Y C -1.365 174.520 175.900 -0.025 0.000 1.551 101 Y CA -1.043 57.047 58.100 -0.018 0.000 1.084 101 Y CB 0.945 39.403 38.460 -0.004 0.000 1.446 101 Y HN -0.022 nan 8.280 nan 0.000 0.472 102 D N -0.365 120.195 120.400 0.266 0.000 2.665 102 D HA 0.381 5.020 4.640 -0.002 0.000 0.287 102 D C -1.201 175.248 176.300 0.248 0.000 1.266 102 D CA -0.529 53.551 54.000 0.134 0.000 0.830 102 D CB 1.543 42.369 40.800 0.043 0.000 1.356 102 D HN 1.028 nan 8.370 nan 0.000 0.437 103 A N 0.389 123.299 122.820 0.150 0.000 2.898 103 A HA 0.214 4.532 4.320 -0.002 0.000 0.288 103 A C 0.544 178.179 177.584 0.085 0.000 1.771 103 A CA 0.418 52.529 52.037 0.124 0.000 1.383 103 A CB -1.578 17.474 19.000 0.086 0.000 1.028 103 A HN 0.601 nan 8.150 nan 0.000 0.595 104 N N -0.298 118.452 118.700 0.082 0.000 2.395 104 N HA -0.001 4.737 4.740 -0.002 0.000 0.334 104 N C 0.402 175.931 175.510 0.033 0.000 1.004 104 N CA 0.537 53.617 53.050 0.050 0.000 1.351 104 N CB -0.047 38.472 38.487 0.053 0.000 2.253 104 N HN 0.949 nan 8.380 nan 0.000 1.053 105 K N 0.296 120.721 120.400 0.042 0.000 3.263 105 K HA -0.133 4.185 4.320 -0.002 0.000 0.277 105 K C -0.490 176.134 176.600 0.040 0.000 1.207 105 K CA 1.675 57.954 56.287 -0.013 0.000 0.818 105 K CB -2.921 29.545 32.500 -0.057 0.000 1.313 105 K HN 0.423 nan 8.250 nan 0.000 0.512 106 T N -2.958 111.651 114.554 0.093 0.000 2.887 106 T HA 0.983 5.332 4.350 -0.002 0.000 0.292 106 T C 1.088 175.849 174.700 0.102 0.000 1.087 106 T CA 0.143 62.291 62.100 0.080 0.000 1.009 106 T CB 2.068 70.967 68.868 0.052 0.000 1.203 106 T HN 1.960 nan 8.240 nan 0.000 0.518 107 G N 0.099 108.942 108.800 0.070 0.000 2.249 107 G HA2 0.222 4.181 3.960 -0.002 0.000 0.089 107 G HA3 0.222 4.181 3.960 -0.002 0.000 0.089 107 G C -1.530 173.401 174.900 0.052 0.000 1.206 107 G CA -0.767 44.365 45.100 0.053 0.000 1.190 107 G HN 0.840 nan 8.290 nan 0.000 0.454 108 L N 2.285 123.544 121.223 0.061 0.000 2.597 108 L HA 0.539 4.878 4.340 -0.002 0.000 0.271 108 L C 1.904 178.824 176.870 0.083 0.000 1.157 108 L CA 2.065 56.946 54.840 0.068 0.000 0.928 108 L CB 0.325 42.434 42.059 0.083 0.000 1.216 108 L HN 1.133 nan 8.230 nan 0.000 0.481 109 K N 3.752 124.191 120.400 0.065 0.000 2.287 109 K HA 0.239 4.558 4.320 -0.002 0.000 0.199 109 K C 0.572 177.215 176.600 0.071 0.000 1.061 109 K CA 0.804 57.128 56.287 0.063 0.000 0.976 109 K CB -0.211 32.314 32.500 0.043 0.000 0.898 109 K HN 0.694 nan 8.250 nan 0.000 0.492 110 E N -0.290 119.950 120.200 0.066 0.000 2.191 110 E HA 0.500 4.848 4.350 -0.002 0.000 0.263 110 E C -1.715 174.935 176.600 0.083 0.000 0.881 110 E CA -0.815 55.626 56.400 0.069 0.000 0.757 110 E CB 1.693 31.418 29.700 0.041 0.000 1.147 110 E HN 0.163 nan 8.360 nan 0.000 0.414 111 L N 5.651 126.952 121.223 0.131 0.000 2.502 111 L HA 0.381 4.720 4.340 -0.002 0.000 0.249 111 L C -2.653 174.300 176.870 0.140 0.000 1.446 111 L CA -1.880 53.044 54.840 0.140 0.000 0.887 111 L CB 1.219 43.417 42.059 0.232 0.000 1.126 111 L HN 0.266 nan 8.230 nan 0.000 0.509 112 P HA 0.248 nan 4.420 nan 0.000 0.230 112 P C 0.180 177.339 177.300 -0.234 0.000 1.791 112 P CA 0.284 63.392 63.100 0.013 0.000 1.020 112 P CB -0.080 31.619 31.700 -0.002 0.000 1.977 113 M N 1.250 120.477 119.600 -0.622 0.000 3.376 113 M HA 0.110 4.589 4.480 -0.002 0.000 0.218 113 M C 1.514 176.950 176.300 -1.441 0.000 1.295 113 M CA -0.081 54.568 55.300 -1.085 0.000 1.386 113 M CB -0.106 31.723 32.600 -1.286 0.000 1.205 113 M HN 0.141 nan 8.290 nan 0.000 0.496 114 R N -0.548 119.481 120.500 -0.786 0.000 2.200 114 R HA -0.113 4.226 4.340 -0.002 0.000 0.234 114 R C 0.683 176.843 176.300 -0.233 0.000 1.127 114 R CA 1.234 57.107 56.100 -0.379 0.000 0.989 114 R CB -0.557 29.685 30.300 -0.097 0.000 0.869 114 R HN 0.505 nan 8.270 nan 0.000 0.459 115 N N 0.651 119.185 118.700 -0.276 0.000 2.236 115 N HA 0.028 4.766 4.740 -0.002 0.000 0.196 115 N C -0.327 175.086 175.510 -0.162 0.000 1.114 115 N CA -0.270 52.684 53.050 -0.161 0.000 0.859 115 N CB 0.429 38.846 38.487 -0.118 0.000 0.982 115 N HN 0.083 nan 8.380 nan 0.000 0.493 116 L N 2.640 123.696 121.223 -0.279 0.000 2.638 116 L HA -0.017 4.321 4.340 -0.002 0.000 0.273 116 L C 1.075 177.941 176.870 -0.008 0.000 1.147 116 L CA 0.803 55.546 54.840 -0.162 0.000 0.941 116 L CB 0.260 42.169 42.059 -0.249 0.000 1.251 116 L HN 0.062 nan 8.230 nan 0.000 0.479 117 Q N 3.252 123.061 119.800 0.016 0.000 2.245 117 Q HA 0.275 4.614 4.340 -0.002 0.000 0.250 117 Q C -0.216 175.823 176.000 0.065 0.000 0.830 117 Q CA 0.070 55.901 55.803 0.047 0.000 0.950 117 Q CB 1.576 30.328 28.738 0.024 0.000 1.124 117 Q HN 0.684 nan 8.270 nan 0.000 0.502 118 E N 0.914 121.150 120.200 0.059 0.000 2.291 118 E HA 0.409 4.757 4.350 -0.002 0.000 0.276 118 E C -1.539 175.099 176.600 0.063 0.000 0.896 118 E CA -0.261 56.176 56.400 0.062 0.000 0.774 118 E CB 1.920 31.635 29.700 0.025 0.000 1.227 118 E HN 0.032 nan 8.360 nan 0.000 0.413 119 I N 5.438 126.067 120.570 0.098 0.000 2.328 119 I HA 0.102 4.271 4.170 -0.002 0.000 0.287 119 I C 0.722 176.836 176.117 -0.005 0.000 1.012 119 I CA -0.324 61.017 61.300 0.070 0.000 1.195 119 I CB 1.185 39.269 38.000 0.141 0.000 1.350 119 I HN 0.548 nan 8.210 nan 0.000 0.464 120 L N 6.636 127.800 121.223 -0.100 0.000 2.109 120 L HA 0.078 4.417 4.340 -0.002 0.000 0.207 120 L C 0.349 177.016 176.870 -0.340 0.000 1.086 120 L CA 1.739 56.428 54.840 -0.251 0.000 0.760 120 L CB -0.466 41.347 42.059 -0.409 0.000 0.910 120 L HN 0.512 nan 8.230 nan 0.000 0.437 121 H N -1.782 117.195 119.070 -0.156 0.000 2.961 121 H HA 0.620 5.175 4.556 -0.003 0.000 0.371 121 H C 0.148 175.120 175.328 -0.594 0.000 1.190 121 H CA -0.585 55.191 56.048 -0.454 0.000 1.138 121 H CB 1.221 30.915 29.762 -0.114 0.000 1.816 121 H HN 0.096 nan 8.280 nan 0.000 0.551 122 G N -0.060 107.837 108.800 -1.505 0.000 2.699 122 G HA2 0.304 4.263 3.960 -0.002 0.000 0.686 122 G HA3 0.304 4.263 3.960 -0.002 0.000 0.686 122 G C -0.633 174.003 174.900 -0.441 0.000 1.301 122 G CA -0.178 44.346 45.100 -0.960 0.000 0.816 122 G HN 0.821 nan 8.290 nan 0.000 0.595 123 A N -0.848 121.885 122.820 -0.146 0.000 2.624 123 A HA 0.999 5.318 4.320 -0.002 0.000 0.267 123 A C -0.024 177.645 177.584 0.141 0.000 1.282 123 A CA 0.027 52.124 52.037 0.100 0.000 0.934 123 A CB 1.527 20.636 19.000 0.182 0.000 1.510 123 A HN 2.059 nan 8.150 nan 0.000 0.477 124 V N 0.116 120.080 119.914 0.083 0.000 2.638 124 V HA 0.647 4.766 4.120 -0.002 0.000 0.306 124 V C -0.302 175.628 176.094 -0.274 0.000 1.052 124 V CA -0.590 61.632 62.300 -0.131 0.000 0.885 124 V CB 1.617 33.218 31.823 -0.369 0.000 0.999 124 V HN 0.948 nan 8.190 nan 0.000 0.424 125 R N 3.326 123.515 120.500 -0.517 0.000 2.628 125 R HA 0.718 5.056 4.340 -0.002 0.000 0.288 125 R C -2.286 173.659 176.300 -0.591 0.000 0.980 125 R CA -0.461 55.269 56.100 -0.617 0.000 0.891 125 R CB 1.671 31.275 30.300 -1.160 0.000 1.188 125 R HN 0.529 nan 8.270 nan 0.000 0.450 126 F N 1.735 121.447 119.950 -0.396 0.000 2.536 126 F HA 0.474 4.999 4.527 -0.004 0.000 0.322 126 F C -0.218 175.369 175.800 -0.356 0.000 1.144 126 F CA -0.424 57.381 58.000 -0.326 0.000 0.924 126 F CB 2.566 41.344 39.000 -0.370 0.000 1.181 126 F HN 0.436 nan 8.300 nan 0.000 0.438 127 S N 3.588 119.229 115.700 -0.099 0.000 2.548 127 S HA 0.415 4.884 4.470 -0.002 0.000 0.276 127 S C -1.074 173.526 174.600 0.001 0.000 1.129 127 S CA -0.782 57.367 58.200 -0.086 0.000 0.931 127 S CB 0.613 63.754 63.200 -0.098 0.000 1.068 127 S HN 0.703 nan 8.310 nan 0.000 0.480 128 N N 2.968 121.677 118.700 0.015 0.000 2.614 128 N HA -0.180 4.558 4.740 -0.002 0.000 0.276 128 N C -1.424 174.189 175.510 0.171 0.000 1.119 128 N CA 0.926 54.023 53.050 0.078 0.000 0.742 128 N CB -1.454 37.122 38.487 0.148 0.000 0.900 128 N HN 0.692 nan 8.380 nan 0.000 0.549 129 N N 0.504 119.289 118.700 0.142 0.000 2.790 129 N HA 0.189 4.927 4.740 -0.002 0.000 0.256 129 N C -1.937 173.654 175.510 0.135 0.000 1.409 129 N CA -1.091 52.068 53.050 0.182 0.000 0.799 129 N CB 1.134 39.759 38.487 0.230 0.000 1.170 129 N HN 0.145 nan 8.380 nan 0.000 0.507 130 P HA -0.040 nan 4.420 nan 0.000 0.244 130 P C 0.282 177.615 177.300 0.054 0.000 1.211 130 P CA 0.625 63.741 63.100 0.028 0.000 0.760 130 P CB 0.404 32.064 31.700 -0.067 0.000 0.961 131 A N -0.957 121.914 122.820 0.084 0.000 2.456 131 A HA 0.222 4.540 4.320 -0.002 0.000 0.237 131 A C 0.603 178.236 177.584 0.080 0.000 1.217 131 A CA -0.167 51.913 52.037 0.073 0.000 0.962 131 A CB -0.293 18.749 19.000 0.070 0.000 1.079 131 A HN 0.180 nan 8.150 nan 0.000 0.536 132 L N 1.355 122.646 121.223 0.114 0.000 2.418 132 L HA 0.342 4.680 4.340 -0.002 0.000 0.274 132 L C -0.212 176.695 176.870 0.061 0.000 1.135 132 L CA 0.050 54.963 54.840 0.122 0.000 0.870 132 L CB 0.102 42.289 42.059 0.212 0.000 1.154 132 L HN 0.339 nan 8.230 nan 0.000 0.462 133 c N 4.930 123.548 118.600 0.029 0.000 2.358 133 c HA 0.482 5.051 4.570 -0.002 0.000 0.354 133 c C 1.360 175.402 174.090 -0.081 0.000 1.183 133 c CA -0.457 55.855 56.329 -0.028 0.000 2.150 133 c CB 1.081 43.584 42.510 -0.012 0.000 2.361 133 c HN 1.055 nan 8.230 nan 0.000 0.535 134 N N 0.051 118.660 118.700 -0.152 0.000 2.282 134 N HA -0.202 4.537 4.740 -0.002 0.000 0.222 134 N C 1.067 176.371 175.510 -0.344 0.000 0.937 134 N CA 1.885 54.814 53.050 -0.201 0.000 2.775 134 N CB -1.402 37.019 38.487 -0.110 0.000 0.817 134 N HN 0.531 nan 8.380 nan 0.000 0.463 135 V N 3.163 122.887 119.914 -0.316 0.000 2.313 135 V HA -0.333 3.786 4.120 -0.002 0.000 0.253 135 V C 2.626 178.247 176.094 -0.789 0.000 1.070 135 V CA 2.866 64.877 62.300 -0.483 0.000 1.057 135 V CB -0.798 30.874 31.823 -0.251 0.000 0.653 135 V HN 0.617 nan 8.190 nan 0.000 0.450 136 E N 1.664 121.260 120.200 -1.007 0.000 2.217 136 E HA -0.426 3.923 4.350 -0.002 0.000 0.219 136 E C 2.045 178.246 176.600 -0.666 0.000 1.070 136 E CA 2.810 58.521 56.400 -1.149 0.000 0.889 136 E CB -0.643 28.673 29.700 -0.641 0.000 0.768 136 E HN 0.746 nan 8.360 nan 0.000 0.465 137 S N 0.202 115.595 115.700 -0.511 0.000 2.478 137 S HA 0.060 4.529 4.470 -0.002 0.000 0.222 137 S C 1.119 175.468 174.600 -0.418 0.000 1.008 137 S CA -0.116 57.855 58.200 -0.382 0.000 0.928 137 S CB -0.388 62.621 63.200 -0.319 0.000 0.781 137 S HN 0.209 nan 8.310 nan 0.000 0.518 138 I N 2.470 122.665 120.570 -0.624 0.000 3.058 138 I HA -0.066 4.103 4.170 -0.002 0.000 0.299 138 I C 0.684 176.455 176.117 -0.577 0.000 1.238 138 I CA 0.934 61.741 61.300 -0.821 0.000 1.423 138 I CB 0.278 37.398 38.000 -1.468 0.000 1.330 138 I HN 0.350 nan 8.210 nan 0.000 0.589 139 Q N 4.895 124.394 119.800 -0.502 0.000 2.569 139 Q HA 0.096 4.434 4.340 -0.002 0.000 0.226 139 Q C -0.027 175.831 176.000 -0.236 0.000 1.136 139 Q CA -0.179 55.472 55.803 -0.253 0.000 0.947 139 Q CB 0.346 28.995 28.738 -0.147 0.000 1.218 139 Q HN 0.645 nan 8.270 nan 0.000 0.547 140 W N 0.955 122.247 121.300 -0.014 0.000 2.341 140 W HA -0.194 4.467 4.660 0.001 0.000 0.283 140 W C 2.064 178.624 176.519 0.069 0.000 1.215 140 W CA 0.497 57.876 57.345 0.056 0.000 1.211 140 W CB -0.052 29.459 29.460 0.085 0.000 1.131 140 W HN 0.537 nan 8.180 nan 0.000 0.552 141 R N 0.426 121.059 120.500 0.222 0.000 2.226 141 R HA -0.228 4.111 4.340 -0.002 0.000 0.246 141 R C 1.310 177.679 176.300 0.115 0.000 1.161 141 R CA 2.067 58.258 56.100 0.152 0.000 0.997 141 R CB -0.393 29.966 30.300 0.098 0.000 0.870 141 R HN 0.188 nan 8.270 nan 0.000 0.465 142 D N -1.187 119.261 120.400 0.079 0.000 2.301 142 D HA 0.051 4.690 4.640 -0.002 0.000 0.206 142 D C 1.533 177.886 176.300 0.089 0.000 0.979 142 D CA 0.498 54.534 54.000 0.059 0.000 0.874 142 D CB 0.350 41.156 40.800 0.010 0.000 0.968 142 D HN 0.201 nan 8.370 nan 0.000 0.510 143 I N -0.342 120.307 120.570 0.132 0.000 2.429 143 I HA 0.022 4.191 4.170 -0.002 0.000 0.247 143 I C 0.517 176.767 176.117 0.221 0.000 1.099 143 I CA 0.242 61.654 61.300 0.186 0.000 1.422 143 I CB 0.281 38.441 38.000 0.266 0.000 1.112 143 I HN -0.195 nan 8.210 nan 0.000 0.430 144 V N 1.750 121.832 119.914 0.280 0.000 2.539 144 V HA 0.205 4.323 4.120 -0.002 0.000 0.292 144 V C 0.314 176.541 176.094 0.221 0.000 1.045 144 V CA -0.710 61.747 62.300 0.261 0.000 0.945 144 V CB 1.615 33.628 31.823 0.317 0.000 0.993 144 V HN 0.380 nan 8.190 nan 0.000 0.464 145 S N 2.486 118.322 115.700 0.228 0.000 2.580 145 S HA 0.119 4.588 4.470 -0.002 0.000 0.274 145 S C 1.427 176.194 174.600 0.279 0.000 1.329 145 S CA 0.081 58.428 58.200 0.245 0.000 1.036 145 S CB 1.286 64.650 63.200 0.272 0.000 0.919 145 S HN 1.065 nan 8.310 nan 0.000 0.515 146 S N 0.974 116.789 115.700 0.193 0.000 2.420 146 S HA -0.224 4.244 4.470 -0.002 0.000 0.237 146 S C 1.023 175.686 174.600 0.105 0.000 1.023 146 S CA 1.576 59.859 58.200 0.138 0.000 0.991 146 S CB -0.821 62.436 63.200 0.094 0.000 0.792 146 S HN 0.788 nan 8.310 nan 0.000 0.488 147 D N 0.516 120.984 120.400 0.114 0.000 2.264 147 D HA 0.055 4.694 4.640 -0.002 0.000 0.208 147 D C 0.585 176.652 176.300 -0.388 0.000 0.966 147 D CA 0.885 54.800 54.000 -0.142 0.000 0.864 147 D CB -0.183 40.490 40.800 -0.213 0.000 0.933 147 D HN 0.599 nan 8.370 nan 0.000 0.499 148 F N -0.955 119.027 119.950 0.055 0.000 2.661 148 F HA 0.261 4.786 4.527 -0.003 0.000 0.306 148 F C 1.441 177.262 175.800 0.036 0.000 1.094 148 F CA -0.367 57.648 58.000 0.027 0.000 1.254 148 F CB 0.020 39.035 39.000 0.025 0.000 1.040 148 F HN -0.132 nan 8.300 nan 0.000 0.562 149 L N -0.221 121.108 121.223 0.177 0.000 2.056 149 L HA -0.102 4.237 4.340 -0.002 0.000 0.207 149 L C 1.960 178.880 176.870 0.084 0.000 1.078 149 L CA 1.649 56.571 54.840 0.138 0.000 0.749 149 L CB -0.417 41.715 42.059 0.122 0.000 0.901 149 L HN -0.066 nan 8.230 nan 0.000 0.433 150 S N 0.026 115.751 115.700 0.043 0.000 2.803 150 S HA 0.108 4.577 4.470 -0.002 0.000 0.228 150 S C 0.780 175.388 174.600 0.014 0.000 0.953 150 S CA 0.055 58.266 58.200 0.019 0.000 0.983 150 S CB -0.618 62.578 63.200 -0.006 0.000 0.784 150 S HN 0.424 nan 8.310 nan 0.000 0.498 151 N N 0.977 119.702 118.700 0.043 0.000 2.451 151 N HA 0.301 5.039 4.740 -0.002 0.000 0.271 151 N C -0.976 174.603 175.510 0.115 0.000 1.410 151 N CA 0.074 53.153 53.050 0.047 0.000 0.884 151 N CB 0.587 39.082 38.487 0.012 0.000 1.332 151 N HN 0.335 nan 8.380 nan 0.000 0.498 152 M N 0.325 119.975 119.600 0.084 0.000 2.404 152 M HA 0.231 4.710 4.480 -0.002 0.000 0.338 152 M C 0.211 176.517 176.300 0.010 0.000 1.150 152 M CA -0.371 54.964 55.300 0.058 0.000 1.016 152 M CB 2.251 34.837 32.600 -0.024 0.000 1.672 152 M HN -0.177 nan 8.290 nan 0.000 0.448 153 S N 4.648 120.313 115.700 -0.057 0.000 2.532 153 S HA 0.622 5.091 4.470 -0.002 0.000 0.318 153 S C -0.919 173.568 174.600 -0.188 0.000 1.083 153 S CA -0.794 57.338 58.200 -0.113 0.000 1.131 153 S CB 0.250 63.375 63.200 -0.125 0.000 0.973 153 S HN 0.659 nan 8.310 nan 0.000 0.468 154 M N 4.862 124.351 119.600 -0.185 0.000 2.134 154 M HA 0.423 4.901 4.480 -0.002 0.000 0.310 154 M C -1.138 174.909 176.300 -0.422 0.000 0.966 154 M CA -0.419 54.695 55.300 -0.310 0.000 0.922 154 M CB 1.528 34.027 32.600 -0.169 0.000 1.537 154 M HN 0.674 nan 8.290 nan 0.000 0.424 155 D N 4.906 124.860 120.400 -0.742 0.000 2.764 155 D HA 0.438 5.077 4.640 -0.002 0.000 0.227 155 D C -2.099 173.734 176.300 -0.779 0.000 1.347 155 D CA -0.183 53.490 54.000 -0.546 0.000 0.953 155 D CB 1.463 42.110 40.800 -0.255 0.000 1.476 155 D HN 0.398 nan 8.370 nan 0.000 0.585 156 F N 2.169 122.112 119.950 -0.010 0.000 2.659 156 F HA 0.338 4.866 4.527 0.001 0.000 0.342 156 F C 0.753 176.543 175.800 -0.018 0.000 1.168 156 F CA -0.782 57.211 58.000 -0.012 0.000 1.003 156 F CB 1.829 40.801 39.000 -0.048 0.000 1.267 156 F HN 0.104 nan 8.300 nan 0.000 0.463 157 Q N 2.429 122.300 119.800 0.118 0.000 2.211 157 Q HA 0.151 4.490 4.340 -0.002 0.000 0.301 157 Q C -0.654 175.376 176.000 0.050 0.000 0.884 157 Q CA -0.224 55.614 55.803 0.058 0.000 1.115 157 Q CB 0.656 29.401 28.738 0.011 0.000 1.217 157 Q HN 0.909 nan 8.270 nan 0.000 0.451 158 N N -1.577 117.161 118.700 0.064 0.000 2.456 158 N HA 0.094 4.833 4.740 -0.002 0.000 0.288 158 N C 0.838 176.390 175.510 0.070 0.000 1.059 158 N CA -0.437 52.649 53.050 0.061 0.000 0.946 158 N CB 1.090 39.609 38.487 0.054 0.000 1.150 158 N HN -0.047 nan 8.380 nan 0.000 0.479 159 H N 2.690 121.759 119.070 -0.002 0.000 2.363 159 H HA 0.213 4.767 4.556 -0.003 0.000 0.301 159 H C -0.058 175.265 175.328 -0.007 0.000 1.074 159 H CA 1.282 57.328 56.048 -0.004 0.000 1.354 159 H CB 0.337 30.094 29.762 -0.008 0.000 1.397 159 H HN 0.612 nan 8.280 nan 0.000 0.516 160 L N -2.572 118.780 121.223 0.215 0.000 2.461 160 L HA 0.529 4.868 4.340 -0.002 0.000 0.242 160 L C 0.175 177.087 176.870 0.069 0.000 1.143 160 L CA -0.201 54.716 54.840 0.129 0.000 0.984 160 L CB 2.348 44.519 42.059 0.186 0.000 1.573 160 L HN 0.419 nan 8.230 nan 0.000 0.404 161 G N -0.771 108.056 108.800 0.045 0.000 2.351 161 G HA2 0.092 4.051 3.960 -0.002 0.000 0.279 161 G HA3 0.092 4.051 3.960 -0.002 0.000 0.279 161 G C -0.684 174.227 174.900 0.018 0.000 1.297 161 G CA 0.015 45.133 45.100 0.030 0.000 0.886 161 G HN 0.714 nan 8.290 nan 0.000 0.493 162 S N -1.019 114.690 115.700 0.016 0.000 3.033 162 S HA 0.333 4.801 4.470 -0.002 0.000 0.258 162 S C 0.266 174.869 174.600 0.005 0.000 1.207 162 S CA 0.060 58.266 58.200 0.011 0.000 1.248 162 S CB -1.080 62.128 63.200 0.013 0.000 0.932 162 S HN 0.890 nan 8.310 nan 0.000 0.472 163 c N 3.143 121.743 118.600 -0.000 0.000 2.239 163 c HA 0.422 4.990 4.570 -0.002 0.000 0.325 163 c C 0.609 174.689 174.090 -0.016 0.000 1.231 163 c CA -0.897 55.425 56.329 -0.011 0.000 1.652 163 c CB 0.004 42.502 42.510 -0.021 0.000 2.284 163 c HN 0.610 nan 8.230 nan 0.000 0.499 164 Q N 2.551 122.341 119.800 -0.017 0.000 2.327 164 Q HA 0.195 4.534 4.340 -0.002 0.000 0.254 164 Q C 0.156 176.136 176.000 -0.032 0.000 0.952 164 Q CA 0.166 55.957 55.803 -0.020 0.000 0.884 164 Q CB 1.142 29.871 28.738 -0.014 0.000 1.224 164 Q HN 0.640 nan 8.270 nan 0.000 0.422 165 K N 0.691 121.071 120.400 -0.034 0.000 2.276 165 K HA 0.093 4.411 4.320 -0.002 0.000 0.259 165 K C -0.083 176.489 176.600 -0.045 0.000 1.001 165 K CA -0.363 55.897 56.287 -0.045 0.000 0.927 165 K CB 0.593 33.069 32.500 -0.040 0.000 0.969 165 K HN 0.665 nan 8.250 nan 0.000 0.490 166 c N 1.206 119.771 118.600 -0.059 0.000 2.705 166 c HA 0.018 4.587 4.570 -0.002 0.000 0.365 166 c C 0.845 174.910 174.090 -0.042 0.000 1.353 166 c CA -0.611 55.684 56.329 -0.056 0.000 2.339 166 c CB -0.101 42.362 42.510 -0.078 0.000 2.576 166 c HN 0.714 nan 8.230 nan 0.000 0.716 167 D N 1.038 121.417 120.400 -0.034 0.000 2.414 167 D HA 0.060 4.699 4.640 -0.002 0.000 0.242 167 D C -1.387 174.895 176.300 -0.031 0.000 1.129 167 D CA -0.682 53.302 54.000 -0.027 0.000 0.885 167 D CB 1.050 41.839 40.800 -0.019 0.000 1.198 167 D HN 0.262 nan 8.370 nan 0.000 0.437 168 P HA -0.135 nan 4.420 nan 0.000 0.217 168 P C 0.699 177.983 177.300 -0.027 0.000 1.148 168 P CA 1.026 64.110 63.100 -0.027 0.000 0.828 168 P CB 0.049 31.736 31.700 -0.021 0.000 0.783 169 S N -2.249 113.437 115.700 -0.023 0.000 3.033 169 S HA 0.136 4.605 4.470 -0.002 0.000 0.258 169 S C 0.212 174.797 174.600 -0.025 0.000 1.207 169 S CA -0.494 57.694 58.200 -0.021 0.000 1.248 169 S CB -1.668 61.522 63.200 -0.015 0.000 0.932 169 S HN 0.009 nan 8.310 nan 0.000 0.472 170 c N 3.016 121.595 118.600 -0.035 0.000 2.493 170 c HA 0.646 5.215 4.570 -0.002 0.000 0.326 170 c C -2.219 171.840 174.090 -0.051 0.000 1.200 170 c CA -1.700 54.602 56.329 -0.045 0.000 1.739 170 c CB 1.419 43.892 42.510 -0.060 0.000 2.300 170 c HN 0.447 nan 8.230 nan 0.000 0.500 171 P HA 0.107 nan 4.420 nan 0.000 0.276 171 P C -0.122 177.134 177.300 -0.074 0.000 1.253 171 P CA 0.548 63.614 63.100 -0.058 0.000 0.766 171 P CB 0.129 31.794 31.700 -0.058 0.000 0.845 172 N N 3.365 122.028 118.700 -0.061 0.000 2.685 172 N HA -0.241 4.498 4.740 -0.002 0.000 0.251 172 N C 0.988 176.447 175.510 -0.085 0.000 1.020 172 N CA 1.721 54.731 53.050 -0.065 0.000 0.762 172 N CB -1.353 37.098 38.487 -0.061 0.000 0.958 172 N HN 0.868 nan 8.380 nan 0.000 0.539 173 G N -1.979 106.768 108.800 -0.088 0.000 2.147 173 G HA2 -0.271 3.687 3.960 -0.002 0.000 0.244 173 G HA3 -0.271 3.687 3.960 -0.002 0.000 0.244 173 G C -0.104 174.711 174.900 -0.142 0.000 1.005 173 G CA 0.417 45.456 45.100 -0.101 0.000 0.713 173 G HN 1.161 nan 8.290 nan 0.000 0.515 174 S N -0.805 114.795 115.700 -0.166 0.000 2.437 174 S HA 0.809 5.277 4.470 -0.002 0.000 0.305 174 S C 0.260 174.706 174.600 -0.256 0.000 1.109 174 S CA -0.215 57.834 58.200 -0.251 0.000 1.099 174 S CB 2.150 65.169 63.200 -0.301 0.000 1.004 174 S HN 1.809 nan 8.310 nan 0.000 0.475 175 c N 0.916 119.329 118.600 -0.312 0.000 3.332 175 c HA 0.755 5.324 4.570 -0.002 0.000 0.329 175 c C -0.346 173.539 174.090 -0.343 0.000 1.434 175 c CA -1.035 55.145 56.329 -0.249 0.000 1.314 175 c CB -0.293 42.157 42.510 -0.100 0.000 1.664 175 c HN 0.988 nan 8.230 nan 0.000 0.457 176 W N 1.149 122.380 121.300 -0.115 0.000 3.220 176 W HA 0.543 5.201 4.660 -0.003 0.000 0.328 176 W C 1.192 177.669 176.519 -0.070 0.000 1.205 176 W CA 0.894 58.180 57.345 -0.098 0.000 1.773 176 W CB 0.570 29.982 29.460 -0.080 0.000 1.086 176 W HN 1.362 nan 8.180 nan 0.000 0.622 177 G N -0.515 108.348 108.800 0.105 0.000 2.323 177 G HA2 0.426 4.385 3.960 -0.002 0.000 0.291 177 G HA3 0.426 4.385 3.960 -0.002 0.000 0.291 177 G C -1.664 173.251 174.900 0.025 0.000 1.278 177 G CA -0.547 44.589 45.100 0.060 0.000 0.860 177 G HN 0.087 nan 8.290 nan 0.000 0.504 178 A N -1.032 121.797 122.820 0.016 0.000 2.316 178 A HA 0.995 5.314 4.320 -0.002 0.000 0.284 178 A C 0.970 178.558 177.584 0.007 0.000 1.115 178 A CA 1.058 53.097 52.037 0.003 0.000 0.812 178 A CB 0.487 19.486 19.000 -0.001 0.000 1.064 178 A HN 2.812 nan 8.150 nan 0.000 0.489 179 G N 0.840 109.640 108.800 0.000 0.000 2.663 179 G HA2 -0.024 3.935 3.960 -0.002 0.000 0.686 179 G HA3 -0.024 3.935 3.960 -0.002 0.000 0.686 179 G C 0.431 175.333 174.900 0.003 0.000 1.246 179 G CA 0.224 45.325 45.100 0.001 0.000 0.795 179 G HN 1.344 nan 8.290 nan 0.000 0.627 180 E N 0.526 120.726 120.200 0.000 0.000 2.110 180 E HA -0.225 4.124 4.350 -0.002 0.000 0.193 180 E C 1.986 178.591 176.600 0.009 0.000 0.988 180 E CA 1.903 58.303 56.400 0.001 0.000 0.804 180 E CB -0.336 29.363 29.700 -0.002 0.000 0.745 180 E HN 0.899 nan 8.360 nan 0.000 0.458 181 E N 1.118 121.322 120.200 0.008 0.000 2.187 181 E HA -0.240 4.108 4.350 -0.002 0.000 0.199 181 E C 1.195 177.810 176.600 0.025 0.000 1.004 181 E CA 1.504 57.910 56.400 0.009 0.000 0.813 181 E CB -0.407 29.294 29.700 0.002 0.000 0.736 181 E HN 0.247 nan 8.360 nan 0.000 0.468 182 N N 0.186 118.911 118.700 0.042 0.000 2.336 182 N HA 0.052 4.790 4.740 -0.002 0.000 0.189 182 N C -0.059 175.525 175.510 0.122 0.000 1.113 182 N CA 0.179 53.287 53.050 0.096 0.000 0.858 182 N CB -0.241 38.307 38.487 0.102 0.000 0.970 182 N HN 0.137 nan 8.380 nan 0.000 0.471 183 c N 2.048 120.682 118.600 0.056 0.000 2.563 183 c HA -0.034 4.535 4.570 -0.002 0.000 0.411 183 c C 1.347 175.477 174.090 0.067 0.000 1.386 183 c CA -0.488 55.856 56.329 0.024 0.000 1.703 183 c CB -0.779 41.730 42.510 -0.001 0.000 2.596 183 c HN 0.425 nan 8.230 nan 0.000 0.605 184 Q N 2.784 122.590 119.800 0.011 0.000 2.289 184 Q HA 0.138 4.476 4.340 -0.002 0.000 0.273 184 Q C -0.473 175.547 176.000 0.032 0.000 1.029 184 Q CA 0.428 56.259 55.803 0.047 0.000 0.896 184 Q CB 0.399 29.053 28.738 -0.140 0.000 1.182 184 Q HN 0.605 nan 8.270 nan 0.000 0.385 185 K N 4.816 125.256 120.400 0.066 0.000 2.285 185 K HA 0.284 4.602 4.320 -0.002 0.000 0.286 185 K C -0.863 175.750 176.600 0.021 0.000 1.072 185 K CA -0.152 56.153 56.287 0.030 0.000 0.913 185 K CB 0.628 33.145 32.500 0.028 0.000 1.067 185 K HN 0.531 nan 8.250 nan 0.000 0.479 186 L N 2.880 124.104 121.223 0.003 0.000 2.276 186 L HA 0.304 4.643 4.340 -0.002 0.000 0.286 186 L C 0.775 177.650 176.870 0.009 0.000 1.061 186 L CA -0.515 54.325 54.840 0.000 0.000 0.807 186 L CB 0.981 43.031 42.059 -0.014 0.000 1.177 186 L HN 0.704 nan 8.230 nan 0.000 0.429 187 T N -1.837 112.727 114.554 0.017 0.000 3.415 187 T HA 0.267 4.616 4.350 -0.002 0.000 0.282 187 T C 0.377 175.092 174.700 0.025 0.000 1.007 187 T CA -0.479 61.633 62.100 0.020 0.000 0.958 187 T CB 0.280 69.160 68.868 0.021 0.000 1.171 187 T HN 0.748 nan 8.240 nan 0.000 0.500 188 K N 0.047 120.462 120.400 0.025 0.000 2.948 188 K HA 0.310 4.628 4.320 -0.002 0.000 0.182 188 K C 1.218 177.834 176.600 0.027 0.000 1.750 188 K CA 0.055 56.361 56.287 0.031 0.000 1.390 188 K CB 0.118 32.643 32.500 0.043 0.000 1.986 188 K HN 0.252 nan 8.250 nan 0.000 0.628 189 I N 2.819 123.403 120.570 0.022 0.000 2.058 189 I HA -0.213 3.956 4.170 -0.002 0.000 0.235 189 I C 1.097 177.221 176.117 0.011 0.000 1.053 189 I CA 1.166 62.476 61.300 0.016 0.000 1.313 189 I CB -0.317 37.687 38.000 0.006 0.000 1.039 189 I HN 0.201 nan 8.210 nan 0.000 0.396 190 I N -1.112 119.462 120.570 0.006 0.000 2.416 190 I HA 0.373 4.541 4.170 -0.002 0.000 0.288 190 I C -0.101 176.021 176.117 0.008 0.000 1.051 190 I CA -0.028 61.274 61.300 0.004 0.000 1.375 190 I CB 0.977 38.976 38.000 -0.001 0.000 1.407 190 I HN 0.224 nan 8.210 nan 0.000 0.516 191 c N 3.588 122.194 118.600 0.009 0.000 3.272 191 c HA 0.805 5.374 4.570 -0.002 0.000 0.300 191 c C -1.316 172.780 174.090 0.010 0.000 2.127 191 c CA 0.173 56.508 56.329 0.012 0.000 1.069 191 c CB 0.622 43.141 42.510 0.016 0.000 2.326 191 c HN 1.262 nan 8.230 nan 0.000 0.378 192 A N 0.300 123.127 122.820 0.012 0.000 2.532 192 A HA 0.562 4.880 4.320 -0.002 0.000 0.296 192 A C -0.065 177.525 177.584 0.010 0.000 1.058 192 A CA 0.436 52.479 52.037 0.010 0.000 0.729 192 A CB 1.125 20.130 19.000 0.009 0.000 1.285 192 A HN 0.793 nan 8.150 nan 0.000 0.396 193 Q N 0.838 120.643 119.800 0.009 0.000 2.224 193 Q HA -0.286 4.053 4.340 -0.002 0.000 0.213 193 Q C 1.573 177.578 176.000 0.009 0.000 0.998 193 Q CA 2.915 58.723 55.803 0.009 0.000 0.895 193 Q CB -0.229 28.513 28.738 0.007 0.000 0.926 193 Q HN 0.843 nan 8.270 nan 0.000 0.417 194 Q N -1.554 118.250 119.800 0.007 0.000 2.230 194 Q HA 0.050 4.388 4.340 -0.002 0.000 0.202 194 Q C 0.130 176.134 176.000 0.006 0.000 0.963 194 Q CA 0.563 56.369 55.803 0.005 0.000 0.866 194 Q CB 0.086 28.827 28.738 0.004 0.000 0.931 194 Q HN 0.277 nan 8.270 nan 0.000 0.452 195 c N 1.515 120.121 118.600 0.009 0.000 2.566 195 c HA 0.211 4.779 4.570 -0.002 0.000 0.393 195 c C 1.058 175.157 174.090 0.014 0.000 1.309 195 c CA -0.506 55.829 56.329 0.011 0.000 1.801 195 c CB -0.399 42.121 42.510 0.015 0.000 2.493 195 c HN 0.391 nan 8.230 nan 0.000 0.575 196 S N 2.278 117.984 115.700 0.010 0.000 2.577 196 S HA 0.589 5.058 4.470 -0.002 0.000 0.239 196 S C 0.470 175.083 174.600 0.021 0.000 1.236 196 S CA 0.085 58.294 58.200 0.015 0.000 1.233 196 S CB 0.019 63.223 63.200 0.007 0.000 0.908 196 S HN 1.199 nan 8.310 nan 0.000 0.493 197 G N 1.127 109.943 108.800 0.028 0.000 2.593 197 G HA2 0.313 4.271 3.960 -0.002 0.000 0.103 197 G HA3 0.313 4.271 3.960 -0.002 0.000 0.103 197 G C -1.344 173.578 174.900 0.037 0.000 1.103 197 G CA -0.938 44.184 45.100 0.035 0.000 1.109 197 G HN 0.341 nan 8.290 nan 0.000 0.516 198 R N -0.816 119.707 120.500 0.038 0.000 2.856 198 R HA 0.723 5.061 4.340 -0.002 0.000 0.258 198 R C -0.692 175.627 176.300 0.032 0.000 1.066 198 R CA -0.026 56.095 56.100 0.035 0.000 1.045 198 R CB 1.648 31.970 30.300 0.037 0.000 1.178 198 R HN 0.951 nan 8.270 nan 0.000 0.499 199 c N -1.275 117.342 118.600 0.027 0.000 2.994 199 c HA 0.539 5.107 4.570 -0.002 0.000 0.304 199 c C 1.001 175.104 174.090 0.021 0.000 1.273 199 c CA -1.045 55.299 56.329 0.024 0.000 1.537 199 c CB 1.848 44.369 42.510 0.019 0.000 2.001 199 c HN 0.887 nan 8.230 nan 0.000 0.471 200 R N 0.774 121.285 120.500 0.019 0.000 2.275 200 R HA 0.480 4.819 4.340 -0.002 0.000 0.199 200 R C 0.951 177.258 176.300 0.012 0.000 0.989 200 R CA 0.947 57.057 56.100 0.016 0.000 1.016 200 R CB 0.256 30.566 30.300 0.016 0.000 0.918 200 R HN 1.088 nan 8.270 nan 0.000 0.473 201 G N -1.015 107.792 108.800 0.012 0.000 2.349 201 G HA2 0.014 3.973 3.960 -0.002 0.000 0.294 201 G HA3 0.014 3.973 3.960 -0.002 0.000 0.294 201 G C -0.654 174.250 174.900 0.008 0.000 1.380 201 G CA -0.801 44.304 45.100 0.008 0.000 0.811 201 G HN -0.158 nan 8.290 nan 0.000 0.519 202 K N -0.660 119.743 120.400 0.005 0.000 2.362 202 K HA -0.022 4.297 4.320 -0.002 0.000 0.202 202 K C 0.730 177.333 176.600 0.005 0.000 1.045 202 K CA 1.173 57.463 56.287 0.004 0.000 0.936 202 K CB -0.203 32.298 32.500 0.002 0.000 0.747 202 K HN 0.346 nan 8.250 nan 0.000 0.467 203 S N -0.459 115.245 115.700 0.006 0.000 2.621 203 S HA 0.234 4.702 4.470 -0.002 0.000 0.302 203 S C -2.014 172.590 174.600 0.008 0.000 1.093 203 S CA -1.438 56.766 58.200 0.006 0.000 1.017 203 S CB 1.830 65.034 63.200 0.005 0.000 1.077 203 S HN -0.117 nan 8.310 nan 0.000 0.517 204 P HA -0.131 nan 4.420 nan 0.000 0.216 204 P C 1.602 178.908 177.300 0.009 0.000 1.150 204 P CA 1.214 64.319 63.100 0.008 0.000 0.837 204 P CB -0.035 31.669 31.700 0.006 0.000 0.786 205 S N -0.689 115.017 115.700 0.010 0.000 2.447 205 S HA -0.155 4.313 4.470 -0.002 0.000 0.233 205 S C 1.526 176.135 174.600 0.015 0.000 1.006 205 S CA 1.095 59.302 58.200 0.012 0.000 0.957 205 S CB -1.268 61.939 63.200 0.011 0.000 0.773 205 S HN 0.130 nan 8.310 nan 0.000 0.507 206 D N 0.817 121.226 120.400 0.014 0.000 2.392 206 D HA 0.017 4.656 4.640 -0.002 0.000 0.228 206 D C 0.060 176.372 176.300 0.021 0.000 1.003 206 D CA 0.290 54.300 54.000 0.017 0.000 0.917 206 D CB -0.480 40.329 40.800 0.014 0.000 0.890 206 D HN 0.397 nan 8.370 nan 0.000 0.532 207 c N 1.549 120.161 118.600 0.021 0.000 2.633 207 c HA 0.034 4.602 4.570 -0.002 0.000 0.415 207 c C 1.265 175.377 174.090 0.036 0.000 1.393 207 c CA -0.765 55.578 56.329 0.023 0.000 1.700 207 c CB -0.563 41.956 42.510 0.015 0.000 2.541 207 c HN 0.364 nan 8.230 nan 0.000 0.603 208 c N 3.823 122.449 118.600 0.043 0.000 2.536 208 c HA 0.213 4.781 4.570 -0.002 0.000 0.396 208 c C 0.740 174.884 174.090 0.090 0.000 1.279 208 c CA -0.375 55.996 56.329 0.070 0.000 2.148 208 c CB -0.792 41.757 42.510 0.065 0.000 2.584 208 c HN 0.950 nan 8.230 nan 0.000 0.579 209 H N 1.919 121.004 119.070 0.025 0.000 3.073 209 H HA -0.039 4.515 4.556 -0.003 0.000 0.340 209 H C 1.502 176.849 175.328 0.031 0.000 1.054 209 H CA 1.401 57.466 56.048 0.030 0.000 1.372 209 H CB 0.680 30.460 29.762 0.030 0.000 1.314 209 H HN 0.825 nan 8.280 nan 0.000 0.603 210 N N 1.928 120.608 118.700 -0.034 0.000 2.453 210 N HA -0.159 4.579 4.740 -0.002 0.000 0.183 210 N C 0.713 176.341 175.510 0.196 0.000 1.041 210 N CA 0.746 53.837 53.050 0.068 0.000 0.900 210 N CB 0.166 38.642 38.487 -0.020 0.000 0.961 210 N HN 0.545 nan 8.380 nan 0.000 0.443 211 Q N -0.172 119.878 119.800 0.417 0.000 2.415 211 Q HA 0.145 4.483 4.340 -0.002 0.000 0.206 211 Q C -0.364 175.698 176.000 0.104 0.000 0.946 211 Q CA 0.002 55.934 55.803 0.214 0.000 0.951 211 Q CB -0.225 28.599 28.738 0.144 0.000 1.026 211 Q HN 0.469 nan 8.270 nan 0.000 0.510 212 c N -0.539 118.127 118.600 0.109 0.000 2.366 212 c HA 0.691 5.259 4.570 -0.002 0.000 0.345 212 c C 1.608 175.720 174.090 0.038 0.000 1.209 212 c CA -0.433 55.930 56.329 0.056 0.000 2.050 212 c CB 1.249 43.796 42.510 0.063 0.000 2.359 212 c HN 0.462 nan 8.230 nan 0.000 0.527 213 A N 1.784 124.612 122.820 0.014 0.000 1.944 213 A HA 0.480 4.798 4.320 -0.002 0.000 0.207 213 A C 1.763 179.352 177.584 0.008 0.000 1.265 213 A CA 1.027 53.065 52.037 0.002 0.000 0.712 213 A CB -0.520 18.464 19.000 -0.026 0.000 0.915 213 A HN 1.001 nan 8.150 nan 0.000 0.470 214 A N -1.446 121.377 122.820 0.006 0.000 2.390 214 A HA 0.554 4.872 4.320 -0.002 0.000 0.232 214 A C 0.973 178.566 177.584 0.015 0.000 1.233 214 A CA 0.984 53.026 52.037 0.010 0.000 0.907 214 A CB -0.168 18.832 19.000 -0.000 0.000 0.967 214 A HN 1.927 nan 8.150 nan 0.000 0.512 215 G N -1.789 107.022 108.800 0.019 0.000 2.351 215 G HA2 0.389 4.348 3.960 -0.002 0.000 0.353 215 G HA3 0.389 4.348 3.960 -0.002 0.000 0.353 215 G C -0.638 174.274 174.900 0.020 0.000 1.358 215 G CA -0.253 44.859 45.100 0.020 0.000 0.995 215 G HN 1.524 nan 8.290 nan 0.000 0.611 216 c N -2.015 116.598 118.600 0.022 0.000 3.236 216 c HA 0.897 5.465 4.570 -0.002 0.000 0.312 216 c C 1.429 175.529 174.090 0.018 0.000 1.374 216 c CA 0.334 56.676 56.329 0.022 0.000 1.455 216 c CB 1.178 43.709 42.510 0.035 0.000 1.834 216 c HN 1.924 nan 8.230 nan 0.000 0.460 217 T N -2.099 112.464 114.554 0.015 0.000 3.069 217 T HA 0.554 4.902 4.350 -0.002 0.000 0.252 217 T C 0.638 175.348 174.700 0.016 0.000 1.053 217 T CA 0.828 62.935 62.100 0.013 0.000 0.964 217 T CB -0.332 68.541 68.868 0.008 0.000 1.005 217 T HN 2.011 nan 8.240 nan 0.000 0.532 218 G N 1.291 110.105 108.800 0.023 0.000 2.494 218 G HA2 0.488 4.446 3.960 -0.002 0.000 0.308 218 G HA3 0.488 4.446 3.960 -0.002 0.000 0.308 218 G C -2.704 172.221 174.900 0.041 0.000 1.263 218 G CA -0.613 44.504 45.100 0.028 0.000 0.840 218 G HN -0.106 nan 8.290 nan 0.000 0.479 219 P HA 0.209 nan 4.420 nan 0.000 0.239 219 P C 0.721 178.083 177.300 0.104 0.000 1.188 219 P CA 0.156 63.296 63.100 0.067 0.000 0.794 219 P CB 0.369 32.102 31.700 0.054 0.000 0.937 220 R N 0.727 121.272 120.500 0.074 0.000 2.574 220 R HA 0.146 4.485 4.340 -0.002 0.000 0.266 220 R C 1.358 177.653 176.300 -0.009 0.000 1.157 220 R CA -0.121 56.016 56.100 0.062 0.000 1.187 220 R CB 0.089 30.403 30.300 0.023 0.000 1.179 220 R HN 0.217 nan 8.270 nan 0.000 0.600 221 E N -0.383 119.719 120.200 -0.164 0.000 2.489 221 E HA -0.001 4.347 4.350 -0.002 0.000 0.193 221 E C 0.374 176.877 176.600 -0.163 0.000 1.057 221 E CA 0.321 56.492 56.400 -0.381 0.000 0.866 221 E CB 0.259 29.565 29.700 -0.657 0.000 0.916 221 E HN 0.469 nan 8.360 nan 0.000 0.500 222 S N 0.049 115.701 115.700 -0.080 0.000 2.559 222 S HA 0.134 4.603 4.470 -0.002 0.000 0.226 222 S C 0.409 174.996 174.600 -0.021 0.000 1.000 222 S CA -0.406 57.770 58.200 -0.041 0.000 0.948 222 S CB 0.291 63.477 63.200 -0.025 0.000 0.870 222 S HN -0.004 nan 8.310 nan 0.000 0.497 223 D N 1.252 121.642 120.400 -0.016 0.000 2.395 223 D HA 0.289 4.927 4.640 -0.002 0.000 0.213 223 D C -0.105 176.198 176.300 0.005 0.000 1.110 223 D CA -0.329 53.671 54.000 0.001 0.000 0.835 223 D CB 0.149 40.958 40.800 0.015 0.000 0.965 223 D HN 0.346 nan 8.370 nan 0.000 0.505 224 c N 0.831 119.428 118.600 -0.004 0.000 2.652 224 c HA 0.176 4.745 4.570 -0.002 0.000 0.412 224 c C 2.384 176.474 174.090 0.000 0.000 1.294 224 c CA -0.574 55.757 56.329 0.003 0.000 2.127 224 c CB 0.324 42.831 42.510 -0.005 0.000 2.691 224 c HN 0.305 nan 8.230 nan 0.000 0.615 225 L N 2.049 123.274 121.223 0.003 0.000 2.044 225 L HA 0.054 4.392 4.340 -0.002 0.000 0.205 225 L C 0.460 177.325 176.870 -0.008 0.000 1.075 225 L CA 1.476 56.314 54.840 -0.003 0.000 0.747 225 L CB -0.242 41.816 42.059 -0.003 0.000 0.903 225 L HN 0.516 nan 8.230 nan 0.000 0.435 226 V N -1.511 118.397 119.914 -0.009 0.000 2.971 226 V HA 0.228 4.346 4.120 -0.002 0.000 0.309 226 V C -0.794 175.289 176.094 -0.018 0.000 1.130 226 V CA -1.050 61.239 62.300 -0.018 0.000 0.964 226 V CB 2.277 34.084 31.823 -0.026 0.000 1.029 226 V HN 0.095 nan 8.190 nan 0.000 0.427 227 c N 3.749 122.334 118.600 -0.025 0.000 2.514 227 c HA 0.268 4.836 4.570 -0.002 0.000 0.392 227 c C 2.012 176.071 174.090 -0.051 0.000 1.294 227 c CA -0.223 56.092 56.329 -0.024 0.000 1.957 227 c CB 0.038 42.542 42.510 -0.011 0.000 2.541 227 c HN 0.986 nan 8.230 nan 0.000 0.569 228 R N 1.397 121.878 120.500 -0.032 0.000 2.096 228 R HA -0.099 4.239 4.340 -0.002 0.000 0.235 228 R C 1.538 177.768 176.300 -0.116 0.000 1.127 228 R CA 1.480 57.548 56.100 -0.053 0.000 0.968 228 R CB 0.139 30.437 30.300 -0.003 0.000 0.861 228 R HN 0.733 nan 8.270 nan 0.000 0.440 229 K N -1.848 118.478 120.400 -0.122 0.000 2.602 229 K HA 0.193 4.511 4.320 -0.002 0.000 0.245 229 K C 0.014 176.311 176.600 -0.504 0.000 1.288 229 K CA 0.185 56.286 56.287 -0.309 0.000 0.782 229 K CB 0.226 32.697 32.500 -0.048 0.000 1.694 229 K HN -0.123 nan 8.250 nan 0.000 0.384 230 F N 1.248 121.211 119.950 0.022 0.000 2.546 230 F HA 0.430 4.956 4.527 -0.002 0.000 0.320 230 F C 0.162 175.970 175.800 0.013 0.000 1.076 230 F CA -1.003 57.009 58.000 0.021 0.000 0.928 230 F CB 1.746 40.764 39.000 0.031 0.000 1.189 230 F HN -0.083 nan 8.300 nan 0.000 0.465 231 R N 2.309 122.926 120.500 0.194 0.000 2.288 231 R HA 0.281 4.620 4.340 -0.002 0.000 0.326 231 R C -1.795 174.582 176.300 0.127 0.000 0.959 231 R CA -0.386 55.781 56.100 0.112 0.000 0.834 231 R CB 0.933 31.270 30.300 0.062 0.000 1.157 231 R HN 0.694 nan 8.270 nan 0.000 0.470 232 D N 4.564 125.022 120.400 0.096 0.000 2.414 232 D HA 0.184 4.823 4.640 -0.002 0.000 0.232 232 D C -0.102 176.225 176.300 0.044 0.000 1.070 232 D CA 0.168 54.210 54.000 0.069 0.000 0.839 232 D CB 0.746 41.574 40.800 0.047 0.000 1.079 232 D HN 0.603 nan 8.370 nan 0.000 0.521 233 E N 2.348 122.574 120.200 0.043 0.000 3.130 233 E HA -0.284 4.064 4.350 -0.002 0.000 0.381 233 E C 0.035 176.650 176.600 0.026 0.000 1.488 233 E CA 1.493 57.911 56.400 0.030 0.000 1.362 233 E CB -1.612 28.099 29.700 0.019 0.000 1.656 233 E HN 0.487 nan 8.360 nan 0.000 0.504 234 A N 1.051 123.880 122.820 0.015 0.000 2.637 234 A HA 0.448 4.767 4.320 -0.002 0.000 0.293 234 A C -0.106 177.478 177.584 -0.001 0.000 1.216 234 A CA 0.570 52.612 52.037 0.008 0.000 0.956 234 A CB 0.320 19.323 19.000 0.006 0.000 1.174 234 A HN 0.205 nan 8.150 nan 0.000 0.525 235 T N -0.305 114.250 114.554 0.001 0.000 2.863 235 T HA 0.379 4.728 4.350 -0.002 0.000 0.285 235 T C -0.325 174.373 174.700 -0.004 0.000 1.009 235 T CA -0.394 61.697 62.100 -0.016 0.000 0.989 235 T CB 1.283 70.141 68.868 -0.016 0.000 1.004 235 T HN 0.233 nan 8.240 nan 0.000 0.455 236 c N 3.146 121.727 118.600 -0.031 0.000 2.527 236 c HA 0.572 5.140 4.570 -0.002 0.000 0.396 236 c C 0.686 174.784 174.090 0.013 0.000 1.289 236 c CA -0.452 55.873 56.329 -0.007 0.000 2.047 236 c CB -0.722 41.762 42.510 -0.044 0.000 2.568 236 c HN 0.789 nan 8.230 nan 0.000 0.573 237 K N 1.534 121.985 120.400 0.084 0.000 2.443 237 K HA 0.244 4.563 4.320 -0.002 0.000 0.251 237 K C 0.224 176.934 176.600 0.183 0.000 0.972 237 K CA -0.789 55.563 56.287 0.108 0.000 0.833 237 K CB 1.502 34.055 32.500 0.089 0.000 1.317 237 K HN 0.461 nan 8.250 nan 0.000 0.441 238 D N 0.648 121.148 120.400 0.165 0.000 2.084 238 D HA -0.077 4.562 4.640 -0.002 0.000 0.194 238 D C 0.099 176.584 176.300 0.308 0.000 0.990 238 D CA 1.578 55.697 54.000 0.198 0.000 0.826 238 D CB 0.330 41.211 40.800 0.135 0.000 0.971 238 D HN 0.641 nan 8.370 nan 0.000 0.453 239 T N -1.465 113.181 114.554 0.153 0.000 2.933 239 T HA 0.391 4.739 4.350 -0.002 0.000 0.305 239 T C -0.056 174.506 174.700 -0.230 0.000 1.092 239 T CA -0.928 61.136 62.100 -0.060 0.000 1.008 239 T CB 1.595 70.423 68.868 -0.068 0.000 1.102 239 T HN -0.002 nan 8.240 nan 0.000 0.469 240 c N 3.954 122.209 118.600 -0.576 0.000 2.550 240 c HA 0.159 4.728 4.570 -0.002 0.000 0.406 240 c C -1.611 172.351 174.090 -0.213 0.000 1.366 240 c CA -0.479 55.630 56.329 -0.366 0.000 1.712 240 c CB -0.871 41.367 42.510 -0.454 0.000 2.613 240 c HN 0.648 nan 8.230 nan 0.000 0.608 241 P HA 0.043 nan 4.420 nan 0.000 0.255 241 P C -2.366 174.848 177.300 -0.143 0.000 1.161 241 P CA -0.407 62.626 63.100 -0.112 0.000 0.768 241 P CB -0.510 31.140 31.700 -0.083 0.000 0.746 242 P HA 0.053 nan 4.420 nan 0.000 0.266 242 P C 1.193 178.401 177.300 -0.153 0.000 1.195 242 P CA 0.183 63.203 63.100 -0.134 0.000 0.768 242 P CB 0.446 32.089 31.700 -0.095 0.000 0.838 243 L N 1.077 122.187 121.223 -0.189 0.000 2.156 243 L HA -0.009 4.330 4.340 -0.002 0.000 0.208 243 L C 1.314 178.109 176.870 -0.126 0.000 1.095 243 L CA 1.263 55.973 54.840 -0.217 0.000 0.770 243 L CB -0.184 41.706 42.059 -0.281 0.000 0.914 243 L HN 0.423 nan 8.230 nan 0.000 0.439 244 M N 0.343 119.891 119.600 -0.087 0.000 2.363 244 M HA 0.414 4.892 4.480 -0.002 0.000 0.343 244 M C -0.701 175.575 176.300 -0.039 0.000 1.165 244 M CA -0.376 54.894 55.300 -0.050 0.000 1.046 244 M CB 2.257 34.840 32.600 -0.029 0.000 1.648 244 M HN -0.023 nan 8.290 nan 0.000 0.452 245 L N 1.142 122.352 121.223 -0.023 0.000 2.327 245 L HA 0.624 4.962 4.340 -0.002 0.000 0.258 245 L C -1.855 175.041 176.870 0.042 0.000 1.024 245 L CA -0.902 53.938 54.840 0.000 0.000 0.825 245 L CB 1.997 44.044 42.059 -0.019 0.000 1.386 245 L HN 0.662 nan 8.230 nan 0.000 0.417 246 Y N 2.252 122.509 120.300 -0.072 0.000 2.365 246 Y HA 0.289 4.837 4.550 -0.002 0.000 0.340 246 Y C -0.110 175.743 175.900 -0.079 0.000 1.016 246 Y CA 0.057 58.115 58.100 -0.070 0.000 1.196 246 Y CB 0.737 39.146 38.460 -0.085 0.000 1.167 246 Y HN 0.748 nan 8.280 nan 0.000 0.509 247 N N 7.723 126.136 118.700 -0.478 0.000 2.457 247 N HA 0.283 5.022 4.740 -0.002 0.000 0.250 247 N C -2.253 172.879 175.510 -0.629 0.000 0.982 247 N CA -2.079 50.736 53.050 -0.391 0.000 0.941 247 N CB 1.302 39.647 38.487 -0.236 0.000 1.120 247 N HN 0.371 nan 8.380 nan 0.000 0.505 248 P HA 0.007 nan 4.420 nan 0.000 0.239 248 P C 0.444 177.337 177.300 -0.677 0.000 1.184 248 P CA 0.792 63.547 63.100 -0.575 0.000 0.760 248 P CB 0.471 32.011 31.700 -0.267 0.000 0.884 249 T N -2.365 111.948 114.554 -0.402 0.000 2.978 249 T HA 0.007 4.355 4.350 -0.002 0.000 0.248 249 T C 1.547 176.209 174.700 -0.064 0.000 1.018 249 T CA 1.327 63.313 62.100 -0.189 0.000 1.026 249 T CB -0.169 68.632 68.868 -0.112 0.000 1.032 249 T HN 0.201 nan 8.240 nan 0.000 0.485 250 T N -1.560 112.924 114.554 -0.116 0.000 3.014 250 T HA 0.103 4.452 4.350 -0.002 0.000 0.250 250 T C 0.764 175.553 174.700 0.149 0.000 1.060 250 T CA 0.020 62.132 62.100 0.019 0.000 1.040 250 T CB -0.396 68.461 68.868 -0.018 0.000 0.971 250 T HN 0.322 nan 8.240 nan 0.000 0.497 251 Y N 2.101 122.245 120.300 -0.260 0.000 4.604 251 Y HA -0.270 4.278 4.550 -0.003 0.000 0.230 251 Y C 0.510 176.370 175.900 -0.067 0.000 1.066 251 Y CA 0.773 58.708 58.100 -0.274 0.000 1.990 251 Y CB -2.631 35.722 38.460 -0.177 0.000 1.619 251 Y HN 0.674 nan 8.280 nan 0.000 0.649 252 Q N -1.587 118.174 119.800 -0.065 0.000 2.892 252 Q HA 0.773 5.112 4.340 -0.002 0.000 0.307 252 Q C -0.326 175.612 176.000 -0.103 0.000 1.039 252 Q CA -1.491 54.321 55.803 0.015 0.000 0.792 252 Q CB 1.356 30.123 28.738 0.049 0.000 1.504 252 Q HN 0.026 nan 8.270 nan 0.000 0.487 253 M N 1.497 121.094 119.600 -0.004 0.000 2.180 253 M HA 0.385 4.863 4.480 -0.002 0.000 0.358 253 M C -0.940 175.342 176.300 -0.031 0.000 1.233 253 M CA -0.087 55.215 55.300 0.002 0.000 1.114 253 M CB 0.344 32.964 32.600 0.034 0.000 1.594 253 M HN 0.710 nan 8.290 nan 0.000 0.467 254 D N 1.352 121.726 120.400 -0.043 0.000 2.525 254 D HA 0.538 5.177 4.640 -0.002 0.000 0.249 254 D C -1.011 175.267 176.300 -0.037 0.000 1.072 254 D CA -0.520 53.454 54.000 -0.044 0.000 1.067 254 D CB 1.803 42.566 40.800 -0.062 0.000 1.282 254 D HN 0.286 nan 8.370 nan 0.000 0.587 255 V N 2.377 122.271 119.914 -0.034 0.000 2.572 255 V HA 0.164 4.283 4.120 -0.002 0.000 0.291 255 V C 0.299 176.369 176.094 -0.041 0.000 1.039 255 V CA -0.305 61.974 62.300 -0.035 0.000 1.055 255 V CB 0.604 32.412 31.823 -0.025 0.000 0.969 255 V HN 0.452 nan 8.190 nan 0.000 0.482 256 N N 6.918 125.586 118.700 -0.053 0.000 2.527 256 N HA 0.347 5.086 4.740 -0.002 0.000 0.236 256 N C -1.750 173.726 175.510 -0.056 0.000 0.999 256 N CA -2.222 50.794 53.050 -0.056 0.000 0.935 256 N CB 1.862 40.309 38.487 -0.066 0.000 1.132 256 N HN 0.227 nan 8.380 nan 0.000 0.511 257 P HA -0.039 nan 4.420 nan 0.000 0.220 257 P C 0.343 177.624 177.300 -0.031 0.000 1.148 257 P CA 1.018 64.101 63.100 -0.029 0.000 0.803 257 P CB 0.410 32.097 31.700 -0.021 0.000 0.782 258 E N -0.272 119.906 120.200 -0.037 0.000 2.476 258 E HA 0.112 4.461 4.350 -0.002 0.000 0.191 258 E C 0.909 177.475 176.600 -0.058 0.000 1.064 258 E CA -0.337 56.040 56.400 -0.037 0.000 0.866 258 E CB -0.217 29.463 29.700 -0.032 0.000 0.952 258 E HN 0.162 nan 8.360 nan 0.000 0.492 259 G N 1.381 110.131 108.800 -0.085 0.000 2.441 259 G HA2 0.068 4.027 3.960 -0.002 0.000 0.243 259 G HA3 0.068 4.027 3.960 -0.002 0.000 0.243 259 G C -0.315 174.488 174.900 -0.161 0.000 1.281 259 G CA -0.162 44.854 45.100 -0.140 0.000 0.854 259 G HN -0.010 nan 8.290 nan 0.000 0.560 260 K N 1.229 121.521 120.400 -0.179 0.000 2.324 260 K HA 0.310 4.629 4.320 -0.002 0.000 0.253 260 K C -0.721 175.754 176.600 -0.208 0.000 0.932 260 K CA -0.556 55.654 56.287 -0.128 0.000 0.799 260 K CB 1.832 34.302 32.500 -0.050 0.000 1.154 260 K HN 0.544 nan 8.250 nan 0.000 0.425 261 Y N 0.483 120.771 120.300 -0.019 0.000 2.183 261 Y HA 0.024 4.572 4.550 -0.003 0.000 0.380 261 Y C 1.153 177.067 175.900 0.022 0.000 1.308 261 Y CA 0.314 58.416 58.100 0.004 0.000 1.813 261 Y CB 0.543 39.018 38.460 0.026 0.000 1.584 261 Y HN 0.462 nan 8.280 nan 0.000 0.665 262 S N 0.707 116.578 115.700 0.285 0.000 2.779 262 S HA 0.452 4.920 4.470 -0.002 0.000 0.293 262 S C -1.701 173.141 174.600 0.404 0.000 1.150 262 S CA -0.599 57.755 58.200 0.257 0.000 1.057 262 S CB 0.065 63.363 63.200 0.163 0.000 1.021 262 S HN 0.444 nan 8.310 nan 0.000 0.485 263 F N 5.606 125.682 119.950 0.210 0.000 2.434 263 F HA 0.642 5.168 4.527 -0.002 0.000 0.367 263 F C 0.767 176.667 175.800 0.168 0.000 1.093 263 F CA 0.461 58.563 58.000 0.171 0.000 1.085 263 F CB 0.570 39.624 39.000 0.091 0.000 1.322 263 F HN 1.131 nan 8.300 nan 0.000 0.452 264 G N 3.942 112.681 108.800 -0.102 0.000 2.583 264 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.292 264 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.292 264 G C 0.600 175.504 174.900 0.006 0.000 1.203 264 G CA 0.219 45.231 45.100 -0.147 0.000 0.987 264 G HN 1.591 nan 8.290 nan 0.000 0.554 265 A N -0.194 122.583 122.820 -0.072 0.000 2.476 265 A HA 0.625 4.944 4.320 -0.002 0.000 0.263 265 A C 0.913 178.582 177.584 0.142 0.000 1.342 265 A CA 1.632 53.609 52.037 -0.099 0.000 0.926 265 A CB -0.220 18.662 19.000 -0.196 0.000 1.019 265 A HN 0.989 nan 8.150 nan 0.000 0.515 266 T N -0.482 114.211 114.554 0.232 0.000 2.918 266 T HA 0.415 4.764 4.350 -0.002 0.000 0.286 266 T C -0.568 174.324 174.700 0.319 0.000 1.026 266 T CA -0.224 62.030 62.100 0.257 0.000 1.031 266 T CB 1.103 70.098 68.868 0.211 0.000 1.046 266 T HN 0.241 nan 8.240 nan 0.000 0.479 267 c N 3.617 122.344 118.600 0.213 0.000 2.264 267 c HA 0.740 5.308 4.570 -0.002 0.000 0.324 267 c C 0.291 174.454 174.090 0.122 0.000 1.267 267 c CA -0.968 55.434 56.329 0.121 0.000 1.618 267 c CB -0.824 41.707 42.510 0.035 0.000 2.278 267 c HN 0.726 nan 8.230 nan 0.000 0.499 268 V N 2.176 122.173 119.914 0.138 0.000 2.815 268 V HA 0.560 4.679 4.120 -0.002 0.000 0.314 268 V C 0.643 176.799 176.094 0.103 0.000 1.064 268 V CA -0.886 61.475 62.300 0.100 0.000 0.952 268 V CB 1.500 33.356 31.823 0.055 0.000 1.020 268 V HN 0.889 nan 8.190 nan 0.000 0.439 269 K N 1.416 121.853 120.400 0.063 0.000 2.211 269 K HA 0.293 4.612 4.320 -0.002 0.000 0.203 269 K C 0.602 177.273 176.600 0.118 0.000 1.050 269 K CA 1.547 57.876 56.287 0.071 0.000 0.945 269 K CB -0.564 31.952 32.500 0.028 0.000 0.732 269 K HN 1.035 nan 8.250 nan 0.000 0.451 270 K N 0.483 120.914 120.400 0.052 0.000 2.625 270 K HA 0.351 4.669 4.320 -0.002 0.000 0.284 270 K C -1.432 175.051 176.600 -0.194 0.000 0.984 270 K CA -0.713 55.544 56.287 -0.051 0.000 0.865 270 K CB 0.626 33.087 32.500 -0.065 0.000 1.468 270 K HN 0.166 nan 8.250 nan 0.000 0.407 271 c N 3.399 121.818 118.600 -0.301 0.000 2.585 271 c HA 0.568 5.137 4.570 -0.002 0.000 0.406 271 c C -1.377 172.502 174.090 -0.352 0.000 1.312 271 c CA -0.494 55.641 56.329 -0.324 0.000 1.924 271 c CB -0.078 42.288 42.510 -0.240 0.000 2.578 271 c HN 0.818 nan 8.230 nan 0.000 0.580 272 P HA 0.463 nan 4.420 nan 0.000 0.293 272 P C 0.921 177.999 177.300 -0.371 0.000 1.298 272 P CA 0.192 62.947 63.100 -0.575 0.000 0.757 272 P CB 0.160 31.310 31.700 -0.917 0.000 1.262 273 R N 0.128 120.471 120.500 -0.261 0.000 3.412 273 R HA -0.278 4.061 4.340 -0.002 0.000 0.604 273 R C 0.938 177.247 176.300 0.015 0.000 0.243 273 R CA 2.411 58.458 56.100 -0.089 0.000 1.522 273 R CB -2.699 27.581 30.300 -0.035 0.000 0.726 273 R HN 0.756 nan 8.270 nan 0.000 0.542 274 N N 0.418 119.214 118.700 0.161 0.000 2.776 274 N HA 0.397 5.136 4.740 -0.002 0.000 0.245 274 N C -2.118 173.542 175.510 0.249 0.000 1.121 274 N CA -0.222 52.912 53.050 0.140 0.000 0.852 274 N CB 0.561 39.086 38.487 0.063 0.000 1.142 274 N HN 0.519 nan 8.380 nan 0.000 0.514 275 Y N 1.257 121.501 120.300 -0.093 0.000 2.338 275 Y HA 0.302 4.850 4.550 -0.002 0.000 0.333 275 Y C 0.482 176.319 175.900 -0.105 0.000 0.968 275 Y CA -1.001 57.045 58.100 -0.089 0.000 1.123 275 Y CB 1.460 39.844 38.460 -0.126 0.000 1.165 275 Y HN 0.167 nan 8.280 nan 0.000 0.452 276 V N 1.915 121.782 119.914 -0.079 0.000 3.036 276 V HA 0.806 4.925 4.120 -0.002 0.000 0.308 276 V C -0.401 175.662 176.094 -0.051 0.000 1.070 276 V CA -0.790 61.461 62.300 -0.082 0.000 1.056 276 V CB 1.246 33.004 31.823 -0.108 0.000 1.084 276 V HN 0.404 nan 8.190 nan 0.000 0.471 277 V N 1.880 121.764 119.914 -0.050 0.000 2.715 277 V HA 0.678 4.796 4.120 -0.002 0.000 0.310 277 V C 0.385 176.483 176.094 0.007 0.000 1.054 277 V CA -0.029 62.270 62.300 -0.002 0.000 0.928 277 V CB 1.772 33.596 31.823 0.002 0.000 1.007 277 V HN 1.220 nan 8.190 nan 0.000 0.437 278 T N -0.848 113.723 114.554 0.029 0.000 2.948 278 T HA 0.411 4.760 4.350 -0.002 0.000 0.285 278 T C 0.068 174.762 174.700 -0.010 0.000 1.019 278 T CA -0.624 61.448 62.100 -0.047 0.000 1.013 278 T CB 1.396 70.170 68.868 -0.158 0.000 1.117 278 T HN 0.714 nan 8.240 nan 0.000 0.533 279 D N -0.973 119.384 120.400 -0.072 0.000 2.323 279 D HA 0.043 4.681 4.640 -0.002 0.000 0.239 279 D C 0.713 177.110 176.300 0.161 0.000 1.129 279 D CA 0.051 54.065 54.000 0.023 0.000 0.865 279 D CB -0.302 40.509 40.800 0.019 0.000 0.913 279 D HN 0.531 nan 8.370 nan 0.000 0.517 280 H N 0.147 119.254 119.070 0.061 0.000 2.592 280 H HA 0.351 4.905 4.556 -0.003 0.000 0.265 280 H C 1.570 176.935 175.328 0.062 0.000 0.955 280 H CA 0.012 56.097 56.048 0.062 0.000 1.175 280 H CB 0.284 30.095 29.762 0.082 0.000 1.433 280 H HN 0.255 nan 8.280 nan 0.000 0.537 281 G N 1.360 110.266 108.800 0.177 0.000 2.341 281 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.278 281 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.278 281 G C -0.501 174.542 174.900 0.239 0.000 1.111 281 G CA 0.351 45.551 45.100 0.166 0.000 0.982 281 G HN 0.349 nan 8.290 nan 0.000 0.502 282 S N -1.122 114.727 115.700 0.248 0.000 2.526 282 S HA 0.653 5.121 4.470 -0.002 0.000 0.293 282 S C 0.264 175.009 174.600 0.242 0.000 1.092 282 S CA -0.669 57.689 58.200 0.263 0.000 0.980 282 S CB 2.108 65.452 63.200 0.240 0.000 1.048 282 S HN 0.655 nan 8.310 nan 0.000 0.483 283 c N 2.635 121.419 118.600 0.308 0.000 2.435 283 c HA 0.789 5.358 4.570 -0.002 0.000 0.375 283 c C 0.543 174.896 174.090 0.439 0.000 1.281 283 c CA -0.315 56.221 56.329 0.345 0.000 1.963 283 c CB -0.341 42.369 42.510 0.333 0.000 2.490 283 c HN 0.711 nan 8.230 nan 0.000 0.557 284 V N 3.023 123.037 119.914 0.167 0.000 3.188 284 V HA 0.721 4.839 4.120 -0.002 0.000 0.305 284 V C 0.779 176.447 176.094 -0.710 0.000 1.232 284 V CA -0.065 62.158 62.300 -0.127 0.000 1.043 284 V CB 2.034 33.841 31.823 -0.026 0.000 1.068 284 V HN 0.919 nan 8.190 nan 0.000 0.439 285 R N 1.762 121.879 120.500 -0.638 0.000 2.127 285 R HA 0.785 5.124 4.340 -0.002 0.000 0.217 285 R C 0.616 176.742 176.300 -0.289 0.000 1.074 285 R CA 1.445 57.165 56.100 -0.635 0.000 0.991 285 R CB -0.376 29.717 30.300 -0.344 0.000 0.895 285 R HN 2.011 nan 8.270 nan 0.000 0.450 286 A N -1.717 121.007 122.820 -0.161 0.000 2.589 286 A HA 0.552 4.870 4.320 -0.002 0.000 0.296 286 A C -0.522 177.064 177.584 0.005 0.000 1.062 286 A CA -0.502 51.513 52.037 -0.038 0.000 0.686 286 A CB 0.551 19.558 19.000 0.011 0.000 1.282 286 A HN 0.412 nan 8.150 nan 0.000 0.404 287 c N 0.867 119.516 118.600 0.081 0.000 2.705 287 c HA 0.544 5.113 4.570 -0.002 0.000 0.382 287 c C 1.724 175.858 174.090 0.074 0.000 1.322 287 c CA 0.536 56.919 56.329 0.089 0.000 2.290 287 c CB -0.002 42.613 42.510 0.175 0.000 2.650 287 c HN 1.137 nan 8.230 nan 0.000 0.695 288 G N 0.367 109.193 108.800 0.043 0.000 2.667 288 G HA2 0.422 4.381 3.960 -0.002 0.000 0.250 288 G HA3 0.422 4.381 3.960 -0.002 0.000 0.250 288 G C 0.895 175.805 174.900 0.017 0.000 1.212 288 G CA 0.231 45.345 45.100 0.022 0.000 0.874 288 G HN 1.111 nan 8.290 nan 0.000 0.561 289 A N -0.704 122.111 122.820 -0.008 0.000 1.969 289 A HA 0.195 4.513 4.320 -0.002 0.000 0.218 289 A C 2.031 179.605 177.584 -0.016 0.000 1.169 289 A CA 2.057 54.075 52.037 -0.032 0.000 0.635 289 A CB -0.727 18.252 19.000 -0.035 0.000 0.810 289 A HN 0.903 nan 8.150 nan 0.000 0.445 290 D N -0.736 119.665 120.400 0.002 0.000 2.325 290 D HA 0.491 5.129 4.640 -0.002 0.000 0.234 290 D C 0.399 176.714 176.300 0.024 0.000 1.122 290 D CA 0.764 54.769 54.000 0.008 0.000 0.850 290 D CB -0.109 40.695 40.800 0.007 0.000 0.921 290 D HN 0.347 nan 8.370 nan 0.000 0.513 291 S N -1.851 113.877 115.700 0.046 0.000 2.588 291 S HA 0.673 5.141 4.470 -0.002 0.000 0.269 291 S C -1.923 172.791 174.600 0.190 0.000 1.157 291 S CA -0.598 57.650 58.200 0.079 0.000 0.824 291 S CB 1.973 65.203 63.200 0.049 0.000 1.126 291 S HN 0.392 nan 8.310 nan 0.000 0.464 292 Y N 0.227 120.513 120.300 -0.023 0.000 2.215 292 Y HA 0.440 4.989 4.550 -0.002 0.000 0.314 292 Y C -0.658 175.229 175.900 -0.022 0.000 1.246 292 Y CA -0.042 58.044 58.100 -0.025 0.000 1.321 292 Y CB -0.043 38.404 38.460 -0.022 0.000 1.293 292 Y HN 0.905 nan 8.280 nan 0.000 0.387 293 E N 2.553 122.590 120.200 -0.271 0.000 2.355 293 E HA 1.013 5.361 4.350 -0.002 0.000 0.261 293 E C -0.843 175.579 176.600 -0.297 0.000 0.943 293 E CA -0.197 56.071 56.400 -0.220 0.000 0.806 293 E CB 1.586 31.219 29.700 -0.112 0.000 1.286 293 E HN 1.154 nan 8.360 nan 0.000 0.424 294 M N -0.595 118.896 119.600 -0.182 0.000 2.739 294 M HA 0.898 5.377 4.480 -0.002 0.000 0.284 294 M C 0.764 177.004 176.300 -0.100 0.000 1.103 294 M CA -0.053 55.156 55.300 -0.153 0.000 0.809 294 M CB -0.230 32.299 32.600 -0.119 0.000 1.708 294 M HN 1.506 nan 8.290 nan 0.000 0.481 295 E N 1.599 121.751 120.200 -0.080 0.000 2.406 295 E HA 0.403 4.751 4.350 -0.002 0.000 0.258 295 E C -0.293 176.281 176.600 -0.042 0.000 1.043 295 E CA 0.175 56.540 56.400 -0.058 0.000 0.929 295 E CB -0.193 29.477 29.700 -0.050 0.000 0.969 295 E HN 0.688 nan 8.360 nan 0.000 0.462 296 E N 2.560 122.740 120.200 -0.034 0.000 2.683 296 E HA 0.417 4.765 4.350 -0.002 0.000 0.224 296 E C -0.385 176.208 176.600 -0.011 0.000 1.046 296 E CA 0.716 57.103 56.400 -0.021 0.000 0.811 296 E CB -0.516 29.173 29.700 -0.018 0.000 1.296 296 E HN 0.971 nan 8.360 nan 0.000 0.421 297 D N 1.958 122.351 120.400 -0.012 0.000 4.465 297 D HA -0.059 4.580 4.640 -0.002 0.000 0.244 297 D C 0.877 177.172 176.300 -0.007 0.000 1.062 297 D CA 1.044 55.040 54.000 -0.007 0.000 1.227 297 D CB -1.869 38.932 40.800 0.000 0.000 0.829 297 D HN 0.961 nan 8.370 nan 0.000 0.402 298 G N -0.551 108.241 108.800 -0.015 0.000 3.879 298 G HA2 -0.017 3.942 3.960 -0.002 0.000 0.318 298 G HA3 -0.017 3.942 3.960 -0.002 0.000 0.318 298 G C 1.197 176.078 174.900 -0.032 0.000 1.344 298 G CA 2.006 47.094 45.100 -0.019 0.000 1.024 298 G HN 2.349 nan 8.290 nan 0.000 0.681 299 V N 1.695 121.590 119.914 -0.032 0.000 2.540 299 V HA 0.416 4.535 4.120 -0.002 0.000 0.297 299 V C 1.070 177.129 176.094 -0.058 0.000 1.024 299 V CA 0.074 62.337 62.300 -0.062 0.000 1.105 299 V CB 0.545 32.323 31.823 -0.076 0.000 0.938 299 V HN 0.650 nan 8.190 nan 0.000 0.482 300 R N 3.787 124.242 120.500 -0.076 0.000 2.399 300 R HA 0.298 4.637 4.340 -0.002 0.000 0.324 300 R C -0.199 176.054 176.300 -0.077 0.000 1.030 300 R CA -0.144 55.908 56.100 -0.080 0.000 0.984 300 R CB 0.212 30.457 30.300 -0.092 0.000 0.961 300 R HN 0.701 nan 8.270 nan 0.000 0.433 301 K N 1.879 122.240 120.400 -0.064 0.000 2.123 301 K HA 0.344 4.662 4.320 -0.002 0.000 0.248 301 K C -0.702 175.856 176.600 -0.070 0.000 0.969 301 K CA -0.641 55.618 56.287 -0.047 0.000 0.882 301 K CB 1.587 34.077 32.500 -0.017 0.000 1.080 301 K HN 0.559 nan 8.250 nan 0.000 0.441 302 c N 2.437 121.003 118.600 -0.057 0.000 2.307 302 c HA 0.659 5.228 4.570 -0.002 0.000 0.340 302 c C 0.320 174.386 174.090 -0.040 0.000 1.275 302 c CA -0.504 55.789 56.329 -0.060 0.000 1.811 302 c CB 0.229 42.709 42.510 -0.050 0.000 2.372 302 c HN 0.826 nan 8.230 nan 0.000 0.531 303 K N 2.329 122.710 120.400 -0.033 0.000 2.395 303 K HA 0.776 5.095 4.320 -0.002 0.000 0.245 303 K C -0.976 175.626 176.600 0.004 0.000 1.017 303 K CA -0.773 55.505 56.287 -0.014 0.000 0.852 303 K CB 0.821 33.312 32.500 -0.016 0.000 1.311 303 K HN 0.618 nan 8.250 nan 0.000 0.452 304 K N 1.014 121.419 120.400 0.008 0.000 2.258 304 K HA 0.353 4.672 4.320 -0.002 0.000 0.284 304 K C -0.185 176.428 176.600 0.022 0.000 1.051 304 K CA -0.309 55.988 56.287 0.017 0.000 0.923 304 K CB 0.239 32.746 32.500 0.013 0.000 1.046 304 K HN 0.780 nan 8.250 nan 0.000 0.474 305 c N 2.238 120.857 118.600 0.033 0.000 2.629 305 c HA 0.244 4.812 4.570 -0.002 0.000 0.410 305 c C 1.214 175.314 174.090 0.017 0.000 1.339 305 c CA -0.700 55.645 56.329 0.028 0.000 1.810 305 c CB 0.317 42.849 42.510 0.036 0.000 2.549 305 c HN 0.882 nan 8.230 nan 0.000 0.589 306 E N 1.364 121.571 120.200 0.011 0.000 2.460 306 E HA 0.135 4.483 4.350 -0.002 0.000 0.200 306 E C 1.071 177.672 176.600 0.001 0.000 1.011 306 E CA 0.078 56.481 56.400 0.005 0.000 0.912 306 E CB 0.707 30.409 29.700 0.003 0.000 0.953 306 E HN 0.979 nan 8.360 nan 0.000 0.494 307 G N 2.063 110.864 108.800 0.003 0.000 2.425 307 G HA2 0.375 4.333 3.960 -0.002 0.000 0.302 307 G HA3 0.375 4.333 3.960 -0.002 0.000 0.302 307 G C -2.642 172.260 174.900 0.003 0.000 1.159 307 G CA -1.086 44.014 45.100 -0.000 0.000 0.865 307 G HN -0.044 nan 8.290 nan 0.000 0.515 308 P HA 0.133 nan 4.420 nan 0.000 0.267 308 P C 0.299 177.599 177.300 0.001 0.000 1.209 308 P CA -0.455 62.644 63.100 -0.002 0.000 0.763 308 P CB 0.348 32.045 31.700 -0.006 0.000 0.816 309 c N 4.753 123.353 118.600 0.000 0.000 2.211 309 c HA -0.094 4.474 4.570 -0.002 0.000 0.393 309 c C 1.593 175.683 174.090 -0.000 0.000 1.531 309 c CA 0.043 56.374 56.329 0.004 0.000 1.465 309 c CB -1.427 41.079 42.510 -0.007 0.000 2.534 309 c HN 0.606 nan 8.230 nan 0.000 0.592 310 R N 3.234 123.741 120.500 0.011 0.000 2.730 310 R HA -0.073 4.266 4.340 -0.002 0.000 0.327 310 R C 0.020 176.321 176.300 0.001 0.000 0.825 310 R CA 0.985 57.092 56.100 0.012 0.000 1.130 310 R CB 0.091 30.404 30.300 0.021 0.000 0.883 310 R HN 0.722 nan 8.270 nan 0.000 0.407 311 K N 4.298 124.699 120.400 0.003 0.000 2.394 311 K HA 0.231 4.549 4.320 -0.002 0.000 0.260 311 K C -1.186 175.418 176.600 0.006 0.000 0.967 311 K CA -0.726 55.557 56.287 -0.006 0.000 0.855 311 K CB 1.641 34.133 32.500 -0.013 0.000 1.101 311 K HN 0.317 nan 8.250 nan 0.000 0.433 312 V N 4.768 124.681 119.914 -0.002 0.000 2.432 312 V HA 0.217 4.336 4.120 -0.002 0.000 0.271 312 V C -0.287 175.799 176.094 -0.013 0.000 1.046 312 V CA -0.546 61.757 62.300 0.005 0.000 0.945 312 V CB 0.967 32.792 31.823 0.004 0.000 0.992 312 V HN 0.859 nan 8.190 nan 0.000 0.471 313 c N 5.300 123.903 118.600 0.005 0.000 2.507 313 c HA 0.411 4.979 4.570 -0.002 0.000 0.319 313 c C 1.582 175.674 174.090 0.004 0.000 1.208 313 c CA -0.835 55.470 56.329 -0.041 0.000 1.619 313 c CB 1.450 43.954 42.510 -0.009 0.000 2.230 313 c HN 0.994 nan 8.230 nan 0.000 0.492 314 N N 1.436 120.098 118.700 -0.064 0.000 2.003 314 N HA 0.116 4.855 4.740 -0.002 0.000 0.198 314 N C 0.756 176.318 175.510 0.086 0.000 1.073 314 N CA 2.157 55.202 53.050 -0.009 0.000 0.875 314 N CB -0.627 37.826 38.487 -0.056 0.000 1.074 314 N HN 1.228 nan 8.380 nan 0.000 0.435 315 G N -1.015 107.912 108.800 0.211 0.000 2.525 315 G HA2 -0.059 3.899 3.960 -0.002 0.000 0.685 315 G HA3 -0.059 3.899 3.960 -0.002 0.000 0.685 315 G C -1.078 173.848 174.900 0.043 0.000 1.285 315 G CA -0.774 44.428 45.100 0.171 0.000 0.849 315 G HN 0.241 nan 8.290 nan 0.000 0.653 316 I N 2.341 122.867 120.570 -0.073 0.000 2.587 316 I HA 0.432 4.600 4.170 -0.002 0.000 0.284 316 I C 1.639 177.595 176.117 -0.269 0.000 1.134 316 I CA 2.469 63.657 61.300 -0.188 0.000 1.410 316 I CB 0.743 38.555 38.000 -0.313 0.000 1.392 316 I HN 2.034 nan 8.210 nan 0.000 0.545 317 G N 5.792 114.499 108.800 -0.155 0.000 2.659 317 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.202 317 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.202 317 G C 0.199 175.064 174.900 -0.058 0.000 1.186 317 G CA -0.060 44.971 45.100 -0.114 0.000 0.783 317 G HN 0.722 nan 8.290 nan 0.000 0.521 318 I N -0.173 120.364 120.570 -0.055 0.000 2.783 318 I HA 0.815 4.984 4.170 -0.002 0.000 0.312 318 I C 1.365 177.464 176.117 -0.029 0.000 0.988 318 I CA 0.437 61.717 61.300 -0.033 0.000 1.182 318 I CB 1.445 39.428 38.000 -0.029 0.000 1.368 318 I HN 1.964 nan 8.210 nan 0.000 0.511 319 G N 2.226 111.010 108.800 -0.026 0.000 2.574 319 G HA2 -0.334 3.624 3.960 -0.002 0.000 0.286 319 G HA3 -0.334 3.624 3.960 -0.002 0.000 0.286 319 G C 0.709 175.585 174.900 -0.040 0.000 1.212 319 G CA 1.415 46.496 45.100 -0.031 0.000 0.979 319 G HN 1.321 nan 8.290 nan 0.000 0.557 320 E N -1.104 119.062 120.200 -0.055 0.000 2.204 320 E HA 0.325 4.673 4.350 -0.002 0.000 0.194 320 E C 2.958 179.509 176.600 -0.082 0.000 0.989 320 E CA 2.281 58.637 56.400 -0.074 0.000 0.824 320 E CB -0.604 29.038 29.700 -0.097 0.000 0.756 320 E HN 2.198 nan 8.360 nan 0.000 0.477 321 F N 0.884 120.795 119.950 -0.063 0.000 2.663 321 F HA 0.653 5.179 4.527 -0.002 0.000 0.299 321 F C 1.474 177.254 175.800 -0.033 0.000 1.143 321 F CA 0.323 58.299 58.000 -0.041 0.000 1.387 321 F CB -1.538 37.475 39.000 0.021 0.000 1.019 321 F HN 0.524 nan 8.300 nan 0.000 0.523 322 K N -0.009 120.370 120.400 -0.034 0.000 2.380 322 K HA 0.417 4.736 4.320 -0.002 0.000 0.267 322 K C 0.746 177.337 176.600 -0.015 0.000 0.990 322 K CA 0.417 56.690 56.287 -0.024 0.000 0.946 322 K CB -1.345 31.144 32.500 -0.018 0.000 0.937 322 K HN 2.018 nan 8.250 nan 0.000 0.491 323 D N -0.129 120.269 120.400 -0.003 0.000 2.751 323 D HA -0.110 4.528 4.640 -0.002 0.000 0.233 323 D C 0.155 176.465 176.300 0.017 0.000 1.149 323 D CA 1.325 55.335 54.000 0.016 0.000 0.682 323 D CB -1.935 38.882 40.800 0.029 0.000 1.068 323 D HN 0.816 nan 8.370 nan 0.000 0.429 324 S N -1.440 114.258 115.700 -0.003 0.000 2.472 324 S HA 0.704 5.173 4.470 -0.002 0.000 0.303 324 S C 1.482 176.080 174.600 -0.003 0.000 1.099 324 S CA -0.539 57.661 58.200 -0.001 0.000 1.077 324 S CB 1.769 64.960 63.200 -0.014 0.000 1.031 324 S HN 0.432 nan 8.310 nan 0.000 0.487 325 L N 1.924 123.166 121.223 0.031 0.000 2.068 325 L HA 0.073 4.411 4.340 -0.002 0.000 0.204 325 L C 1.236 178.155 176.870 0.081 0.000 1.076 325 L CA 0.666 55.548 54.840 0.070 0.000 0.753 325 L CB -0.158 41.951 42.059 0.084 0.000 0.910 325 L HN 0.743 nan 8.230 nan 0.000 0.439 326 S N -1.892 113.830 115.700 0.037 0.000 2.752 326 S HA 0.404 4.873 4.470 -0.002 0.000 0.284 326 S C -0.616 173.971 174.600 -0.021 0.000 1.189 326 S CA -0.910 57.312 58.200 0.035 0.000 0.835 326 S CB 1.054 64.293 63.200 0.066 0.000 1.192 326 S HN -0.081 nan 8.310 nan 0.000 0.506 327 I N 2.882 123.427 120.570 -0.042 0.000 2.752 327 I HA 0.187 4.356 4.170 -0.002 0.000 0.289 327 I C 0.538 176.594 176.117 -0.102 0.000 1.197 327 I CA 0.753 62.004 61.300 -0.081 0.000 1.432 327 I CB -0.107 37.829 38.000 -0.107 0.000 1.359 327 I HN 0.528 nan 8.210 nan 0.000 0.571 328 N N 3.793 122.455 118.700 -0.064 0.000 3.038 328 N HA 0.479 5.217 4.740 -0.002 0.000 0.307 328 N C 0.558 176.042 175.510 -0.043 0.000 1.441 328 N CA -0.315 52.692 53.050 -0.072 0.000 0.772 328 N CB 1.246 39.715 38.487 -0.031 0.000 1.651 328 N HN 0.493 nan 8.380 nan 0.000 0.593 329 A N -0.244 122.556 122.820 -0.034 0.000 1.968 329 A HA -0.050 4.268 4.320 -0.002 0.000 0.217 329 A C 1.599 179.199 177.584 0.028 0.000 1.169 329 A CA 1.647 53.682 52.037 -0.004 0.000 0.638 329 A CB -0.756 18.242 19.000 -0.003 0.000 0.812 329 A HN 0.664 nan 8.150 nan 0.000 0.446 330 T N -0.253 114.317 114.554 0.028 0.000 3.055 330 T HA -0.019 4.329 4.350 -0.002 0.000 0.265 330 T C 1.695 176.443 174.700 0.081 0.000 1.111 330 T CA 0.892 63.019 62.100 0.046 0.000 1.118 330 T CB -0.155 68.725 68.868 0.020 0.000 0.909 330 T HN 0.496 nan 8.240 nan 0.000 0.501 331 N N 0.867 119.619 118.700 0.087 0.000 2.428 331 N HA 0.205 4.944 4.740 -0.002 0.000 0.181 331 N C 1.695 177.376 175.510 0.285 0.000 1.028 331 N CA 0.376 53.511 53.050 0.141 0.000 0.877 331 N CB 0.135 38.679 38.487 0.096 0.000 1.064 331 N HN 0.268 nan 8.380 nan 0.000 0.434 332 I N 1.438 122.127 120.570 0.198 0.000 2.830 332 I HA -0.133 4.035 4.170 -0.002 0.000 0.263 332 I C 1.830 178.094 176.117 0.245 0.000 1.230 332 I CA 0.725 62.147 61.300 0.203 0.000 1.480 332 I CB 0.131 38.164 38.000 0.055 0.000 1.095 332 I HN 0.050 nan 8.210 nan 0.000 0.455 333 K N -0.169 120.350 120.400 0.198 0.000 2.057 333 K HA -0.158 4.160 4.320 -0.002 0.000 0.206 333 K C 1.582 178.226 176.600 0.072 0.000 1.050 333 K CA 1.025 57.367 56.287 0.092 0.000 0.935 333 K CB -0.182 32.317 32.500 -0.002 0.000 0.715 333 K HN 0.454 nan 8.250 nan 0.000 0.439 334 H N -1.176 117.929 119.070 0.059 0.000 2.567 334 H HA -0.083 4.472 4.556 -0.002 0.000 0.281 334 H C -0.110 175.021 175.328 -0.328 0.000 1.055 334 H CA 0.744 56.716 56.048 -0.126 0.000 1.185 334 H CB -0.062 29.581 29.762 -0.198 0.000 1.325 334 H HN 0.130 nan 8.280 nan 0.000 0.622 335 F N -0.148 119.837 119.950 0.059 0.000 2.790 335 F HA 0.182 4.707 4.527 -0.003 0.000 0.371 335 F C 1.288 177.090 175.800 0.004 0.000 1.293 335 F CA -0.575 57.446 58.000 0.035 0.000 1.205 335 F CB 0.547 39.573 39.000 0.042 0.000 1.047 335 F HN -0.143 nan 8.300 nan 0.000 0.510 336 K N 0.504 120.956 120.400 0.087 0.000 1.975 336 K HA -0.028 4.291 4.320 -0.002 0.000 0.217 336 K C 0.479 177.100 176.600 0.035 0.000 1.037 336 K CA 1.249 57.562 56.287 0.043 0.000 0.971 336 K CB -0.517 31.978 32.500 -0.009 0.000 0.749 336 K HN 0.255 nan 8.250 nan 0.000 0.444 337 N N 0.474 119.179 118.700 0.008 0.000 2.484 337 N HA 0.065 4.804 4.740 -0.002 0.000 0.245 337 N C -0.884 174.637 175.510 0.017 0.000 1.184 337 N CA -0.292 52.760 53.050 0.004 0.000 0.884 337 N CB -0.090 38.387 38.487 -0.017 0.000 1.182 337 N HN 0.088 nan 8.380 nan 0.000 0.493 338 c N 0.260 118.892 118.600 0.053 0.000 2.347 338 c HA 0.272 4.841 4.570 -0.002 0.000 0.353 338 c C 1.873 176.011 174.090 0.080 0.000 1.273 338 c CA -0.577 55.798 56.329 0.076 0.000 1.861 338 c CB 0.283 42.880 42.510 0.144 0.000 2.420 338 c HN 0.549 nan 8.230 nan 0.000 0.542 339 T N -1.625 112.966 114.554 0.061 0.000 2.985 339 T HA 0.183 4.532 4.350 -0.002 0.000 0.254 339 T C 0.356 175.094 174.700 0.063 0.000 1.021 339 T CA 0.197 62.328 62.100 0.052 0.000 0.957 339 T CB 0.106 68.993 68.868 0.031 0.000 1.047 339 T HN 0.737 nan 8.240 nan 0.000 0.511 340 S N 1.096 116.841 115.700 0.074 0.000 2.546 340 S HA 0.660 5.128 4.470 -0.002 0.000 0.272 340 S C -1.493 173.165 174.600 0.097 0.000 1.140 340 S CA -1.012 57.233 58.200 0.075 0.000 0.920 340 S CB 1.427 64.657 63.200 0.050 0.000 1.083 340 S HN 0.198 nan 8.310 nan 0.000 0.476 341 I N 3.466 124.096 120.570 0.101 0.000 2.330 341 I HA 0.339 4.507 4.170 -0.002 0.000 0.289 341 I C 0.579 176.734 176.117 0.064 0.000 1.001 341 I CA -0.339 61.031 61.300 0.117 0.000 1.193 341 I CB 1.223 39.295 38.000 0.120 0.000 1.345 341 I HN 0.812 nan 8.210 nan 0.000 0.461 342 S N 5.355 121.087 115.700 0.054 0.000 3.965 342 S HA 0.622 5.090 4.470 -0.002 0.000 0.195 342 S C 0.356 174.959 174.600 0.005 0.000 1.449 342 S CA 0.181 58.395 58.200 0.024 0.000 0.965 342 S CB -0.680 62.530 63.200 0.016 0.000 1.459 342 S HN 1.065 nan 8.310 nan 0.000 0.476 343 G N 2.084 110.876 108.800 -0.014 0.000 2.332 343 G HA2 0.048 4.006 3.960 -0.002 0.000 0.265 343 G HA3 0.048 4.006 3.960 -0.002 0.000 0.265 343 G C -1.947 172.868 174.900 -0.142 0.000 1.329 343 G CA -0.873 44.185 45.100 -0.070 0.000 0.949 343 G HN 0.411 nan 8.290 nan 0.000 0.476 344 D N -0.400 119.836 120.400 -0.274 0.000 2.387 344 D HA 0.594 5.233 4.640 -0.002 0.000 0.251 344 D C -0.538 175.622 176.300 -0.233 0.000 1.141 344 D CA 0.045 53.767 54.000 -0.463 0.000 0.987 344 D CB 2.117 42.381 40.800 -0.893 0.000 1.116 344 D HN 0.258 nan 8.370 nan 0.000 0.491 345 L N 1.091 122.234 121.223 -0.134 0.000 2.406 345 L HA 0.213 4.551 4.340 -0.002 0.000 0.270 345 L C -0.883 176.123 176.870 0.226 0.000 0.982 345 L CA -0.351 54.492 54.840 0.006 0.000 0.843 345 L CB 1.123 43.191 42.059 0.015 0.000 1.225 345 L HN 0.318 nan 8.230 nan 0.000 0.412 346 H N 5.311 124.377 119.070 -0.006 0.000 2.459 346 H HA 0.585 5.139 4.556 -0.003 0.000 0.332 346 H C -0.815 174.558 175.328 0.075 0.000 1.094 346 H CA -0.828 55.260 56.048 0.067 0.000 1.224 346 H CB 2.064 31.866 29.762 0.067 0.000 1.449 346 H HN 0.399 nan 8.280 nan 0.000 0.484 347 I N 5.186 125.895 120.570 0.232 0.000 2.411 347 I HA 0.213 4.382 4.170 -0.002 0.000 0.284 347 I C -0.780 175.458 176.117 0.202 0.000 1.012 347 I CA -0.185 61.250 61.300 0.225 0.000 1.119 347 I CB 1.210 39.445 38.000 0.393 0.000 1.261 347 I HN 0.272 nan 8.210 nan 0.000 0.448 348 L N 6.969 128.268 121.223 0.127 0.000 2.354 348 L HA 0.519 4.858 4.340 -0.002 0.000 0.269 348 L C -1.735 175.204 176.870 0.116 0.000 1.005 348 L CA -1.829 53.083 54.840 0.120 0.000 0.819 348 L CB 1.625 43.741 42.059 0.094 0.000 1.311 348 L HN 0.208 nan 8.230 nan 0.000 0.423 349 P HA -0.246 nan 4.420 nan 0.000 0.222 349 P C 1.647 179.011 177.300 0.106 0.000 1.154 349 P CA 1.500 64.707 63.100 0.178 0.000 0.874 349 P CB -0.010 31.766 31.700 0.127 0.000 0.787 350 V N -3.237 116.704 119.914 0.046 0.000 2.720 350 V HA -0.208 3.910 4.120 -0.002 0.000 0.256 350 V C 2.143 178.200 176.094 -0.061 0.000 1.082 350 V CA 1.618 63.925 62.300 0.012 0.000 1.101 350 V CB -2.065 29.769 31.823 0.019 0.000 0.693 350 V HN 0.074 nan 8.190 nan 0.000 0.479 351 A N 1.190 123.902 122.820 -0.180 0.000 1.841 351 A HA -0.076 4.243 4.320 -0.002 0.000 0.216 351 A C 1.888 179.245 177.584 -0.378 0.000 1.199 351 A CA 2.114 53.904 52.037 -0.412 0.000 0.621 351 A CB -1.008 17.497 19.000 -0.825 0.000 0.835 351 A HN 0.589 nan 8.150 nan 0.000 0.445 352 F N 0.027 119.990 119.950 0.021 0.000 2.811 352 F HA 0.080 4.605 4.527 -0.003 0.000 0.301 352 F C 2.287 178.094 175.800 0.011 0.000 1.151 352 F CA 0.936 58.939 58.000 0.004 0.000 1.412 352 F CB 0.013 39.011 39.000 -0.003 0.000 1.113 352 F HN 0.364 nan 8.300 nan 0.000 0.579 353 R N 0.268 120.845 120.500 0.129 0.000 2.250 353 R HA 0.508 4.847 4.340 -0.002 0.000 0.194 353 R C 0.883 177.211 176.300 0.047 0.000 0.927 353 R CA 0.573 56.726 56.100 0.088 0.000 1.052 353 R CB -0.084 30.266 30.300 0.083 0.000 1.055 353 R HN 0.037 nan 8.270 nan 0.000 0.537 354 G N 0.684 109.496 108.800 0.021 0.000 2.712 354 G HA2 -0.126 3.832 3.960 -0.002 0.000 0.686 354 G HA3 -0.126 3.832 3.960 -0.002 0.000 0.686 354 G C -1.759 173.150 174.900 0.016 0.000 1.321 354 G CA -0.137 44.969 45.100 0.010 0.000 0.813 354 G HN 0.313 nan 8.290 nan 0.000 0.599 355 D N -0.482 119.924 120.400 0.009 0.000 2.757 355 D HA 0.629 5.267 4.640 -0.002 0.000 0.249 355 D C 1.202 177.493 176.300 -0.015 0.000 1.168 355 D CA 0.385 54.393 54.000 0.014 0.000 0.870 355 D CB 1.884 42.702 40.800 0.030 0.000 1.411 355 D HN 0.463 nan 8.370 nan 0.000 0.525 356 S N 3.168 118.864 115.700 -0.007 0.000 2.368 356 S HA -0.169 4.300 4.470 -0.002 0.000 0.224 356 S C 1.804 176.292 174.600 -0.188 0.000 1.029 356 S CA 0.785 58.955 58.200 -0.051 0.000 0.988 356 S CB -0.319 62.885 63.200 0.006 0.000 0.838 356 S HN 0.527 nan 8.310 nan 0.000 0.462 357 F N 2.933 122.742 119.950 -0.235 0.000 2.051 357 F HA -0.053 4.473 4.527 -0.002 0.000 0.296 357 F C 2.413 177.965 175.800 -0.414 0.000 1.122 357 F CA 2.169 60.002 58.000 -0.277 0.000 1.201 357 F CB -1.020 37.905 39.000 -0.125 0.000 0.978 357 F HN 0.367 nan 8.300 nan 0.000 0.472 358 T N -2.308 112.059 114.554 -0.312 0.000 3.272 358 T HA 0.049 4.397 4.350 -0.002 0.000 0.250 358 T C 0.072 174.687 174.700 -0.142 0.000 1.082 358 T CA 0.323 62.256 62.100 -0.279 0.000 0.968 358 T CB -1.034 67.799 68.868 -0.059 0.000 1.015 358 T HN 0.508 nan 8.240 nan 0.000 0.563 359 H N 0.562 119.581 119.070 -0.084 0.000 2.604 359 H HA -0.116 4.438 4.556 -0.003 0.000 0.321 359 H C -0.781 174.527 175.328 -0.033 0.000 1.132 359 H CA 1.073 57.088 56.048 -0.054 0.000 1.129 359 H CB -2.446 27.270 29.762 -0.076 0.000 1.526 359 H HN 0.448 nan 8.280 nan 0.000 0.415 360 T N 2.884 117.454 114.554 0.028 0.000 2.864 360 T HA 0.280 4.629 4.350 -0.002 0.000 0.310 360 T C -1.928 172.780 174.700 0.014 0.000 1.040 360 T CA -1.191 60.921 62.100 0.020 0.000 0.977 360 T CB 2.576 71.446 68.868 0.002 0.000 0.976 360 T HN 0.111 nan 8.240 nan 0.000 0.459 361 P HA 0.148 nan 4.420 nan 0.000 0.269 361 P C -2.615 174.688 177.300 0.006 0.000 1.217 361 P CA -1.237 61.873 63.100 0.017 0.000 0.783 361 P CB -0.376 31.335 31.700 0.019 0.000 0.898 362 P HA 0.104 nan 4.420 nan 0.000 0.271 362 P C -0.244 177.061 177.300 0.009 0.000 1.216 362 P CA -0.189 62.919 63.100 0.013 0.000 0.771 362 P CB 0.410 32.138 31.700 0.047 0.000 0.864 363 L N 2.385 123.593 121.223 -0.025 0.000 2.371 363 L HA 0.345 4.683 4.340 -0.002 0.000 0.272 363 L C 0.170 177.072 176.870 0.053 0.000 1.124 363 L CA -0.026 54.801 54.840 -0.022 0.000 0.816 363 L CB 0.178 42.169 42.059 -0.114 0.000 1.129 363 L HN 0.265 nan 8.230 nan 0.000 0.448 364 D N 5.152 125.574 120.400 0.036 0.000 2.383 364 D HA 0.142 4.780 4.640 -0.002 0.000 0.252 364 D C -1.864 174.463 176.300 0.045 0.000 1.166 364 D CA -1.400 52.624 54.000 0.040 0.000 0.879 364 D CB 1.898 42.706 40.800 0.015 0.000 1.164 364 D HN 0.478 nan 8.370 nan 0.000 0.462 365 P HA -0.075 nan 4.420 nan 0.000 0.225 365 P C 0.859 178.107 177.300 -0.087 0.000 1.148 365 P CA 0.879 63.965 63.100 -0.023 0.000 0.779 365 P CB 0.394 32.016 31.700 -0.130 0.000 0.780 366 Q N -0.279 119.490 119.800 -0.052 0.000 2.245 366 Q HA -0.089 4.249 4.340 -0.002 0.000 0.201 366 Q C 1.870 177.841 176.000 -0.049 0.000 0.955 366 Q CA 0.995 56.767 55.803 -0.053 0.000 0.870 366 Q CB -0.501 28.218 28.738 -0.032 0.000 0.945 366 Q HN 0.393 nan 8.270 nan 0.000 0.461 367 E N 0.179 120.358 120.200 -0.035 0.000 2.333 367 E HA -0.165 4.183 4.350 -0.002 0.000 0.198 367 E C 1.494 178.063 176.600 -0.051 0.000 1.007 367 E CA 0.463 56.846 56.400 -0.030 0.000 0.845 367 E CB -0.096 29.596 29.700 -0.013 0.000 0.766 367 E HN 0.356 nan 8.360 nan 0.000 0.507 368 L N 1.230 122.402 121.223 -0.085 0.000 2.349 368 L HA -0.182 4.157 4.340 -0.002 0.000 0.220 368 L C 1.470 178.262 176.870 -0.130 0.000 1.130 368 L CA 0.812 55.573 54.840 -0.130 0.000 0.791 368 L CB -0.083 41.819 42.059 -0.261 0.000 0.918 368 L HN -0.013 nan 8.230 nan 0.000 0.444 369 D N -0.302 120.042 120.400 -0.093 0.000 2.378 369 D HA -0.103 4.535 4.640 -0.002 0.000 0.222 369 D C 2.063 178.321 176.300 -0.071 0.000 0.980 369 D CA 0.858 54.813 54.000 -0.076 0.000 0.907 369 D CB 0.019 40.790 40.800 -0.048 0.000 0.899 369 D HN 0.359 nan 8.370 nan 0.000 0.527 370 I N 0.027 120.562 120.570 -0.058 0.000 2.614 370 I HA -0.196 3.973 4.170 -0.002 0.000 0.258 370 I C 1.554 177.652 176.117 -0.031 0.000 1.189 370 I CA 0.683 61.968 61.300 -0.024 0.000 1.462 370 I CB 0.042 38.051 38.000 0.014 0.000 1.092 370 I HN -0.022 nan 8.210 nan 0.000 0.442 371 L N -0.161 120.999 121.223 -0.104 0.000 2.612 371 L HA 0.060 4.399 4.340 -0.002 0.000 0.230 371 L C 1.992 178.768 176.870 -0.155 0.000 1.140 371 L CA 0.235 54.991 54.840 -0.139 0.000 0.896 371 L CB -0.626 41.257 42.059 -0.294 0.000 1.065 371 L HN 0.018 nan 8.230 nan 0.000 0.447 372 K N 0.532 120.857 120.400 -0.126 0.000 2.360 372 K HA -0.138 4.181 4.320 -0.002 0.000 0.201 372 K C 2.028 178.595 176.600 -0.055 0.000 1.046 372 K CA 1.832 58.059 56.287 -0.101 0.000 0.940 372 K CB -0.201 32.249 32.500 -0.082 0.000 0.748 372 K HN 0.559 nan 8.250 nan 0.000 0.465 373 T N -2.048 112.490 114.554 -0.027 0.000 3.031 373 T HA 0.052 4.400 4.350 -0.002 0.000 0.254 373 T C 1.081 175.795 174.700 0.024 0.000 1.060 373 T CA -0.229 61.870 62.100 -0.001 0.000 1.135 373 T CB -0.223 68.651 68.868 0.010 0.000 0.896 373 T HN -0.201 nan 8.240 nan 0.000 0.472 374 V N 2.565 122.507 119.914 0.046 0.000 2.644 374 V HA 0.400 4.518 4.120 -0.002 0.000 0.305 374 V C 1.527 177.669 176.094 0.079 0.000 1.053 374 V CA 1.326 63.679 62.300 0.088 0.000 1.186 374 V CB 0.077 31.985 31.823 0.142 0.000 0.895 374 V HN 0.770 nan 8.190 nan 0.000 0.490 375 K N 3.824 124.264 120.400 0.067 0.000 2.511 375 K HA 0.290 4.609 4.320 -0.002 0.000 0.206 375 K C 0.604 177.230 176.600 0.043 0.000 1.333 375 K CA 0.601 56.914 56.287 0.043 0.000 0.957 375 K CB 0.495 33.008 32.500 0.022 0.000 1.172 375 K HN 0.833 nan 8.250 nan 0.000 0.547 376 E N 0.217 120.450 120.200 0.055 0.000 2.256 376 E HA 0.592 4.941 4.350 -0.002 0.000 0.268 376 E C -1.559 175.078 176.600 0.062 0.000 0.877 376 E CA -0.717 55.713 56.400 0.049 0.000 0.757 376 E CB 1.697 31.421 29.700 0.040 0.000 1.183 376 E HN 0.217 nan 8.360 nan 0.000 0.418 377 I N 3.475 124.077 120.570 0.053 0.000 2.404 377 I HA 0.183 4.352 4.170 -0.002 0.000 0.293 377 I C 0.851 176.993 176.117 0.041 0.000 0.992 377 I CA -0.421 60.906 61.300 0.046 0.000 1.149 377 I CB 2.124 40.143 38.000 0.032 0.000 1.315 377 I HN 0.680 nan 8.210 nan 0.000 0.446 378 T N 3.457 118.029 114.554 0.030 0.000 2.983 378 T HA 0.115 4.464 4.350 -0.002 0.000 0.250 378 T C 1.199 175.920 174.700 0.035 0.000 1.037 378 T CA 0.930 63.050 62.100 0.033 0.000 1.142 378 T CB 0.139 69.023 68.868 0.027 0.000 0.876 378 T HN 0.821 nan 8.240 nan 0.000 0.455 379 G N 1.166 109.962 108.800 -0.007 0.000 3.152 379 G HA2 0.451 4.409 3.960 -0.002 0.000 0.157 379 G HA3 0.451 4.409 3.960 -0.002 0.000 0.157 379 G C -0.202 174.733 174.900 0.059 0.000 1.786 379 G CA -0.069 45.014 45.100 -0.027 0.000 1.055 379 G HN 0.449 nan 8.290 nan 0.000 0.528 380 F N -2.120 117.872 119.950 0.070 0.000 2.611 380 F HA 0.787 5.312 4.527 -0.002 0.000 0.324 380 F C -1.098 174.728 175.800 0.043 0.000 1.061 380 F CA -2.041 55.994 58.000 0.058 0.000 0.954 380 F CB 1.587 40.626 39.000 0.065 0.000 1.301 380 F HN 0.354 nan 8.300 nan 0.000 0.482 381 L N 3.304 124.717 121.223 0.318 0.000 2.305 381 L HA 0.725 5.064 4.340 -0.002 0.000 0.284 381 L C -1.637 175.344 176.870 0.184 0.000 1.013 381 L CA -0.874 54.041 54.840 0.124 0.000 0.819 381 L CB 1.240 43.240 42.059 -0.099 0.000 1.227 381 L HN 0.825 nan 8.230 nan 0.000 0.417 382 L N 6.754 128.082 121.223 0.176 0.000 2.404 382 L HA 0.669 5.007 4.340 -0.002 0.000 0.272 382 L C -1.545 175.351 176.870 0.044 0.000 0.980 382 L CA -0.066 54.820 54.840 0.075 0.000 0.836 382 L CB 1.337 43.419 42.059 0.039 0.000 1.238 382 L HN 0.579 nan 8.230 nan 0.000 0.408 383 I N 5.259 125.834 120.570 0.008 0.000 2.420 383 I HA 0.354 4.522 4.170 -0.002 0.000 0.282 383 I C 0.253 176.414 176.117 0.073 0.000 1.019 383 I CA -0.095 61.252 61.300 0.078 0.000 1.130 383 I CB 1.697 39.704 38.000 0.012 0.000 1.262 383 I HN 0.702 nan 8.210 nan 0.000 0.454 384 Q N 4.262 124.139 119.800 0.129 0.000 2.189 384 Q HA 0.487 4.826 4.340 -0.002 0.000 0.223 384 Q C 0.174 176.277 176.000 0.171 0.000 0.828 384 Q CA -0.117 55.746 55.803 0.100 0.000 0.967 384 Q CB 1.902 30.677 28.738 0.062 0.000 1.139 384 Q HN 0.774 nan 8.270 nan 0.000 0.497 385 A N 0.524 123.523 122.820 0.299 0.000 2.583 385 A HA 0.769 5.088 4.320 -0.002 0.000 0.289 385 A C -2.147 175.775 177.584 0.565 0.000 1.151 385 A CA -0.485 51.786 52.037 0.391 0.000 0.695 385 A CB 1.867 21.177 19.000 0.517 0.000 1.290 385 A HN 0.247 nan 8.150 nan 0.000 0.419 386 W N 0.468 121.744 121.300 -0.040 0.000 3.955 386 W HA 0.304 4.963 4.660 -0.001 0.000 0.268 386 W C -3.409 172.775 176.519 -0.558 0.000 1.249 386 W CA -0.912 56.268 57.345 -0.275 0.000 1.211 386 W CB 0.387 29.835 29.460 -0.019 0.000 1.236 386 W HN 0.559 nan 8.180 nan 0.000 0.568 387 P HA -0.014 nan 4.420 nan 0.000 0.261 387 P C 0.680 177.834 177.300 -0.243 0.000 1.183 387 P CA 0.929 63.618 63.100 -0.684 0.000 0.761 387 P CB 0.598 31.903 31.700 -0.659 0.000 0.785 388 E N 2.261 122.372 120.200 -0.147 0.000 2.106 388 E HA -0.215 4.134 4.350 -0.002 0.000 0.192 388 E C 1.611 178.205 176.600 -0.011 0.000 0.984 388 E CA 0.555 56.938 56.400 -0.029 0.000 0.806 388 E CB -0.255 29.431 29.700 -0.024 0.000 0.750 388 E HN 0.493 nan 8.360 nan 0.000 0.458 389 N N 1.217 119.888 118.700 -0.048 0.000 2.396 389 N HA -0.165 4.573 4.740 -0.002 0.000 0.191 389 N C 0.044 175.552 175.510 -0.004 0.000 1.015 389 N CA 0.824 53.855 53.050 -0.032 0.000 0.893 389 N CB 0.110 38.564 38.487 -0.056 0.000 0.956 389 N HN 0.064 nan 8.380 nan 0.000 0.445 390 R N 0.153 120.663 120.500 0.016 0.000 2.229 390 R HA 0.100 4.438 4.340 -0.002 0.000 0.332 390 R C 0.373 176.796 176.300 0.205 0.000 0.989 390 R CA -0.119 56.045 56.100 0.107 0.000 0.842 390 R CB 1.118 31.469 30.300 0.086 0.000 1.119 390 R HN -0.119 nan 8.270 nan 0.000 0.456 391 T N 1.402 116.033 114.554 0.129 0.000 3.169 391 T HA 0.033 4.382 4.350 -0.002 0.000 0.250 391 T C -0.523 174.223 174.700 0.075 0.000 1.111 391 T CA 0.651 62.805 62.100 0.090 0.000 1.010 391 T CB -0.108 68.788 68.868 0.047 0.000 0.984 391 T HN 0.441 nan 8.240 nan 0.000 0.537 392 D N -0.327 120.150 120.400 0.128 0.000 2.736 392 D HA 0.294 4.933 4.640 -0.002 0.000 0.223 392 D C -0.543 175.839 176.300 0.136 0.000 1.231 392 D CA -0.551 53.473 54.000 0.039 0.000 0.818 392 D CB 1.657 42.352 40.800 -0.176 0.000 1.587 392 D HN 0.003 nan 8.370 nan 0.000 0.463 393 L N 2.720 123.933 121.223 -0.016 0.000 2.955 393 L HA 0.085 4.424 4.340 -0.002 0.000 0.238 393 L C 1.141 178.204 176.870 0.322 0.000 1.359 393 L CA -0.041 54.752 54.840 -0.077 0.000 1.214 393 L CB -0.358 41.586 42.059 -0.192 0.000 1.600 393 L HN 0.333 nan 8.230 nan 0.000 0.442 394 H N 0.879 120.113 119.070 0.274 0.000 2.495 394 H HA -0.002 4.552 4.556 -0.003 0.000 0.287 394 H C 2.089 177.479 175.328 0.102 0.000 1.033 394 H CA 0.738 56.883 56.048 0.163 0.000 1.307 394 H CB 0.365 30.205 29.762 0.130 0.000 1.401 394 H HN 0.459 nan 8.280 nan 0.000 0.555 395 A N -0.255 122.701 122.820 0.227 0.000 2.070 395 A HA -0.122 4.197 4.320 -0.002 0.000 0.220 395 A C 1.179 178.524 177.584 -0.399 0.000 1.159 395 A CA 0.965 52.918 52.037 -0.140 0.000 0.656 395 A CB -0.796 18.060 19.000 -0.239 0.000 0.800 395 A HN 0.324 nan 8.150 nan 0.000 0.453 396 F N -0.473 119.552 119.950 0.125 0.000 2.668 396 F HA 0.226 4.752 4.527 -0.002 0.000 0.297 396 F C 1.542 177.312 175.800 -0.051 0.000 1.124 396 F CA -0.222 57.793 58.000 0.025 0.000 1.353 396 F CB -0.025 38.978 39.000 0.005 0.000 0.992 396 F HN 0.235 nan 8.300 nan 0.000 0.524 397 E N 0.843 121.054 120.200 0.017 0.000 2.187 397 E HA -0.229 4.120 4.350 -0.002 0.000 0.199 397 E C 1.017 177.548 176.600 -0.114 0.000 1.004 397 E CA 1.231 57.566 56.400 -0.108 0.000 0.813 397 E CB -0.005 29.534 29.700 -0.267 0.000 0.736 397 E HN 0.396 nan 8.360 nan 0.000 0.468 398 N N 0.222 118.880 118.700 -0.069 0.000 2.234 398 N HA 0.042 4.781 4.740 -0.002 0.000 0.227 398 N C -0.452 175.041 175.510 -0.029 0.000 1.151 398 N CA -0.137 52.876 53.050 -0.063 0.000 0.865 398 N CB 0.600 39.056 38.487 -0.051 0.000 1.066 398 N HN 0.051 nan 8.380 nan 0.000 0.515 399 L N 1.651 122.871 121.223 -0.004 0.000 2.369 399 L HA 0.136 4.474 4.340 -0.002 0.000 0.279 399 L C 1.104 177.942 176.870 -0.053 0.000 1.108 399 L CA 0.599 55.450 54.840 0.019 0.000 0.852 399 L CB 0.463 42.568 42.059 0.077 0.000 1.169 399 L HN 0.031 nan 8.230 nan 0.000 0.452 400 E N 4.105 124.287 120.200 -0.031 0.000 2.162 400 E HA 0.216 4.564 4.350 -0.002 0.000 0.193 400 E C -0.386 176.194 176.600 -0.033 0.000 0.953 400 E CA 0.527 56.899 56.400 -0.046 0.000 0.849 400 E CB 0.449 30.132 29.700 -0.027 0.000 0.810 400 E HN 0.557 nan 8.360 nan 0.000 0.470 401 I N 0.958 121.524 120.570 -0.006 0.000 2.619 401 I HA 0.302 4.470 4.170 -0.002 0.000 0.292 401 I C -0.951 175.183 176.117 0.028 0.000 1.100 401 I CA -0.378 60.929 61.300 0.012 0.000 1.043 401 I CB 2.369 40.382 38.000 0.021 0.000 1.239 401 I HN -0.108 nan 8.210 nan 0.000 0.420 402 I N 5.290 125.886 120.570 0.043 0.000 2.433 402 I HA 0.469 4.637 4.170 -0.002 0.000 0.292 402 I C 0.896 177.065 176.117 0.086 0.000 1.001 402 I CA -0.486 60.854 61.300 0.066 0.000 1.119 402 I CB 2.008 40.057 38.000 0.081 0.000 1.289 402 I HN 0.578 nan 8.210 nan 0.000 0.438 403 R N 3.176 123.729 120.500 0.088 0.000 2.225 403 R HA 0.186 4.524 4.340 -0.002 0.000 0.194 403 R C 1.378 177.746 176.300 0.112 0.000 0.957 403 R CA 0.622 56.776 56.100 0.090 0.000 1.042 403 R CB 0.385 30.727 30.300 0.069 0.000 1.004 403 R HN 1.036 nan 8.270 nan 0.000 0.509 404 G N 1.811 110.693 108.800 0.137 0.000 2.166 404 G HA2 -0.353 3.605 3.960 -0.002 0.000 0.260 404 G HA3 -0.353 3.605 3.960 -0.002 0.000 0.260 404 G C 0.804 175.788 174.900 0.140 0.000 0.986 404 G CA 0.730 45.932 45.100 0.170 0.000 0.683 404 G HN 0.309 nan 8.290 nan 0.000 0.527 405 R N 0.061 120.625 120.500 0.107 0.000 2.154 405 R HA -0.098 4.241 4.340 -0.002 0.000 0.248 405 R C 1.546 177.905 176.300 0.098 0.000 1.155 405 R CA 1.808 57.958 56.100 0.083 0.000 0.979 405 R CB -0.568 29.768 30.300 0.061 0.000 0.869 405 R HN 0.825 nan 8.270 nan 0.000 0.452 406 T N -2.322 112.319 114.554 0.145 0.000 2.876 406 T HA 0.658 5.007 4.350 -0.002 0.000 0.289 406 T C -0.639 174.327 174.700 0.443 0.000 1.014 406 T CA -0.820 61.410 62.100 0.218 0.000 0.986 406 T CB 2.245 71.223 68.868 0.183 0.000 1.021 406 T HN 0.164 nan 8.240 nan 0.000 0.458 407 K N 1.753 122.353 120.400 0.333 0.000 2.426 407 K HA 0.728 5.046 4.320 -0.002 0.000 0.251 407 K C -0.281 176.128 176.600 -0.318 0.000 0.941 407 K CA -1.014 55.320 56.287 0.079 0.000 0.808 407 K CB 1.646 34.127 32.500 -0.033 0.000 1.265 407 K HN 1.084 nan 8.250 nan 0.000 0.432 408 Q N 1.460 120.610 119.800 -1.082 0.000 2.300 408 Q HA 0.096 4.434 4.340 -0.002 0.000 0.280 408 Q C -0.168 175.656 176.000 -0.294 0.000 1.033 408 Q CA 0.740 55.983 55.803 -0.933 0.000 0.903 408 Q CB -0.044 28.079 28.738 -1.025 0.000 1.195 408 Q HN 0.858 nan 8.270 nan 0.000 0.386 409 H N 2.665 121.684 119.070 -0.085 0.000 3.100 409 H HA -0.251 4.304 4.556 -0.002 0.000 0.271 409 H C 0.844 176.131 175.328 -0.070 0.000 1.116 409 H CA 1.506 57.539 56.048 -0.024 0.000 1.177 409 H CB -1.722 28.056 29.762 0.028 0.000 1.294 409 H HN 1.223 nan 8.280 nan 0.000 0.334 410 G N 0.231 109.009 108.800 -0.037 0.000 2.182 410 G HA2 -0.296 3.662 3.960 -0.002 0.000 0.248 410 G HA3 -0.296 3.662 3.960 -0.002 0.000 0.248 410 G C 0.506 175.295 174.900 -0.184 0.000 1.042 410 G CA 1.239 46.299 45.100 -0.067 0.000 0.775 410 G HN 0.635 nan 8.290 nan 0.000 0.501 411 Q N -1.731 117.858 119.800 -0.351 0.000 2.286 411 Q HA 0.459 4.798 4.340 -0.002 0.000 0.243 411 Q C 0.054 175.546 176.000 -0.846 0.000 0.752 411 Q CA 0.069 55.445 55.803 -0.712 0.000 0.950 411 Q CB 0.707 28.782 28.738 -1.104 0.000 1.253 411 Q HN 0.436 nan 8.270 nan 0.000 0.492 412 F N 1.261 121.112 119.950 -0.165 0.000 2.449 412 F HA 0.354 4.880 4.527 -0.002 0.000 0.342 412 F C 1.064 176.738 175.800 -0.209 0.000 1.127 412 F CA -0.436 57.455 58.000 -0.182 0.000 0.975 412 F CB 1.972 40.844 39.000 -0.213 0.000 1.146 412 F HN 0.067 nan 8.300 nan 0.000 0.444 413 S N 2.212 117.991 115.700 0.133 0.000 2.421 413 S HA 0.146 4.615 4.470 -0.002 0.000 0.224 413 S C 0.044 174.771 174.600 0.212 0.000 1.035 413 S CA 0.175 58.500 58.200 0.207 0.000 0.953 413 S CB 0.185 63.510 63.200 0.208 0.000 0.810 413 S HN 0.438 nan 8.310 nan 0.000 0.497 414 L N 1.321 122.640 121.223 0.159 0.000 2.362 414 L HA 0.816 5.155 4.340 -0.002 0.000 0.275 414 L C -1.072 175.804 176.870 0.009 0.000 0.998 414 L CA -0.789 54.105 54.840 0.090 0.000 0.820 414 L CB 1.580 43.702 42.059 0.104 0.000 1.270 414 L HN 0.269 nan 8.230 nan 0.000 0.415 415 A N 4.684 127.471 122.820 -0.055 0.000 2.402 415 A HA 0.745 5.063 4.320 -0.002 0.000 0.291 415 A C -1.744 175.764 177.584 -0.126 0.000 1.051 415 A CA -0.474 51.473 52.037 -0.150 0.000 0.716 415 A CB 1.576 20.430 19.000 -0.243 0.000 1.223 415 A HN 0.452 nan 8.150 nan 0.000 0.425 416 V N 3.292 123.128 119.914 -0.130 0.000 2.349 416 V HA 0.561 4.680 4.120 -0.002 0.000 0.284 416 V C -0.684 175.350 176.094 -0.100 0.000 1.014 416 V CA -0.390 61.847 62.300 -0.105 0.000 0.826 416 V CB 1.292 33.062 31.823 -0.087 0.000 1.009 416 V HN 0.715 nan 8.190 nan 0.000 0.431 417 V N 3.255 123.123 119.914 -0.076 0.000 2.733 417 V HA 0.472 4.590 4.120 -0.002 0.000 0.306 417 V C 0.233 176.311 176.094 -0.027 0.000 1.084 417 V CA -0.427 61.830 62.300 -0.071 0.000 0.905 417 V CB 2.216 33.979 31.823 -0.100 0.000 1.010 417 V HN 0.969 nan 8.190 nan 0.000 0.424 418 S N 3.977 119.662 115.700 -0.026 0.000 3.783 418 S HA -0.137 4.332 4.470 -0.002 0.000 0.360 418 S C -0.374 174.238 174.600 0.020 0.000 1.006 418 S CA 0.507 58.706 58.200 -0.003 0.000 1.115 418 S CB -1.292 61.912 63.200 0.006 0.000 0.893 418 S HN 0.532 nan 8.310 nan 0.000 0.475 419 L N 0.434 121.664 121.223 0.012 0.000 2.319 419 L HA 0.540 4.878 4.340 -0.002 0.000 0.267 419 L C 1.292 178.178 176.870 0.026 0.000 1.011 419 L CA -0.910 53.948 54.840 0.031 0.000 0.818 419 L CB 1.011 43.075 42.059 0.009 0.000 1.316 419 L HN 0.029 nan 8.230 nan 0.000 0.432 420 N N 0.902 119.633 118.700 0.051 0.000 2.422 420 N HA 0.079 4.818 4.740 -0.002 0.000 0.181 420 N C 0.401 175.939 175.510 0.047 0.000 1.080 420 N CA -0.030 53.047 53.050 0.045 0.000 0.893 420 N CB -0.153 38.365 38.487 0.051 0.000 0.973 420 N HN 0.512 nan 8.380 nan 0.000 0.456 421 I N -1.026 119.573 120.570 0.049 0.000 3.094 421 I HA -0.049 4.119 4.170 -0.002 0.000 0.291 421 I C 1.302 177.446 176.117 0.045 0.000 1.250 421 I CA 0.201 61.529 61.300 0.046 0.000 1.401 421 I CB 0.393 38.388 38.000 -0.009 0.000 1.343 421 I HN -0.076 nan 8.210 nan 0.000 0.599 422 T N 0.551 115.146 114.554 0.068 0.000 3.031 422 T HA 0.177 4.525 4.350 -0.002 0.000 0.254 422 T C 0.584 175.384 174.700 0.167 0.000 1.060 422 T CA 0.325 62.479 62.100 0.090 0.000 1.135 422 T CB -0.187 68.748 68.868 0.112 0.000 0.896 422 T HN 0.714 nan 8.240 nan 0.000 0.472 423 S N 0.343 116.153 115.700 0.184 0.000 2.537 423 S HA 0.553 5.021 4.470 -0.002 0.000 0.270 423 S C -1.079 173.628 174.600 0.179 0.000 1.142 423 S CA -0.974 57.397 58.200 0.285 0.000 0.870 423 S CB 1.677 65.023 63.200 0.244 0.000 1.112 423 S HN 0.250 nan 8.310 nan 0.000 0.466 424 L N 2.338 123.710 121.223 0.249 0.000 2.369 424 L HA 0.336 4.675 4.340 -0.002 0.000 0.279 424 L C 1.411 178.458 176.870 0.295 0.000 1.108 424 L CA -0.181 54.819 54.840 0.266 0.000 0.852 424 L CB 0.430 42.753 42.059 0.441 0.000 1.169 424 L HN 1.090 nan 8.230 nan 0.000 0.452 425 G N 4.914 113.815 108.800 0.169 0.000 3.155 425 G HA2 0.094 4.053 3.960 -0.002 0.000 0.213 425 G HA3 0.094 4.053 3.960 -0.002 0.000 0.213 425 G C 0.700 175.652 174.900 0.087 0.000 1.196 425 G CA -0.316 44.901 45.100 0.195 0.000 0.846 425 G HN 0.522 nan 8.290 nan 0.000 0.516 426 L N 1.478 122.621 121.223 -0.132 0.000 2.727 426 L HA 0.203 4.541 4.340 -0.002 0.000 0.237 426 L C 2.150 178.259 176.870 -1.268 0.000 1.370 426 L CA -0.475 53.995 54.840 -0.616 0.000 1.248 426 L CB 0.006 41.660 42.059 -0.674 0.000 1.556 426 L HN 0.302 nan 8.230 nan 0.000 0.420 427 R N -1.499 118.588 120.500 -0.688 0.000 2.148 427 R HA -0.050 4.288 4.340 -0.002 0.000 0.227 427 R C 1.270 177.270 176.300 -0.499 0.000 1.103 427 R CA 1.105 56.819 56.100 -0.643 0.000 0.983 427 R CB -0.457 29.743 30.300 -0.167 0.000 0.874 427 R HN 0.319 nan 8.270 nan 0.000 0.451 428 S N 0.977 116.439 115.700 -0.396 0.000 2.593 428 S HA 0.098 4.567 4.470 -0.002 0.000 0.217 428 S C 0.299 174.733 174.600 -0.276 0.000 0.966 428 S CA -0.403 57.641 58.200 -0.260 0.000 0.914 428 S CB -0.016 63.086 63.200 -0.163 0.000 0.776 428 S HN 0.094 nan 8.310 nan 0.000 0.523 429 L N 2.667 123.610 121.223 -0.467 0.000 2.360 429 L HA 0.280 4.619 4.340 -0.002 0.000 0.276 429 L C 0.774 177.552 176.870 -0.153 0.000 1.121 429 L CA 0.716 55.361 54.840 -0.325 0.000 0.845 429 L CB 0.387 42.175 42.059 -0.451 0.000 1.143 429 L HN -0.152 nan 8.230 nan 0.000 0.452 430 K N 2.806 123.159 120.400 -0.078 0.000 2.562 430 K HA 0.309 4.627 4.320 -0.002 0.000 0.218 430 K C -0.411 176.176 176.600 -0.022 0.000 1.374 430 K CA 0.044 56.310 56.287 -0.035 0.000 0.996 430 K CB 1.098 33.580 32.500 -0.030 0.000 1.127 430 K HN 0.510 nan 8.250 nan 0.000 0.603 431 E N 0.686 120.876 120.200 -0.015 0.000 2.291 431 E HA 0.437 4.785 4.350 -0.002 0.000 0.276 431 E C -1.378 175.239 176.600 0.027 0.000 0.896 431 E CA -0.202 56.203 56.400 0.008 0.000 0.774 431 E CB 1.823 31.538 29.700 0.025 0.000 1.227 431 E HN -0.009 nan 8.360 nan 0.000 0.413 432 I N 3.374 123.965 120.570 0.036 0.000 2.563 432 I HA 0.187 4.355 4.170 -0.002 0.000 0.276 432 I C 0.713 176.950 176.117 0.200 0.000 1.074 432 I CA -0.273 61.092 61.300 0.108 0.000 1.124 432 I CB 1.412 39.480 38.000 0.112 0.000 1.225 432 I HN 0.430 nan 8.210 nan 0.000 0.482 433 S N 2.751 118.556 115.700 0.174 0.000 2.335 433 S HA -0.147 4.322 4.470 -0.002 0.000 0.217 433 S C 1.139 175.867 174.600 0.213 0.000 1.032 433 S CA 1.280 59.590 58.200 0.185 0.000 0.985 433 S CB -0.054 63.217 63.200 0.118 0.000 0.896 433 S HN 0.758 nan 8.310 nan 0.000 0.445 434 D N 0.512 121.013 120.400 0.168 0.000 2.540 434 D HA 0.331 4.970 4.640 -0.002 0.000 0.229 434 D C 0.173 176.521 176.300 0.081 0.000 1.250 434 D CA 0.045 54.109 54.000 0.107 0.000 0.817 434 D CB 0.444 41.288 40.800 0.074 0.000 1.060 434 D HN 0.392 nan 8.370 nan 0.000 0.508 435 G N -0.445 108.436 108.800 0.135 0.000 2.537 435 G HA2 0.388 4.346 3.960 -0.002 0.000 0.308 435 G HA3 0.388 4.346 3.960 -0.002 0.000 0.308 435 G C -0.676 174.291 174.900 0.112 0.000 1.237 435 G CA -0.696 44.452 45.100 0.079 0.000 0.968 435 G HN -0.010 nan 8.290 nan 0.000 0.481 436 D N -0.540 119.858 120.400 -0.004 0.000 2.329 436 D HA 0.307 4.945 4.640 -0.002 0.000 0.246 436 D C -0.193 176.277 176.300 0.283 0.000 1.111 436 D CA 0.024 54.066 54.000 0.069 0.000 0.941 436 D CB 2.496 43.242 40.800 -0.089 0.000 1.169 436 D HN 0.013 nan 8.370 nan 0.000 0.441 437 V N 1.964 122.031 119.914 0.254 0.000 2.532 437 V HA 0.377 4.496 4.120 -0.002 0.000 0.295 437 V C 0.151 176.239 176.094 -0.010 0.000 1.041 437 V CA -0.583 61.776 62.300 0.099 0.000 0.926 437 V CB 1.709 33.472 31.823 -0.100 0.000 0.992 437 V HN 0.378 nan 8.190 nan 0.000 0.457 438 I N 5.807 126.287 120.570 -0.151 0.000 2.468 438 I HA 0.472 4.640 4.170 -0.002 0.000 0.284 438 I C -1.220 174.743 176.117 -0.256 0.000 1.038 438 I CA -0.323 60.799 61.300 -0.297 0.000 1.083 438 I CB 1.780 39.386 38.000 -0.657 0.000 1.223 438 I HN 0.477 nan 8.210 nan 0.000 0.443 439 I N 6.066 126.497 120.570 -0.232 0.000 2.411 439 I HA 0.337 4.506 4.170 -0.002 0.000 0.284 439 I C -0.590 175.444 176.117 -0.139 0.000 1.012 439 I CA 0.219 61.419 61.300 -0.167 0.000 1.119 439 I CB 1.586 39.494 38.000 -0.154 0.000 1.261 439 I HN 0.388 nan 8.210 nan 0.000 0.448 440 S N 3.325 118.952 115.700 -0.122 0.000 2.536 440 S HA 0.646 5.114 4.470 -0.002 0.000 0.271 440 S C 0.550 175.105 174.600 -0.075 0.000 1.134 440 S CA -0.222 57.915 58.200 -0.105 0.000 0.897 440 S CB 1.908 65.029 63.200 -0.132 0.000 1.094 440 S HN 1.004 nan 8.310 nan 0.000 0.473 441 G N 2.155 110.919 108.800 -0.059 0.000 2.189 441 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.267 441 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.267 441 G C -0.237 174.644 174.900 -0.032 0.000 0.975 441 G CA -0.103 44.972 45.100 -0.042 0.000 0.644 441 G HN 0.720 nan 8.290 nan 0.000 0.537 442 N N 0.957 119.636 118.700 -0.035 0.000 2.739 442 N HA 0.379 5.117 4.740 -0.002 0.000 0.266 442 N C 1.357 176.852 175.510 -0.025 0.000 1.168 442 N CA 0.759 53.794 53.050 -0.025 0.000 1.055 442 N CB 0.826 39.298 38.487 -0.024 0.000 1.393 442 N HN 0.683 nan 8.380 nan 0.000 0.514 443 K N 1.130 121.517 120.400 -0.021 0.000 2.633 443 K HA -0.065 4.254 4.320 -0.002 0.000 0.193 443 K C 0.860 177.445 176.600 -0.026 0.000 1.033 443 K CA 0.935 57.208 56.287 -0.024 0.000 0.980 443 K CB -0.649 31.840 32.500 -0.018 0.000 0.800 443 K HN 0.522 nan 8.250 nan 0.000 0.493 444 N N -1.766 116.920 118.700 -0.023 0.000 2.113 444 N HA 0.168 4.907 4.740 -0.002 0.000 0.223 444 N C -0.520 174.967 175.510 -0.040 0.000 1.310 444 N CA -0.499 52.535 53.050 -0.027 0.000 0.896 444 N CB 0.575 39.058 38.487 -0.007 0.000 1.097 444 N HN 0.274 nan 8.380 nan 0.000 0.507 445 L N 0.847 122.050 121.223 -0.032 0.000 2.361 445 L HA 0.199 4.537 4.340 -0.002 0.000 0.278 445 L C 0.388 177.208 176.870 -0.083 0.000 1.113 445 L CA 0.267 55.095 54.840 -0.021 0.000 0.849 445 L CB 0.565 42.628 42.059 0.007 0.000 1.155 445 L HN 0.184 nan 8.230 nan 0.000 0.452 446 c N 3.757 122.246 118.600 -0.184 0.000 3.270 446 c HA 0.212 4.780 4.570 -0.002 0.000 0.369 446 c C 1.453 175.272 174.090 -0.451 0.000 1.326 446 c CA -0.124 55.948 56.329 -0.429 0.000 1.846 446 c CB -0.372 41.680 42.510 -0.763 0.000 2.534 446 c HN 0.927 nan 8.230 nan 0.000 0.649 447 Y N 0.077 120.377 120.300 0.001 0.000 2.462 447 Y HA 0.333 4.881 4.550 -0.003 0.000 0.253 447 Y C 2.392 178.268 175.900 -0.039 0.000 1.095 447 Y CA 0.671 58.753 58.100 -0.030 0.000 1.283 447 Y CB -0.652 37.780 38.460 -0.045 0.000 1.138 447 Y HN 0.126 nan 8.280 nan 0.000 0.522 448 A N 1.533 124.442 122.820 0.149 0.000 2.054 448 A HA -0.348 3.970 4.320 -0.002 0.000 0.223 448 A C 1.687 179.423 177.584 0.253 0.000 1.169 448 A CA 2.460 54.630 52.037 0.221 0.000 0.655 448 A CB -0.953 18.179 19.000 0.220 0.000 0.812 448 A HN 0.712 nan 8.150 nan 0.000 0.462 449 N N 0.239 119.016 118.700 0.128 0.000 2.142 449 N HA -0.135 4.604 4.740 -0.002 0.000 0.186 449 N C 1.609 177.158 175.510 0.066 0.000 1.023 449 N CA 1.960 55.081 53.050 0.118 0.000 0.852 449 N CB -1.352 37.164 38.487 0.050 0.000 0.998 449 N HN 0.561 nan 8.380 nan 0.000 0.424 450 T N -1.321 113.229 114.554 -0.006 0.000 2.822 450 T HA -0.105 4.244 4.350 -0.002 0.000 0.270 450 T C 0.823 175.419 174.700 -0.174 0.000 1.064 450 T CA 0.588 62.646 62.100 -0.070 0.000 1.131 450 T CB -0.608 68.221 68.868 -0.066 0.000 0.858 450 T HN 0.153 nan 8.240 nan 0.000 0.483 451 I N 2.390 122.769 120.570 -0.317 0.000 2.519 451 I HA 0.216 4.385 4.170 -0.002 0.000 0.287 451 I C 0.508 176.372 176.117 -0.422 0.000 1.047 451 I CA -0.493 60.456 61.300 -0.584 0.000 1.381 451 I CB 0.998 38.273 38.000 -1.208 0.000 1.417 451 I HN 0.115 nan 8.210 nan 0.000 0.540 452 N N 5.418 123.917 118.700 -0.335 0.000 3.188 452 N HA 0.085 4.824 4.740 -0.002 0.000 0.279 452 N C 0.338 175.760 175.510 -0.147 0.000 1.213 452 N CA -0.322 52.647 53.050 -0.134 0.000 1.138 452 N CB 0.112 38.568 38.487 -0.052 0.000 1.417 452 N HN 0.493 nan 8.380 nan 0.000 0.526 453 W N 1.384 122.644 121.300 -0.067 0.000 2.258 453 W HA -0.356 4.303 4.660 -0.003 0.000 0.302 453 W C 2.338 178.740 176.519 -0.195 0.000 1.241 453 W CA 1.890 59.140 57.345 -0.158 0.000 1.246 453 W CB -0.610 28.837 29.460 -0.022 0.000 1.134 453 W HN 0.514 nan 8.180 nan 0.000 0.531 454 K N 0.713 121.297 120.400 0.308 0.000 2.209 454 K HA -0.086 4.233 4.320 -0.002 0.000 0.204 454 K C 1.821 178.540 176.600 0.199 0.000 1.048 454 K CA 2.184 58.709 56.287 0.396 0.000 0.940 454 K CB -1.434 31.240 32.500 0.290 0.000 0.729 454 K HN 0.369 nan 8.250 nan 0.000 0.451 455 K N 0.627 121.060 120.400 0.055 0.000 2.365 455 K HA 0.259 4.578 4.320 -0.002 0.000 0.199 455 K C 2.073 178.662 176.600 -0.018 0.000 1.045 455 K CA 1.242 57.539 56.287 0.016 0.000 0.962 455 K CB -0.466 32.021 32.500 -0.022 0.000 0.759 455 K HN 0.471 nan 8.250 nan 0.000 0.469 456 L N -1.063 120.088 121.223 -0.121 0.000 2.529 456 L HA 0.325 4.664 4.340 -0.002 0.000 0.223 456 L C 0.332 177.115 176.870 -0.145 0.000 1.113 456 L CA -0.433 54.303 54.840 -0.174 0.000 0.861 456 L CB 0.089 41.992 42.059 -0.261 0.000 1.012 456 L HN 0.239 nan 8.230 nan 0.000 0.461 457 F N -0.518 119.502 119.950 0.116 0.000 2.389 457 F HA 0.334 4.860 4.527 -0.002 0.000 0.337 457 F C 1.411 177.253 175.800 0.070 0.000 1.112 457 F CA -0.210 57.851 58.000 0.101 0.000 1.192 457 F CB 1.132 40.192 39.000 0.100 0.000 1.185 457 F HN -0.177 nan 8.300 nan 0.000 0.552 458 G N 0.437 109.409 108.800 0.288 0.000 3.079 458 G HA2 0.126 4.085 3.960 -0.002 0.000 0.233 458 G HA3 0.126 4.085 3.960 -0.002 0.000 0.233 458 G C -0.222 174.753 174.900 0.124 0.000 1.062 458 G CA -0.005 45.193 45.100 0.163 0.000 0.809 458 G HN 0.532 nan 8.290 nan 0.000 0.535 459 T N 0.179 114.810 114.554 0.127 0.000 2.792 459 T HA 0.403 4.751 4.350 -0.002 0.000 0.280 459 T C 0.094 174.799 174.700 0.009 0.000 0.990 459 T CA -0.311 61.821 62.100 0.053 0.000 0.960 459 T CB 1.937 70.824 68.868 0.032 0.000 0.939 459 T HN -0.090 nan 8.240 nan 0.000 0.439 460 S N 2.281 117.982 115.700 0.001 0.000 3.811 460 S HA 0.424 4.892 4.470 -0.002 0.000 0.205 460 S C 1.219 175.784 174.600 -0.058 0.000 1.445 460 S CA -0.007 58.183 58.200 -0.017 0.000 1.097 460 S CB -1.050 62.154 63.200 0.006 0.000 1.350 460 S HN 1.006 nan 8.310 nan 0.000 0.471 461 G N -0.375 108.357 108.800 -0.113 0.000 3.912 461 G HA2 0.339 4.297 3.960 -0.002 0.000 0.203 461 G HA3 0.339 4.297 3.960 -0.002 0.000 0.203 461 G C 0.081 174.852 174.900 -0.214 0.000 1.112 461 G CA 0.263 45.284 45.100 -0.131 0.000 0.871 461 G HN 0.776 nan 8.290 nan 0.000 0.549 462 Q N 0.417 120.005 119.800 -0.354 0.000 2.288 462 Q HA 0.769 5.107 4.340 -0.002 0.000 0.254 462 Q C -0.027 175.551 176.000 -0.703 0.000 0.932 462 Q CA 0.348 55.823 55.803 -0.547 0.000 0.902 462 Q CB 0.436 28.742 28.738 -0.719 0.000 1.203 462 Q HN 1.052 nan 8.270 nan 0.000 0.415 463 K N 0.231 120.377 120.400 -0.423 0.000 2.331 463 K HA 0.923 5.241 4.320 -0.002 0.000 0.238 463 K C 0.343 176.896 176.600 -0.078 0.000 1.058 463 K CA -0.048 56.099 56.287 -0.234 0.000 0.871 463 K CB 1.199 33.624 32.500 -0.124 0.000 1.292 463 K HN 1.470 nan 8.250 nan 0.000 0.470 464 T N -2.113 112.435 114.554 -0.011 0.000 2.927 464 T HA 0.664 5.012 4.350 -0.002 0.000 0.286 464 T C -0.214 174.442 174.700 -0.074 0.000 1.040 464 T CA -0.708 61.360 62.100 -0.053 0.000 1.010 464 T CB 1.497 70.271 68.868 -0.157 0.000 1.177 464 T HN 0.476 nan 8.240 nan 0.000 0.546 465 K N 0.997 121.315 120.400 -0.136 0.000 3.350 465 K HA 0.317 4.636 4.320 -0.002 0.000 0.167 465 K C -1.062 175.448 176.600 -0.150 0.000 1.058 465 K CA -0.423 55.800 56.287 -0.107 0.000 0.783 465 K CB 0.070 32.530 32.500 -0.068 0.000 0.872 465 K HN 0.578 nan 8.250 nan 0.000 0.561 466 I N 2.988 123.460 120.570 -0.162 0.000 2.352 466 I HA 0.140 4.308 4.170 -0.002 0.000 0.303 466 I C -0.235 175.835 176.117 -0.079 0.000 1.194 466 I CA 0.470 61.692 61.300 -0.130 0.000 1.518 466 I CB -0.113 37.825 38.000 -0.103 0.000 1.489 466 I HN 0.248 nan 8.210 nan 0.000 0.702 467 I N 3.358 123.879 120.570 -0.082 0.000 2.647 467 I HA 0.234 4.403 4.170 -0.002 0.000 0.295 467 I C 0.570 176.650 176.117 -0.062 0.000 1.078 467 I CA -0.599 60.664 61.300 -0.063 0.000 1.048 467 I CB 1.988 39.951 38.000 -0.061 0.000 1.239 467 I HN 0.340 nan 8.210 nan 0.000 0.421 468 S N 2.567 118.238 115.700 -0.049 0.000 3.586 468 S HA -0.144 4.325 4.470 -0.002 0.000 0.309 468 S C 0.349 174.922 174.600 -0.045 0.000 1.195 468 S CA 0.568 58.741 58.200 -0.045 0.000 0.895 468 S CB -1.399 61.773 63.200 -0.048 0.000 0.983 468 S HN 0.758 nan 8.310 nan 0.000 0.563 469 N N 0.933 119.606 118.700 -0.045 0.000 2.577 469 N HA 0.314 5.053 4.740 -0.002 0.000 0.296 469 N C 0.791 176.276 175.510 -0.042 0.000 1.357 469 N CA -0.463 52.561 53.050 -0.042 0.000 0.896 469 N CB 0.274 38.736 38.487 -0.041 0.000 1.102 469 N HN 0.319 nan 8.380 nan 0.000 0.506 470 R N -0.318 120.152 120.500 -0.049 0.000 2.637 470 R HA 0.355 4.693 4.340 -0.002 0.000 0.269 470 R C 0.625 176.895 176.300 -0.051 0.000 1.089 470 R CA -0.408 55.660 56.100 -0.053 0.000 1.177 470 R CB 0.001 30.258 30.300 -0.072 0.000 1.091 470 R HN 0.509 nan 8.270 nan 0.000 0.540 471 G N -0.322 108.450 108.800 -0.046 0.000 2.503 471 G HA2 0.260 4.218 3.960 -0.002 0.000 0.257 471 G HA3 0.260 4.218 3.960 -0.002 0.000 0.257 471 G C 1.008 175.879 174.900 -0.048 0.000 1.214 471 G CA 0.103 45.179 45.100 -0.041 0.000 0.839 471 G HN 0.750 nan 8.290 nan 0.000 0.559 472 E N 1.317 121.493 120.200 -0.040 0.000 2.130 472 E HA -0.268 4.080 4.350 -0.002 0.000 0.196 472 E C 2.150 178.725 176.600 -0.041 0.000 0.998 472 E CA 1.974 58.350 56.400 -0.040 0.000 0.806 472 E CB -0.797 28.887 29.700 -0.026 0.000 0.738 472 E HN 0.737 nan 8.360 nan 0.000 0.459 473 N N 0.498 119.177 118.700 -0.034 0.000 2.104 473 N HA -0.112 4.627 4.740 -0.002 0.000 0.190 473 N C 2.024 177.512 175.510 -0.037 0.000 1.024 473 N CA 1.969 55.001 53.050 -0.031 0.000 0.853 473 N CB -0.844 37.628 38.487 -0.025 0.000 1.008 473 N HN 0.349 nan 8.380 nan 0.000 0.424 474 S N 0.432 116.105 115.700 -0.044 0.000 2.344 474 S HA -0.075 4.394 4.470 -0.002 0.000 0.217 474 S C 2.276 176.839 174.600 -0.060 0.000 1.033 474 S CA 1.348 59.520 58.200 -0.048 0.000 1.017 474 S CB -0.582 62.588 63.200 -0.051 0.000 0.941 474 S HN 0.594 nan 8.310 nan 0.000 0.430 475 c N 1.912 120.460 118.600 -0.087 0.000 2.413 475 c HA -0.073 4.496 4.570 -0.002 0.000 0.277 475 c C 3.133 177.177 174.090 -0.078 0.000 1.228 475 c CA 1.393 57.652 56.329 -0.116 0.000 1.731 475 c CB -1.583 40.809 42.510 -0.197 0.000 2.042 475 c HN 0.775 nan 8.230 nan 0.000 0.468 476 K N 0.772 121.136 120.400 -0.061 0.000 2.089 476 K HA -0.147 4.171 4.320 -0.002 0.000 0.210 476 K C 2.103 178.685 176.600 -0.030 0.000 1.048 476 K CA 2.406 58.670 56.287 -0.038 0.000 0.926 476 K CB -1.294 31.189 32.500 -0.030 0.000 0.714 476 K HN 0.691 nan 8.250 nan 0.000 0.448 477 A N 0.694 123.495 122.820 -0.031 0.000 1.897 477 A HA -0.025 4.294 4.320 -0.002 0.000 0.215 477 A C 2.528 180.099 177.584 -0.023 0.000 1.181 477 A CA 2.106 54.128 52.037 -0.024 0.000 0.620 477 A CB -0.776 18.210 19.000 -0.024 0.000 0.821 477 A HN 0.535 nan 8.150 nan 0.000 0.443 478 T N -0.089 114.447 114.554 -0.030 0.000 3.139 478 T HA 0.280 4.629 4.350 -0.002 0.000 0.267 478 T C 1.216 175.905 174.700 -0.017 0.000 1.164 478 T CA 0.884 62.968 62.100 -0.026 0.000 1.075 478 T CB -0.656 68.189 68.868 -0.037 0.000 0.904 478 T HN 1.553 nan 8.240 nan 0.000 0.540 479 G N 2.055 110.844 108.800 -0.018 0.000 2.351 479 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.297 479 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.297 479 G C -0.173 174.733 174.900 0.010 0.000 1.054 479 G CA -0.439 44.657 45.100 -0.007 0.000 1.123 479 G HN 0.510 nan 8.290 nan 0.000 0.512 480 Q N -0.345 119.452 119.800 -0.005 0.000 2.928 480 Q HA 0.385 4.723 4.340 -0.002 0.000 0.353 480 Q C 0.475 176.495 176.000 0.033 0.000 0.870 480 Q CA -0.209 55.600 55.803 0.011 0.000 0.963 480 Q CB 1.478 30.136 28.738 -0.134 0.000 1.419 480 Q HN 0.482 nan 8.270 nan 0.000 0.396 481 V N -1.448 118.542 119.914 0.128 0.000 3.369 481 V HA 0.450 4.569 4.120 -0.002 0.000 0.301 481 V C 0.993 177.223 176.094 0.227 0.000 1.184 481 V CA -0.957 61.424 62.300 0.135 0.000 1.013 481 V CB 1.011 32.863 31.823 0.048 0.000 1.230 481 V HN 0.408 nan 8.190 nan 0.000 0.464 482 c N 0.013 118.694 118.600 0.136 0.000 2.705 482 c HA 0.222 4.790 4.570 -0.002 0.000 0.382 482 c C 0.792 174.930 174.090 0.080 0.000 1.322 482 c CA 0.155 56.539 56.329 0.092 0.000 2.290 482 c CB -0.959 41.578 42.510 0.046 0.000 2.650 482 c HN 0.929 nan 8.230 nan 0.000 0.695 483 H N 0.573 119.638 119.070 -0.009 0.000 2.790 483 H HA 0.307 4.861 4.556 -0.003 0.000 0.358 483 H C 0.989 176.315 175.328 -0.003 0.000 1.103 483 H CA 0.683 56.728 56.048 -0.006 0.000 1.426 483 H CB 0.783 30.533 29.762 -0.020 0.000 1.424 483 H HN 0.737 nan 8.280 nan 0.000 0.599 484 A N 4.611 127.388 122.820 -0.072 0.000 2.125 484 A HA -0.091 4.228 4.320 -0.002 0.000 0.219 484 A C 1.686 179.367 177.584 0.162 0.000 1.156 484 A CA 1.057 53.110 52.037 0.027 0.000 0.671 484 A CB -0.347 18.618 19.000 -0.059 0.000 0.794 484 A HN 0.729 nan 8.150 nan 0.000 0.459 485 L N -0.610 120.841 121.223 0.380 0.000 2.653 485 L HA 0.112 4.450 4.340 -0.002 0.000 0.231 485 L C 0.073 176.983 176.870 0.067 0.000 1.153 485 L CA -0.657 54.284 54.840 0.168 0.000 0.933 485 L CB -0.082 42.026 42.059 0.081 0.000 1.175 485 L HN 0.332 nan 8.230 nan 0.000 0.473 486 c N -0.651 117.997 118.600 0.079 0.000 2.345 486 c HA 0.543 5.112 4.570 -0.002 0.000 0.369 486 c C 1.181 175.280 174.090 0.015 0.000 1.273 486 c CA -0.783 55.562 56.329 0.027 0.000 2.310 486 c CB 1.459 43.982 42.510 0.020 0.000 2.219 486 c HN 0.489 nan 8.230 nan 0.000 0.587 487 S N 0.392 116.090 115.700 -0.004 0.000 2.713 487 S HA 0.397 4.866 4.470 -0.002 0.000 0.283 487 S C -2.075 172.515 174.600 -0.017 0.000 1.161 487 S CA -0.771 57.424 58.200 -0.008 0.000 0.999 487 S CB 0.431 63.623 63.200 -0.013 0.000 1.039 487 S HN 0.553 nan 8.310 nan 0.000 0.548 488 P HA -0.158 nan 4.420 nan 0.000 0.218 488 P C 1.084 178.358 177.300 -0.043 0.000 1.147 488 P CA 1.347 64.433 63.100 -0.022 0.000 0.827 488 P CB -0.017 31.674 31.700 -0.015 0.000 0.778 489 E N -0.990 119.180 120.200 -0.050 0.000 2.219 489 E HA 0.013 4.362 4.350 -0.002 0.000 0.198 489 E C 1.156 177.671 176.600 -0.141 0.000 0.998 489 E CA 1.250 57.602 56.400 -0.080 0.000 0.818 489 E CB -0.366 29.296 29.700 -0.063 0.000 0.741 489 E HN 0.300 nan 8.360 nan 0.000 0.477 490 G N -2.411 106.309 108.800 -0.134 0.000 2.316 490 G HA2 -0.042 3.917 3.960 -0.002 0.000 0.349 490 G HA3 -0.042 3.917 3.960 -0.002 0.000 0.349 490 G C -1.356 173.412 174.900 -0.220 0.000 1.274 490 G CA -0.607 44.368 45.100 -0.207 0.000 1.018 490 G HN 0.139 nan 8.290 nan 0.000 0.486 491 c N -1.652 116.741 118.600 -0.345 0.000 2.782 491 c HA 0.616 5.184 4.570 -0.002 0.000 0.328 491 c C -0.028 173.759 174.090 -0.505 0.000 1.145 491 c CA -0.509 55.642 56.329 -0.295 0.000 1.358 491 c CB 1.300 43.690 42.510 -0.200 0.000 1.841 491 c HN 0.749 nan 8.230 nan 0.000 0.477 492 W N 2.192 123.403 121.300 -0.149 0.000 3.239 492 W HA 0.494 5.153 4.660 -0.002 0.000 0.368 492 W C 1.072 177.468 176.519 -0.205 0.000 1.154 492 W CA 0.610 57.886 57.345 -0.114 0.000 1.860 492 W CB 0.361 29.779 29.460 -0.070 0.000 1.094 492 W HN 1.109 nan 8.180 nan 0.000 0.643 493 G N -0.240 108.328 108.800 -0.387 0.000 2.344 493 G HA2 0.040 3.998 3.960 -0.002 0.000 0.282 493 G HA3 0.040 3.998 3.960 -0.002 0.000 0.282 493 G C -2.438 171.878 174.900 -0.972 0.000 1.281 493 G CA -0.385 44.201 45.100 -0.857 0.000 0.877 493 G HN -0.346 nan 8.290 nan 0.000 0.494 494 P HA 0.151 nan 4.420 nan 0.000 0.222 494 P C 0.380 177.667 177.300 -0.022 0.000 1.157 494 P CA 0.743 63.717 63.100 -0.210 0.000 0.816 494 P CB 0.237 31.939 31.700 0.003 0.000 0.813 495 E N 0.363 120.545 120.200 -0.030 0.000 2.410 495 E HA 0.055 4.404 4.350 -0.002 0.000 0.255 495 E C -1.614 174.949 176.600 -0.062 0.000 1.194 495 E CA -1.499 54.906 56.400 0.008 0.000 0.955 495 E CB -0.354 29.348 29.700 0.004 0.000 0.988 495 E HN 0.111 nan 8.360 nan 0.000 0.461 496 P HA -0.065 nan 4.420 nan 0.000 0.222 496 P C 1.162 178.382 177.300 -0.134 0.000 1.153 496 P CA 1.480 64.401 63.100 -0.299 0.000 0.798 496 P CB 0.078 31.538 31.700 -0.400 0.000 0.796 497 R N 0.595 121.050 120.500 -0.074 0.000 2.355 497 R HA -0.112 4.226 4.340 -0.002 0.000 0.219 497 R C 1.394 177.694 176.300 0.000 0.000 1.107 497 R CA 1.614 57.695 56.100 -0.032 0.000 1.021 497 R CB -1.896 28.398 30.300 -0.010 0.000 0.852 497 R HN 0.281 nan 8.270 nan 0.000 0.475 498 D N -1.197 119.206 120.400 0.005 0.000 2.431 498 D HA 0.132 4.771 4.640 -0.002 0.000 0.213 498 D C -0.427 175.931 176.300 0.097 0.000 1.130 498 D CA -0.093 53.948 54.000 0.069 0.000 0.834 498 D CB -0.031 40.784 40.800 0.024 0.000 0.985 498 D HN 0.466 nan 8.370 nan 0.000 0.504 499 c N 0.600 119.224 118.600 0.040 0.000 2.534 499 c HA 0.168 4.736 4.570 -0.002 0.000 0.385 499 c C 2.380 176.517 174.090 0.078 0.000 1.264 499 c CA -0.791 55.552 56.329 0.023 0.000 2.342 499 c CB 1.542 44.044 42.510 -0.013 0.000 2.564 499 c HN 0.056 nan 8.230 nan 0.000 0.603 500 V N 2.027 121.966 119.914 0.042 0.000 2.358 500 V HA -0.026 4.092 4.120 -0.002 0.000 0.246 500 V C 1.123 177.235 176.094 0.030 0.000 1.047 500 V CA 2.242 64.586 62.300 0.074 0.000 1.035 500 V CB -0.187 31.634 31.823 -0.003 0.000 0.658 500 V HN 1.057 nan 8.190 nan 0.000 0.452 501 S N -2.881 112.819 115.700 0.000 0.000 2.596 501 S HA 0.423 4.891 4.470 -0.002 0.000 0.270 501 S C -1.031 173.561 174.600 -0.013 0.000 1.155 501 S CA -0.925 57.271 58.200 -0.007 0.000 0.827 501 S CB 1.435 64.630 63.200 -0.009 0.000 1.130 501 S HN 0.117 nan 8.310 nan 0.000 0.467 502 c N 2.123 120.714 118.600 -0.015 0.000 2.365 502 c HA 0.602 5.170 4.570 -0.002 0.000 0.351 502 c C 2.221 176.305 174.090 -0.010 0.000 1.240 502 c CA -0.534 55.785 56.329 -0.017 0.000 2.062 502 c CB 0.796 43.291 42.510 -0.024 0.000 2.387 502 c HN 1.185 nan 8.230 nan 0.000 0.537 503 R N 2.362 122.859 120.500 -0.004 0.000 2.066 503 R HA -0.063 4.275 4.340 -0.002 0.000 0.232 503 R C 1.008 177.308 176.300 0.000 0.000 1.131 503 R CA 1.801 57.902 56.100 0.002 0.000 0.955 503 R CB -0.105 30.203 30.300 0.013 0.000 0.851 503 R HN 0.693 nan 8.270 nan 0.000 0.432 504 N N -0.191 118.508 118.700 -0.002 0.000 2.648 504 N HA 0.182 4.921 4.740 -0.002 0.000 0.234 504 N C -0.582 174.920 175.510 -0.013 0.000 1.034 504 N CA 0.949 53.996 53.050 -0.004 0.000 1.205 504 N CB 0.514 39.000 38.487 -0.000 0.000 1.573 504 N HN 0.063 nan 8.380 nan 0.000 0.615 505 V N 0.557 120.459 119.914 -0.020 0.000 2.841 505 V HA 0.537 4.655 4.120 -0.002 0.000 0.310 505 V C -0.670 175.401 176.094 -0.040 0.000 1.090 505 V CA -1.159 61.123 62.300 -0.030 0.000 0.930 505 V CB 1.712 33.515 31.823 -0.032 0.000 1.014 505 V HN 0.309 nan 8.190 nan 0.000 0.425 506 S N 2.632 118.305 115.700 -0.045 0.000 2.525 506 S HA 0.671 5.140 4.470 -0.002 0.000 0.278 506 S C -0.179 174.384 174.600 -0.061 0.000 1.234 506 S CA -0.801 57.369 58.200 -0.050 0.000 1.058 506 S CB 1.312 64.485 63.200 -0.046 0.000 0.983 506 S HN 0.853 nan 8.310 nan 0.000 0.495 507 R N 1.274 121.739 120.500 -0.060 0.000 2.332 507 R HA 0.497 4.836 4.340 -0.002 0.000 0.306 507 R C 1.199 177.464 176.300 -0.058 0.000 1.117 507 R CA 0.453 56.515 56.100 -0.064 0.000 1.108 507 R CB -0.510 29.755 30.300 -0.057 0.000 1.126 507 R HN 1.084 nan 8.270 nan 0.000 0.548 508 G N 4.387 113.151 108.800 -0.060 0.000 3.163 508 G HA2 -0.435 3.523 3.960 -0.002 0.000 0.227 508 G HA3 -0.435 3.523 3.960 -0.002 0.000 0.227 508 G C 0.809 175.682 174.900 -0.044 0.000 1.300 508 G CA 0.761 45.831 45.100 -0.051 0.000 0.867 508 G HN 0.625 nan 8.290 nan 0.000 0.533 509 R N -0.131 120.342 120.500 -0.044 0.000 2.570 509 R HA 0.286 4.625 4.340 -0.002 0.000 0.203 509 R C 0.354 176.628 176.300 -0.043 0.000 0.968 509 R CA 0.460 56.535 56.100 -0.041 0.000 1.514 509 R CB 0.495 30.771 30.300 -0.040 0.000 1.719 509 R HN 0.481 nan 8.270 nan 0.000 0.503 510 E N 1.406 121.576 120.200 -0.050 0.000 2.222 510 E HA 0.437 4.785 4.350 -0.002 0.000 0.272 510 E C -0.905 175.652 176.600 -0.072 0.000 0.982 510 E CA -0.619 55.743 56.400 -0.064 0.000 0.842 510 E CB 2.126 31.787 29.700 -0.064 0.000 1.144 510 E HN 0.151 nan 8.360 nan 0.000 0.397 511 c N 2.184 120.726 118.600 -0.097 0.000 2.405 511 c HA 0.663 5.232 4.570 -0.002 0.000 0.365 511 c C -0.020 174.008 174.090 -0.105 0.000 1.233 511 c CA -0.572 55.700 56.329 -0.094 0.000 2.230 511 c CB 0.373 42.826 42.510 -0.095 0.000 2.443 511 c HN 0.424 nan 8.230 nan 0.000 0.556 512 V N 1.668 121.542 119.914 -0.067 0.000 3.188 512 V HA 0.322 4.440 4.120 -0.002 0.000 0.305 512 V C 0.214 176.294 176.094 -0.024 0.000 1.232 512 V CA -0.310 61.961 62.300 -0.048 0.000 1.043 512 V CB 2.152 33.948 31.823 -0.045 0.000 1.068 512 V HN 0.962 nan 8.190 nan 0.000 0.439 513 D N 0.425 120.818 120.400 -0.010 0.000 2.394 513 D HA 0.095 4.733 4.640 -0.002 0.000 0.237 513 D C 0.506 176.804 176.300 -0.004 0.000 1.028 513 D CA 0.500 54.501 54.000 0.001 0.000 0.937 513 D CB 0.560 41.366 40.800 0.011 0.000 1.072 513 D HN 0.308 nan 8.370 nan 0.000 0.457 514 K N 0.799 121.196 120.400 -0.005 0.000 2.110 514 K HA 0.274 4.593 4.320 -0.002 0.000 0.263 514 K C -0.627 175.965 176.600 -0.013 0.000 0.975 514 K CA -0.546 55.738 56.287 -0.005 0.000 0.895 514 K CB 1.973 34.472 32.500 -0.000 0.000 1.060 514 K HN 0.166 nan 8.250 nan 0.000 0.448 515 c N 1.740 120.331 118.600 -0.014 0.000 2.403 515 c HA 0.259 4.828 4.570 -0.002 0.000 0.361 515 c C 0.792 174.876 174.090 -0.010 0.000 1.274 515 c CA -0.514 55.801 56.329 -0.023 0.000 2.433 515 c CB 0.105 42.595 42.510 -0.034 0.000 2.323 515 c HN 0.677 nan 8.230 nan 0.000 0.614 516 K N 1.705 122.099 120.400 -0.010 0.000 3.192 516 K HA 0.166 4.485 4.320 -0.002 0.000 0.269 516 K C 0.957 177.566 176.600 0.015 0.000 1.270 516 K CA -0.035 56.252 56.287 0.001 0.000 1.249 516 K CB -0.157 32.342 32.500 -0.003 0.000 1.528 516 K HN 0.536 nan 8.250 nan 0.000 0.360 517 L N -0.020 121.215 121.223 0.020 0.000 1.994 517 L HA -0.172 4.166 4.340 -0.002 0.000 0.208 517 L C 1.625 178.511 176.870 0.027 0.000 1.071 517 L CA 1.506 56.366 54.840 0.033 0.000 0.745 517 L CB -0.196 41.883 42.059 0.033 0.000 0.892 517 L HN 0.429 nan 8.230 nan 0.000 0.431 518 L N -1.417 119.817 121.223 0.018 0.000 2.766 518 L HA 0.134 4.473 4.340 -0.002 0.000 0.242 518 L C 1.563 178.439 176.870 0.010 0.000 1.136 518 L CA 0.129 54.977 54.840 0.014 0.000 0.933 518 L CB 0.194 42.260 42.059 0.011 0.000 1.241 518 L HN 0.360 nan 8.230 nan 0.000 0.522 519 E N 0.660 120.865 120.200 0.009 0.000 2.671 519 E HA 0.072 4.421 4.350 -0.002 0.000 0.204 519 E C 0.646 177.249 176.600 0.004 0.000 0.940 519 E CA 0.124 56.527 56.400 0.006 0.000 1.328 519 E CB 0.489 30.192 29.700 0.005 0.000 1.214 519 E HN 0.138 nan 8.360 nan 0.000 0.624 520 G N 1.452 110.255 108.800 0.005 0.000 2.684 520 G HA2 0.004 3.963 3.960 -0.002 0.000 0.255 520 G HA3 0.004 3.963 3.960 -0.002 0.000 0.255 520 G C 0.622 175.523 174.900 0.001 0.000 1.219 520 G CA -0.074 45.027 45.100 0.002 0.000 0.901 520 G HN 0.121 nan 8.290 nan 0.000 0.548 521 E N 0.335 120.534 120.200 -0.002 0.000 1.983 521 E HA -0.091 4.258 4.350 -0.002 0.000 0.208 521 E C -1.089 175.511 176.600 -0.001 0.000 1.006 521 E CA 0.966 57.364 56.400 -0.003 0.000 0.872 521 E CB -1.201 28.495 29.700 -0.006 0.000 0.806 521 E HN 0.368 nan 8.360 nan 0.000 0.510 522 P HA 0.167 nan 4.420 nan 0.000 0.278 522 P C -0.307 176.999 177.300 0.010 0.000 1.258 522 P CA -0.077 63.025 63.100 0.004 0.000 0.811 522 P CB 0.688 32.389 31.700 0.000 0.000 1.063 523 R N 1.002 121.516 120.500 0.023 0.000 2.543 523 R HA 0.476 4.815 4.340 -0.002 0.000 0.268 523 R C 0.240 176.572 176.300 0.053 0.000 1.067 523 R CA -0.317 55.804 56.100 0.034 0.000 1.142 523 R CB 0.615 30.939 30.300 0.040 0.000 1.110 523 R HN 0.578 nan 8.270 nan 0.000 0.549 524 E N 0.413 120.649 120.200 0.060 0.000 2.369 524 E HA 0.369 4.718 4.350 -0.002 0.000 0.270 524 E C -0.934 175.759 176.600 0.155 0.000 0.909 524 E CA -0.670 55.764 56.400 0.056 0.000 0.775 524 E CB 1.998 31.681 29.700 -0.029 0.000 1.270 524 E HN 0.405 nan 8.360 nan 0.000 0.445 525 F N -0.752 119.202 119.950 0.006 0.000 2.572 525 F HA 0.766 5.291 4.527 -0.002 0.000 0.342 525 F C -0.551 175.251 175.800 0.003 0.000 1.064 525 F CA -1.195 56.808 58.000 0.005 0.000 1.008 525 F CB 0.527 39.531 39.000 0.007 0.000 1.303 525 F HN 0.144 nan 8.300 nan 0.000 0.492 526 V N -0.255 119.690 119.914 0.052 0.000 2.513 526 V HA 0.663 4.781 4.120 -0.002 0.000 0.299 526 V C -0.951 175.183 176.094 0.067 0.000 1.035 526 V CA -0.640 61.628 62.300 -0.054 0.000 0.889 526 V CB 1.156 32.983 31.823 0.007 0.000 0.988 526 V HN 1.027 nan 8.190 nan 0.000 0.440 527 E N 4.149 124.329 120.200 -0.033 0.000 2.294 527 E HA 0.322 4.670 4.350 -0.002 0.000 0.272 527 E C -0.341 176.266 176.600 0.011 0.000 0.896 527 E CA -0.705 55.739 56.400 0.073 0.000 0.802 527 E CB 1.209 31.035 29.700 0.209 0.000 1.267 527 E HN 0.855 nan 8.360 nan 0.000 0.406 528 N N 3.234 121.948 118.700 0.023 0.000 2.746 528 N HA -0.239 4.499 4.740 -0.002 0.000 0.250 528 N C -0.279 175.225 175.510 -0.011 0.000 1.055 528 N CA 1.573 54.628 53.050 0.007 0.000 0.699 528 N CB -1.702 36.790 38.487 0.008 0.000 0.919 528 N HN 0.990 nan 8.380 nan 0.000 0.548 529 S N -1.998 113.695 115.700 -0.011 0.000 3.462 529 S HA -0.299 4.169 4.470 -0.002 0.000 0.370 529 S C -0.005 174.570 174.600 -0.041 0.000 1.028 529 S CA 1.837 60.024 58.200 -0.021 0.000 1.119 529 S CB -1.489 61.704 63.200 -0.013 0.000 0.906 529 S HN 0.661 nan 8.310 nan 0.000 0.471 530 E N -0.688 119.473 120.200 -0.066 0.000 2.263 530 E HA 0.601 4.950 4.350 -0.002 0.000 0.264 530 E C -0.761 175.748 176.600 -0.152 0.000 0.923 530 E CA -0.852 55.490 56.400 -0.096 0.000 0.802 530 E CB 1.753 31.393 29.700 -0.099 0.000 1.228 530 E HN 0.428 nan 8.360 nan 0.000 0.417 531 c N 3.045 121.552 118.600 -0.154 0.000 2.239 531 c HA 0.487 5.055 4.570 -0.002 0.000 0.323 531 c C -0.252 173.690 174.090 -0.247 0.000 1.205 531 c CA -0.668 55.545 56.329 -0.193 0.000 1.584 531 c CB -1.373 41.066 42.510 -0.117 0.000 2.201 531 c HN 0.484 nan 8.230 nan 0.000 0.475 532 I N 2.630 122.931 120.570 -0.447 0.000 2.377 532 I HA 0.287 4.455 4.170 -0.002 0.000 0.293 532 I C 0.432 176.376 176.117 -0.288 0.000 0.987 532 I CA -0.026 61.020 61.300 -0.423 0.000 1.185 532 I CB 0.992 38.607 38.000 -0.641 0.000 1.341 532 I HN 0.602 nan 8.210 nan 0.000 0.455 533 Q N 3.555 123.300 119.800 -0.093 0.000 2.395 533 Q HA 0.141 4.480 4.340 -0.002 0.000 0.271 533 Q C -0.782 175.293 176.000 0.126 0.000 1.026 533 Q CA -0.124 55.682 55.803 0.006 0.000 0.900 533 Q CB 0.728 29.466 28.738 0.000 0.000 1.266 533 Q HN 0.702 nan 8.270 nan 0.000 0.430 534 c N 2.628 121.314 118.600 0.143 0.000 2.604 534 c HA 0.126 4.694 4.570 -0.002 0.000 0.396 534 c C 0.398 174.579 174.090 0.152 0.000 1.282 534 c CA -0.379 56.064 56.329 0.190 0.000 2.292 534 c CB -0.316 42.281 42.510 0.144 0.000 2.633 534 c HN 0.892 nan 8.230 nan 0.000 0.620 535 H N 2.582 121.696 119.070 0.074 0.000 2.848 535 H HA 0.136 4.691 4.556 -0.002 0.000 0.341 535 H C -1.680 173.669 175.328 0.036 0.000 1.060 535 H CA -0.743 55.335 56.048 0.049 0.000 1.444 535 H CB 0.735 30.519 29.762 0.037 0.000 1.446 535 H HN 0.387 nan 8.280 nan 0.000 0.583 536 P HA -0.124 nan 4.420 nan 0.000 0.234 536 P C 0.174 177.577 177.300 0.170 0.000 1.162 536 P CA 1.003 64.099 63.100 -0.007 0.000 0.759 536 P CB 0.259 31.887 31.700 -0.120 0.000 0.813 537 E N -2.060 118.383 120.200 0.405 0.000 2.490 537 E HA 0.059 4.408 4.350 -0.002 0.000 0.209 537 E C 0.169 176.813 176.600 0.074 0.000 0.971 537 E CA 0.108 56.649 56.400 0.235 0.000 0.988 537 E CB -0.175 29.679 29.700 0.257 0.000 1.029 537 E HN 0.204 nan 8.360 nan 0.000 0.496 538 c N 2.793 121.448 118.600 0.093 0.000 2.648 538 c HA 0.088 4.657 4.570 -0.002 0.000 0.406 538 c C 0.777 174.856 174.090 -0.018 0.000 1.406 538 c CA -0.983 55.359 56.329 0.021 0.000 1.610 538 c CB -1.260 41.277 42.510 0.045 0.000 2.451 538 c HN 0.214 nan 8.230 nan 0.000 0.608 539 L N 7.609 128.795 121.223 -0.061 0.000 2.433 539 L HA 0.302 4.641 4.340 -0.002 0.000 0.275 539 L C -2.026 174.818 176.870 -0.043 0.000 1.128 539 L CA -2.067 52.725 54.840 -0.081 0.000 0.875 539 L CB -0.145 41.847 42.059 -0.113 0.000 1.171 539 L HN 0.453 nan 8.230 nan 0.000 0.463 540 P HA -0.046 nan 4.420 nan 0.000 0.260 540 P C -1.117 176.173 177.300 -0.017 0.000 1.172 540 P CA 0.302 63.393 63.100 -0.014 0.000 0.760 540 P CB 0.233 31.926 31.700 -0.012 0.000 0.773 541 Q N 2.321 122.116 119.800 -0.008 0.000 2.331 541 Q HA 0.414 4.753 4.340 -0.002 0.000 0.257 541 Q C 0.065 176.063 176.000 -0.004 0.000 0.957 541 Q CA -0.566 55.232 55.803 -0.008 0.000 0.923 541 Q CB 1.368 30.103 28.738 -0.006 0.000 1.212 541 Q HN 0.451 nan 8.270 nan 0.000 0.443 542 A N 4.433 127.250 122.820 -0.005 0.000 2.553 542 A HA 0.040 4.358 4.320 -0.002 0.000 0.258 542 A C 0.941 178.525 177.584 0.000 0.000 1.069 542 A CA 0.295 52.331 52.037 -0.002 0.000 0.767 542 A CB -0.278 18.720 19.000 -0.003 0.000 0.997 542 A HN 1.001 nan 8.150 nan 0.000 0.512 543 M N -0.085 119.516 119.600 0.003 0.000 2.856 543 M HA -0.217 4.262 4.480 -0.002 0.000 0.189 543 M C -0.278 176.025 176.300 0.005 0.000 0.612 543 M CA 0.976 56.279 55.300 0.004 0.000 0.673 543 M CB -1.896 30.706 32.600 0.003 0.000 2.440 543 M HN 0.857 nan 8.290 nan 0.000 0.437 544 N N -0.378 118.325 118.700 0.005 0.000 2.647 544 N HA 0.596 5.335 4.740 -0.002 0.000 0.266 544 N C -0.993 174.523 175.510 0.010 0.000 1.373 544 N CA -0.656 52.398 53.050 0.006 0.000 0.807 544 N CB 1.242 39.730 38.487 0.002 0.000 1.513 544 N HN 0.112 nan 8.380 nan 0.000 0.505 545 I N 0.484 121.061 120.570 0.012 0.000 2.692 545 I HA -0.020 4.149 4.170 -0.002 0.000 0.284 545 I C 1.462 177.588 176.117 0.015 0.000 1.159 545 I CA 0.903 62.215 61.300 0.020 0.000 1.423 545 I CB 0.658 38.670 38.000 0.021 0.000 1.380 545 I HN 0.546 nan 8.210 nan 0.000 0.580 546 T N 4.485 119.055 114.554 0.026 0.000 3.040 546 T HA 0.112 4.461 4.350 -0.002 0.000 0.252 546 T C -0.032 174.678 174.700 0.016 0.000 1.064 546 T CA 0.614 62.726 62.100 0.020 0.000 1.110 546 T CB -0.090 68.796 68.868 0.029 0.000 0.921 546 T HN 0.793 nan 8.240 nan 0.000 0.480 547 c N 0.202 118.815 118.600 0.021 0.000 3.321 547 c HA 0.748 5.317 4.570 -0.002 0.000 0.329 547 c C 0.610 174.657 174.090 -0.072 0.000 1.394 547 c CA -0.227 56.092 56.329 -0.016 0.000 1.291 547 c CB 1.166 43.689 42.510 0.020 0.000 1.606 547 c HN 0.260 nan 8.230 nan 0.000 0.463 548 T N -1.838 112.607 114.554 -0.181 0.000 3.337 548 T HA 0.666 5.014 4.350 -0.002 0.000 0.299 548 T C 0.430 174.832 174.700 -0.497 0.000 0.998 548 T CA 0.651 62.603 62.100 -0.247 0.000 0.948 548 T CB -0.245 68.535 68.868 -0.148 0.000 1.170 548 T HN 2.646 nan 8.240 nan 0.000 0.508 549 G N 0.702 108.983 108.800 -0.866 0.000 2.327 549 G HA2 0.417 4.376 3.960 -0.002 0.000 0.291 549 G HA3 0.417 4.376 3.960 -0.002 0.000 0.291 549 G C -1.554 172.902 174.900 -0.740 0.000 1.290 549 G CA -1.276 43.104 45.100 -1.201 0.000 0.857 549 G HN 0.364 nan 8.290 nan 0.000 0.520 550 R N -0.374 119.968 120.500 -0.264 0.000 2.738 550 R HA 0.510 4.848 4.340 -0.002 0.000 0.268 550 R C 1.117 177.431 176.300 0.024 0.000 1.062 550 R CA 1.746 57.902 56.100 0.092 0.000 1.158 550 R CB 0.373 30.767 30.300 0.156 0.000 1.046 550 R HN 2.293 nan 8.270 nan 0.000 0.493 551 G N 2.455 111.316 108.800 0.103 0.000 2.855 551 G HA2 -0.190 3.768 3.960 -0.002 0.000 0.352 551 G HA3 -0.190 3.768 3.960 -0.002 0.000 0.352 551 G C -2.109 172.706 174.900 -0.142 0.000 1.415 551 G CA -0.557 44.566 45.100 0.039 0.000 0.871 551 G HN 0.545 nan 8.290 nan 0.000 0.543 552 P HA 0.206 nan 4.420 nan 0.000 0.249 552 P C 0.121 177.326 177.300 -0.158 0.000 1.229 552 P CA 1.004 63.831 63.100 -0.455 0.000 0.788 552 P CB 0.254 31.622 31.700 -0.554 0.000 1.072 553 D N -0.787 119.565 120.400 -0.079 0.000 2.755 553 D HA 0.134 4.773 4.640 -0.002 0.000 0.257 553 D C 0.471 176.734 176.300 -0.061 0.000 1.291 553 D CA 0.007 53.992 54.000 -0.025 0.000 0.836 553 D CB -0.399 40.422 40.800 0.036 0.000 1.059 553 D HN -0.003 nan 8.370 nan 0.000 0.486 554 N N -0.277 118.373 118.700 -0.083 0.000 2.116 554 N HA 0.057 4.795 4.740 -0.002 0.000 0.230 554 N C -0.577 174.883 175.510 -0.083 0.000 1.326 554 N CA -0.172 52.817 53.050 -0.102 0.000 0.867 554 N CB 0.729 39.127 38.487 -0.149 0.000 1.174 554 N HN 0.090 nan 8.380 nan 0.000 0.506 555 c N 1.245 119.808 118.600 -0.061 0.000 2.605 555 c HA 0.317 4.885 4.570 -0.002 0.000 0.404 555 c C 2.377 176.442 174.090 -0.042 0.000 1.284 555 c CA -0.633 55.672 56.329 -0.040 0.000 2.199 555 c CB 0.264 42.752 42.510 -0.037 0.000 2.647 555 c HN 0.275 nan 8.230 nan 0.000 0.604 556 I N 0.928 121.478 120.570 -0.033 0.000 2.617 556 I HA -0.010 4.159 4.170 -0.002 0.000 0.256 556 I C 0.937 177.035 176.117 -0.032 0.000 1.167 556 I CA 1.508 62.789 61.300 -0.031 0.000 1.469 556 I CB -0.742 37.244 38.000 -0.023 0.000 1.098 556 I HN 0.775 nan 8.210 nan 0.000 0.436 557 Q N -0.413 119.365 119.800 -0.037 0.000 2.403 557 Q HA 0.251 4.590 4.340 -0.002 0.000 0.267 557 Q C -1.568 174.395 176.000 -0.062 0.000 0.991 557 Q CA -0.515 55.261 55.803 -0.045 0.000 0.906 557 Q CB 2.320 31.031 28.738 -0.045 0.000 1.422 557 Q HN 0.139 nan 8.270 nan 0.000 0.400 558 c N 2.326 120.883 118.600 -0.071 0.000 2.536 558 c HA 0.542 5.111 4.570 -0.002 0.000 0.396 558 c C 1.766 175.742 174.090 -0.190 0.000 1.279 558 c CA 0.219 56.492 56.329 -0.094 0.000 2.148 558 c CB 0.258 42.733 42.510 -0.059 0.000 2.584 558 c HN 0.998 nan 8.230 nan 0.000 0.579 559 A N 1.445 124.107 122.820 -0.264 0.000 1.968 559 A HA -0.068 4.251 4.320 -0.002 0.000 0.217 559 A C 1.723 178.809 177.584 -0.831 0.000 1.169 559 A CA 1.522 53.238 52.037 -0.534 0.000 0.638 559 A CB -0.315 18.311 19.000 -0.625 0.000 0.812 559 A HN 0.994 nan 8.150 nan 0.000 0.446 560 H N -3.572 115.327 119.070 -0.284 0.000 3.699 560 H HA 0.353 4.907 4.556 -0.002 0.000 0.154 560 H C -0.437 174.419 175.328 -0.788 0.000 1.184 560 H CA 0.277 55.975 56.048 -0.582 0.000 1.208 560 H CB 0.061 29.615 29.762 -0.347 0.000 1.363 560 H HN 0.413 nan 8.280 nan 0.000 0.384 561 Y N -0.136 120.230 120.300 0.110 0.000 2.545 561 Y HA 0.466 5.015 4.550 -0.003 0.000 0.348 561 Y C -0.467 175.466 175.900 0.055 0.000 1.002 561 Y CA -0.949 57.208 58.100 0.095 0.000 1.039 561 Y CB 2.096 40.622 38.460 0.110 0.000 1.271 561 Y HN -0.025 nan 8.280 nan 0.000 0.467 562 I N 1.851 122.543 120.570 0.204 0.000 2.354 562 I HA 0.294 4.463 4.170 -0.002 0.000 0.292 562 I C -1.052 175.064 176.117 -0.003 0.000 0.989 562 I CA -0.197 61.140 61.300 0.062 0.000 1.188 562 I CB 1.325 39.330 38.000 0.009 0.000 1.342 562 I HN 0.501 nan 8.210 nan 0.000 0.457 563 D N 5.246 125.628 120.400 -0.029 0.000 2.421 563 D HA 0.510 5.148 4.640 -0.002 0.000 0.254 563 D C 0.536 176.627 176.300 -0.349 0.000 1.238 563 D CA 0.526 54.497 54.000 -0.047 0.000 0.919 563 D CB 1.082 41.971 40.800 0.147 0.000 1.152 563 D HN 0.742 nan 8.370 nan 0.000 0.552 564 G N 4.933 113.241 108.800 -0.820 0.000 2.651 564 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.315 564 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.315 564 G C -1.486 172.989 174.900 -0.709 0.000 1.258 564 G CA 0.292 44.566 45.100 -1.378 0.000 1.002 564 G HN 0.557 nan 8.290 nan 0.000 0.551 565 P HA 0.271 nan 4.420 nan 0.000 0.261 565 P C -0.129 177.046 177.300 -0.207 0.000 1.352 565 P CA 0.219 63.083 63.100 -0.393 0.000 0.891 565 P CB 0.125 31.637 31.700 -0.314 0.000 1.383 566 H N -0.475 118.519 119.070 -0.127 0.000 2.472 566 H HA 0.281 4.835 4.556 -0.002 0.000 0.335 566 H C 0.063 175.355 175.328 -0.061 0.000 1.136 566 H CA -1.169 54.831 56.048 -0.080 0.000 1.264 566 H CB 0.568 30.316 29.762 -0.024 0.000 1.486 566 H HN -0.022 nan 8.280 nan 0.000 0.517 567 c N 3.165 121.799 118.600 0.056 0.000 2.330 567 c HA 0.524 5.092 4.570 -0.002 0.000 0.344 567 c C 0.561 174.704 174.090 0.089 0.000 1.273 567 c CA -0.751 55.605 56.329 0.045 0.000 1.879 567 c CB -0.321 42.183 42.510 -0.010 0.000 2.376 567 c HN 0.614 nan 8.230 nan 0.000 0.534 568 V N 1.952 121.962 119.914 0.161 0.000 2.914 568 V HA 0.637 4.755 4.120 -0.002 0.000 0.314 568 V C 0.501 176.752 176.094 0.261 0.000 1.084 568 V CA -0.783 61.632 62.300 0.192 0.000 0.963 568 V CB 1.856 33.785 31.823 0.177 0.000 1.025 568 V HN 0.691 nan 8.190 nan 0.000 0.432 569 K N 2.039 122.558 120.400 0.198 0.000 2.097 569 K HA 0.073 4.391 4.320 -0.002 0.000 0.205 569 K C 0.754 177.478 176.600 0.208 0.000 1.050 569 K CA 2.120 58.462 56.287 0.091 0.000 0.938 569 K CB -0.284 32.214 32.500 -0.004 0.000 0.718 569 K HN 1.163 nan 8.250 nan 0.000 0.442 570 T N -2.999 111.677 114.554 0.204 0.000 2.900 570 T HA 0.404 4.752 4.350 -0.002 0.000 0.303 570 T C -0.431 174.264 174.700 -0.008 0.000 1.142 570 T CA -1.065 61.102 62.100 0.111 0.000 1.007 570 T CB 0.870 69.752 68.868 0.023 0.000 1.156 570 T HN 0.024 nan 8.240 nan 0.000 0.490 571 c N 3.025 121.487 118.600 -0.229 0.000 2.676 571 c HA 0.369 4.938 4.570 -0.002 0.000 0.416 571 c C -1.844 172.171 174.090 -0.125 0.000 1.299 571 c CA -0.466 55.759 56.329 -0.172 0.000 2.048 571 c CB -0.543 41.820 42.510 -0.244 0.000 2.713 571 c HN 0.684 nan 8.230 nan 0.000 0.624 572 P HA 0.197 nan 4.420 nan 0.000 0.260 572 P C -0.821 176.325 177.300 -0.258 0.000 1.185 572 P CA 0.793 63.731 63.100 -0.270 0.000 0.763 572 P CB 0.218 31.633 31.700 -0.475 0.000 0.776 573 A N 3.860 126.489 122.820 -0.318 0.000 2.586 573 A HA 0.587 4.906 4.320 -0.002 0.000 0.320 573 A C 0.881 177.853 177.584 -1.020 0.000 1.281 573 A CA -0.038 51.764 52.037 -0.392 0.000 0.775 573 A CB -0.315 18.669 19.000 -0.027 0.000 1.122 573 A HN 0.728 nan 8.150 nan 0.000 0.470 574 G N 1.173 108.773 108.800 -1.999 0.000 2.248 574 G HA2 -0.062 3.897 3.960 -0.002 0.000 0.263 574 G HA3 -0.062 3.897 3.960 -0.002 0.000 0.263 574 G C -0.000 174.439 174.900 -0.768 0.000 1.082 574 G CA 0.058 44.091 45.100 -1.779 0.000 0.863 574 G HN 1.445 nan 8.290 nan 0.000 0.495 575 V N -0.304 119.223 119.914 -0.644 0.000 2.863 575 V HA 0.736 4.854 4.120 -0.002 0.000 0.307 575 V C 1.018 176.955 176.094 -0.261 0.000 1.061 575 V CA -1.012 61.063 62.300 -0.375 0.000 1.024 575 V CB 1.677 33.272 31.823 -0.381 0.000 1.049 575 V HN 0.406 nan 8.190 nan 0.000 0.471 576 M N 2.797 122.308 119.600 -0.147 0.000 2.228 576 M HA 0.543 5.021 4.480 -0.002 0.000 0.351 576 M C 0.382 176.664 176.300 -0.030 0.000 1.233 576 M CA 0.567 55.816 55.300 -0.086 0.000 1.129 576 M CB 0.443 33.003 32.600 -0.067 0.000 1.604 576 M HN 0.946 nan 8.290 nan 0.000 0.457 577 G N 2.615 111.403 108.800 -0.020 0.000 3.013 577 G HA2 0.473 4.432 3.960 -0.002 0.000 0.278 577 G HA3 0.473 4.432 3.960 -0.002 0.000 0.278 577 G C -1.257 173.644 174.900 0.001 0.000 1.353 577 G CA -0.745 44.366 45.100 0.018 0.000 1.043 577 G HN 0.637 nan 8.290 nan 0.000 0.523 578 E N 1.431 121.631 120.200 -0.000 0.000 1.932 578 E HA 0.039 4.387 4.350 -0.002 0.000 0.275 578 E C 0.661 177.254 176.600 -0.013 0.000 1.159 578 E CA -0.051 56.339 56.400 -0.016 0.000 0.905 578 E CB 0.403 30.085 29.700 -0.030 0.000 1.059 578 E HN 0.492 nan 8.360 nan 0.000 0.400 579 N N 2.558 121.249 118.700 -0.014 0.000 2.016 579 N HA -0.321 4.417 4.740 -0.002 0.000 0.205 579 N C 0.881 176.389 175.510 -0.004 0.000 1.433 579 N CA 0.787 53.830 53.050 -0.011 0.000 0.798 579 N CB 0.102 38.581 38.487 -0.012 0.000 0.868 579 N HN 0.546 nan 8.380 nan 0.000 0.437 580 N N -1.897 116.801 118.700 -0.003 0.000 2.877 580 N HA -0.200 4.539 4.740 -0.002 0.000 0.232 580 N C -1.007 174.508 175.510 0.009 0.000 0.895 580 N CA 2.095 55.146 53.050 0.002 0.000 1.077 580 N CB -0.728 37.761 38.487 0.003 0.000 1.054 580 N HN 0.640 nan 8.380 nan 0.000 0.619 581 T N -1.367 113.193 114.554 0.010 0.000 2.718 581 T HA 0.529 4.877 4.350 -0.002 0.000 0.306 581 T C -0.574 174.128 174.700 0.004 0.000 1.485 581 T CA -0.818 61.297 62.100 0.024 0.000 0.997 581 T CB 1.489 70.390 68.868 0.055 0.000 1.504 581 T HN 0.048 nan 8.240 nan 0.000 0.497 582 L N 1.386 122.614 121.223 0.008 0.000 2.312 582 L HA 0.569 4.908 4.340 -0.002 0.000 0.281 582 L C 0.030 176.809 176.870 -0.152 0.000 1.070 582 L CA -1.051 53.714 54.840 -0.124 0.000 0.805 582 L CB 0.880 42.809 42.059 -0.215 0.000 1.174 582 L HN 0.401 nan 8.230 nan 0.000 0.434 583 V N 1.672 121.434 119.914 -0.253 0.000 2.572 583 V HA 0.077 4.196 4.120 -0.002 0.000 0.291 583 V C -0.709 175.155 176.094 -0.384 0.000 1.039 583 V CA -0.042 62.129 62.300 -0.214 0.000 1.055 583 V CB 0.168 31.836 31.823 -0.257 0.000 0.969 583 V HN 0.602 nan 8.190 nan 0.000 0.482 584 W N 4.151 125.420 121.300 -0.052 0.000 2.900 584 W HA 0.632 5.290 4.660 -0.003 0.000 0.336 584 W C -0.130 176.398 176.519 0.015 0.000 1.064 584 W CA -0.707 56.623 57.345 -0.024 0.000 1.237 584 W CB 1.744 31.217 29.460 0.021 0.000 1.391 584 W HN 0.372 nan 8.180 nan 0.000 0.468 585 K N 2.294 122.832 120.400 0.228 0.000 2.350 585 K HA 0.615 4.933 4.320 -0.002 0.000 0.241 585 K C -1.069 175.646 176.600 0.191 0.000 0.994 585 K CA -1.218 55.160 56.287 0.152 0.000 0.839 585 K CB 2.557 35.047 32.500 -0.016 0.000 1.244 585 K HN 0.511 nan 8.250 nan 0.000 0.443 586 Y N -1.723 118.638 120.300 0.102 0.000 2.602 586 Y HA 0.781 5.329 4.550 -0.003 0.000 0.330 586 Y C -0.783 175.142 175.900 0.041 0.000 1.114 586 Y CA -1.457 56.679 58.100 0.060 0.000 1.182 586 Y CB 1.088 39.591 38.460 0.071 0.000 1.305 586 Y HN 0.538 nan 8.280 nan 0.000 0.502 587 A N 2.063 124.901 122.820 0.031 0.000 2.292 587 A HA 0.389 4.707 4.320 -0.002 0.000 0.319 587 A C -0.809 176.877 177.584 0.169 0.000 1.206 587 A CA -0.648 51.372 52.037 -0.029 0.000 0.835 587 A CB 0.049 19.042 19.000 -0.011 0.000 1.164 587 A HN 0.809 nan 8.150 nan 0.000 0.505 588 D N 1.999 122.469 120.400 0.117 0.000 2.329 588 D HA 0.341 4.979 4.640 -0.002 0.000 0.246 588 D C 1.111 177.441 176.300 0.051 0.000 1.111 588 D CA 0.090 54.222 54.000 0.220 0.000 0.941 588 D CB 1.292 42.254 40.800 0.271 0.000 1.169 588 D HN 0.415 nan 8.370 nan 0.000 0.441 589 A N 1.589 124.421 122.820 0.021 0.000 2.148 589 A HA -0.061 4.257 4.320 -0.002 0.000 0.222 589 A C 1.968 179.447 177.584 -0.175 0.000 1.161 589 A CA 1.836 53.814 52.037 -0.099 0.000 0.662 589 A CB -1.142 17.841 19.000 -0.028 0.000 0.799 589 A HN 0.737 nan 8.150 nan 0.000 0.466 590 G N -3.079 105.692 108.800 -0.048 0.000 2.920 590 G HA2 0.147 4.105 3.960 -0.002 0.000 0.208 590 G HA3 0.147 4.105 3.960 -0.002 0.000 0.208 590 G C 0.620 175.580 174.900 0.100 0.000 1.159 590 G CA 0.669 45.782 45.100 0.023 0.000 0.784 590 G HN 0.718 nan 8.290 nan 0.000 0.535 591 H N -2.052 117.106 119.070 0.147 0.000 3.237 591 H HA -0.150 4.404 4.556 -0.002 0.000 0.231 591 H C 0.248 175.684 175.328 0.180 0.000 1.148 591 H CA 0.735 56.921 56.048 0.231 0.000 1.155 591 H CB -2.156 27.698 29.762 0.153 0.000 1.210 591 H HN 0.255 nan 8.280 nan 0.000 0.317 592 V N 1.430 121.426 119.914 0.136 0.000 2.555 592 V HA 0.065 4.184 4.120 -0.002 0.000 0.286 592 V C 1.399 177.376 176.094 -0.196 0.000 1.044 592 V CA -0.102 62.179 62.300 -0.032 0.000 1.026 592 V CB 1.465 33.255 31.823 -0.056 0.000 0.981 592 V HN 0.341 nan 8.190 nan 0.000 0.480 593 c N 5.623 124.056 118.600 -0.278 0.000 2.527 593 c HA 0.465 5.033 4.570 -0.002 0.000 0.396 593 c C 0.195 173.917 174.090 -0.614 0.000 1.289 593 c CA -0.422 55.701 56.329 -0.344 0.000 2.047 593 c CB -1.038 41.379 42.510 -0.155 0.000 2.568 593 c HN 0.845 nan 8.230 nan 0.000 0.573 594 H N 1.866 120.671 119.070 -0.442 0.000 2.771 594 H HA 0.329 4.884 4.556 -0.002 0.000 0.361 594 H C -0.520 174.739 175.328 -0.115 0.000 1.108 594 H CA -0.562 55.315 56.048 -0.285 0.000 1.201 594 H CB 1.366 30.930 29.762 -0.329 0.000 1.681 594 H HN 0.534 nan 8.280 nan 0.000 0.534 595 L N 2.243 123.579 121.223 0.188 0.000 2.578 595 L HA -0.079 4.260 4.340 -0.002 0.000 0.279 595 L C 0.638 177.701 176.870 0.321 0.000 1.227 595 L CA 0.142 55.108 54.840 0.210 0.000 0.900 595 L CB 0.078 42.234 42.059 0.161 0.000 1.144 595 L HN 0.551 nan 8.230 nan 0.000 0.496 596 c N 2.290 121.091 118.600 0.334 0.000 2.745 596 c HA 0.011 4.579 4.570 -0.002 0.000 0.387 596 c C 0.870 175.098 174.090 0.231 0.000 1.312 596 c CA -0.600 55.920 56.329 0.319 0.000 2.204 596 c CB -0.394 42.275 42.510 0.266 0.000 2.686 596 c HN 0.683 nan 8.230 nan 0.000 0.705 597 H N 3.488 122.620 119.070 0.103 0.000 3.094 597 H HA 0.055 4.610 4.556 -0.003 0.000 0.320 597 H C -1.080 174.291 175.328 0.071 0.000 1.000 597 H CA -0.386 55.703 56.048 0.068 0.000 1.413 597 H CB 0.643 30.421 29.762 0.026 0.000 1.405 597 H HN 0.407 nan 8.280 nan 0.000 0.586 598 P HA -0.195 nan 4.420 nan 0.000 0.217 598 P C -0.025 177.257 177.300 -0.030 0.000 1.148 598 P CA 1.525 64.539 63.100 -0.143 0.000 0.828 598 P CB 0.179 31.756 31.700 -0.205 0.000 0.783 599 N N -1.350 117.384 118.700 0.057 0.000 2.485 599 N HA 0.025 4.764 4.740 -0.002 0.000 0.199 599 N C 1.149 176.780 175.510 0.202 0.000 1.236 599 N CA -0.510 52.661 53.050 0.202 0.000 0.852 599 N CB -0.246 38.428 38.487 0.312 0.000 1.018 599 N HN 0.183 nan 8.380 nan 0.000 0.457 600 c N -0.739 117.955 118.600 0.157 0.000 6.476 600 c HA 0.115 4.684 4.570 -0.002 0.000 0.265 600 c C 1.856 175.967 174.090 0.035 0.000 1.505 600 c CA 0.609 57.001 56.329 0.106 0.000 1.778 600 c CB -0.211 42.315 42.510 0.026 0.000 1.938 600 c HN 0.545 nan 8.230 nan 0.000 0.478 601 T N -1.731 112.743 114.554 -0.133 0.000 8.104 601 T HA -0.214 4.135 4.350 -0.002 0.000 0.307 601 T C 0.681 175.088 174.700 -0.489 0.000 2.074 601 T CA 1.856 63.813 62.100 -0.237 0.000 3.441 601 T CB -1.546 67.139 68.868 -0.304 0.000 1.575 601 T HN 0.518 nan 8.240 nan 0.000 0.821 602 Y N 1.749 121.818 120.300 -0.385 0.000 2.503 602 Y HA 0.452 5.000 4.550 -0.003 0.000 0.278 602 Y C 1.800 177.104 175.900 -0.993 0.000 1.111 602 Y CA 0.987 58.819 58.100 -0.448 0.000 1.270 602 Y CB 0.496 38.800 38.460 -0.260 0.000 1.063 602 Y HN 0.778 nan 8.280 nan 0.000 0.548 603 G N -0.635 107.474 108.800 -1.151 0.000 2.423 603 G HA2 0.115 4.073 3.960 -0.002 0.000 0.684 603 G HA3 0.115 4.073 3.960 -0.002 0.000 0.684 603 G C -1.031 173.618 174.900 -0.418 0.000 1.309 603 G CA -1.241 43.097 45.100 -1.270 0.000 0.950 603 G HN 0.636 nan 8.290 nan 0.000 0.587 604 c N -2.620 115.877 118.600 -0.171 0.000 3.285 604 c HA 0.949 5.517 4.570 -0.002 0.000 0.320 604 c C 1.196 175.290 174.090 0.006 0.000 1.411 604 c CA 0.620 56.912 56.329 -0.061 0.000 1.429 604 c CB 1.305 43.808 42.510 -0.012 0.000 1.812 604 c HN 1.655 nan 8.230 nan 0.000 0.454 605 T N -0.511 114.027 114.554 -0.026 0.000 3.043 605 T HA 0.626 4.974 4.350 -0.002 0.000 0.272 605 T C 0.545 175.209 174.700 -0.061 0.000 0.990 605 T CA 0.584 62.682 62.100 -0.003 0.000 0.897 605 T CB 0.400 69.255 68.868 -0.022 0.000 1.111 605 T HN 1.757 nan 8.240 nan 0.000 0.529 606 G N 1.975 110.630 108.800 -0.240 0.000 2.490 606 G HA2 0.582 4.541 3.960 -0.002 0.000 0.308 606 G HA3 0.582 4.541 3.960 -0.002 0.000 0.308 606 G C -3.317 171.040 174.900 -0.905 0.000 1.286 606 G CA -1.010 43.750 45.100 -0.567 0.000 0.825 606 G HN -0.064 nan 8.290 nan 0.000 0.479 607 P HA 0.489 nan 4.420 nan 0.000 0.276 607 P C 0.823 177.988 177.300 -0.225 0.000 1.244 607 P CA 1.224 64.016 63.100 -0.514 0.000 0.801 607 P CB 1.177 32.704 31.700 -0.289 0.000 1.006 608 G N 0.658 109.413 108.800 -0.074 0.000 2.692 608 G HA2 -0.298 3.660 3.960 -0.002 0.000 0.248 608 G HA3 -0.298 3.660 3.960 -0.002 0.000 0.248 608 G C 0.627 175.416 174.900 -0.184 0.000 1.340 608 G CA 0.103 45.161 45.100 -0.070 0.000 0.896 608 G HN 0.472 nan 8.290 nan 0.000 0.570 609 L N -0.526 120.492 121.223 -0.341 0.000 2.201 609 L HA 0.061 4.400 4.340 -0.002 0.000 0.212 609 L C 2.673 179.428 176.870 -0.191 0.000 1.105 609 L CA 1.984 56.615 54.840 -0.349 0.000 0.775 609 L CB -0.213 41.615 42.059 -0.384 0.000 0.913 609 L HN 0.709 nan 8.230 nan 0.000 0.440 610 E N -0.176 119.929 120.200 -0.159 0.000 2.333 610 E HA -0.127 4.222 4.350 -0.002 0.000 0.198 610 E C 2.012 178.538 176.600 -0.124 0.000 1.007 610 E CA 0.944 57.270 56.400 -0.124 0.000 0.845 610 E CB -0.204 29.431 29.700 -0.108 0.000 0.766 610 E HN 0.406 nan 8.360 nan 0.000 0.507 611 G N 0.119 108.834 108.800 -0.142 0.000 2.453 611 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.215 611 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.215 611 G C 0.581 175.416 174.900 -0.107 0.000 1.201 611 G CA 0.853 45.870 45.100 -0.138 0.000 0.784 611 G HN 0.463 nan 8.290 nan 0.000 0.545 612 c N 1.493 120.035 118.600 -0.097 0.000 2.281 612 c HA 0.673 5.242 4.570 -0.002 0.000 0.336 612 c C -2.418 171.603 174.090 -0.114 0.000 1.217 612 c CA -2.943 53.327 56.329 -0.099 0.000 1.730 612 c CB 0.979 43.449 42.510 -0.065 0.000 2.338 612 c HN 0.261 nan 8.230 nan 0.000 0.521 613 P HA 0.518 nan 4.420 nan 0.000 0.293 613 P C 0.716 177.914 177.300 -0.170 0.000 1.300 613 P CA 0.979 64.003 63.100 -0.128 0.000 0.792 613 P CB 0.604 32.240 31.700 -0.107 0.000 0.925 614 T N 0.000 114.460 114.554 -0.156 0.000 3.816 614 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 614 T CA 0.000 61.992 62.100 -0.179 0.000 1.349 614 T CB 0.000 68.790 68.868 -0.130 0.000 0.612 614 T HN 0.000 nan 8.240 nan 0.000 0.658