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 2fsh_1_B DATA FIRST_RESID 13 DATA SEQUENCE RNDRTLRRMR KVVNIINAME PEMEKLSDEE LKGKTAEFRA RLEKGEVLEN DATA SEQUENCE LIPEAFAVVR EASKRVFGMR HFDVQLLGGM VLNERCIAEM RTGEGKTLTA DATA SEQUENCE TLPAYLNALT GKGVHVVTVN DYLAQRDAEN NRPLFEFLGL TVGINLPGMP DATA SEQUENCE APAKREAYAA DITYGTNNEY GFDYLRDNMA FSPEERVQRK LHYALVDEVD DATA SEQUENCE SILIDEARTP LIISGPAEDS XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXVLI EELLVKEGIM DEGESLYSPA NIMLMHHVTA DATA SEQUENCE AXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXQNENQTL ASITFQNYFR LYEKLAGMTG TADTEAFEFS SIYKLDTVVV DATA SEQUENCE PTNRPMIRKD LPDLVYMTEA EKIQAIIEDI KERTAKGQPV LVGTISIEKS DATA SEQUENCE ELVSNELTKA GIKHNVLNAK FHANEAAIVA QAGYPAAVTI ATNMAGRGTD DATA SEQUENCE IVLGGSWQAE VAALENPTAE QIEKIKADWQ VRHDAVLEAG GLHIIGTERH DATA SEQUENCE ESRRIDNQLR GRSGRQGDAG SSRFYLSMED ALMRIFASDR VSGMMRKLGM DATA SEQUENCE KPGEAIEHPW VTKAIANAQR KVESRNFDIR KQLLEYDDVA NDQRRAIYSQ DATA SEQUENCE RNELLDVSDV SETINSIRED VFKATIDAYI PPQSLEEMWD IPGLQERLKN DATA SEQUENCE DFDLDLPIAE WLDKEPELHE ETLRERILAQ SIEVYQRKEE VVGAEMMRHF DATA SEQUENCE EKGVMLQTLD SLWKEHLAAM DYLRQGIHLR GYAQKDPKQE YKRESFSMFA DATA SEQUENCE AMLESLKYEV ISTLSKVQVR M 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.309 176.300 0.014 0.000 0.893 13 R CA 0.000 56.109 56.100 0.015 0.000 0.921 13 R CB 0.000 30.311 30.300 0.019 0.000 0.687 14 N N 1.179 119.888 118.700 0.016 0.000 2.188 14 N HA -0.122 4.620 4.740 0.004 0.000 0.184 14 N C 1.015 176.533 175.510 0.014 0.000 1.018 14 N CA 1.842 54.901 53.050 0.015 0.000 0.858 14 N CB -0.024 38.473 38.487 0.017 0.000 0.989 14 N HN 0.501 nan 8.380 nan 0.000 0.426 15 D N 0.342 120.751 120.400 0.014 0.000 2.117 15 D HA -0.208 4.434 4.640 0.004 0.000 0.197 15 D C 1.493 177.800 176.300 0.011 0.000 0.987 15 D CA 1.168 55.175 54.000 0.013 0.000 0.829 15 D CB -0.384 40.423 40.800 0.012 0.000 0.961 15 D HN 0.293 nan 8.370 nan 0.000 0.460 16 R N 0.180 120.686 120.500 0.010 0.000 2.093 16 R HA 0.014 4.356 4.340 0.004 0.000 0.224 16 R C 2.513 178.817 176.300 0.006 0.000 1.101 16 R CA 1.225 57.330 56.100 0.007 0.000 0.979 16 R CB -0.861 29.443 30.300 0.007 0.000 0.877 16 R HN 0.272 nan 8.270 nan 0.000 0.441 17 T N 2.376 116.934 114.554 0.007 0.000 2.652 17 T HA -0.088 4.264 4.350 0.004 0.000 0.267 17 T C 2.044 176.749 174.700 0.008 0.000 1.039 17 T CA 1.120 63.223 62.100 0.006 0.000 1.153 17 T CB -0.213 68.659 68.868 0.007 0.000 0.863 17 T HN 0.121 nan 8.240 nan 0.000 0.428 18 L N 0.187 121.418 121.223 0.012 0.000 2.083 18 L HA -0.061 4.282 4.340 0.004 0.000 0.209 18 L C 2.972 179.851 176.870 0.014 0.000 1.083 18 L CA 1.207 56.057 54.840 0.016 0.000 0.752 18 L CB -0.467 41.603 42.059 0.019 0.000 0.899 18 L HN 0.172 nan 8.230 nan 0.000 0.433 19 R N -0.061 120.446 120.500 0.011 0.000 2.083 19 R HA -0.220 4.123 4.340 0.004 0.000 0.237 19 R C 2.461 178.765 176.300 0.006 0.000 1.137 19 R CA 1.869 57.975 56.100 0.009 0.000 0.951 19 R CB -0.312 29.992 30.300 0.007 0.000 0.851 19 R HN 0.323 nan 8.270 nan 0.000 0.434 20 R N 0.463 120.964 120.500 0.002 0.000 2.075 20 R HA -0.064 4.278 4.340 0.004 0.000 0.232 20 R C 2.155 178.451 176.300 -0.006 0.000 1.126 20 R CA 1.401 57.498 56.100 -0.004 0.000 0.963 20 R CB -0.104 30.191 30.300 -0.008 0.000 0.858 20 R HN 0.172 nan 8.270 nan 0.000 0.435 21 M N 0.136 119.736 119.600 -0.001 0.000 2.175 21 M HA -0.064 4.419 4.480 0.004 0.000 0.264 21 M C 2.195 178.504 176.300 0.015 0.000 1.063 21 M CA 1.267 56.569 55.300 0.003 0.000 1.119 21 M CB -0.100 32.510 32.600 0.016 0.000 1.377 21 M HN 0.080 nan 8.290 nan 0.000 0.415 22 R N 0.624 121.135 120.500 0.019 0.000 2.120 22 R HA -0.094 4.248 4.340 0.004 0.000 0.234 22 R C 1.942 178.253 176.300 0.018 0.000 1.123 22 R CA 1.132 57.247 56.100 0.025 0.000 0.975 22 R CB -0.488 29.826 30.300 0.024 0.000 0.866 22 R HN 0.472 nan 8.270 nan 0.000 0.446 23 K N 0.190 120.595 120.400 0.008 0.000 2.057 23 K HA -0.088 4.234 4.320 0.004 0.000 0.207 23 K C 2.108 178.707 176.600 -0.002 0.000 1.049 23 K CA 1.371 57.660 56.287 0.003 0.000 0.931 23 K CB -0.067 32.431 32.500 -0.003 0.000 0.714 23 K HN -0.030 nan 8.250 nan 0.000 0.440 24 V N 0.798 120.705 119.914 -0.012 0.000 2.379 24 V HA -0.189 3.933 4.120 0.004 0.000 0.245 24 V C 2.236 178.327 176.094 -0.004 0.000 1.044 24 V CA 1.266 63.549 62.300 -0.029 0.000 1.036 24 V CB -0.260 31.521 31.823 -0.069 0.000 0.664 24 V HN 0.074 nan 8.190 nan 0.000 0.453 25 V N 0.890 120.817 119.914 0.022 0.000 2.380 25 V HA -0.285 3.837 4.120 0.004 0.000 0.251 25 V C 2.359 178.480 176.094 0.044 0.000 1.063 25 V CA 2.218 64.549 62.300 0.052 0.000 1.055 25 V CB -0.857 31.005 31.823 0.065 0.000 0.657 25 V HN 0.573 nan 8.190 nan 0.000 0.455 26 N N -0.196 118.523 118.700 0.031 0.000 2.309 26 N HA -0.030 4.713 4.740 0.004 0.000 0.182 26 N C 1.682 177.207 175.510 0.026 0.000 1.018 26 N CA 1.274 54.342 53.050 0.029 0.000 0.876 26 N CB -0.204 38.296 38.487 0.022 0.000 0.972 26 N HN 0.471 nan 8.380 nan 0.000 0.434 27 I N 0.537 121.118 120.570 0.017 0.000 2.233 27 I HA -0.179 3.994 4.170 0.004 0.000 0.243 27 I C 1.916 178.048 176.117 0.025 0.000 1.093 27 I CA 0.668 61.977 61.300 0.014 0.000 1.380 27 I CB -0.191 37.808 38.000 -0.002 0.000 1.067 27 I HN -0.004 nan 8.210 nan 0.000 0.413 28 I N 1.123 121.710 120.570 0.030 0.000 2.113 28 I HA -0.369 3.803 4.170 0.004 0.000 0.242 28 I C 2.257 178.408 176.117 0.057 0.000 1.064 28 I CA 1.560 62.891 61.300 0.052 0.000 1.320 28 I CB -0.635 37.414 38.000 0.082 0.000 1.028 28 I HN 0.313 nan 8.210 nan 0.000 0.406 29 N N 0.934 119.668 118.700 0.056 0.000 2.120 29 N HA -0.139 4.603 4.740 0.004 0.000 0.188 29 N C 1.858 177.395 175.510 0.045 0.000 1.024 29 N CA 1.630 54.713 53.050 0.055 0.000 0.852 29 N CB -0.449 38.071 38.487 0.054 0.000 1.003 29 N HN 0.403 nan 8.380 nan 0.000 0.424 30 A N 0.654 123.497 122.820 0.038 0.000 2.019 30 A HA -0.059 4.263 4.320 0.004 0.000 0.219 30 A C 2.103 179.709 177.584 0.035 0.000 1.164 30 A CA 1.064 53.121 52.037 0.033 0.000 0.644 30 A CB -0.421 18.595 19.000 0.027 0.000 0.805 30 A HN 0.245 nan 8.150 nan 0.000 0.449 31 M N -1.175 118.450 119.600 0.041 0.000 2.619 31 M HA -0.023 4.460 4.480 0.004 0.000 0.251 31 M C 1.820 178.148 176.300 0.047 0.000 1.106 31 M CA 0.899 56.227 55.300 0.047 0.000 1.086 31 M CB -0.118 32.516 32.600 0.057 0.000 1.465 31 M HN 0.612 nan 8.290 nan 0.000 0.506 32 E N 1.378 121.605 120.200 0.045 0.000 2.058 32 E HA -0.193 4.160 4.350 0.004 0.000 0.194 32 E C -0.902 175.720 176.600 0.037 0.000 0.997 32 E CA 1.480 57.906 56.400 0.043 0.000 0.801 32 E CB -0.574 29.152 29.700 0.043 0.000 0.746 32 E HN 0.273 nan 8.360 nan 0.000 0.450 33 P HA -0.162 nan 4.420 nan 0.000 0.217 33 P C 0.785 178.102 177.300 0.028 0.000 1.150 33 P CA 1.299 64.416 63.100 0.029 0.000 0.832 33 P CB -0.013 31.702 31.700 0.026 0.000 0.787 34 E N -0.810 119.408 120.200 0.031 0.000 2.058 34 E HA -0.196 4.156 4.350 0.004 0.000 0.194 34 E C 1.753 178.372 176.600 0.032 0.000 0.997 34 E CA 1.428 57.846 56.400 0.030 0.000 0.801 34 E CB -0.262 29.459 29.700 0.036 0.000 0.746 34 E HN 0.004 nan 8.360 nan 0.000 0.450 35 M N 0.462 120.086 119.600 0.040 0.000 2.200 35 M HA -0.095 4.387 4.480 0.004 0.000 0.265 35 M C 1.830 178.153 176.300 0.039 0.000 1.066 35 M CA 1.327 56.653 55.300 0.044 0.000 1.127 35 M CB -0.866 31.765 32.600 0.051 0.000 1.379 35 M HN 0.122 nan 8.290 nan 0.000 0.420 36 E N 0.037 120.257 120.200 0.034 0.000 2.209 36 E HA -0.220 4.133 4.350 0.004 0.000 0.196 36 E C 1.706 178.323 176.600 0.028 0.000 0.993 36 E CA 1.065 57.483 56.400 0.031 0.000 0.819 36 E CB -0.086 29.630 29.700 0.026 0.000 0.745 36 E HN 0.340 nan 8.360 nan 0.000 0.477 37 K N -0.182 120.233 120.400 0.025 0.000 2.356 37 K HA 0.063 4.385 4.320 0.004 0.000 0.195 37 K C -0.061 176.548 176.600 0.016 0.000 1.037 37 K CA -0.080 56.218 56.287 0.019 0.000 1.014 37 K CB 0.348 32.858 32.500 0.016 0.000 0.815 37 K HN -0.083 nan 8.250 nan 0.000 0.507 38 L N 1.759 122.993 121.223 0.019 0.000 2.453 38 L HA 0.068 4.410 4.340 0.004 0.000 0.272 38 L C 0.548 177.426 176.870 0.014 0.000 1.182 38 L CA 0.198 55.045 54.840 0.011 0.000 0.858 38 L CB 0.586 42.653 42.059 0.014 0.000 1.120 38 L HN 0.164 nan 8.230 nan 0.000 0.474 39 S N 1.703 117.399 115.700 -0.006 0.000 2.589 39 S HA 0.071 4.543 4.470 0.004 0.000 0.265 39 S C 0.832 175.410 174.600 -0.036 0.000 1.342 39 S CA -0.488 57.704 58.200 -0.014 0.000 1.005 39 S CB 0.575 63.756 63.200 -0.032 0.000 0.909 39 S HN 0.602 nan 8.310 nan 0.000 0.555 40 D N 0.844 121.210 120.400 -0.057 0.000 2.097 40 D HA -0.081 4.561 4.640 0.004 0.000 0.195 40 D C 1.924 178.009 176.300 -0.358 0.000 0.989 40 D CA 1.284 55.150 54.000 -0.224 0.000 0.827 40 D CB -0.293 40.383 40.800 -0.206 0.000 0.966 40 D HN 0.625 nan 8.370 nan 0.000 0.456 41 E N 0.726 120.793 120.200 -0.223 0.000 2.118 41 E HA -0.167 4.185 4.350 0.004 0.000 0.195 41 E C 2.002 178.516 176.600 -0.145 0.000 0.992 41 E CA 0.720 57.010 56.400 -0.184 0.000 0.804 41 E CB -0.139 29.492 29.700 -0.115 0.000 0.741 41 E HN 0.507 nan 8.360 nan 0.000 0.458 42 E N 0.232 120.367 120.200 -0.109 0.000 2.072 42 E HA -0.084 4.268 4.350 0.004 0.000 0.191 42 E C 2.308 178.855 176.600 -0.088 0.000 0.985 42 E CA 0.405 56.755 56.400 -0.082 0.000 0.801 42 E CB -0.051 29.617 29.700 -0.053 0.000 0.750 42 E HN 0.166 nan 8.360 nan 0.000 0.452 43 L N 1.119 122.289 121.223 -0.089 0.000 2.012 43 L HA -0.241 4.101 4.340 0.004 0.000 0.210 43 L C 2.641 179.468 176.870 -0.072 0.000 1.073 43 L CA 1.356 56.167 54.840 -0.048 0.000 0.748 43 L CB -0.317 41.769 42.059 0.046 0.000 0.891 43 L HN 0.081 nan 8.230 nan 0.000 0.431 44 K N 0.083 120.379 120.400 -0.174 0.000 2.063 44 K HA -0.181 4.142 4.320 0.004 0.000 0.208 44 K C 1.840 178.405 176.600 -0.058 0.000 1.048 44 K CA 1.541 57.757 56.287 -0.119 0.000 0.928 44 K CB -0.337 32.043 32.500 -0.200 0.000 0.713 44 K HN 0.374 nan 8.250 nan 0.000 0.442 45 G N 0.888 109.636 108.800 -0.087 0.000 2.625 45 G HA2 -0.159 3.803 3.960 0.004 0.000 0.214 45 G HA3 -0.159 3.803 3.960 0.004 0.000 0.214 45 G C 1.197 176.015 174.900 -0.136 0.000 1.132 45 G CA 0.090 45.139 45.100 -0.086 0.000 0.782 45 G HN 0.171 nan 8.290 nan 0.000 0.538 46 K N 0.563 120.859 120.400 -0.174 0.000 2.097 46 K HA -0.065 4.257 4.320 0.004 0.000 0.206 46 K C 2.605 178.911 176.600 -0.491 0.000 1.049 46 K CA 1.310 57.343 56.287 -0.423 0.000 0.933 46 K CB -0.840 31.459 32.500 -0.334 0.000 0.717 46 K HN 0.249 nan 8.250 nan 0.000 0.442 47 T N 1.437 115.973 114.554 -0.030 0.000 2.652 47 T HA -0.162 4.190 4.350 0.004 0.000 0.267 47 T C 1.979 176.713 174.700 0.056 0.000 1.039 47 T CA 1.769 63.974 62.100 0.175 0.000 1.153 47 T CB -0.278 68.743 68.868 0.256 0.000 0.863 47 T HN 0.347 nan 8.240 nan 0.000 0.428 48 A N 1.118 123.934 122.820 -0.007 0.000 1.933 48 A HA -0.132 4.190 4.320 0.004 0.000 0.218 48 A C 2.211 179.773 177.584 -0.038 0.000 1.175 48 A CA 1.938 53.967 52.037 -0.013 0.000 0.628 48 A CB -0.641 18.345 19.000 -0.023 0.000 0.814 48 A HN 0.628 nan 8.150 nan 0.000 0.444 49 E N -1.042 119.084 120.200 -0.122 0.000 2.058 49 E HA -0.200 4.152 4.350 0.004 0.000 0.194 49 E C 1.646 178.219 176.600 -0.044 0.000 0.997 49 E CA 1.414 57.731 56.400 -0.138 0.000 0.801 49 E CB -0.241 29.296 29.700 -0.272 0.000 0.746 49 E HN 0.546 nan 8.360 nan 0.000 0.450 50 F N 0.966 120.937 119.950 0.035 0.000 2.126 50 F HA -0.126 4.402 4.527 0.003 0.000 0.299 50 F C 2.457 178.254 175.800 -0.005 0.000 1.096 50 F CA 1.197 59.210 58.000 0.022 0.000 1.255 50 F CB -0.565 38.458 39.000 0.038 0.000 0.997 50 F HN -0.005 nan 8.300 nan 0.000 0.479 51 R N -0.343 120.259 120.500 0.169 0.000 2.148 51 R HA 0.023 4.365 4.340 0.004 0.000 0.223 51 R C 2.339 178.667 176.300 0.047 0.000 1.088 51 R CA 0.912 57.059 56.100 0.079 0.000 0.985 51 R CB -0.553 29.775 30.300 0.047 0.000 0.880 51 R HN 0.247 nan 8.270 nan 0.000 0.451 52 A N 1.169 124.013 122.820 0.040 0.000 1.929 52 A HA -0.107 4.215 4.320 0.004 0.000 0.216 52 A C 2.004 179.607 177.584 0.032 0.000 1.176 52 A CA 0.861 52.911 52.037 0.023 0.000 0.628 52 A CB -0.180 18.825 19.000 0.009 0.000 0.816 52 A HN 0.177 nan 8.150 nan 0.000 0.444 53 R N -0.449 120.085 120.500 0.057 0.000 2.075 53 R HA 0.009 4.352 4.340 0.004 0.000 0.232 53 R C 1.988 178.314 176.300 0.043 0.000 1.126 53 R CA 1.322 57.458 56.100 0.060 0.000 0.963 53 R CB -0.512 29.851 30.300 0.104 0.000 0.858 53 R HN 0.475 nan 8.270 nan 0.000 0.435 54 L N 0.733 121.983 121.223 0.045 0.000 2.046 54 L HA -0.184 4.159 4.340 0.004 0.000 0.208 54 L C 2.512 179.385 176.870 0.005 0.000 1.077 54 L CA 1.139 55.989 54.840 0.016 0.000 0.747 54 L CB -0.428 41.635 42.059 0.007 0.000 0.896 54 L HN 0.151 nan 8.230 nan 0.000 0.432 55 E N 0.779 120.983 120.200 0.007 0.000 2.130 55 E HA -0.225 4.127 4.350 0.004 0.000 0.196 55 E C 1.889 178.490 176.600 0.001 0.000 0.998 55 E CA 1.321 57.722 56.400 0.001 0.000 0.806 55 E CB -0.091 29.611 29.700 0.003 0.000 0.738 55 E HN 0.453 nan 8.360 nan 0.000 0.459 56 K N -0.783 119.621 120.400 0.006 0.000 2.551 56 K HA 0.063 4.386 4.320 0.004 0.000 0.192 56 K C 0.927 177.529 176.600 0.003 0.000 1.027 56 K CA 0.487 56.777 56.287 0.005 0.000 1.059 56 K CB 0.328 32.834 32.500 0.009 0.000 0.831 56 K HN 0.240 nan 8.250 nan 0.000 0.508 57 G N 1.522 110.322 108.800 0.000 0.000 2.179 57 G HA2 -0.248 3.714 3.960 0.004 0.000 0.220 57 G HA3 -0.248 3.714 3.960 0.004 0.000 0.220 57 G C -0.129 174.769 174.900 -0.004 0.000 0.990 57 G CA -0.224 44.874 45.100 -0.004 0.000 0.646 57 G HN 0.343 nan 8.290 nan 0.000 0.517 58 E N 0.693 120.894 120.200 0.001 0.000 2.442 58 E HA 0.399 4.751 4.350 0.004 0.000 0.262 58 E C 0.720 177.310 176.600 -0.016 0.000 1.004 58 E CA 0.005 56.404 56.400 -0.001 0.000 0.928 58 E CB 0.825 30.533 29.700 0.014 0.000 0.937 58 E HN 0.400 nan 8.360 nan 0.000 0.446 59 V N 6.524 126.423 119.914 -0.025 0.000 2.498 59 V HA 0.013 4.135 4.120 0.004 0.000 0.279 59 V C 1.380 177.439 176.094 -0.058 0.000 1.048 59 V CA -0.205 62.073 62.300 -0.038 0.000 0.967 59 V CB 1.195 32.996 31.823 -0.037 0.000 0.988 59 V HN 0.792 nan 8.190 nan 0.000 0.473 60 L N 4.593 125.775 121.223 -0.069 0.000 2.079 60 L HA -0.109 4.233 4.340 0.004 0.000 0.210 60 L C 2.079 178.872 176.870 -0.129 0.000 1.081 60 L CA 1.957 56.738 54.840 -0.099 0.000 0.752 60 L CB -0.370 41.631 42.059 -0.096 0.000 0.896 60 L HN 0.741 nan 8.230 nan 0.000 0.433 61 E N -0.295 119.837 120.200 -0.114 0.000 2.274 61 E HA -0.105 4.247 4.350 0.004 0.000 0.194 61 E C 1.841 178.359 176.600 -0.137 0.000 0.996 61 E CA 0.551 56.871 56.400 -0.134 0.000 0.840 61 E CB -0.381 29.256 29.700 -0.106 0.000 0.772 61 E HN 0.477 nan 8.360 nan 0.000 0.491 62 N N -0.035 118.602 118.700 -0.105 0.000 2.443 62 N HA -0.087 4.655 4.740 0.004 0.000 0.184 62 N C 1.071 176.512 175.510 -0.115 0.000 1.037 62 N CA 0.679 53.675 53.050 -0.090 0.000 0.896 62 N CB 0.062 38.517 38.487 -0.053 0.000 0.959 62 N HN 0.260 nan 8.380 nan 0.000 0.442 63 L N -0.216 120.906 121.223 -0.169 0.000 2.567 63 L HA 0.183 4.525 4.340 0.004 0.000 0.225 63 L C 1.752 178.432 176.870 -0.315 0.000 1.119 63 L CA -0.007 54.677 54.840 -0.260 0.000 0.871 63 L CB 0.005 41.840 42.059 -0.372 0.000 1.036 63 L HN 0.057 nan 8.230 nan 0.000 0.459 64 I N 0.921 121.301 120.570 -0.317 0.000 2.163 64 I HA -0.206 3.967 4.170 0.004 0.000 0.243 64 I C -0.286 175.555 176.117 -0.460 0.000 1.085 64 I CA 1.611 62.611 61.300 -0.499 0.000 1.347 64 I CB -1.046 36.595 38.000 -0.599 0.000 1.044 64 I HN 0.224 nan 8.210 nan 0.000 0.408 65 P HA -0.162 nan 4.420 nan 0.000 0.215 65 P C 1.244 178.534 177.300 -0.018 0.000 1.157 65 P CA 1.499 64.518 63.100 -0.135 0.000 0.863 65 P CB -0.032 31.618 31.700 -0.083 0.000 0.787 66 E N -0.286 119.919 120.200 0.008 0.000 2.072 66 E HA -0.115 4.237 4.350 0.004 0.000 0.191 66 E C 2.148 178.870 176.600 0.203 0.000 0.985 66 E CA 1.194 57.684 56.400 0.151 0.000 0.801 66 E CB -0.643 29.242 29.700 0.309 0.000 0.750 66 E HN 0.134 nan 8.360 nan 0.000 0.452 67 A N 1.012 123.808 122.820 -0.040 0.000 1.902 67 A HA -0.164 4.158 4.320 0.004 0.000 0.217 67 A C 1.870 179.628 177.584 0.290 0.000 1.181 67 A CA 1.068 53.157 52.037 0.087 0.000 0.623 67 A CB -0.638 18.318 19.000 -0.074 0.000 0.818 67 A HN 0.142 nan 8.150 nan 0.000 0.443 68 F N 0.281 120.207 119.950 -0.040 0.000 2.126 68 F HA -0.119 4.410 4.527 0.003 0.000 0.299 68 F C 2.819 178.557 175.800 -0.104 0.000 1.096 68 F CA 0.433 58.380 58.000 -0.088 0.000 1.255 68 F CB -1.091 37.861 39.000 -0.080 0.000 0.997 68 F HN 0.280 nan 8.300 nan 0.000 0.479 69 A N -0.369 122.547 122.820 0.160 0.000 1.930 69 A HA -0.090 4.232 4.320 0.004 0.000 0.217 69 A C 2.461 180.078 177.584 0.055 0.000 1.175 69 A CA 1.648 53.737 52.037 0.087 0.000 0.627 69 A CB -1.141 17.919 19.000 0.099 0.000 0.815 69 A HN 0.170 nan 8.150 nan 0.000 0.443 70 V N -0.334 119.633 119.914 0.089 0.000 2.261 70 V HA -0.233 3.889 4.120 0.004 0.000 0.246 70 V C 2.593 178.632 176.094 -0.092 0.000 1.047 70 V CA 2.074 64.401 62.300 0.046 0.000 1.015 70 V CB -0.746 31.173 31.823 0.159 0.000 0.642 70 V HN 0.381 nan 8.190 nan 0.000 0.446 71 V N 0.122 119.904 119.914 -0.220 0.000 2.343 71 V HA -0.284 3.839 4.120 0.004 0.000 0.247 71 V C 2.544 178.515 176.094 -0.205 0.000 1.051 71 V CA 2.413 64.534 62.300 -0.299 0.000 1.036 71 V CB -0.877 30.717 31.823 -0.382 0.000 0.654 71 V HN 0.514 nan 8.190 nan 0.000 0.451 72 R N 0.158 120.531 120.500 -0.212 0.000 2.081 72 R HA -0.246 4.096 4.340 0.004 0.000 0.235 72 R C 2.322 178.615 176.300 -0.011 0.000 1.131 72 R CA 2.132 58.198 56.100 -0.057 0.000 0.960 72 R CB -0.158 30.113 30.300 -0.048 0.000 0.856 72 R HN 0.557 nan 8.270 nan 0.000 0.436 73 E N 0.308 120.487 120.200 -0.034 0.000 2.072 73 E HA -0.063 4.289 4.350 0.004 0.000 0.190 73 E C 1.714 178.246 176.600 -0.114 0.000 0.982 73 E CA 1.482 57.862 56.400 -0.034 0.000 0.803 73 E CB -0.198 29.511 29.700 0.015 0.000 0.755 73 E HN 0.412 nan 8.360 nan 0.000 0.453 74 A N 0.137 122.871 122.820 -0.144 0.000 1.892 74 A HA -0.252 4.070 4.320 0.004 0.000 0.218 74 A C 2.475 179.724 177.584 -0.559 0.000 1.188 74 A CA 2.274 54.072 52.037 -0.397 0.000 0.631 74 A CB -1.222 17.636 19.000 -0.237 0.000 0.822 74 A HN 0.348 nan 8.150 nan 0.000 0.447 75 S N -0.678 114.815 115.700 -0.345 0.000 2.368 75 S HA -0.176 4.297 4.470 0.004 0.000 0.224 75 S C 2.004 176.460 174.600 -0.240 0.000 1.029 75 S CA 1.739 59.738 58.200 -0.336 0.000 0.988 75 S CB -0.328 62.840 63.200 -0.054 0.000 0.838 75 S HN 0.606 nan 8.310 nan 0.000 0.462 76 K N 0.490 120.792 120.400 -0.163 0.000 2.074 76 K HA -0.102 4.220 4.320 0.004 0.000 0.209 76 K C 2.479 178.979 176.600 -0.168 0.000 1.048 76 K CA 1.610 57.823 56.287 -0.123 0.000 0.926 76 K CB -0.175 32.281 32.500 -0.074 0.000 0.713 76 K HN 0.374 nan 8.250 nan 0.000 0.444 77 R N 0.079 120.416 120.500 -0.272 0.000 2.100 77 R HA -0.001 4.342 4.340 0.004 0.000 0.220 77 R C 2.293 178.389 176.300 -0.340 0.000 1.091 77 R CA 0.880 56.815 56.100 -0.275 0.000 0.986 77 R CB -0.111 29.996 30.300 -0.321 0.000 0.888 77 R HN 0.015 nan 8.270 nan 0.000 0.444 78 V N 0.073 119.662 119.914 -0.542 0.000 2.500 78 V HA -0.073 4.049 4.120 0.004 0.000 0.243 78 V C 1.479 177.451 176.094 -0.204 0.000 1.039 78 V CA 1.391 63.393 62.300 -0.496 0.000 1.053 78 V CB -0.229 31.085 31.823 -0.848 0.000 0.695 78 V HN 0.112 nan 8.190 nan 0.000 0.463 79 F N 0.503 120.317 119.950 -0.227 0.000 2.731 79 F HA 0.462 4.991 4.527 0.004 0.000 0.298 79 F C 1.949 177.651 175.800 -0.163 0.000 1.106 79 F CA 0.018 57.903 58.000 -0.192 0.000 1.329 79 F CB -0.765 38.102 39.000 -0.222 0.000 1.100 79 F HN 0.282 nan 8.300 nan 0.000 0.592 80 G N 1.430 110.234 108.800 0.007 0.000 2.249 80 G HA2 -0.323 3.639 3.960 0.004 0.000 0.273 80 G HA3 -0.323 3.639 3.960 0.004 0.000 0.273 80 G C 0.066 174.942 174.900 -0.040 0.000 1.036 80 G CA 0.288 45.373 45.100 -0.026 0.000 0.824 80 G HN 0.289 nan 8.290 nan 0.000 0.504 81 M N -0.856 118.713 119.600 -0.051 0.000 2.326 81 M HA 0.410 4.892 4.480 0.004 0.000 0.292 81 M C 0.038 176.235 176.300 -0.171 0.000 1.081 81 M CA -0.727 54.491 55.300 -0.137 0.000 0.919 81 M CB 2.471 34.960 32.600 -0.185 0.000 1.634 81 M HN 0.156 nan 8.290 nan 0.000 0.451 82 R N 2.271 122.651 120.500 -0.200 0.000 2.275 82 R HA 0.388 4.731 4.340 0.004 0.000 0.326 82 R C -0.984 175.163 176.300 -0.254 0.000 0.973 82 R CA -0.654 55.370 56.100 -0.126 0.000 0.854 82 R CB 0.596 30.870 30.300 -0.043 0.000 1.156 82 R HN 0.678 nan 8.270 nan 0.000 0.487 83 H N 3.225 122.145 119.070 -0.250 0.000 3.152 83 H HA -0.106 4.453 4.556 0.004 0.000 0.319 83 H C -0.167 175.054 175.328 -0.179 0.000 0.994 83 H CA 1.059 56.941 56.048 -0.276 0.000 1.370 83 H CB 0.004 29.679 29.762 -0.146 0.000 1.322 83 H HN 0.287 nan 8.280 nan 0.000 0.590 84 F N 1.178 121.191 119.950 0.104 0.000 2.403 84 F HA 0.044 4.574 4.527 0.004 0.000 0.320 84 F C 1.726 177.579 175.800 0.089 0.000 1.176 84 F CA -0.672 57.374 58.000 0.075 0.000 1.206 84 F CB 0.395 39.424 39.000 0.047 0.000 1.235 84 F HN 0.521 nan 8.300 nan 0.000 0.565 85 D N 0.433 121.008 120.400 0.291 0.000 2.123 85 D HA -0.152 4.490 4.640 0.004 0.000 0.196 85 D C 2.360 178.761 176.300 0.168 0.000 0.992 85 D CA 1.789 55.898 54.000 0.182 0.000 0.833 85 D CB -0.463 40.414 40.800 0.128 0.000 0.954 85 D HN 0.335 nan 8.370 nan 0.000 0.455 86 V N -1.049 118.968 119.914 0.172 0.000 2.594 86 V HA -0.236 3.886 4.120 0.004 0.000 0.253 86 V C 1.876 178.062 176.094 0.154 0.000 1.069 86 V CA 1.465 63.849 62.300 0.140 0.000 1.082 86 V CB -0.789 31.095 31.823 0.102 0.000 0.680 86 V HN 0.131 nan 8.190 nan 0.000 0.469 87 Q N 0.111 120.031 119.800 0.200 0.000 2.137 87 Q HA 0.070 4.412 4.340 0.004 0.000 0.198 87 Q C 2.320 178.397 176.000 0.128 0.000 0.960 87 Q CA 1.613 57.514 55.803 0.162 0.000 0.847 87 Q CB -0.239 28.598 28.738 0.165 0.000 0.915 87 Q HN 0.633 nan 8.270 nan 0.000 0.448 88 L N 0.516 121.826 121.223 0.145 0.000 1.990 88 L HA -0.261 4.081 4.340 0.004 0.000 0.213 88 L C 2.374 179.389 176.870 0.241 0.000 1.072 88 L CA 1.277 56.233 54.840 0.193 0.000 0.755 88 L CB -0.712 41.479 42.059 0.219 0.000 0.889 88 L HN 0.271 nan 8.230 nan 0.000 0.432 89 L N -0.291 121.032 121.223 0.167 0.000 2.013 89 L HA -0.200 4.142 4.340 0.004 0.000 0.212 89 L C 2.728 179.671 176.870 0.123 0.000 1.073 89 L CA 1.632 56.551 54.840 0.131 0.000 0.753 89 L CB -1.360 40.755 42.059 0.093 0.000 0.890 89 L HN 0.384 nan 8.230 nan 0.000 0.432 90 G N -0.392 108.472 108.800 0.107 0.000 2.440 90 G HA2 -0.214 3.748 3.960 0.004 0.000 0.218 90 G HA3 -0.214 3.748 3.960 0.004 0.000 0.218 90 G C 1.567 176.527 174.900 0.099 0.000 1.154 90 G CA 0.798 45.946 45.100 0.081 0.000 0.767 90 G HN 0.507 nan 8.290 nan 0.000 0.552 91 G N 0.634 109.508 108.800 0.123 0.000 2.422 91 G HA2 -0.167 3.795 3.960 0.004 0.000 0.218 91 G HA3 -0.167 3.795 3.960 0.004 0.000 0.218 91 G C 1.897 177.006 174.900 0.349 0.000 1.146 91 G CA 0.986 46.170 45.100 0.139 0.000 0.769 91 G HN 0.443 nan 8.290 nan 0.000 0.547 92 M N 0.039 119.861 119.600 0.370 0.000 2.175 92 M HA -0.006 4.476 4.480 0.004 0.000 0.264 92 M C 2.631 178.989 176.300 0.097 0.000 1.063 92 M CA 0.669 56.084 55.300 0.191 0.000 1.119 92 M CB -0.251 32.394 32.600 0.075 0.000 1.377 92 M HN 0.075 nan 8.290 nan 0.000 0.415 93 V N 0.955 120.920 119.914 0.085 0.000 2.392 93 V HA -0.248 3.874 4.120 0.004 0.000 0.249 93 V C 2.195 178.312 176.094 0.038 0.000 1.059 93 V CA 1.591 63.916 62.300 0.041 0.000 1.051 93 V CB -0.593 31.246 31.823 0.027 0.000 0.658 93 V HN 0.486 nan 8.190 nan 0.000 0.455 94 L N 0.265 121.529 121.223 0.068 0.000 2.465 94 L HA -0.054 4.288 4.340 0.004 0.000 0.224 94 L C 2.111 179.054 176.870 0.121 0.000 1.145 94 L CA 0.962 55.853 54.840 0.085 0.000 0.834 94 L CB -0.528 41.590 42.059 0.099 0.000 0.944 94 L HN 0.410 nan 8.230 nan 0.000 0.451 95 N N -0.513 118.227 118.700 0.067 0.000 2.463 95 N HA -0.063 4.679 4.740 0.004 0.000 0.181 95 N C 0.608 176.088 175.510 -0.050 0.000 1.078 95 N CA 0.465 53.495 53.050 -0.034 0.000 0.902 95 N CB 0.427 38.890 38.487 -0.039 0.000 0.970 95 N HN 0.200 nan 8.380 nan 0.000 0.451 96 E N -0.079 120.117 120.200 -0.007 0.000 2.284 96 E HA 0.146 4.498 4.350 0.004 0.000 0.255 96 E C -0.429 176.176 176.600 0.008 0.000 1.052 96 E CA -0.673 55.721 56.400 -0.010 0.000 0.904 96 E CB 0.777 30.471 29.700 -0.011 0.000 1.217 96 E HN 0.051 nan 8.360 nan 0.000 0.438 97 R N 0.736 121.239 120.500 0.003 0.000 3.268 97 R HA 0.209 4.551 4.340 0.004 0.000 0.217 97 R C -1.139 175.150 176.300 -0.019 0.000 1.568 97 R CA 0.079 56.181 56.100 0.003 0.000 1.322 97 R CB -0.810 29.501 30.300 0.017 0.000 1.280 97 R HN 0.316 nan 8.270 nan 0.000 0.667 98 C N 2.817 122.090 119.300 -0.046 0.000 3.173 98 C HA 0.482 4.944 4.460 0.004 0.000 0.310 98 C C -0.718 174.184 174.990 -0.146 0.000 1.306 98 C CA -1.175 57.797 59.018 -0.077 0.000 1.426 98 C CB 1.692 29.405 27.740 -0.046 0.000 1.800 98 C HN 0.476 nan 8.230 nan 0.000 0.470 99 I N 2.496 122.939 120.570 -0.210 0.000 2.331 99 I HA 0.445 4.617 4.170 0.004 0.000 0.292 99 I C 0.650 176.660 176.117 -0.178 0.000 0.998 99 I CA -0.095 61.026 61.300 -0.299 0.000 1.267 99 I CB 0.836 38.540 38.000 -0.493 0.000 1.386 99 I HN 0.840 nan 8.210 nan 0.000 0.476 100 A N 6.317 129.054 122.820 -0.138 0.000 2.260 100 A HA 0.311 4.633 4.320 0.004 0.000 0.312 100 A C 0.297 177.835 177.584 -0.077 0.000 1.321 100 A CA -0.563 51.431 52.037 -0.072 0.000 0.928 100 A CB 0.071 19.052 19.000 -0.032 0.000 1.158 100 A HN 0.746 nan 8.150 nan 0.000 0.542 101 E N 3.693 123.859 120.200 -0.057 0.000 2.044 101 E HA 0.449 4.801 4.350 0.004 0.000 0.282 101 E C -0.936 175.658 176.600 -0.010 0.000 1.031 101 E CA -0.058 56.318 56.400 -0.040 0.000 0.824 101 E CB 0.333 30.018 29.700 -0.025 0.000 1.076 101 E HN 0.684 nan 8.360 nan 0.000 0.395 102 M N 4.477 124.073 119.600 -0.007 0.000 2.197 102 M HA 0.321 4.803 4.480 0.004 0.000 0.301 102 M C -0.083 176.226 176.300 0.015 0.000 0.987 102 M CA -0.846 54.462 55.300 0.012 0.000 0.921 102 M CB 1.971 34.583 32.600 0.018 0.000 1.569 102 M HN 0.341 nan 8.290 nan 0.000 0.431 103 R N 1.598 122.111 120.500 0.022 0.000 2.698 103 R HA 0.100 4.442 4.340 0.004 0.000 0.266 103 R C -0.666 175.650 176.300 0.027 0.000 1.026 103 R CA 0.653 56.767 56.100 0.024 0.000 1.102 103 R CB 0.579 30.895 30.300 0.026 0.000 0.978 103 R HN 0.687 nan 8.270 nan 0.000 0.436 104 T N 2.412 116.981 114.554 0.025 0.000 2.905 104 T HA 0.157 4.510 4.350 0.004 0.000 0.299 104 T C 1.051 175.771 174.700 0.032 0.000 1.024 104 T CA 1.609 63.725 62.100 0.026 0.000 1.151 104 T CB 0.281 69.164 68.868 0.026 0.000 0.987 104 T HN 0.747 nan 8.240 nan 0.000 0.535 105 G N 3.298 112.119 108.800 0.034 0.000 2.179 105 G HA2 -0.182 3.780 3.960 0.004 0.000 0.220 105 G HA3 -0.182 3.780 3.960 0.004 0.000 0.220 105 G C 0.673 175.609 174.900 0.061 0.000 0.990 105 G CA -0.069 45.057 45.100 0.045 0.000 0.646 105 G HN 0.649 nan 8.290 nan 0.000 0.517 106 E N 0.336 120.572 120.200 0.060 0.000 2.479 106 E HA 0.326 4.678 4.350 0.004 0.000 0.193 106 E C 1.654 178.320 176.600 0.110 0.000 1.049 106 E CA 0.826 57.280 56.400 0.090 0.000 0.870 106 E CB 0.140 29.884 29.700 0.073 0.000 0.944 106 E HN 1.597 nan 8.360 nan 0.000 0.492 107 G N 2.580 111.417 108.800 0.062 0.000 2.248 107 G HA2 -0.324 3.638 3.960 0.004 0.000 0.252 107 G HA3 -0.324 3.638 3.960 0.004 0.000 0.252 107 G C 0.814 175.718 174.900 0.006 0.000 1.085 107 G CA 0.543 45.655 45.100 0.020 0.000 0.845 107 G HN 0.228 nan 8.290 nan 0.000 0.494 108 K N -0.815 119.592 120.400 0.012 0.000 2.089 108 K HA -0.153 4.169 4.320 0.004 0.000 0.210 108 K C 2.644 179.247 176.600 0.005 0.000 1.048 108 K CA 2.087 58.380 56.287 0.009 0.000 0.926 108 K CB -0.225 32.275 32.500 0.001 0.000 0.714 108 K HN 0.434 nan 8.250 nan 0.000 0.448 109 T N 1.613 116.160 114.554 -0.012 0.000 2.746 109 T HA -0.121 4.231 4.350 0.004 0.000 0.267 109 T C 1.687 176.381 174.700 -0.009 0.000 1.039 109 T CA 0.940 63.035 62.100 -0.009 0.000 1.142 109 T CB -0.151 68.690 68.868 -0.044 0.000 0.866 109 T HN 0.074 nan 8.240 nan 0.000 0.444 110 L N 1.109 122.292 121.223 -0.067 0.000 2.093 110 L HA -0.024 4.318 4.340 0.004 0.000 0.208 110 L C 2.502 179.384 176.870 0.021 0.000 1.085 110 L CA 1.742 56.524 54.840 -0.097 0.000 0.755 110 L CB -1.264 40.630 42.059 -0.274 0.000 0.904 110 L HN 0.170 nan 8.230 nan 0.000 0.435 111 T N 0.033 114.607 114.554 0.034 0.000 2.665 111 T HA -0.251 4.101 4.350 0.004 0.000 0.268 111 T C 1.813 176.562 174.700 0.081 0.000 1.035 111 T CA 1.555 63.706 62.100 0.086 0.000 1.151 111 T CB -0.554 68.348 68.868 0.058 0.000 0.862 111 T HN 0.530 nan 8.240 nan 0.000 0.438 112 A N 1.484 124.357 122.820 0.089 0.000 2.178 112 A HA -0.080 4.242 4.320 0.004 0.000 0.218 112 A C 2.487 180.187 177.584 0.192 0.000 1.157 112 A CA 1.882 53.989 52.037 0.116 0.000 0.689 112 A CB -1.034 18.031 19.000 0.108 0.000 0.787 112 A HN 0.674 nan 8.150 nan 0.000 0.465 113 T N -1.792 112.901 114.554 0.232 0.000 2.962 113 T HA -0.038 4.314 4.350 0.004 0.000 0.270 113 T C 1.710 176.573 174.700 0.272 0.000 1.088 113 T CA 1.267 63.587 62.100 0.365 0.000 1.127 113 T CB -0.464 68.569 68.868 0.276 0.000 0.883 113 T HN 0.351 nan 8.240 nan 0.000 0.493 114 L N 1.373 122.603 121.223 0.011 0.000 2.007 114 L HA 0.077 4.419 4.340 0.004 0.000 0.205 114 L C 0.046 176.889 176.870 -0.046 0.000 1.073 114 L CA 1.017 55.675 54.840 -0.303 0.000 0.744 114 L CB -1.435 40.057 42.059 -0.944 0.000 0.898 114 L HN 0.193 nan 8.230 nan 0.000 0.435 115 P HA -0.119 nan 4.420 nan 0.000 0.221 115 P C 1.359 178.758 177.300 0.166 0.000 1.150 115 P CA 1.661 64.859 63.100 0.163 0.000 0.800 115 P CB 0.112 31.934 31.700 0.203 0.000 0.787 116 A N -0.118 122.834 122.820 0.220 0.000 1.883 116 A HA -0.240 4.082 4.320 0.004 0.000 0.217 116 A C 2.393 180.018 177.584 0.070 0.000 1.186 116 A CA 1.639 53.778 52.037 0.170 0.000 0.624 116 A CB -2.015 17.085 19.000 0.168 0.000 0.822 116 A HN 0.131 nan 8.150 nan 0.000 0.444 117 Y N -0.068 120.267 120.300 0.058 0.000 2.097 117 Y HA -0.210 4.343 4.550 0.004 0.000 0.282 117 Y C 2.130 178.056 175.900 0.044 0.000 1.152 117 Y CA 2.165 60.302 58.100 0.062 0.000 1.136 117 Y CB -0.491 38.101 38.460 0.221 0.000 0.975 117 Y HN 0.252 nan 8.280 nan 0.000 0.498 118 L N 0.956 122.240 121.223 0.101 0.000 2.046 118 L HA -0.227 4.115 4.340 0.004 0.000 0.208 118 L C 1.792 178.566 176.870 -0.160 0.000 1.077 118 L CA 2.061 56.873 54.840 -0.046 0.000 0.747 118 L CB -0.810 41.327 42.059 0.129 0.000 0.896 118 L HN 0.268 nan 8.230 nan 0.000 0.432 119 N N -0.418 118.190 118.700 -0.154 0.000 2.521 119 N HA -0.001 4.742 4.740 0.004 0.000 0.188 119 N C 1.449 176.941 175.510 -0.029 0.000 1.146 119 N CA 0.838 53.784 53.050 -0.174 0.000 0.893 119 N CB 0.161 38.325 38.487 -0.537 0.000 0.975 119 N HN 0.509 nan 8.380 nan 0.000 0.451 120 A N 0.417 123.173 122.820 -0.107 0.000 2.132 120 A HA 0.125 4.447 4.320 0.004 0.000 0.213 120 A C 2.208 179.700 177.584 -0.152 0.000 1.154 120 A CA 0.029 51.998 52.037 -0.113 0.000 0.753 120 A CB -0.160 18.730 19.000 -0.183 0.000 0.826 120 A HN 0.131 nan 8.150 nan 0.000 0.469 121 L N 0.297 121.392 121.223 -0.214 0.000 2.079 121 L HA -0.169 4.173 4.340 0.004 0.000 0.210 121 L C 2.731 179.538 176.870 -0.105 0.000 1.081 121 L CA 1.820 56.555 54.840 -0.176 0.000 0.752 121 L CB -0.898 41.050 42.059 -0.186 0.000 0.896 121 L HN 0.603 nan 8.230 nan 0.000 0.433 122 T N -3.017 111.470 114.554 -0.111 0.000 3.163 122 T HA 0.120 4.473 4.350 0.004 0.000 0.260 122 T C 1.395 176.018 174.700 -0.130 0.000 1.156 122 T CA 0.462 62.492 62.100 -0.118 0.000 1.072 122 T CB -0.092 68.686 68.868 -0.149 0.000 0.937 122 T HN 0.541 nan 8.240 nan 0.000 0.528 123 G N 1.492 110.225 108.800 -0.112 0.000 2.147 123 G HA2 -0.225 3.737 3.960 0.004 0.000 0.244 123 G HA3 -0.225 3.737 3.960 0.004 0.000 0.244 123 G C 0.727 175.567 174.900 -0.100 0.000 1.005 123 G CA 0.251 45.304 45.100 -0.078 0.000 0.713 123 G HN 0.496 nan 8.290 nan 0.000 0.515 124 K N -0.018 120.273 120.400 -0.180 0.000 2.373 124 K HA 0.458 4.781 4.320 0.004 0.000 0.200 124 K C 1.224 177.785 176.600 -0.065 0.000 1.054 124 K CA 0.756 56.901 56.287 -0.237 0.000 1.065 124 K CB 0.905 33.008 32.500 -0.660 0.000 0.886 124 K HN 1.748 nan 8.250 nan 0.000 0.546 125 G N 0.724 109.547 108.800 0.038 0.000 2.663 125 G HA2 -0.136 3.826 3.960 0.004 0.000 0.686 125 G HA3 -0.136 3.826 3.960 0.004 0.000 0.686 125 G C -1.199 173.825 174.900 0.207 0.000 1.246 125 G CA -0.837 44.344 45.100 0.135 0.000 0.795 125 G HN -0.075 nan 8.290 nan 0.000 0.627 126 V N 1.884 121.899 119.914 0.169 0.000 2.623 126 V HA 0.525 4.647 4.120 0.004 0.000 0.304 126 V C -0.211 175.981 176.094 0.163 0.000 1.054 126 V CA -0.838 61.547 62.300 0.142 0.000 0.882 126 V CB 2.066 33.960 31.823 0.119 0.000 1.002 126 V HN 0.859 nan 8.190 nan 0.000 0.424 127 H N 3.021 122.035 119.070 -0.093 0.000 2.661 127 H HA 0.481 5.039 4.556 0.003 0.000 0.290 127 H C -0.560 174.569 175.328 -0.330 0.000 1.082 127 H CA -0.799 55.105 56.048 -0.240 0.000 1.234 127 H CB 1.656 31.103 29.762 -0.524 0.000 1.387 127 H HN 0.430 nan 8.280 nan 0.000 0.476 128 V N 5.281 125.111 119.914 -0.140 0.000 2.432 128 V HA 0.052 4.174 4.120 0.004 0.000 0.271 128 V C 0.227 176.372 176.094 0.085 0.000 1.046 128 V CA -0.519 61.669 62.300 -0.187 0.000 0.945 128 V CB 1.107 32.643 31.823 -0.478 0.000 0.992 128 V HN 0.452 nan 8.190 nan 0.000 0.471 129 V N 5.050 125.002 119.914 0.064 0.000 2.347 129 V HA 0.486 4.608 4.120 0.004 0.000 0.280 129 V C 0.499 176.644 176.094 0.086 0.000 1.021 129 V CA -0.358 62.063 62.300 0.203 0.000 0.847 129 V CB 1.454 33.342 31.823 0.109 0.000 0.990 129 V HN 1.019 nan 8.190 nan 0.000 0.444 130 T N 0.940 115.567 114.554 0.121 0.000 2.952 130 T HA 0.481 4.833 4.350 0.004 0.000 0.286 130 T C 1.099 175.826 174.700 0.044 0.000 1.024 130 T CA -0.055 62.088 62.100 0.072 0.000 1.029 130 T CB 1.822 70.746 68.868 0.094 0.000 1.094 130 T HN 0.506 nan 8.240 nan 0.000 0.515 131 V N -0.864 119.065 119.914 0.025 0.000 3.041 131 V HA 0.200 4.323 4.120 0.004 0.000 0.260 131 V C 0.434 176.549 176.094 0.034 0.000 1.105 131 V CA 0.889 63.196 62.300 0.012 0.000 1.125 131 V CB -2.011 29.814 31.823 0.002 0.000 0.730 131 V HN 1.069 nan 8.190 nan 0.000 0.479 132 N N -2.235 116.498 118.700 0.054 0.000 2.934 132 N HA 0.286 5.028 4.740 0.004 0.000 0.253 132 N C -0.209 175.341 175.510 0.066 0.000 1.466 132 N CA -0.235 52.855 53.050 0.067 0.000 0.858 132 N CB 0.519 39.053 38.487 0.079 0.000 1.459 132 N HN -0.169 nan 8.380 nan 0.000 0.532 133 D N -0.986 119.456 120.400 0.070 0.000 2.149 133 D HA -0.092 4.550 4.640 0.004 0.000 0.201 133 D C 1.229 177.563 176.300 0.056 0.000 0.972 133 D CA 1.114 55.143 54.000 0.049 0.000 0.835 133 D CB -0.397 40.432 40.800 0.048 0.000 0.966 133 D HN 0.553 nan 8.370 nan 0.000 0.476 134 Y N 1.776 122.071 120.300 -0.008 0.000 2.069 134 Y HA -0.258 4.294 4.550 0.004 0.000 0.278 134 Y C 2.143 178.030 175.900 -0.022 0.000 1.175 134 Y CA 1.609 59.699 58.100 -0.017 0.000 1.134 134 Y CB -0.540 37.908 38.460 -0.020 0.000 0.965 134 Y HN -0.080 nan 8.280 nan 0.000 0.498 135 L N -0.473 120.706 121.223 -0.074 0.000 2.141 135 L HA -0.170 4.173 4.340 0.004 0.000 0.209 135 L C 2.793 179.572 176.870 -0.152 0.000 1.094 135 L CA 0.934 55.678 54.840 -0.161 0.000 0.763 135 L CB -0.939 41.131 42.059 0.019 0.000 0.908 135 L HN 0.371 nan 8.230 nan 0.000 0.437 136 A N -0.356 122.426 122.820 -0.063 0.000 1.865 136 A HA -0.268 4.054 4.320 0.004 0.000 0.217 136 A C 2.243 179.755 177.584 -0.120 0.000 1.191 136 A CA 1.711 53.739 52.037 -0.015 0.000 0.623 136 A CB -0.488 18.521 19.000 0.015 0.000 0.826 136 A HN 0.458 nan 8.150 nan 0.000 0.444 137 Q N -1.337 118.366 119.800 -0.161 0.000 2.079 137 Q HA -0.139 4.204 4.340 0.004 0.000 0.200 137 Q C 2.443 178.286 176.000 -0.263 0.000 0.974 137 Q CA 1.310 57.007 55.803 -0.176 0.000 0.840 137 Q CB -0.167 28.484 28.738 -0.146 0.000 0.898 137 Q HN 0.673 nan 8.270 nan 0.000 0.430 138 R N 0.767 121.029 120.500 -0.396 0.000 2.066 138 R HA -0.158 4.184 4.340 0.004 0.000 0.232 138 R C 1.365 177.467 176.300 -0.330 0.000 1.131 138 R CA 1.771 57.623 56.100 -0.413 0.000 0.955 138 R CB 0.007 29.921 30.300 -0.643 0.000 0.851 138 R HN 0.201 nan 8.270 nan 0.000 0.432 139 D N 0.503 120.694 120.400 -0.348 0.000 2.123 139 D HA -0.156 4.486 4.640 0.004 0.000 0.196 139 D C 1.744 177.641 176.300 -0.672 0.000 0.992 139 D CA 1.585 55.335 54.000 -0.417 0.000 0.833 139 D CB -0.347 40.254 40.800 -0.331 0.000 0.954 139 D HN 0.388 nan 8.370 nan 0.000 0.455 140 A N 1.110 123.480 122.820 -0.750 0.000 1.877 140 A HA -0.191 4.131 4.320 0.004 0.000 0.216 140 A C 2.086 179.528 177.584 -0.237 0.000 1.186 140 A CA 1.421 53.110 52.037 -0.579 0.000 0.620 140 A CB -0.309 18.537 19.000 -0.257 0.000 0.822 140 A HN 0.011 nan 8.150 nan 0.000 0.443 141 E N 0.309 120.395 120.200 -0.191 0.000 2.107 141 E HA -0.096 4.257 4.350 0.004 0.000 0.191 141 E C 1.750 178.303 176.600 -0.078 0.000 0.982 141 E CA 0.823 57.163 56.400 -0.100 0.000 0.809 141 E CB -0.453 29.187 29.700 -0.100 0.000 0.756 141 E HN 0.565 nan 8.360 nan 0.000 0.459 142 N N 1.266 119.887 118.700 -0.131 0.000 2.188 142 N HA -0.096 4.646 4.740 0.004 0.000 0.184 142 N C 1.283 176.815 175.510 0.038 0.000 1.018 142 N CA 0.783 53.772 53.050 -0.102 0.000 0.858 142 N CB -0.273 38.082 38.487 -0.219 0.000 0.989 142 N HN 0.132 nan 8.380 nan 0.000 0.426 143 N N 0.530 119.234 118.700 0.007 0.000 2.446 143 N HA 0.002 4.744 4.740 0.004 0.000 0.179 143 N C 1.571 177.136 175.510 0.092 0.000 1.054 143 N CA 0.064 53.168 53.050 0.089 0.000 0.905 143 N CB 0.032 38.608 38.487 0.148 0.000 0.973 143 N HN 0.300 nan 8.380 nan 0.000 0.448 144 R N 1.222 121.792 120.500 0.118 0.000 2.094 144 R HA -0.095 4.247 4.340 0.004 0.000 0.239 144 R C -0.881 175.485 176.300 0.110 0.000 1.137 144 R CA 1.599 57.792 56.100 0.155 0.000 0.943 144 R CB -0.886 29.475 30.300 0.101 0.000 0.850 144 R HN 0.159 nan 8.270 nan 0.000 0.433 145 P HA -0.155 nan 4.420 nan 0.000 0.218 145 P C 1.326 178.580 177.300 -0.077 0.000 1.148 145 P CA 0.956 64.067 63.100 0.018 0.000 0.822 145 P CB -0.109 31.598 31.700 0.012 0.000 0.784 146 L N -1.260 119.804 121.223 -0.265 0.000 2.023 146 L HA -0.035 4.307 4.340 0.004 0.000 0.205 146 L C 2.225 178.949 176.870 -0.244 0.000 1.073 146 L CA 1.909 56.434 54.840 -0.525 0.000 0.745 146 L CB -1.373 40.122 42.059 -0.940 0.000 0.900 146 L HN -0.240 nan 8.230 nan 0.000 0.435 147 F N 0.459 120.461 119.950 0.085 0.000 2.269 147 F HA -0.103 4.427 4.527 0.004 0.000 0.301 147 F C 2.468 178.366 175.800 0.162 0.000 1.082 147 F CA 1.139 59.237 58.000 0.164 0.000 1.360 147 F CB -0.857 38.263 39.000 0.199 0.000 1.041 147 F HN 0.248 nan 8.300 nan 0.000 0.512 148 E N -0.590 119.779 120.200 0.281 0.000 2.072 148 E HA -0.214 4.139 4.350 0.004 0.000 0.190 148 E C 2.108 178.822 176.600 0.190 0.000 0.982 148 E CA 0.971 57.493 56.400 0.204 0.000 0.803 148 E CB -0.546 29.243 29.700 0.147 0.000 0.755 148 E HN 0.382 nan 8.360 nan 0.000 0.453 149 F N 1.264 121.227 119.950 0.021 0.000 2.184 149 F HA -0.202 4.328 4.527 0.004 0.000 0.301 149 F C 1.684 177.500 175.800 0.026 0.000 1.076 149 F CA 1.256 59.248 58.000 -0.012 0.000 1.295 149 F CB 0.143 39.088 39.000 -0.091 0.000 1.026 149 F HN -0.068 nan 8.300 nan 0.000 0.494 150 L N -0.602 120.794 121.223 0.288 0.000 2.700 150 L HA 0.296 4.638 4.340 0.004 0.000 0.234 150 L C 1.403 178.426 176.870 0.255 0.000 1.156 150 L CA 0.442 55.445 54.840 0.272 0.000 0.946 150 L CB -0.434 41.846 42.059 0.367 0.000 1.216 150 L HN 0.311 nan 8.230 nan 0.000 0.493 151 G N 0.666 109.570 108.800 0.175 0.000 2.147 151 G HA2 -0.254 3.708 3.960 0.004 0.000 0.244 151 G HA3 -0.254 3.708 3.960 0.004 0.000 0.244 151 G C -0.028 174.964 174.900 0.154 0.000 1.005 151 G CA 0.073 45.251 45.100 0.130 0.000 0.713 151 G HN 0.258 nan 8.290 nan 0.000 0.515 152 L N 0.184 121.535 121.223 0.212 0.000 2.303 152 L HA 0.802 5.144 4.340 0.004 0.000 0.266 152 L C 0.859 177.830 176.870 0.168 0.000 1.011 152 L CA -0.564 54.376 54.840 0.166 0.000 0.818 152 L CB 2.149 44.304 42.059 0.161 0.000 1.326 152 L HN 0.306 nan 8.230 nan 0.000 0.435 153 T N -1.323 113.302 114.554 0.119 0.000 2.925 153 T HA 0.697 5.049 4.350 0.004 0.000 0.285 153 T C -0.508 174.274 174.700 0.137 0.000 1.021 153 T CA -0.734 61.443 62.100 0.128 0.000 1.042 153 T CB 2.086 71.013 68.868 0.097 0.000 1.037 153 T HN 0.195 nan 8.240 nan 0.000 0.481 154 V N 1.458 121.475 119.914 0.172 0.000 2.495 154 V HA 0.770 4.892 4.120 0.004 0.000 0.298 154 V C 0.710 176.907 176.094 0.173 0.000 1.031 154 V CA -0.556 61.873 62.300 0.215 0.000 0.871 154 V CB 1.574 33.580 31.823 0.305 0.000 0.988 154 V HN 1.266 nan 8.190 nan 0.000 0.432 155 G N 3.154 112.054 108.800 0.167 0.000 2.454 155 G HA2 0.727 4.690 3.960 0.004 0.000 0.329 155 G HA3 0.727 4.690 3.960 0.004 0.000 0.329 155 G C -1.532 173.443 174.900 0.124 0.000 1.177 155 G CA -0.580 44.587 45.100 0.111 0.000 0.951 155 G HN 0.578 nan 8.290 nan 0.000 0.485 156 I N 0.378 120.978 120.570 0.050 0.000 2.465 156 I HA 0.518 4.690 4.170 0.004 0.000 0.291 156 I C -1.131 174.947 176.117 -0.065 0.000 1.014 156 I CA -1.258 60.052 61.300 0.017 0.000 1.093 156 I CB 2.040 40.048 38.000 0.014 0.000 1.267 156 I HN 0.370 nan 8.210 nan 0.000 0.431 157 N N 7.477 126.092 118.700 -0.141 0.000 2.392 157 N HA 0.697 5.440 4.740 0.004 0.000 0.283 157 N C -1.869 173.558 175.510 -0.139 0.000 1.003 157 N CA -0.279 52.651 53.050 -0.200 0.000 0.892 157 N CB 1.040 39.260 38.487 -0.445 0.000 1.193 157 N HN 0.615 nan 8.380 nan 0.000 0.487 158 L N 3.044 124.226 121.223 -0.067 0.000 2.393 158 L HA 0.641 4.984 4.340 0.004 0.000 0.260 158 L C -2.235 174.631 176.870 -0.008 0.000 1.002 158 L CA -2.216 52.603 54.840 -0.035 0.000 0.818 158 L CB 2.707 44.756 42.059 -0.017 0.000 1.369 158 L HN 0.441 nan 8.230 nan 0.000 0.412 159 P HA 0.059 nan 4.420 nan 0.000 0.264 159 P C 0.730 178.029 177.300 -0.001 0.000 1.193 159 P CA 0.894 63.998 63.100 0.008 0.000 0.763 159 P CB 0.850 32.559 31.700 0.015 0.000 0.810 160 G N 2.390 111.187 108.800 -0.006 0.000 2.217 160 G HA2 -0.303 3.660 3.960 0.004 0.000 0.246 160 G HA3 -0.303 3.660 3.960 0.004 0.000 0.246 160 G C 0.201 175.105 174.900 0.006 0.000 0.990 160 G CA 0.134 45.231 45.100 -0.005 0.000 0.627 160 G HN 0.603 nan 8.290 nan 0.000 0.522 161 M N 2.586 122.194 119.600 0.013 0.000 2.246 161 M HA 0.413 4.896 4.480 0.004 0.000 0.350 161 M C -1.788 174.530 176.300 0.030 0.000 1.406 161 M CA -1.290 54.023 55.300 0.021 0.000 1.089 161 M CB 0.520 33.134 32.600 0.024 0.000 1.782 161 M HN 0.021 nan 8.290 nan 0.000 0.457 162 P HA 0.056 nan 4.420 nan 0.000 0.268 162 P C -0.385 176.943 177.300 0.047 0.000 1.208 162 P CA -0.008 63.111 63.100 0.032 0.000 0.777 162 P CB 0.518 32.234 31.700 0.027 0.000 0.875 163 A N 4.657 127.505 122.820 0.046 0.000 1.908 163 A HA -0.124 4.198 4.320 0.004 0.000 0.218 163 A C -0.462 177.162 177.584 0.068 0.000 1.181 163 A CA 1.839 53.912 52.037 0.060 0.000 0.627 163 A CB -2.448 16.579 19.000 0.045 0.000 0.818 163 A HN 0.481 nan 8.150 nan 0.000 0.445 164 P HA -0.159 nan 4.420 nan 0.000 0.216 164 P C 1.731 179.072 177.300 0.069 0.000 1.153 164 P CA 2.054 65.188 63.100 0.057 0.000 0.858 164 P CB -0.149 31.576 31.700 0.043 0.000 0.789 165 A N -0.248 122.609 122.820 0.062 0.000 1.902 165 A HA -0.211 4.112 4.320 0.004 0.000 0.217 165 A C 2.162 179.797 177.584 0.085 0.000 1.181 165 A CA 1.760 53.835 52.037 0.062 0.000 0.623 165 A CB -1.088 17.939 19.000 0.045 0.000 0.818 165 A HN 0.110 nan 8.150 nan 0.000 0.443 166 K N -0.625 119.841 120.400 0.109 0.000 2.063 166 K HA -0.133 4.189 4.320 0.004 0.000 0.208 166 K C 2.352 179.130 176.600 0.295 0.000 1.048 166 K CA 1.483 57.883 56.287 0.189 0.000 0.928 166 K CB -0.198 32.432 32.500 0.218 0.000 0.713 166 K HN 0.376 nan 8.250 nan 0.000 0.442 167 R N 0.928 121.556 120.500 0.212 0.000 2.096 167 R HA -0.180 4.162 4.340 0.004 0.000 0.240 167 R C 2.204 178.618 176.300 0.191 0.000 1.139 167 R CA 1.724 57.942 56.100 0.197 0.000 0.952 167 R CB -0.206 30.163 30.300 0.115 0.000 0.854 167 R HN 0.332 nan 8.270 nan 0.000 0.436 168 E N 0.033 120.314 120.200 0.135 0.000 2.058 168 E HA -0.206 4.147 4.350 0.004 0.000 0.194 168 E C 2.018 178.688 176.600 0.116 0.000 0.997 168 E CA 1.269 57.735 56.400 0.110 0.000 0.801 168 E CB -0.121 29.626 29.700 0.080 0.000 0.746 168 E HN 0.377 nan 8.360 nan 0.000 0.450 169 A N 0.369 123.249 122.820 0.099 0.000 1.933 169 A HA -0.175 4.147 4.320 0.004 0.000 0.218 169 A C 1.768 179.369 177.584 0.027 0.000 1.175 169 A CA 1.211 53.264 52.037 0.027 0.000 0.628 169 A CB -0.701 18.255 19.000 -0.073 0.000 0.814 169 A HN 0.294 nan 8.150 nan 0.000 0.444 170 Y N -0.673 119.707 120.300 0.134 0.000 2.516 170 Y HA 0.133 4.684 4.550 0.003 0.000 0.291 170 Y C 2.539 178.538 175.900 0.165 0.000 1.131 170 Y CA 0.639 58.850 58.100 0.185 0.000 1.281 170 Y CB -0.005 38.571 38.460 0.193 0.000 1.013 170 Y HN 0.333 nan 8.280 nan 0.000 0.554 171 A N -0.002 122.970 122.820 0.252 0.000 2.218 171 A HA 0.431 4.754 4.320 0.004 0.000 0.209 171 A C 1.433 179.097 177.584 0.133 0.000 1.168 171 A CA 0.390 52.531 52.037 0.173 0.000 0.804 171 A CB -0.696 18.382 19.000 0.130 0.000 0.834 171 A HN 0.203 nan 8.150 nan 0.000 0.482 172 A N -0.073 122.826 122.820 0.132 0.000 2.346 172 A HA 0.308 4.630 4.320 0.004 0.000 0.252 172 A C 0.814 178.455 177.584 0.094 0.000 1.089 172 A CA 0.121 52.221 52.037 0.104 0.000 0.797 172 A CB 0.208 19.270 19.000 0.103 0.000 1.047 172 A HN 0.347 nan 8.150 nan 0.000 0.494 173 D N -0.359 120.076 120.400 0.059 0.000 2.144 173 D HA -0.054 4.588 4.640 0.004 0.000 0.199 173 D C 0.206 176.509 176.300 0.005 0.000 0.984 173 D CA 1.682 55.693 54.000 0.018 0.000 0.834 173 D CB 0.011 40.800 40.800 -0.018 0.000 0.955 173 D HN 0.489 nan 8.370 nan 0.000 0.465 174 I N -0.150 120.418 120.570 -0.003 0.000 2.619 174 I HA 0.151 4.323 4.170 0.004 0.000 0.292 174 I C -0.557 175.586 176.117 0.044 0.000 1.100 174 I CA -0.362 60.914 61.300 -0.038 0.000 1.043 174 I CB 2.665 40.544 38.000 -0.201 0.000 1.239 174 I HN -0.358 nan 8.210 nan 0.000 0.420 175 T N 4.061 118.629 114.554 0.023 0.000 2.863 175 T HA 0.604 4.956 4.350 0.004 0.000 0.285 175 T C -1.170 173.483 174.700 -0.078 0.000 1.009 175 T CA -0.582 61.551 62.100 0.054 0.000 0.989 175 T CB 1.204 70.120 68.868 0.079 0.000 1.004 175 T HN 0.201 nan 8.240 nan 0.000 0.455 176 Y N 0.304 120.657 120.300 0.088 0.000 2.429 176 Y HA 0.722 5.274 4.550 0.003 0.000 0.342 176 Y C 0.712 176.582 175.900 -0.051 0.000 1.004 176 Y CA -0.434 57.718 58.100 0.085 0.000 1.075 176 Y CB 2.600 41.085 38.460 0.041 0.000 1.214 176 Y HN 0.998 nan 8.280 nan 0.000 0.455 177 G N 0.076 108.900 108.800 0.040 0.000 2.466 177 G HA2 0.410 4.373 3.960 0.004 0.000 0.291 177 G HA3 0.410 4.373 3.960 0.004 0.000 0.291 177 G C -1.120 173.701 174.900 -0.131 0.000 1.460 177 G CA -0.937 43.993 45.100 -0.282 0.000 0.791 177 G HN 0.600 nan 8.290 nan 0.000 0.505 178 T N -0.747 113.733 114.554 -0.123 0.000 2.868 178 T HA 0.277 4.629 4.350 0.004 0.000 0.292 178 T C 1.794 176.587 174.700 0.156 0.000 1.028 178 T CA 0.320 62.441 62.100 0.034 0.000 1.059 178 T CB 1.156 70.056 68.868 0.052 0.000 0.991 178 T HN 0.764 nan 8.240 nan 0.000 0.531 179 N N 2.898 121.755 118.700 0.261 0.000 2.060 179 N HA -0.258 4.484 4.740 0.004 0.000 0.195 179 N C 1.272 177.031 175.510 0.414 0.000 1.028 179 N CA 1.883 55.190 53.050 0.428 0.000 0.861 179 N CB -1.158 37.398 38.487 0.115 0.000 1.029 179 N HN 0.711 nan 8.380 nan 0.000 0.428 180 N N 0.737 119.627 118.700 0.315 0.000 2.061 180 N HA -0.197 4.545 4.740 0.004 0.000 0.193 180 N C 1.561 177.184 175.510 0.189 0.000 1.030 180 N CA 1.620 54.852 53.050 0.303 0.000 0.856 180 N CB -0.230 38.458 38.487 0.335 0.000 1.023 180 N HN 0.424 nan 8.380 nan 0.000 0.424 181 E N 0.463 120.777 120.200 0.190 0.000 2.072 181 E HA -0.082 4.270 4.350 0.004 0.000 0.190 181 E C 1.635 178.310 176.600 0.126 0.000 0.982 181 E CA 0.786 57.288 56.400 0.170 0.000 0.803 181 E CB -0.229 29.491 29.700 0.033 0.000 0.755 181 E HN 0.304 nan 8.360 nan 0.000 0.453 182 Y N 0.027 120.409 120.300 0.138 0.000 2.069 182 Y HA -0.181 4.371 4.550 0.003 0.000 0.278 182 Y C 2.402 178.182 175.900 -0.200 0.000 1.175 182 Y CA 1.711 59.883 58.100 0.121 0.000 1.134 182 Y CB -1.188 37.433 38.460 0.269 0.000 0.965 182 Y HN 0.217 nan 8.280 nan 0.000 0.498 183 G N -1.283 107.279 108.800 -0.397 0.000 2.418 183 G HA2 -0.232 3.730 3.960 0.004 0.000 0.217 183 G HA3 -0.232 3.730 3.960 0.004 0.000 0.217 183 G C 1.475 176.194 174.900 -0.302 0.000 1.158 183 G CA 0.798 45.399 45.100 -0.831 0.000 0.771 183 G HN 0.290 nan 8.290 nan 0.000 0.545 184 F N 1.590 121.500 119.950 -0.066 0.000 2.134 184 F HA 0.008 4.537 4.527 0.003 0.000 0.299 184 F C 2.438 178.253 175.800 0.025 0.000 1.097 184 F CA 1.138 59.135 58.000 -0.005 0.000 1.264 184 F CB -0.299 38.708 39.000 0.012 0.000 1.001 184 F HN 0.074 nan 8.300 nan 0.000 0.479 185 D N -1.219 119.322 120.400 0.235 0.000 2.144 185 D HA -0.238 4.404 4.640 0.004 0.000 0.199 185 D C 2.078 178.439 176.300 0.101 0.000 0.984 185 D CA 1.120 55.220 54.000 0.166 0.000 0.834 185 D CB -0.657 40.277 40.800 0.224 0.000 0.955 185 D HN 0.309 nan 8.370 nan 0.000 0.465 186 Y N 1.448 121.772 120.300 0.040 0.000 2.165 186 Y HA -0.180 4.372 4.550 0.004 0.000 0.286 186 Y C 2.216 178.140 175.900 0.040 0.000 1.155 186 Y CA 1.356 59.490 58.100 0.058 0.000 1.164 186 Y CB -0.378 38.183 38.460 0.170 0.000 0.978 186 Y HN -0.075 nan 8.280 nan 0.000 0.513 187 L N -0.418 120.824 121.223 0.032 0.000 2.027 187 L HA -0.213 4.129 4.340 0.004 0.000 0.206 187 L C 2.616 179.441 176.870 -0.076 0.000 1.074 187 L CA 1.568 56.418 54.840 0.017 0.000 0.745 187 L CB -0.545 41.614 42.059 0.167 0.000 0.898 187 L HN 0.136 nan 8.230 nan 0.000 0.433 188 R N -0.114 120.379 120.500 -0.011 0.000 2.115 188 R HA -0.143 4.199 4.340 0.004 0.000 0.230 188 R C 1.809 178.045 176.300 -0.107 0.000 1.111 188 R CA 1.269 57.354 56.100 -0.024 0.000 0.976 188 R CB -0.326 29.989 30.300 0.024 0.000 0.870 188 R HN 0.312 nan 8.270 nan 0.000 0.445 189 D N 0.421 120.721 120.400 -0.166 0.000 2.182 189 D HA -0.118 4.524 4.640 0.004 0.000 0.201 189 D C 1.032 177.127 176.300 -0.342 0.000 0.986 189 D CA 1.037 54.901 54.000 -0.226 0.000 0.847 189 D CB -0.184 40.474 40.800 -0.237 0.000 0.942 189 D HN 0.159 nan 8.370 nan 0.000 0.467 190 N N -0.476 117.928 118.700 -0.492 0.000 2.314 190 N HA 0.106 4.848 4.740 0.004 0.000 0.200 190 N C 0.789 175.986 175.510 -0.522 0.000 1.135 190 N CA 0.103 52.726 53.050 -0.712 0.000 0.835 190 N CB 0.429 38.107 38.487 -1.348 0.000 0.989 190 N HN 0.288 nan 8.380 nan 0.000 0.478 191 M N -0.337 119.090 119.600 -0.287 0.000 2.306 191 M HA 0.254 4.736 4.480 0.004 0.000 0.292 191 M C 0.412 176.659 176.300 -0.088 0.000 1.018 191 M CA -0.200 55.014 55.300 -0.144 0.000 1.007 191 M CB 0.946 33.542 32.600 -0.006 0.000 1.510 191 M HN -0.093 nan 8.290 nan 0.000 0.537 192 A N -0.048 122.687 122.820 -0.141 0.000 2.445 192 A HA 0.291 4.613 4.320 0.004 0.000 0.242 192 A C 0.049 177.524 177.584 -0.183 0.000 1.075 192 A CA 0.154 52.158 52.037 -0.054 0.000 0.777 192 A CB 0.010 18.965 19.000 -0.076 0.000 1.013 192 A HN 0.430 nan 8.150 nan 0.000 0.493 193 F N 0.739 120.664 119.950 -0.042 0.000 2.721 193 F HA 0.183 4.712 4.527 0.003 0.000 0.301 193 F C 1.264 177.059 175.800 -0.009 0.000 1.096 193 F CA 1.064 59.050 58.000 -0.025 0.000 1.308 193 F CB 0.436 39.431 39.000 -0.009 0.000 1.086 193 F HN 0.592 nan 8.300 nan 0.000 0.587 194 S N -1.175 114.585 115.700 0.099 0.000 2.541 194 S HA 0.411 4.884 4.470 0.004 0.000 0.271 194 S C -2.414 172.192 174.600 0.010 0.000 1.133 194 S CA -1.310 56.926 58.200 0.060 0.000 0.876 194 S CB 2.039 65.297 63.200 0.097 0.000 1.105 194 S HN -0.230 nan 8.310 nan 0.000 0.470 195 P HA -0.066 nan 4.420 nan 0.000 0.223 195 P C 1.081 178.375 177.300 -0.010 0.000 1.151 195 P CA 1.073 64.158 63.100 -0.024 0.000 0.787 195 P CB -0.048 31.638 31.700 -0.024 0.000 0.788 196 E N 0.729 120.936 120.200 0.011 0.000 2.418 196 E HA -0.141 4.212 4.350 0.004 0.000 0.197 196 E C 1.400 178.009 176.600 0.015 0.000 1.026 196 E CA 0.748 57.157 56.400 0.015 0.000 0.862 196 E CB -0.765 28.950 29.700 0.024 0.000 0.799 196 E HN 0.388 nan 8.360 nan 0.000 0.518 197 E N 1.004 121.213 120.200 0.014 0.000 2.274 197 E HA -0.004 4.348 4.350 0.004 0.000 0.194 197 E C 0.466 177.062 176.600 -0.007 0.000 0.996 197 E CA 0.011 56.419 56.400 0.014 0.000 0.840 197 E CB 0.058 29.776 29.700 0.030 0.000 0.772 197 E HN 0.175 nan 8.360 nan 0.000 0.491 198 R N 0.733 121.215 120.500 -0.030 0.000 2.698 198 R HA -0.018 4.324 4.340 0.004 0.000 0.266 198 R C 1.333 177.604 176.300 -0.049 0.000 1.026 198 R CA 0.037 56.102 56.100 -0.059 0.000 1.102 198 R CB 0.785 31.040 30.300 -0.074 0.000 0.978 198 R HN 0.062 nan 8.270 nan 0.000 0.436 199 V N -0.846 119.014 119.914 -0.091 0.000 3.379 199 V HA 0.077 4.199 4.120 0.004 0.000 0.249 199 V C 0.588 176.512 176.094 -0.284 0.000 1.184 199 V CA 0.276 62.527 62.300 -0.083 0.000 1.106 199 V CB -0.043 31.781 31.823 0.003 0.000 0.826 199 V HN 0.566 nan 8.190 nan 0.000 0.465 200 Q N 1.007 120.548 119.800 -0.430 0.000 2.256 200 Q HA 0.520 4.862 4.340 0.004 0.000 0.232 200 Q C -0.477 175.448 176.000 -0.125 0.000 0.965 200 Q CA -0.591 54.906 55.803 -0.511 0.000 0.908 200 Q CB 1.578 30.095 28.738 -0.368 0.000 1.209 200 Q HN 0.443 nan 8.270 nan 0.000 0.489 201 R N 0.587 121.092 120.500 0.008 0.000 2.608 201 R HA 0.254 4.596 4.340 0.004 0.000 0.255 201 R C -0.172 176.148 176.300 0.034 0.000 1.086 201 R CA -0.874 55.253 56.100 0.046 0.000 1.125 201 R CB 0.621 30.983 30.300 0.103 0.000 1.193 201 R HN 0.446 nan 8.270 nan 0.000 0.553 202 K N 1.440 121.847 120.400 0.011 0.000 2.524 202 K HA -0.049 4.274 4.320 0.004 0.000 0.279 202 K C -0.549 176.024 176.600 -0.045 0.000 0.993 202 K CA 0.208 56.487 56.287 -0.014 0.000 1.030 202 K CB 0.282 32.774 32.500 -0.013 0.000 0.891 202 K HN 0.374 nan 8.250 nan 0.000 0.488 203 L N 6.003 127.131 121.223 -0.159 0.000 2.407 203 L HA 0.076 4.418 4.340 0.004 0.000 0.282 203 L C 1.412 178.167 176.870 -0.192 0.000 1.110 203 L CA -0.229 54.363 54.840 -0.413 0.000 0.863 203 L CB 0.302 41.755 42.059 -1.010 0.000 1.207 203 L HN 0.821 nan 8.230 nan 0.000 0.454 204 H N 4.076 123.072 119.070 -0.124 0.000 2.315 204 H HA 0.054 4.613 4.556 0.005 0.000 0.318 204 H C -0.701 174.763 175.328 0.226 0.000 1.068 204 H CA 0.186 56.253 56.048 0.030 0.000 1.465 204 H CB 0.777 30.537 29.762 -0.004 0.000 1.475 204 H HN 0.454 nan 8.280 nan 0.000 0.597 205 Y N 0.813 120.978 120.300 -0.224 0.000 2.386 205 Y HA 0.542 5.094 4.550 0.003 0.000 0.334 205 Y C -1.493 174.218 175.900 -0.314 0.000 1.002 205 Y CA -0.993 56.895 58.100 -0.355 0.000 1.068 205 Y CB 1.361 39.506 38.460 -0.525 0.000 1.203 205 Y HN 0.351 nan 8.280 nan 0.000 0.443 206 A N 6.295 128.574 122.820 -0.901 0.000 2.304 206 A HA 0.671 4.993 4.320 0.004 0.000 0.314 206 A C -2.189 174.760 177.584 -1.059 0.000 1.187 206 A CA -0.634 50.778 52.037 -1.042 0.000 0.810 206 A CB 0.872 19.072 19.000 -1.334 0.000 1.183 206 A HN 0.673 nan 8.150 nan 0.000 0.487 207 L N 4.116 124.803 121.223 -0.892 0.000 2.294 207 L HA 0.606 4.948 4.340 0.004 0.000 0.283 207 L C -0.992 175.626 176.870 -0.421 0.000 1.015 207 L CA -0.252 54.184 54.840 -0.675 0.000 0.831 207 L CB 1.468 43.202 42.059 -0.542 0.000 1.217 207 L HN 0.372 nan 8.230 nan 0.000 0.420 208 V N 5.739 125.404 119.914 -0.416 0.000 2.350 208 V HA 0.268 4.390 4.120 0.004 0.000 0.276 208 V C 0.488 176.432 176.094 -0.249 0.000 1.028 208 V CA -0.376 61.696 62.300 -0.380 0.000 0.860 208 V CB 1.156 32.653 31.823 -0.544 0.000 0.990 208 V HN 0.693 nan 8.190 nan 0.000 0.453 209 D N 3.282 123.588 120.400 -0.157 0.000 2.224 209 D HA -0.044 4.598 4.640 0.004 0.000 0.205 209 D C 0.860 177.103 176.300 -0.095 0.000 0.965 209 D CA 1.008 54.951 54.000 -0.095 0.000 0.852 209 D CB 0.372 41.154 40.800 -0.030 0.000 0.947 209 D HN 0.879 nan 8.370 nan 0.000 0.494 210 E N -0.501 119.631 120.200 -0.112 0.000 2.432 210 E HA 0.239 4.592 4.350 0.004 0.000 0.272 210 E C 0.552 177.087 176.600 -0.109 0.000 0.937 210 E CA -0.390 55.955 56.400 -0.092 0.000 0.812 210 E CB 1.374 31.043 29.700 -0.051 0.000 1.377 210 E HN -0.083 nan 8.360 nan 0.000 0.399 211 V N 0.029 119.866 119.914 -0.128 0.000 2.871 211 V HA -0.101 4.021 4.120 0.004 0.000 0.256 211 V C 1.253 177.406 176.094 0.098 0.000 1.082 211 V CA 1.273 63.507 62.300 -0.109 0.000 1.105 211 V CB -0.368 31.288 31.823 -0.277 0.000 0.713 211 V HN 0.448 nan 8.190 nan 0.000 0.473 212 D N 2.193 122.666 120.400 0.121 0.000 2.092 212 D HA -0.153 4.489 4.640 0.004 0.000 0.193 212 D C 2.555 178.877 176.300 0.038 0.000 0.994 212 D CA 2.371 56.444 54.000 0.123 0.000 0.828 212 D CB -0.311 40.533 40.800 0.074 0.000 0.963 212 D HN 0.719 nan 8.370 nan 0.000 0.450 213 S N -0.016 115.684 115.700 0.001 0.000 2.362 213 S HA -0.009 4.463 4.470 0.004 0.000 0.221 213 S C 2.311 176.881 174.600 -0.051 0.000 1.032 213 S CA 0.301 58.488 58.200 -0.021 0.000 0.973 213 S CB -0.554 62.628 63.200 -0.030 0.000 0.849 213 S HN 0.203 nan 8.310 nan 0.000 0.465 214 I N 1.109 121.622 120.570 -0.095 0.000 2.315 214 I HA -0.031 4.142 4.170 0.004 0.000 0.248 214 I C 2.187 178.231 176.117 -0.123 0.000 1.117 214 I CA 1.139 62.330 61.300 -0.181 0.000 1.404 214 I CB -0.166 37.688 38.000 -0.244 0.000 1.071 214 I HN 0.261 nan 8.210 nan 0.000 0.419 215 L N -0.606 120.584 121.223 -0.055 0.000 2.425 215 L HA 0.061 4.403 4.340 0.004 0.000 0.215 215 L C 2.122 179.110 176.870 0.197 0.000 1.065 215 L CA 0.219 55.086 54.840 0.046 0.000 0.842 215 L CB 0.152 42.119 42.059 -0.154 0.000 1.033 215 L HN 0.137 nan 8.230 nan 0.000 0.474 216 I N -0.381 120.236 120.570 0.079 0.000 2.726 216 I HA -0.053 4.120 4.170 0.004 0.000 0.243 216 I C 1.898 178.037 176.117 0.036 0.000 1.082 216 I CA 0.939 62.234 61.300 -0.009 0.000 1.447 216 I CB -0.940 36.946 38.000 -0.190 0.000 1.250 216 I HN 0.118 nan 8.210 nan 0.000 0.453 217 D N 1.287 121.702 120.400 0.024 0.000 2.144 217 D HA -0.145 4.497 4.640 0.004 0.000 0.199 217 D C 1.550 177.893 176.300 0.071 0.000 0.984 217 D CA 1.190 55.209 54.000 0.032 0.000 0.834 217 D CB 0.006 40.816 40.800 0.018 0.000 0.955 217 D HN 0.460 nan 8.370 nan 0.000 0.465 218 E N 0.020 120.273 120.200 0.087 0.000 2.465 218 E HA 0.262 4.614 4.350 0.004 0.000 0.195 218 E C 1.680 178.460 176.600 0.300 0.000 1.028 218 E CA -0.115 56.382 56.400 0.161 0.000 0.899 218 E CB 0.616 30.344 29.700 0.046 0.000 1.032 218 E HN 0.086 nan 8.360 nan 0.000 0.468 219 A N 1.961 124.935 122.820 0.257 0.000 1.915 219 A HA -0.256 4.066 4.320 0.004 0.000 0.220 219 A C 2.062 179.808 177.584 0.270 0.000 1.198 219 A CA 1.516 53.739 52.037 0.310 0.000 0.647 219 A CB -0.302 18.824 19.000 0.209 0.000 0.825 219 A HN 0.137 nan 8.150 nan 0.000 0.456 220 R N -0.844 119.768 120.500 0.187 0.000 2.334 220 R HA 0.081 4.423 4.340 0.004 0.000 0.216 220 R C -0.281 176.083 176.300 0.106 0.000 0.905 220 R CA 0.158 56.329 56.100 0.117 0.000 1.064 220 R CB -0.053 30.288 30.300 0.069 0.000 1.046 220 R HN 0.363 nan 8.270 nan 0.000 0.508 221 T N 4.462 119.127 114.554 0.186 0.000 2.784 221 T HA 0.101 4.453 4.350 0.004 0.000 0.291 221 T C -2.384 172.290 174.700 -0.043 0.000 0.942 221 T CA -0.877 61.309 62.100 0.143 0.000 1.161 221 T CB 0.949 70.027 68.868 0.350 0.000 0.885 221 T HN 0.013 nan 8.240 nan 0.000 0.534 222 P HA 0.280 nan 4.420 nan 0.000 0.281 222 P C -0.486 176.688 177.300 -0.210 0.000 1.252 222 P CA -0.455 62.563 63.100 -0.136 0.000 0.778 222 P CB 0.518 32.180 31.700 -0.064 0.000 0.895 223 L N 4.583 125.583 121.223 -0.372 0.000 2.276 223 L HA 0.493 4.835 4.340 0.004 0.000 0.286 223 L C 0.328 177.142 176.870 -0.092 0.000 1.061 223 L CA -0.338 54.269 54.840 -0.389 0.000 0.807 223 L CB 0.395 41.959 42.059 -0.825 0.000 1.177 223 L HN 0.251 nan 8.230 nan 0.000 0.429 224 I N 4.382 125.042 120.570 0.151 0.000 2.499 224 I HA 0.397 4.569 4.170 0.004 0.000 0.288 224 I C -0.461 175.811 176.117 0.259 0.000 1.048 224 I CA -0.436 60.960 61.300 0.159 0.000 1.062 224 I CB 2.672 40.721 38.000 0.082 0.000 1.238 224 I HN 0.455 nan 8.210 nan 0.000 0.426 225 I N 4.990 125.678 120.570 0.197 0.000 2.336 225 I HA 0.360 4.533 4.170 0.004 0.000 0.292 225 I C -0.080 176.083 176.117 0.076 0.000 0.991 225 I CA -0.013 61.363 61.300 0.127 0.000 1.227 225 I CB 1.526 39.605 38.000 0.132 0.000 1.366 225 I HN 0.524 nan 8.210 nan 0.000 0.466 226 S N 3.498 119.223 115.700 0.041 0.000 2.600 226 S HA 0.927 5.399 4.470 0.004 0.000 0.300 226 S C -0.122 174.491 174.600 0.021 0.000 1.087 226 S CA -0.814 57.401 58.200 0.026 0.000 0.965 226 S CB 2.287 65.496 63.200 0.015 0.000 1.089 226 S HN 0.876 nan 8.310 nan 0.000 0.496 227 G N 0.431 109.243 108.800 0.021 0.000 2.703 227 G HA2 0.537 4.499 3.960 0.004 0.000 0.294 227 G HA3 0.537 4.499 3.960 0.004 0.000 0.294 227 G C -3.091 171.823 174.900 0.022 0.000 1.451 227 G CA -1.142 43.972 45.100 0.022 0.000 0.869 227 G HN 0.379 nan 8.290 nan 0.000 0.516 228 P HA -0.027 nan 4.420 nan 0.000 0.216 228 P C 1.788 179.104 177.300 0.028 0.000 1.153 228 P CA 1.792 64.905 63.100 0.022 0.000 0.848 228 P CB 0.151 31.863 31.700 0.018 0.000 0.787 229 A N -0.825 122.013 122.820 0.030 0.000 2.159 229 A HA -0.257 4.066 4.320 0.004 0.000 0.291 229 A C 0.541 178.151 177.584 0.043 0.000 1.319 229 A CA 1.053 53.113 52.037 0.039 0.000 0.935 229 A CB -1.853 17.176 19.000 0.048 0.000 0.993 229 A HN 0.240 nan 8.150 nan 0.000 0.354 230 E N -0.198 120.026 120.200 0.040 0.000 2.622 230 E HA 0.368 4.721 4.350 0.004 0.000 0.255 230 E C 1.317 177.945 176.600 0.047 0.000 1.313 230 E CA 0.255 56.683 56.400 0.046 0.000 1.011 230 E CB 0.351 30.081 29.700 0.050 0.000 1.173 230 E HN 0.573 nan 8.360 nan 0.000 0.601 231 D N -1.358 119.073 120.400 0.051 0.000 2.995 231 D HA 0.121 4.764 4.640 0.004 0.000 0.289 231 D C 0.499 176.825 176.300 0.042 0.000 1.116 231 D CA 0.099 54.126 54.000 0.046 0.000 0.994 231 D CB 0.160 40.989 40.800 0.049 0.000 1.209 231 D HN 0.141 nan 8.370 nan 0.000 0.458 281 L N 0.849 122.088 121.223 0.028 0.000 2.079 281 L HA -0.162 4.180 4.340 0.004 0.000 0.210 281 L C 2.471 179.363 176.870 0.038 0.000 1.081 281 L CA 2.128 56.983 54.840 0.025 0.000 0.752 281 L CB -0.806 41.263 42.059 0.016 0.000 0.896 281 L HN 0.541 nan 8.230 nan 0.000 0.433 282 I N 0.515 121.123 120.570 0.064 0.000 2.181 282 I HA -0.347 3.826 4.170 0.004 0.000 0.247 282 I C 2.554 178.697 176.117 0.044 0.000 1.081 282 I CA 1.700 63.050 61.300 0.084 0.000 1.340 282 I CB -0.468 37.614 38.000 0.137 0.000 1.036 282 I HN 0.347 nan 8.210 nan 0.000 0.417 283 E N 0.623 120.841 120.200 0.030 0.000 2.007 283 E HA -0.260 4.092 4.350 0.004 0.000 0.194 283 E C 2.064 178.671 176.600 0.011 0.000 0.999 283 E CA 1.885 58.294 56.400 0.015 0.000 0.811 283 E CB -0.389 29.319 29.700 0.013 0.000 0.762 283 E HN 0.762 nan 8.360 nan 0.000 0.450 284 E N 0.845 121.051 120.200 0.011 0.000 2.152 284 E HA -0.155 4.198 4.350 0.004 0.000 0.192 284 E C 2.456 179.061 176.600 0.008 0.000 0.983 284 E CA 0.443 56.847 56.400 0.008 0.000 0.818 284 E CB -0.643 29.061 29.700 0.006 0.000 0.758 284 E HN 0.232 nan 8.360 nan 0.000 0.467 285 L N 1.054 122.285 121.223 0.014 0.000 1.970 285 L HA -0.179 4.163 4.340 0.004 0.000 0.212 285 L C 2.876 179.754 176.870 0.014 0.000 1.071 285 L CA 1.567 56.417 54.840 0.016 0.000 0.751 285 L CB -0.695 41.380 42.059 0.026 0.000 0.889 285 L HN 0.121 nan 8.230 nan 0.000 0.432 286 L N -0.800 120.432 121.223 0.015 0.000 1.971 286 L HA -0.187 4.155 4.340 0.004 0.000 0.215 286 L C 1.103 177.973 176.870 -0.000 0.000 1.072 286 L CA 0.718 55.561 54.840 0.004 0.000 0.758 286 L CB -0.100 41.954 42.059 -0.007 0.000 0.889 286 L HN 0.015 nan 8.230 nan 0.000 0.433 287 V N 2.554 122.468 119.914 -0.000 0.000 2.557 287 V HA 0.049 4.171 4.120 0.004 0.000 0.301 287 V C 0.066 176.159 176.094 -0.001 0.000 1.026 287 V CA 0.468 62.767 62.300 -0.002 0.000 1.137 287 V CB -0.618 31.204 31.823 -0.001 0.000 0.917 287 V HN 0.572 nan 8.190 nan 0.000 0.484 288 K N 4.407 124.805 120.400 -0.003 0.000 10.345 288 K HA -0.071 4.252 4.320 0.004 0.000 1.118 288 K C -0.848 175.750 176.600 -0.003 0.000 2.553 288 K CA -0.029 56.256 56.287 -0.003 0.000 0.997 288 K CB -0.683 31.815 32.500 -0.002 0.000 1.478 288 K HN 0.824 nan 8.250 nan 0.000 0.425 289 E N -1.740 118.458 120.200 -0.004 0.000 6.196 289 E HA -0.057 4.295 4.350 0.004 0.000 0.553 289 E C 0.642 177.239 176.600 -0.005 0.000 1.416 289 E CA 0.772 57.169 56.400 -0.005 0.000 3.029 289 E CB -1.624 28.072 29.700 -0.007 0.000 0.792 289 E HN 1.013 nan 8.360 nan 0.000 0.262 290 G N -0.340 108.456 108.800 -0.006 0.000 2.421 290 G HA2 0.125 4.087 3.960 0.004 0.000 0.217 290 G HA3 0.125 4.087 3.960 0.004 0.000 0.217 290 G C 0.638 175.536 174.900 -0.004 0.000 1.143 290 G CA 0.870 45.967 45.100 -0.005 0.000 0.784 290 G HN 0.183 nan 8.290 nan 0.000 0.541 291 I N -0.105 120.462 120.570 -0.005 0.000 2.474 291 I HA 0.461 4.634 4.170 0.004 0.000 0.294 291 I C 0.068 176.185 176.117 -0.000 0.000 1.005 291 I CA -0.595 60.704 61.300 -0.001 0.000 1.113 291 I CB 1.746 39.746 38.000 0.001 0.000 1.289 291 I HN 0.024 nan 8.210 nan 0.000 0.436 292 M N 6.231 125.831 119.600 0.001 0.000 4.046 292 M HA -0.216 4.266 4.480 0.004 0.000 0.157 292 M C -1.091 175.206 176.300 -0.005 0.000 1.532 292 M CA 0.862 56.161 55.300 -0.002 0.000 1.097 292 M CB -0.270 32.331 32.600 0.002 0.000 1.346 292 M HN 1.007 nan 8.290 nan 0.000 0.191 293 D N 0.710 121.106 120.400 -0.007 0.000 2.284 293 D HA -0.063 4.579 4.640 0.004 0.000 0.708 293 D C 0.680 176.975 176.300 -0.009 0.000 0.639 293 D CA 0.378 54.374 54.000 -0.007 0.000 1.234 293 D CB -0.645 40.153 40.800 -0.004 0.000 1.368 293 D HN 0.623 nan 8.370 nan 0.000 0.350 294 E N 2.676 122.869 120.200 -0.011 0.000 2.153 294 E HA 0.117 4.469 4.350 0.004 0.000 0.194 294 E C 1.350 177.940 176.600 -0.016 0.000 0.988 294 E CA 2.321 58.713 56.400 -0.013 0.000 0.811 294 E CB -0.470 29.221 29.700 -0.016 0.000 0.746 294 E HN 0.649 nan 8.360 nan 0.000 0.466 295 G N 0.458 109.246 108.800 -0.020 0.000 2.919 295 G HA2 -0.187 3.775 3.960 0.004 0.000 0.225 295 G HA3 -0.187 3.775 3.960 0.004 0.000 0.225 295 G C -0.664 174.215 174.900 -0.035 0.000 1.117 295 G CA 0.026 45.110 45.100 -0.026 0.000 1.033 295 G HN 0.274 nan 8.290 nan 0.000 0.532 296 E N 0.628 120.804 120.200 -0.040 0.000 2.224 296 E HA 0.539 4.891 4.350 0.004 0.000 0.265 296 E C 0.166 176.725 176.600 -0.069 0.000 0.878 296 E CA -0.570 55.801 56.400 -0.048 0.000 0.759 296 E CB 1.507 31.187 29.700 -0.033 0.000 1.164 296 E HN 0.253 nan 8.360 nan 0.000 0.414 297 S N 4.008 119.645 115.700 -0.104 0.000 2.629 297 S HA -0.085 4.388 4.470 0.004 0.000 0.302 297 S C 1.351 175.856 174.600 -0.158 0.000 1.244 297 S CA -0.285 57.800 58.200 -0.192 0.000 1.098 297 S CB 0.079 63.127 63.200 -0.253 0.000 0.858 297 S HN 0.591 nan 8.310 nan 0.000 0.502 298 L N 6.631 127.768 121.223 -0.144 0.000 2.189 298 L HA -0.052 4.290 4.340 0.004 0.000 0.214 298 L C 0.836 177.743 176.870 0.062 0.000 1.097 298 L CA 1.743 56.572 54.840 -0.017 0.000 0.764 298 L CB -0.500 41.594 42.059 0.059 0.000 0.900 298 L HN 0.913 nan 8.230 nan 0.000 0.436 299 Y N -1.269 119.041 120.300 0.017 0.000 2.724 299 Y HA 0.630 5.182 4.550 0.004 0.000 0.370 299 Y C 0.528 176.443 175.900 0.025 0.000 0.978 299 Y CA -1.027 57.086 58.100 0.020 0.000 1.443 299 Y CB -1.367 37.102 38.460 0.014 0.000 1.386 299 Y HN 0.067 nan 8.280 nan 0.000 0.557 300 S N -0.444 115.273 115.700 0.027 0.000 2.592 300 S HA 0.258 4.730 4.470 0.004 0.000 0.271 300 S C -1.772 172.880 174.600 0.085 0.000 1.326 300 S CA -1.121 57.105 58.200 0.042 0.000 1.024 300 S CB 1.471 64.675 63.200 0.006 0.000 0.921 300 S HN 0.165 nan 8.310 nan 0.000 0.527 301 P HA -0.193 nan 4.420 nan 0.000 0.216 301 P C 1.739 179.083 177.300 0.073 0.000 1.157 301 P CA 2.091 65.240 63.100 0.081 0.000 0.880 301 P CB -0.361 31.380 31.700 0.068 0.000 0.791 302 A N 0.077 122.933 122.820 0.059 0.000 1.923 302 A HA -0.274 4.048 4.320 0.004 0.000 0.222 302 A C 1.684 179.305 177.584 0.062 0.000 1.258 302 A CA 2.458 54.526 52.037 0.053 0.000 0.670 302 A CB -1.587 17.433 19.000 0.033 0.000 0.834 302 A HN 0.243 nan 8.150 nan 0.000 0.470 303 N N -0.857 117.882 118.700 0.064 0.000 2.327 303 N HA 0.160 4.902 4.740 0.004 0.000 0.231 303 N C 0.866 176.436 175.510 0.100 0.000 1.130 303 N CA 0.163 53.257 53.050 0.074 0.000 0.845 303 N CB 0.287 38.806 38.487 0.054 0.000 1.073 303 N HN 0.538 nan 8.380 nan 0.000 0.496 304 I N 0.607 121.240 120.570 0.106 0.000 2.252 304 I HA -0.151 4.021 4.170 0.004 0.000 0.245 304 I C 1.873 178.071 176.117 0.135 0.000 1.102 304 I CA 1.286 62.657 61.300 0.118 0.000 1.385 304 I CB 0.106 38.177 38.000 0.118 0.000 1.064 304 I HN -0.020 nan 8.210 nan 0.000 0.414 305 M N -0.342 119.350 119.600 0.154 0.000 2.117 305 M HA -0.184 4.298 4.480 0.004 0.000 0.262 305 M C 2.409 178.852 176.300 0.239 0.000 1.065 305 M CA 1.677 57.091 55.300 0.189 0.000 1.114 305 M CB -1.493 31.221 32.600 0.191 0.000 1.361 305 M HN 0.330 nan 8.290 nan 0.000 0.408 306 L N -0.255 121.102 121.223 0.223 0.000 1.990 306 L HA -0.288 4.054 4.340 0.004 0.000 0.213 306 L C 2.608 179.576 176.870 0.165 0.000 1.072 306 L CA 1.659 56.625 54.840 0.210 0.000 0.755 306 L CB -0.349 41.783 42.059 0.122 0.000 0.889 306 L HN 0.285 nan 8.230 nan 0.000 0.432 307 M N -1.069 118.601 119.600 0.116 0.000 2.279 307 M HA -0.251 4.231 4.480 0.004 0.000 0.264 307 M C 1.997 178.300 176.300 0.004 0.000 1.062 307 M CA 1.891 57.235 55.300 0.074 0.000 1.099 307 M CB -0.636 32.022 32.600 0.097 0.000 1.394 307 M HN 0.342 nan 8.290 nan 0.000 0.426 308 H N -1.410 117.582 119.070 -0.130 0.000 2.428 308 H HA -0.079 4.479 4.556 0.004 0.000 0.296 308 H C 1.894 177.063 175.328 -0.265 0.000 1.062 308 H CA 1.978 57.828 56.048 -0.330 0.000 1.350 308 H CB -0.111 29.267 29.762 -0.639 0.000 1.403 308 H HN 0.488 nan 8.280 nan 0.000 0.533 309 H N -0.368 118.645 119.070 -0.095 0.000 2.321 309 H HA -0.119 4.439 4.556 0.004 0.000 0.300 309 H C 2.550 177.801 175.328 -0.129 0.000 1.087 309 H CA 1.944 57.930 56.048 -0.103 0.000 1.319 309 H CB -0.407 29.354 29.762 -0.002 0.000 1.379 309 H HN 0.477 nan 8.280 nan 0.000 0.501 310 V N -0.892 119.036 119.914 0.024 0.000 2.379 310 V HA -0.147 3.975 4.120 0.004 0.000 0.245 310 V C 2.218 178.266 176.094 -0.077 0.000 1.044 310 V CA 2.109 64.401 62.300 -0.012 0.000 1.036 310 V CB -1.083 30.747 31.823 0.012 0.000 0.664 310 V HN 0.233 nan 8.190 nan 0.000 0.453 311 T N 1.116 115.590 114.554 -0.132 0.000 2.751 311 T HA -0.247 4.105 4.350 0.004 0.000 0.268 311 T C 1.960 176.527 174.700 -0.221 0.000 1.045 311 T CA 2.466 64.451 62.100 -0.192 0.000 1.142 311 T CB -0.602 68.096 68.868 -0.283 0.000 0.851 311 T HN 0.873 nan 8.240 nan 0.000 0.474 312 A N 0.704 123.366 122.820 -0.263 0.000 1.935 312 A HA 0.585 4.907 4.320 0.004 0.000 0.214 312 A C 1.546 179.071 177.584 -0.098 0.000 1.178 312 A CA 0.842 52.749 52.037 -0.216 0.000 0.640 312 A CB -0.524 18.322 19.000 -0.258 0.000 0.825 312 A HN 0.560 nan 8.150 nan 0.000 0.447 367 N N 0.493 119.213 118.700 0.033 0.000 2.454 367 N HA -0.110 4.633 4.740 0.004 0.000 0.321 367 N C -1.136 174.400 175.510 0.044 0.000 0.690 367 N CA 1.265 54.337 53.050 0.037 0.000 0.556 367 N CB 0.990 39.495 38.487 0.030 0.000 2.430 367 N HN 0.414 nan 8.380 nan 0.000 1.189 368 E N 1.333 121.556 120.200 0.038 0.000 8.078 368 E HA -0.202 4.151 4.350 0.004 0.000 0.466 368 E C -1.698 174.922 176.600 0.034 0.000 0.790 368 E CA 0.714 57.138 56.400 0.040 0.000 1.391 368 E CB -1.573 28.160 29.700 0.055 0.000 0.986 368 E HN 0.591 nan 8.360 nan 0.000 0.262 369 N N 2.193 120.909 118.700 0.027 0.000 2.417 369 N HA 0.406 5.148 4.740 0.004 0.000 0.300 369 N C -0.533 174.982 175.510 0.009 0.000 1.102 369 N CA -0.217 52.844 53.050 0.018 0.000 0.886 369 N CB 1.437 39.932 38.487 0.015 0.000 1.203 369 N HN 0.650 nan 8.380 nan 0.000 0.496 370 Q N 0.499 120.300 119.800 0.002 0.000 2.544 370 Q HA 0.345 4.687 4.340 0.004 0.000 0.291 370 Q C -1.203 174.785 176.000 -0.020 0.000 1.068 370 Q CA -0.991 54.797 55.803 -0.024 0.000 0.785 370 Q CB 1.153 29.870 28.738 -0.035 0.000 1.481 370 Q HN 0.413 nan 8.270 nan 0.000 0.430 371 T N 1.941 116.466 114.554 -0.049 0.000 2.867 371 T HA 0.135 4.488 4.350 0.004 0.000 0.297 371 T C 0.776 175.472 174.700 -0.007 0.000 0.989 371 T CA 0.157 62.238 62.100 -0.031 0.000 1.159 371 T CB 0.094 68.917 68.868 -0.075 0.000 0.928 371 T HN 0.479 nan 8.240 nan 0.000 0.538 372 L N 1.672 122.924 121.223 0.049 0.000 2.515 372 L HA 0.507 4.850 4.340 0.004 0.000 0.223 372 L C 1.026 178.004 176.870 0.179 0.000 1.079 372 L CA -0.109 54.791 54.840 0.100 0.000 0.857 372 L CB 0.053 42.173 42.059 0.100 0.000 1.050 372 L HN 0.702 nan 8.230 nan 0.000 0.476 373 A N -0.900 122.023 122.820 0.172 0.000 2.583 373 A HA 0.653 4.975 4.320 0.004 0.000 0.298 373 A C -1.067 176.630 177.584 0.189 0.000 1.055 373 A CA -0.299 51.900 52.037 0.270 0.000 0.714 373 A CB 1.684 20.851 19.000 0.278 0.000 1.277 373 A HN -0.144 nan 8.150 nan 0.000 0.406 374 S N 0.444 116.261 115.700 0.196 0.000 2.537 374 S HA 0.863 5.335 4.470 0.004 0.000 0.270 374 S C -1.599 173.054 174.600 0.088 0.000 1.142 374 S CA -0.313 57.943 58.200 0.093 0.000 0.870 374 S CB 1.211 64.427 63.200 0.028 0.000 1.112 374 S HN 1.607 nan 8.310 nan 0.000 0.466 375 I N 2.592 123.161 120.570 -0.002 0.000 2.787 375 I HA 0.462 4.634 4.170 0.004 0.000 0.294 375 I C -0.252 175.780 176.117 -0.142 0.000 1.365 375 I CA -0.341 60.947 61.300 -0.019 0.000 1.029 375 I CB 2.349 40.380 38.000 0.051 0.000 1.313 375 I HN 0.809 nan 8.210 nan 0.000 0.431 376 T N 2.067 116.566 114.554 -0.091 0.000 2.899 376 T HA 0.342 4.695 4.350 0.004 0.000 0.284 376 T C 0.936 175.583 174.700 -0.088 0.000 1.004 376 T CA -0.198 61.828 62.100 -0.122 0.000 1.043 376 T CB 0.768 69.638 68.868 0.002 0.000 1.013 376 T HN 0.383 nan 8.240 nan 0.000 0.518 377 F N 0.382 120.407 119.950 0.126 0.000 2.126 377 F HA -0.066 4.463 4.527 0.003 0.000 0.299 377 F C 2.910 178.938 175.800 0.381 0.000 1.096 377 F CA 1.593 59.739 58.000 0.243 0.000 1.255 377 F CB -0.615 38.588 39.000 0.338 0.000 0.997 377 F HN 0.705 nan 8.300 nan 0.000 0.479 378 Q N 0.559 120.659 119.800 0.500 0.000 2.050 378 Q HA -0.216 4.127 4.340 0.004 0.000 0.202 378 Q C 1.844 178.027 176.000 0.305 0.000 0.980 378 Q CA 1.687 57.757 55.803 0.445 0.000 0.840 378 Q CB -0.244 28.597 28.738 0.171 0.000 0.898 378 Q HN 0.376 nan 8.270 nan 0.000 0.424 379 N N -0.189 118.610 118.700 0.164 0.000 2.270 379 N HA -0.141 4.601 4.740 0.004 0.000 0.181 379 N C 1.594 177.130 175.510 0.045 0.000 1.016 379 N CA 0.822 53.921 53.050 0.082 0.000 0.870 379 N CB -0.450 38.060 38.487 0.039 0.000 0.979 379 N HN 0.322 nan 8.380 nan 0.000 0.431 380 Y N 1.175 121.423 120.300 -0.087 0.000 2.097 380 Y HA -0.197 4.355 4.550 0.003 0.000 0.282 380 Y C 1.812 177.607 175.900 -0.174 0.000 1.152 380 Y CA 1.541 59.482 58.100 -0.265 0.000 1.136 380 Y CB -0.697 37.529 38.460 -0.389 0.000 0.975 380 Y HN -0.131 nan 8.280 nan 0.000 0.498 381 F N 0.263 120.263 119.950 0.083 0.000 2.333 381 F HA -0.082 4.447 4.527 0.004 0.000 0.300 381 F C 2.236 178.102 175.800 0.110 0.000 1.083 381 F CA 1.307 59.348 58.000 0.068 0.000 1.395 381 F CB -0.519 38.555 39.000 0.123 0.000 1.056 381 F HN -0.010 nan 8.300 nan 0.000 0.529 382 R N -0.173 120.456 120.500 0.215 0.000 2.323 382 R HA 0.046 4.389 4.340 0.004 0.000 0.198 382 R C 1.694 178.012 176.300 0.030 0.000 0.988 382 R CA 0.283 56.473 56.100 0.151 0.000 1.041 382 R CB -0.239 30.131 30.300 0.115 0.000 0.926 382 R HN 0.355 nan 8.270 nan 0.000 0.476 383 L N -0.608 120.554 121.223 -0.103 0.000 2.341 383 L HA 0.025 4.367 4.340 0.004 0.000 0.214 383 L C 0.324 177.066 176.870 -0.213 0.000 1.115 383 L CA 0.199 54.905 54.840 -0.224 0.000 0.820 383 L CB -0.063 41.702 42.059 -0.490 0.000 0.944 383 L HN 0.082 nan 8.230 nan 0.000 0.452 384 Y N 0.677 120.871 120.300 -0.178 0.000 2.497 384 Y HA -0.124 4.428 4.550 0.004 0.000 0.334 384 Y C 1.707 177.568 175.900 -0.064 0.000 1.199 384 Y CA 0.335 58.358 58.100 -0.129 0.000 1.425 384 Y CB 0.543 38.928 38.460 -0.125 0.000 1.291 384 Y HN 0.018 nan 8.280 nan 0.000 0.562 385 E N 2.291 122.540 120.200 0.082 0.000 2.077 385 E HA -0.153 4.200 4.350 0.004 0.000 0.193 385 E C -0.337 176.304 176.600 0.068 0.000 0.989 385 E CA 1.171 57.613 56.400 0.070 0.000 0.800 385 E CB 0.218 29.974 29.700 0.093 0.000 0.746 385 E HN 0.530 nan 8.360 nan 0.000 0.452 386 K N 0.350 120.793 120.400 0.072 0.000 2.324 386 K HA 0.431 4.753 4.320 0.004 0.000 0.253 386 K C -1.333 175.328 176.600 0.102 0.000 0.932 386 K CA -0.856 55.486 56.287 0.091 0.000 0.799 386 K CB 2.260 34.800 32.500 0.066 0.000 1.154 386 K HN -0.024 nan 8.250 nan 0.000 0.425 387 L N 1.630 122.872 121.223 0.031 0.000 2.431 387 L HA 0.764 5.106 4.340 0.004 0.000 0.266 387 L C -1.659 175.138 176.870 -0.122 0.000 0.978 387 L CA -0.188 54.571 54.840 -0.135 0.000 0.822 387 L CB 1.925 43.917 42.059 -0.111 0.000 1.310 387 L HN 0.862 nan 8.230 nan 0.000 0.409 388 A N 2.348 125.011 122.820 -0.260 0.000 2.583 388 A HA 1.033 5.355 4.320 0.004 0.000 0.289 388 A C -0.678 176.713 177.584 -0.321 0.000 1.151 388 A CA -0.051 51.865 52.037 -0.201 0.000 0.695 388 A CB 1.543 20.539 19.000 -0.007 0.000 1.290 388 A HN 1.310 nan 8.150 nan 0.000 0.419 389 G N -0.872 107.755 108.800 -0.288 0.000 2.550 389 G HA2 0.593 4.555 3.960 0.004 0.000 0.293 389 G HA3 0.593 4.555 3.960 0.004 0.000 0.293 389 G C -1.390 173.359 174.900 -0.251 0.000 1.402 389 G CA -0.658 44.257 45.100 -0.308 0.000 0.784 389 G HN 0.698 nan 8.290 nan 0.000 0.482 390 M N 0.244 119.715 119.600 -0.215 0.000 2.602 390 M HA 0.740 5.222 4.480 0.004 0.000 0.312 390 M C -0.412 175.799 176.300 -0.150 0.000 1.181 390 M CA -0.739 54.469 55.300 -0.154 0.000 0.910 390 M CB 2.698 35.244 32.600 -0.090 0.000 1.723 390 M HN 0.661 nan 8.290 nan 0.000 0.459 391 T N 0.155 114.641 114.554 -0.113 0.000 2.802 391 T HA 0.610 4.962 4.350 0.004 0.000 0.311 391 T C -0.687 173.993 174.700 -0.034 0.000 1.405 391 T CA -0.458 61.601 62.100 -0.068 0.000 1.016 391 T CB 1.652 70.486 68.868 -0.057 0.000 1.352 391 T HN 0.879 nan 8.240 nan 0.000 0.498 392 G N 0.749 109.544 108.800 -0.009 0.000 2.572 392 G HA2 0.410 4.372 3.960 0.004 0.000 0.261 392 G HA3 0.410 4.372 3.960 0.004 0.000 0.261 392 G C 1.124 176.033 174.900 0.016 0.000 1.197 392 G CA 0.097 45.201 45.100 0.006 0.000 0.870 392 G HN 0.858 nan 8.290 nan 0.000 0.548 393 T N 0.808 115.375 114.554 0.021 0.000 3.052 393 T HA -0.080 4.273 4.350 0.004 0.000 0.270 393 T C 2.568 177.289 174.700 0.035 0.000 1.147 393 T CA 1.207 63.323 62.100 0.027 0.000 1.089 393 T CB -0.373 68.511 68.868 0.027 0.000 0.875 393 T HN 0.970 nan 8.240 nan 0.000 0.541 394 A N 2.526 125.367 122.820 0.036 0.000 2.117 394 A HA -0.416 3.906 4.320 0.004 0.000 0.230 394 A C 1.613 179.228 177.584 0.052 0.000 1.512 394 A CA 2.377 54.438 52.037 0.040 0.000 0.722 394 A CB -1.477 17.547 19.000 0.040 0.000 0.832 394 A HN 0.824 nan 8.150 nan 0.000 0.546 395 D N -1.243 119.195 120.400 0.062 0.000 1.676 395 D HA -0.304 4.338 4.640 0.004 0.000 0.600 395 D C 1.376 177.737 176.300 0.101 0.000 1.154 395 D CA 3.977 58.034 54.000 0.096 0.000 1.563 395 D CB -1.293 39.560 40.800 0.087 0.000 1.727 395 D HN 1.545 nan 8.370 nan 0.000 0.525 396 T N -5.218 109.396 114.554 0.099 0.000 10.012 396 T HA -0.387 3.966 4.350 0.004 0.000 0.364 396 T C 0.773 175.590 174.700 0.196 0.000 1.801 396 T CA 1.841 64.006 62.100 0.108 0.000 2.812 396 T CB -2.365 66.541 68.868 0.063 0.000 2.543 396 T HN 0.648 nan 8.240 nan 0.000 1.030 397 E N 0.717 121.000 120.200 0.137 0.000 2.548 397 E HA 0.684 5.036 4.350 0.004 0.000 0.206 397 E C 2.172 178.742 176.600 -0.050 0.000 1.005 397 E CA 0.295 56.657 56.400 -0.063 0.000 0.951 397 E CB 0.245 29.766 29.700 -0.297 0.000 1.035 397 E HN 0.728 nan 8.360 nan 0.000 0.470 398 A N 1.231 124.182 122.820 0.218 0.000 1.908 398 A HA -0.215 4.107 4.320 0.004 0.000 0.218 398 A C 1.952 179.627 177.584 0.152 0.000 1.181 398 A CA 1.409 53.603 52.037 0.262 0.000 0.627 398 A CB -0.800 18.319 19.000 0.199 0.000 0.818 398 A HN 0.491 nan 8.150 nan 0.000 0.445 399 F N 0.780 120.702 119.950 -0.047 0.000 2.202 399 F HA -0.085 4.444 4.527 0.004 0.000 0.301 399 F C 1.687 177.354 175.800 -0.221 0.000 1.082 399 F CA 1.531 59.475 58.000 -0.094 0.000 1.313 399 F CB -0.817 38.123 39.000 -0.099 0.000 1.024 399 F HN 0.338 nan 8.300 nan 0.000 0.495 400 E N -0.065 119.337 120.200 -1.330 0.000 2.112 400 E HA -0.074 4.279 4.350 0.004 0.000 0.190 400 E C 1.997 178.254 176.600 -0.572 0.000 0.979 400 E CA 1.023 56.563 56.400 -1.432 0.000 0.814 400 E CB -0.444 28.239 29.700 -1.695 0.000 0.762 400 E HN 0.427 nan 8.360 nan 0.000 0.460 401 F N 1.186 120.984 119.950 -0.253 0.000 2.126 401 F HA -0.214 4.315 4.527 0.004 0.000 0.299 401 F C 2.797 178.623 175.800 0.044 0.000 1.096 401 F CA 1.248 59.246 58.000 -0.003 0.000 1.255 401 F CB -0.654 38.323 39.000 -0.038 0.000 0.997 401 F HN -0.031 nan 8.300 nan 0.000 0.479 402 S N -0.947 114.855 115.700 0.170 0.000 2.368 402 S HA -0.191 4.281 4.470 0.004 0.000 0.224 402 S C 2.424 177.083 174.600 0.100 0.000 1.029 402 S CA 1.451 59.731 58.200 0.133 0.000 0.988 402 S CB -0.664 62.602 63.200 0.110 0.000 0.838 402 S HN 0.374 nan 8.310 nan 0.000 0.462 403 S N 0.484 116.214 115.700 0.049 0.000 2.368 403 S HA 0.041 4.513 4.470 0.004 0.000 0.224 403 S C 1.791 176.430 174.600 0.065 0.000 1.029 403 S CA 1.266 59.517 58.200 0.086 0.000 0.988 403 S CB -0.472 62.830 63.200 0.170 0.000 0.838 403 S HN 0.612 nan 8.310 nan 0.000 0.462 404 I N -1.105 119.468 120.570 0.004 0.000 2.480 404 I HA 0.053 4.226 4.170 0.004 0.000 0.251 404 I C 1.276 177.217 176.117 -0.294 0.000 1.124 404 I CA 0.892 62.086 61.300 -0.178 0.000 1.444 404 I CB -0.036 37.748 38.000 -0.361 0.000 1.098 404 I HN 0.307 nan 8.210 nan 0.000 0.428 405 Y N -0.098 120.258 120.300 0.093 0.000 2.471 405 Y HA 0.243 4.796 4.550 0.004 0.000 0.249 405 Y C 0.435 176.377 175.900 0.071 0.000 1.116 405 Y CA -0.824 57.331 58.100 0.092 0.000 1.240 405 Y CB 0.508 39.035 38.460 0.113 0.000 1.251 405 Y HN -0.139 nan 8.280 nan 0.000 0.527 406 K N 0.626 121.144 120.400 0.198 0.000 3.077 406 K HA -0.197 4.125 4.320 0.004 0.000 0.264 406 K C -0.861 175.812 176.600 0.122 0.000 1.008 406 K CA 0.515 56.883 56.287 0.134 0.000 0.740 406 K CB -2.103 30.453 32.500 0.093 0.000 1.273 406 K HN 0.383 nan 8.250 nan 0.000 0.477 407 L N 1.500 122.814 121.223 0.150 0.000 2.265 407 L HA 0.189 4.531 4.340 0.004 0.000 0.288 407 L C 0.699 177.600 176.870 0.051 0.000 1.058 407 L CA -0.604 54.271 54.840 0.058 0.000 0.809 407 L CB 0.755 42.804 42.059 -0.016 0.000 1.179 407 L HN -0.030 nan 8.230 nan 0.000 0.429 408 D N 1.237 121.647 120.400 0.017 0.000 2.339 408 D HA 0.307 4.950 4.640 0.004 0.000 0.245 408 D C 0.046 176.327 176.300 -0.031 0.000 1.115 408 D CA 0.078 54.086 54.000 0.014 0.000 0.917 408 D CB 1.230 42.038 40.800 0.014 0.000 1.192 408 D HN 0.476 nan 8.370 nan 0.000 0.428 409 T N -1.762 112.784 114.554 -0.014 0.000 2.809 409 T HA 0.560 4.912 4.350 0.004 0.000 0.284 409 T C -0.376 174.314 174.700 -0.018 0.000 0.992 409 T CA -0.897 61.175 62.100 -0.046 0.000 0.957 409 T CB 0.865 69.728 68.868 -0.008 0.000 0.942 409 T HN 0.014 nan 8.240 nan 0.000 0.439 410 V N 3.553 123.449 119.914 -0.030 0.000 2.417 410 V HA 0.391 4.514 4.120 0.004 0.000 0.291 410 V C 0.105 176.195 176.094 -0.007 0.000 1.024 410 V CA -0.933 61.362 62.300 -0.008 0.000 0.861 410 V CB 1.828 33.648 31.823 -0.004 0.000 0.985 410 V HN 0.867 nan 8.190 nan 0.000 0.436 411 V N 5.995 125.912 119.914 0.006 0.000 2.389 411 V HA 0.216 4.338 4.120 0.004 0.000 0.264 411 V C 0.238 176.341 176.094 0.014 0.000 1.049 411 V CA -0.354 61.952 62.300 0.010 0.000 0.932 411 V CB 1.186 33.019 31.823 0.017 0.000 1.011 411 V HN 0.609 nan 8.190 nan 0.000 0.475 412 V N 8.431 128.354 119.914 0.016 0.000 2.498 412 V HA 0.260 4.382 4.120 0.004 0.000 0.279 412 V C -1.776 174.335 176.094 0.027 0.000 1.048 412 V CA -1.505 60.810 62.300 0.026 0.000 0.967 412 V CB 1.213 33.055 31.823 0.032 0.000 0.988 412 V HN 0.761 nan 8.190 nan 0.000 0.473 413 P HA 0.162 nan 4.420 nan 0.000 0.269 413 P C 0.043 177.358 177.300 0.024 0.000 1.215 413 P CA -0.138 62.976 63.100 0.023 0.000 0.780 413 P CB 0.154 31.867 31.700 0.022 0.000 0.898 414 T N -1.674 112.888 114.554 0.013 0.000 2.899 414 T HA 0.094 4.447 4.350 0.004 0.000 0.295 414 T C 1.169 175.857 174.700 -0.020 0.000 1.033 414 T CA -0.374 61.729 62.100 0.004 0.000 1.084 414 T CB 0.431 69.300 68.868 0.001 0.000 0.979 414 T HN 0.324 nan 8.240 nan 0.000 0.532 415 N N 1.194 119.861 118.700 -0.055 0.000 2.084 415 N HA -0.115 4.627 4.740 0.004 0.000 0.190 415 N C 0.402 175.829 175.510 -0.139 0.000 1.030 415 N CA 1.161 54.124 53.050 -0.145 0.000 0.849 415 N CB 0.030 38.305 38.487 -0.353 0.000 1.012 415 N HN 0.461 nan 8.380 nan 0.000 0.423 416 R N 0.075 120.509 120.500 -0.110 0.000 2.668 416 R HA 0.412 4.754 4.340 0.004 0.000 0.279 416 R C -2.481 173.797 176.300 -0.037 0.000 0.976 416 R CA -2.096 53.959 56.100 -0.075 0.000 0.978 416 R CB 0.668 30.927 30.300 -0.068 0.000 1.133 416 R HN 0.113 nan 8.270 nan 0.000 0.484 417 P HA 0.013 nan 4.420 nan 0.000 0.265 417 P C -0.217 177.081 177.300 -0.003 0.000 1.193 417 P CA 0.153 63.247 63.100 -0.010 0.000 0.765 417 P CB 0.464 32.160 31.700 -0.007 0.000 0.823 418 M N 5.613 125.215 119.600 0.003 0.000 2.077 418 M HA 0.199 4.681 4.480 0.004 0.000 0.348 418 M C 0.304 176.612 176.300 0.012 0.000 1.252 418 M CA -0.435 54.871 55.300 0.010 0.000 1.096 418 M CB -0.379 32.229 32.600 0.015 0.000 1.568 418 M HN 0.338 nan 8.290 nan 0.000 0.456 419 I N 1.406 121.984 120.570 0.013 0.000 4.081 419 I HA 0.352 4.524 4.170 0.004 0.000 0.333 419 I C 0.671 176.799 176.117 0.018 0.000 1.413 419 I CA -0.571 60.737 61.300 0.013 0.000 1.110 419 I CB -0.069 37.935 38.000 0.006 0.000 1.082 419 I HN 0.566 nan 8.210 nan 0.000 0.402 420 R N 3.357 123.871 120.500 0.024 0.000 2.537 420 R HA 0.068 4.411 4.340 0.004 0.000 0.281 420 R C -0.541 175.782 176.300 0.038 0.000 0.988 420 R CA 0.388 56.507 56.100 0.033 0.000 1.077 420 R CB 0.526 30.848 30.300 0.037 0.000 0.932 420 R HN 0.310 nan 8.270 nan 0.000 0.409 421 K N 3.789 124.216 120.400 0.046 0.000 2.268 421 K HA 0.126 4.448 4.320 0.004 0.000 0.276 421 K C -1.169 175.470 176.600 0.065 0.000 1.080 421 K CA -0.489 55.827 56.287 0.048 0.000 0.910 421 K CB 1.097 33.623 32.500 0.043 0.000 1.163 421 K HN 0.458 nan 8.250 nan 0.000 0.465 422 D N 4.317 124.754 120.400 0.061 0.000 2.428 422 D HA 0.159 4.802 4.640 0.004 0.000 0.221 422 D C 0.152 176.493 176.300 0.069 0.000 1.123 422 D CA -0.209 53.837 54.000 0.078 0.000 0.869 422 D CB 0.716 41.564 40.800 0.080 0.000 1.032 422 D HN 0.244 nan 8.370 nan 0.000 0.506 423 L N 2.642 123.910 121.223 0.076 0.000 2.466 423 L HA 0.303 4.645 4.340 0.004 0.000 0.257 423 L C -1.829 175.059 176.870 0.029 0.000 1.189 423 L CA -1.746 53.122 54.840 0.048 0.000 0.813 423 L CB -0.070 42.023 42.059 0.057 0.000 1.118 423 L HN 0.042 nan 8.230 nan 0.000 0.471 424 P HA -0.004 nan 4.420 nan 0.000 0.265 424 P C -1.146 176.116 177.300 -0.063 0.000 1.193 424 P CA -0.122 62.955 63.100 -0.040 0.000 0.765 424 P CB 0.240 31.901 31.700 -0.065 0.000 0.823 425 D N 2.125 122.490 120.400 -0.059 0.000 2.472 425 D HA 0.054 4.696 4.640 0.004 0.000 0.237 425 D C 0.089 176.302 176.300 -0.144 0.000 1.141 425 D CA 0.705 54.659 54.000 -0.076 0.000 0.875 425 D CB 0.140 40.906 40.800 -0.057 0.000 1.192 425 D HN 0.192 nan 8.370 nan 0.000 0.450 426 L N 1.488 122.595 121.223 -0.193 0.000 2.329 426 L HA 0.546 4.889 4.340 0.004 0.000 0.279 426 L C -0.426 176.352 176.870 -0.153 0.000 1.014 426 L CA -1.010 53.702 54.840 -0.214 0.000 0.814 426 L CB 1.779 43.715 42.059 -0.205 0.000 1.257 426 L HN -0.006 nan 8.230 nan 0.000 0.424 427 V N 2.437 122.165 119.914 -0.309 0.000 2.604 427 V HA 0.508 4.630 4.120 0.004 0.000 0.305 427 V C -1.001 174.826 176.094 -0.446 0.000 1.043 427 V CA -0.675 61.505 62.300 -0.200 0.000 0.888 427 V CB 1.789 33.528 31.823 -0.140 0.000 0.995 427 V HN 0.450 nan 8.190 nan 0.000 0.429 428 Y N 2.040 122.372 120.300 0.052 0.000 2.570 428 Y HA 0.472 5.024 4.550 0.004 0.000 0.345 428 Y C 1.138 177.062 175.900 0.040 0.000 1.014 428 Y CA -0.927 57.205 58.100 0.054 0.000 1.063 428 Y CB 2.100 40.605 38.460 0.075 0.000 1.272 428 Y HN 0.464 nan 8.280 nan 0.000 0.477 429 M N 0.193 119.894 119.600 0.170 0.000 2.064 429 M HA -0.046 4.436 4.480 0.004 0.000 0.260 429 M C 0.579 176.942 176.300 0.104 0.000 1.073 429 M CA 1.561 56.922 55.300 0.102 0.000 1.124 429 M CB -0.254 32.392 32.600 0.076 0.000 1.326 429 M HN 0.814 nan 8.290 nan 0.000 0.410 430 T N -2.532 112.090 114.554 0.113 0.000 2.925 430 T HA 0.227 4.579 4.350 0.004 0.000 0.285 430 T C 0.813 175.557 174.700 0.074 0.000 1.021 430 T CA -0.859 61.287 62.100 0.077 0.000 1.042 430 T CB 2.263 71.162 68.868 0.052 0.000 1.037 430 T HN 0.107 nan 8.240 nan 0.000 0.481 431 E N 1.207 121.435 120.200 0.047 0.000 2.086 431 E HA -0.231 4.121 4.350 0.004 0.000 0.200 431 E C 2.381 178.969 176.600 -0.021 0.000 1.012 431 E CA 1.757 58.168 56.400 0.019 0.000 0.812 431 E CB -0.623 29.083 29.700 0.010 0.000 0.743 431 E HN 0.879 nan 8.360 nan 0.000 0.453 432 A N 0.939 123.749 122.820 -0.017 0.000 1.978 432 A HA -0.235 4.087 4.320 0.004 0.000 0.220 432 A C 1.967 179.513 177.584 -0.064 0.000 1.170 432 A CA 1.762 53.776 52.037 -0.037 0.000 0.636 432 A CB -0.393 18.596 19.000 -0.018 0.000 0.810 432 A HN 0.249 nan 8.150 nan 0.000 0.448 433 E N -0.665 119.510 120.200 -0.042 0.000 2.076 433 E HA -0.132 4.220 4.350 0.004 0.000 0.190 433 E C 2.068 178.475 176.600 -0.322 0.000 0.979 433 E CA 1.097 57.453 56.400 -0.074 0.000 0.807 433 E CB -0.105 29.644 29.700 0.081 0.000 0.761 433 E HN 0.669 nan 8.360 nan 0.000 0.454 434 K N 0.930 121.140 120.400 -0.316 0.000 2.020 434 K HA -0.211 4.112 4.320 0.004 0.000 0.212 434 K C 2.021 178.374 176.600 -0.412 0.000 1.050 434 K CA 1.493 57.489 56.287 -0.484 0.000 0.929 434 K CB -0.067 32.385 32.500 -0.081 0.000 0.714 434 K HN 0.004 nan 8.250 nan 0.000 0.443 435 I N 1.477 121.896 120.570 -0.250 0.000 2.163 435 I HA -0.258 3.914 4.170 0.004 0.000 0.243 435 I C 2.522 178.497 176.117 -0.238 0.000 1.085 435 I CA 1.492 62.656 61.300 -0.227 0.000 1.347 435 I CB -1.433 36.481 38.000 -0.143 0.000 1.044 435 I HN 0.373 nan 8.210 nan 0.000 0.408 436 Q N 0.761 120.440 119.800 -0.202 0.000 2.234 436 Q HA -0.113 4.230 4.340 0.004 0.000 0.206 436 Q C 2.181 178.070 176.000 -0.186 0.000 0.980 436 Q CA 2.023 57.728 55.803 -0.163 0.000 0.869 436 Q CB -0.286 28.385 28.738 -0.113 0.000 0.912 436 Q HN 0.522 nan 8.270 nan 0.000 0.436 437 A N -0.491 122.154 122.820 -0.291 0.000 1.930 437 A HA -0.040 4.282 4.320 0.004 0.000 0.215 437 A C 2.022 179.482 177.584 -0.207 0.000 1.176 437 A CA 0.924 52.837 52.037 -0.207 0.000 0.632 437 A CB -0.477 18.322 19.000 -0.335 0.000 0.819 437 A HN 0.416 nan 8.150 nan 0.000 0.445 438 I N 0.204 120.500 120.570 -0.456 0.000 2.264 438 I HA -0.244 3.929 4.170 0.004 0.000 0.248 438 I C 2.020 177.979 176.117 -0.263 0.000 1.111 438 I CA 0.876 61.843 61.300 -0.555 0.000 1.382 438 I CB -0.200 37.405 38.000 -0.659 0.000 1.060 438 I HN 0.253 nan 8.210 nan 0.000 0.418 439 I N 0.336 120.785 120.570 -0.201 0.000 2.286 439 I HA -0.210 3.962 4.170 0.004 0.000 0.245 439 I C 2.559 178.625 176.117 -0.086 0.000 1.104 439 I CA 1.329 62.548 61.300 -0.134 0.000 1.397 439 I CB -1.312 36.617 38.000 -0.119 0.000 1.072 439 I HN 0.232 nan 8.210 nan 0.000 0.417 440 E N 1.424 121.580 120.200 -0.073 0.000 2.118 440 E HA -0.269 4.083 4.350 0.004 0.000 0.195 440 E C 1.780 178.367 176.600 -0.021 0.000 0.992 440 E CA 1.771 58.150 56.400 -0.036 0.000 0.804 440 E CB -0.193 29.497 29.700 -0.017 0.000 0.741 440 E HN 0.406 nan 8.360 nan 0.000 0.458 441 D N -0.674 119.719 120.400 -0.012 0.000 2.103 441 D HA -0.059 4.583 4.640 0.004 0.000 0.199 441 D C 1.951 178.243 176.300 -0.014 0.000 0.978 441 D CA 1.269 55.273 54.000 0.007 0.000 0.829 441 D CB -0.140 40.709 40.800 0.082 0.000 0.981 441 D HN 0.280 nan 8.370 nan 0.000 0.464 442 I N 0.431 120.991 120.570 -0.017 0.000 2.194 442 I HA -0.296 3.876 4.170 0.004 0.000 0.246 442 I C 2.497 178.603 176.117 -0.017 0.000 1.093 442 I CA 1.193 62.486 61.300 -0.013 0.000 1.355 442 I CB -0.308 37.669 38.000 -0.040 0.000 1.046 442 I HN 0.067 nan 8.210 nan 0.000 0.413 443 K N 1.006 121.391 120.400 -0.025 0.000 2.057 443 K HA -0.224 4.098 4.320 0.004 0.000 0.207 443 K C 1.961 178.551 176.600 -0.017 0.000 1.049 443 K CA 1.760 58.036 56.287 -0.018 0.000 0.931 443 K CB 0.009 32.497 32.500 -0.021 0.000 0.714 443 K HN 0.378 nan 8.250 nan 0.000 0.440 444 E N -0.167 120.020 120.200 -0.022 0.000 2.046 444 E HA -0.130 4.222 4.350 0.004 0.000 0.190 444 E C 2.226 178.805 176.600 -0.035 0.000 0.982 444 E CA 0.920 57.304 56.400 -0.027 0.000 0.800 444 E CB 0.048 29.731 29.700 -0.029 0.000 0.756 444 E HN 0.237 nan 8.360 nan 0.000 0.449 445 R N 0.364 120.835 120.500 -0.047 0.000 2.075 445 R HA -0.099 4.243 4.340 0.004 0.000 0.232 445 R C 2.704 178.989 176.300 -0.024 0.000 1.126 445 R CA 1.845 57.912 56.100 -0.054 0.000 0.963 445 R CB -0.576 29.676 30.300 -0.080 0.000 0.858 445 R HN 0.308 nan 8.270 nan 0.000 0.435 446 T N -1.121 113.429 114.554 -0.007 0.000 2.867 446 T HA -0.034 4.318 4.350 0.004 0.000 0.268 446 T C 2.067 176.770 174.700 0.005 0.000 1.057 446 T CA 1.049 63.155 62.100 0.010 0.000 1.136 446 T CB -0.176 68.705 68.868 0.022 0.000 0.874 446 T HN 0.233 nan 8.240 nan 0.000 0.466 447 A N 1.938 124.756 122.820 -0.004 0.000 2.067 447 A HA 0.034 4.356 4.320 0.004 0.000 0.219 447 A C 2.191 179.767 177.584 -0.013 0.000 1.158 447 A CA 1.017 53.051 52.037 -0.006 0.000 0.661 447 A CB -0.450 18.545 19.000 -0.008 0.000 0.801 447 A HN 0.605 nan 8.150 nan 0.000 0.452 448 K N -1.469 118.918 120.400 -0.020 0.000 2.374 448 K HA 0.283 4.605 4.320 0.004 0.000 0.196 448 K C 0.913 177.495 176.600 -0.030 0.000 1.023 448 K CA 0.427 56.697 56.287 -0.028 0.000 1.103 448 K CB 0.180 32.658 32.500 -0.037 0.000 0.848 448 K HN 0.578 nan 8.250 nan 0.000 0.528 449 G N 2.162 110.950 108.800 -0.019 0.000 2.141 449 G HA2 -0.311 3.651 3.960 0.004 0.000 0.231 449 G HA3 -0.311 3.651 3.960 0.004 0.000 0.231 449 G C -0.153 174.734 174.900 -0.022 0.000 0.984 449 G CA 0.030 45.118 45.100 -0.020 0.000 0.660 449 G HN 0.415 nan 8.290 nan 0.000 0.525 450 Q N 1.206 120.997 119.800 -0.015 0.000 2.243 450 Q HA 0.593 4.935 4.340 0.004 0.000 0.252 450 Q C -2.319 173.694 176.000 0.023 0.000 0.909 450 Q CA -2.168 53.628 55.803 -0.010 0.000 0.922 450 Q CB 2.117 30.843 28.738 -0.019 0.000 1.215 450 Q HN 0.277 nan 8.270 nan 0.000 0.427 451 P HA 0.177 nan 4.420 nan 0.000 0.281 451 P C -1.160 176.188 177.300 0.079 0.000 1.249 451 P CA -0.378 62.761 63.100 0.066 0.000 0.810 451 P CB 1.394 33.138 31.700 0.074 0.000 1.008 452 V N 2.742 122.704 119.914 0.078 0.000 2.709 452 V HA 0.315 4.437 4.120 0.004 0.000 0.308 452 V C -0.260 175.860 176.094 0.044 0.000 1.062 452 V CA -0.748 61.600 62.300 0.080 0.000 0.901 452 V CB 1.951 33.827 31.823 0.089 0.000 1.003 452 V HN 0.397 nan 8.190 nan 0.000 0.425 453 L N 6.005 127.234 121.223 0.010 0.000 2.305 453 L HA 0.692 5.034 4.340 0.004 0.000 0.284 453 L C -0.560 176.279 176.870 -0.051 0.000 1.013 453 L CA -0.038 54.797 54.840 -0.008 0.000 0.819 453 L CB 1.701 43.755 42.059 -0.008 0.000 1.227 453 L HN 0.458 nan 8.230 nan 0.000 0.417 454 V N 4.982 124.873 119.914 -0.038 0.000 2.350 454 V HA 0.665 4.787 4.120 0.004 0.000 0.276 454 V C 0.762 176.834 176.094 -0.038 0.000 1.028 454 V CA -0.375 61.887 62.300 -0.062 0.000 0.860 454 V CB 0.955 32.736 31.823 -0.070 0.000 0.990 454 V HN 0.899 nan 8.190 nan 0.000 0.453 455 G N 3.121 111.895 108.800 -0.043 0.000 2.332 455 G HA2 0.631 4.593 3.960 0.004 0.000 0.310 455 G HA3 0.631 4.593 3.960 0.004 0.000 0.310 455 G C -0.017 174.899 174.900 0.027 0.000 1.123 455 G CA -0.101 45.007 45.100 0.012 0.000 0.873 455 G HN 0.775 nan 8.290 nan 0.000 0.460 456 T N -0.518 114.062 114.554 0.043 0.000 2.910 456 T HA 0.495 4.848 4.350 0.004 0.000 0.287 456 T C 0.997 175.724 174.700 0.045 0.000 1.050 456 T CA -0.498 61.619 62.100 0.027 0.000 1.011 456 T CB 1.573 70.445 68.868 0.007 0.000 1.195 456 T HN 0.628 nan 8.240 nan 0.000 0.540 457 I N -1.119 119.445 120.570 -0.010 0.000 3.968 457 I HA 0.395 4.567 4.170 0.004 0.000 0.328 457 I C 0.527 176.658 176.117 0.022 0.000 1.290 457 I CA -0.392 60.890 61.300 -0.030 0.000 1.163 457 I CB -0.258 37.623 38.000 -0.197 0.000 1.024 457 I HN 0.771 nan 8.210 nan 0.000 0.413 458 S N -0.834 114.877 115.700 0.020 0.000 2.550 458 S HA 0.559 5.031 4.470 0.004 0.000 0.270 458 S C 0.407 175.022 174.600 0.025 0.000 1.145 458 S CA -0.741 57.474 58.200 0.025 0.000 0.852 458 S CB 0.891 64.100 63.200 0.014 0.000 1.119 458 S HN 0.054 nan 8.310 nan 0.000 0.465 459 I N 1.541 122.128 120.570 0.029 0.000 2.208 459 I HA -0.187 3.985 4.170 0.004 0.000 0.245 459 I C 2.337 178.468 176.117 0.022 0.000 1.097 459 I CA 1.736 63.054 61.300 0.030 0.000 1.363 459 I CB -0.292 37.726 38.000 0.030 0.000 1.051 459 I HN 0.763 nan 8.210 nan 0.000 0.413 460 E N 0.364 120.574 120.200 0.017 0.000 2.077 460 E HA -0.222 4.130 4.350 0.004 0.000 0.193 460 E C 2.086 178.689 176.600 0.004 0.000 0.989 460 E CA 0.960 57.366 56.400 0.011 0.000 0.800 460 E CB -0.162 29.544 29.700 0.009 0.000 0.746 460 E HN 0.141 nan 8.360 nan 0.000 0.452 461 K N 0.448 120.848 120.400 0.001 0.000 2.074 461 K HA -0.052 4.270 4.320 0.004 0.000 0.209 461 K C 2.216 178.807 176.600 -0.015 0.000 1.048 461 K CA 1.358 57.639 56.287 -0.010 0.000 0.926 461 K CB -0.663 31.830 32.500 -0.011 0.000 0.713 461 K HN 0.006 nan 8.250 nan 0.000 0.444 462 S N 0.993 116.692 115.700 -0.001 0.000 2.359 462 S HA -0.158 4.314 4.470 0.004 0.000 0.224 462 S C 1.675 176.278 174.600 0.004 0.000 1.035 462 S CA 1.466 59.668 58.200 0.003 0.000 1.018 462 S CB -0.286 62.930 63.200 0.027 0.000 0.876 462 S HN 0.403 nan 8.310 nan 0.000 0.448 463 E N 0.653 120.862 120.200 0.015 0.000 2.153 463 E HA -0.145 4.207 4.350 0.004 0.000 0.194 463 E C 2.074 178.674 176.600 0.000 0.000 0.988 463 E CA 0.798 57.210 56.400 0.019 0.000 0.811 463 E CB -0.282 29.431 29.700 0.022 0.000 0.746 463 E HN 0.292 nan 8.360 nan 0.000 0.466 464 L N 0.827 122.041 121.223 -0.014 0.000 2.023 464 L HA -0.099 4.244 4.340 0.004 0.000 0.205 464 L C 2.350 179.187 176.870 -0.055 0.000 1.073 464 L CA 1.278 56.101 54.840 -0.029 0.000 0.745 464 L CB -0.610 41.431 42.059 -0.031 0.000 0.900 464 L HN -0.024 nan 8.230 nan 0.000 0.435 465 V N -1.221 118.648 119.914 -0.075 0.000 2.343 465 V HA -0.285 3.837 4.120 0.004 0.000 0.247 465 V C 2.736 178.725 176.094 -0.174 0.000 1.051 465 V CA 2.181 64.406 62.300 -0.125 0.000 1.036 465 V CB -0.246 31.497 31.823 -0.132 0.000 0.654 465 V HN 0.762 nan 8.190 nan 0.000 0.451 466 S N 0.437 116.049 115.700 -0.145 0.000 2.353 466 S HA -0.245 4.227 4.470 0.004 0.000 0.222 466 S C 1.824 176.403 174.600 -0.034 0.000 1.035 466 S CA 2.292 60.402 58.200 -0.151 0.000 1.025 466 S CB -0.651 62.609 63.200 0.100 0.000 0.902 466 S HN 0.763 nan 8.310 nan 0.000 0.440 467 N N 1.486 120.188 118.700 0.003 0.000 2.120 467 N HA -0.036 4.706 4.740 0.004 0.000 0.188 467 N C 1.737 177.240 175.510 -0.012 0.000 1.024 467 N CA 1.260 54.321 53.050 0.018 0.000 0.852 467 N CB -0.525 37.967 38.487 0.009 0.000 1.003 467 N HN 0.443 nan 8.380 nan 0.000 0.424 468 E N 0.554 120.722 120.200 -0.053 0.000 2.118 468 E HA -0.086 4.266 4.350 0.004 0.000 0.195 468 E C 2.074 178.628 176.600 -0.076 0.000 0.992 468 E CA 0.496 56.857 56.400 -0.066 0.000 0.804 468 E CB -0.239 29.408 29.700 -0.088 0.000 0.741 468 E HN 0.412 nan 8.360 nan 0.000 0.458 469 L N 0.403 121.547 121.223 -0.131 0.000 2.109 469 L HA -0.120 4.222 4.340 0.004 0.000 0.207 469 L C 2.417 179.289 176.870 0.004 0.000 1.086 469 L CA 1.226 55.982 54.840 -0.139 0.000 0.760 469 L CB -0.417 41.389 42.059 -0.423 0.000 0.910 469 L HN 0.082 nan 8.230 nan 0.000 0.437 470 T N -0.764 113.843 114.554 0.088 0.000 2.821 470 T HA -0.219 4.133 4.350 0.004 0.000 0.267 470 T C 1.867 176.593 174.700 0.043 0.000 1.046 470 T CA 1.305 63.477 62.100 0.119 0.000 1.139 470 T CB -0.090 68.857 68.868 0.133 0.000 0.871 470 T HN 0.232 nan 8.240 nan 0.000 0.454 471 K N 1.459 121.868 120.400 0.015 0.000 2.147 471 K HA 0.031 4.353 4.320 0.004 0.000 0.205 471 K C 2.023 178.621 176.600 -0.002 0.000 1.049 471 K CA 1.169 57.457 56.287 0.001 0.000 0.936 471 K CB -0.226 32.269 32.500 -0.010 0.000 0.722 471 K HN 0.288 nan 8.250 nan 0.000 0.446 472 A N 0.135 122.950 122.820 -0.007 0.000 2.259 472 A HA 0.234 4.556 4.320 0.004 0.000 0.208 472 A C 1.187 178.773 177.584 0.005 0.000 1.201 472 A CA 0.578 52.609 52.037 -0.009 0.000 0.824 472 A CB -0.478 18.507 19.000 -0.024 0.000 0.838 472 A HN 0.547 nan 8.150 nan 0.000 0.485 473 G N -0.527 108.284 108.800 0.019 0.000 2.160 473 G HA2 -0.238 3.725 3.960 0.004 0.000 0.251 473 G HA3 -0.238 3.725 3.960 0.004 0.000 0.251 473 G C -0.003 174.920 174.900 0.038 0.000 1.008 473 G CA 0.445 45.560 45.100 0.024 0.000 0.724 473 G HN 0.541 nan 8.290 nan 0.000 0.514 474 I N 1.158 121.765 120.570 0.062 0.000 2.312 474 I HA 0.258 4.431 4.170 0.004 0.000 0.290 474 I C 0.547 176.789 176.117 0.208 0.000 1.008 474 I CA -0.924 60.428 61.300 0.087 0.000 1.226 474 I CB 1.047 39.071 38.000 0.041 0.000 1.371 474 I HN -0.117 nan 8.210 nan 0.000 0.468 475 K N 7.024 127.497 120.400 0.123 0.000 2.401 475 K HA 0.250 4.572 4.320 0.004 0.000 0.278 475 K C -0.198 176.482 176.600 0.134 0.000 1.018 475 K CA 0.050 56.379 56.287 0.070 0.000 0.981 475 K CB 0.512 33.013 32.500 0.002 0.000 0.933 475 K HN 0.722 nan 8.250 nan 0.000 0.477 476 H N -0.266 118.795 119.070 -0.014 0.000 2.902 476 H HA 0.389 4.948 4.556 0.004 0.000 0.297 476 H C -1.321 173.999 175.328 -0.014 0.000 1.406 476 H CA -1.026 55.016 56.048 -0.010 0.000 1.134 476 H CB 0.961 30.717 29.762 -0.009 0.000 1.833 476 H HN 0.539 nan 8.280 nan 0.000 0.527 477 N N -0.309 118.420 118.700 0.048 0.000 2.235 477 N HA 0.436 5.179 4.740 0.004 0.000 0.293 477 N C -1.245 174.335 175.510 0.116 0.000 1.083 477 N CA -0.719 52.327 53.050 -0.006 0.000 0.801 477 N CB 3.355 41.838 38.487 -0.006 0.000 1.559 477 N HN 0.308 nan 8.380 nan 0.000 0.472 478 V N 2.209 122.184 119.914 0.101 0.000 2.567 478 V HA 0.274 4.396 4.120 0.004 0.000 0.289 478 V C 0.116 176.258 176.094 0.081 0.000 1.049 478 V CA -0.676 61.688 62.300 0.107 0.000 0.969 478 V CB 1.108 32.993 31.823 0.104 0.000 0.995 478 V HN 0.507 nan 8.190 nan 0.000 0.471 479 L N 4.907 126.179 121.223 0.082 0.000 2.407 479 L HA 0.257 4.599 4.340 0.004 0.000 0.282 479 L C 0.555 177.488 176.870 0.105 0.000 1.110 479 L CA 0.069 54.964 54.840 0.090 0.000 0.863 479 L CB 0.019 42.127 42.059 0.083 0.000 1.207 479 L HN 0.613 nan 8.230 nan 0.000 0.454 480 N N 2.788 121.569 118.700 0.134 0.000 2.462 480 N HA 0.187 4.930 4.740 0.004 0.000 0.242 480 N C 0.855 176.433 175.510 0.114 0.000 1.010 480 N CA 0.045 53.188 53.050 0.154 0.000 0.939 480 N CB 1.856 40.497 38.487 0.257 0.000 1.127 480 N HN 0.665 nan 8.380 nan 0.000 0.509 481 A N 4.773 127.631 122.820 0.064 0.000 2.054 481 A HA -0.214 4.108 4.320 0.004 0.000 0.223 481 A C 1.840 179.251 177.584 -0.288 0.000 1.169 481 A CA 1.536 53.589 52.037 0.027 0.000 0.655 481 A CB -0.253 18.774 19.000 0.045 0.000 0.812 481 A HN 0.778 nan 8.150 nan 0.000 0.462 482 K N -2.146 118.037 120.400 -0.361 0.000 2.439 482 K HA 0.017 4.339 4.320 0.004 0.000 0.197 482 K C -0.762 175.222 176.600 -1.027 0.000 1.041 482 K CA 0.528 56.368 56.287 -0.745 0.000 0.970 482 K CB 0.020 31.959 32.500 -0.934 0.000 0.773 482 K HN 0.510 nan 8.250 nan 0.000 0.479 483 F N -0.071 119.716 119.950 -0.271 0.000 2.769 483 F HA 0.247 4.777 4.527 0.004 0.000 0.358 483 F C 0.666 176.442 175.800 -0.041 0.000 1.285 483 F CA -0.773 57.144 58.000 -0.139 0.000 1.199 483 F CB 0.377 39.337 39.000 -0.066 0.000 1.558 483 F HN -0.024 nan 8.300 nan 0.000 0.583 484 H N 0.322 119.447 119.070 0.091 0.000 2.395 484 H HA -0.041 4.518 4.556 0.004 0.000 0.299 484 H C 2.146 177.508 175.328 0.057 0.000 1.070 484 H CA 1.022 57.100 56.048 0.051 0.000 1.356 484 H CB 0.526 30.292 29.762 0.007 0.000 1.401 484 H HN 0.586 nan 8.280 nan 0.000 0.524 485 A N 1.178 124.109 122.820 0.185 0.000 1.969 485 A HA -0.181 4.141 4.320 0.004 0.000 0.218 485 A C 1.916 179.554 177.584 0.090 0.000 1.169 485 A CA 1.468 53.571 52.037 0.111 0.000 0.635 485 A CB -0.160 18.892 19.000 0.086 0.000 0.810 485 A HN 0.378 nan 8.150 nan 0.000 0.445 486 N N 0.360 119.128 118.700 0.114 0.000 2.142 486 N HA -0.124 4.619 4.740 0.004 0.000 0.186 486 N C 1.576 177.130 175.510 0.074 0.000 1.023 486 N CA 1.529 54.621 53.050 0.070 0.000 0.852 486 N CB -0.488 38.032 38.487 0.054 0.000 0.998 486 N HN 0.651 nan 8.380 nan 0.000 0.424 487 E N 0.786 121.056 120.200 0.117 0.000 2.085 487 E HA -0.115 4.238 4.350 0.004 0.000 0.194 487 E C 1.874 178.515 176.600 0.069 0.000 0.994 487 E CA 1.221 57.683 56.400 0.104 0.000 0.801 487 E CB -0.123 29.666 29.700 0.148 0.000 0.743 487 E HN 0.374 nan 8.360 nan 0.000 0.453 488 A N 1.428 124.285 122.820 0.062 0.000 1.930 488 A HA -0.045 4.277 4.320 0.004 0.000 0.217 488 A C 2.386 179.988 177.584 0.030 0.000 1.175 488 A CA 1.484 53.542 52.037 0.036 0.000 0.627 488 A CB -0.494 18.520 19.000 0.024 0.000 0.815 488 A HN 0.283 nan 8.150 nan 0.000 0.443 489 A N 0.037 122.874 122.820 0.029 0.000 1.933 489 A HA -0.081 4.241 4.320 0.004 0.000 0.218 489 A C 2.084 179.680 177.584 0.020 0.000 1.175 489 A CA 1.504 53.551 52.037 0.018 0.000 0.628 489 A CB -0.589 18.416 19.000 0.008 0.000 0.814 489 A HN 0.506 nan 8.150 nan 0.000 0.444 490 I N -0.650 119.935 120.570 0.026 0.000 2.179 490 I HA -0.208 3.964 4.170 0.004 0.000 0.242 490 I C 2.329 178.471 176.117 0.043 0.000 1.088 490 I CA 1.150 62.467 61.300 0.028 0.000 1.357 490 I CB -0.364 37.657 38.000 0.035 0.000 1.051 490 I HN 0.143 nan 8.210 nan 0.000 0.409 491 V N 1.065 121.007 119.914 0.047 0.000 2.407 491 V HA -0.302 3.820 4.120 0.004 0.000 0.248 491 V C 2.730 178.863 176.094 0.064 0.000 1.055 491 V CA 1.871 64.203 62.300 0.053 0.000 1.049 491 V CB -1.024 30.825 31.823 0.042 0.000 0.662 491 V HN 0.501 nan 8.190 nan 0.000 0.455 492 A N -0.668 122.186 122.820 0.057 0.000 1.892 492 A HA -0.289 4.033 4.320 0.004 0.000 0.218 492 A C 2.023 179.675 177.584 0.113 0.000 1.188 492 A CA 1.896 53.976 52.037 0.072 0.000 0.631 492 A CB -0.417 18.613 19.000 0.051 0.000 0.822 492 A HN 0.629 nan 8.150 nan 0.000 0.447 493 Q N -1.031 118.828 119.800 0.097 0.000 2.247 493 Q HA 0.353 4.696 4.340 0.004 0.000 0.205 493 Q C 1.605 177.703 176.000 0.162 0.000 0.896 493 Q CA 0.333 56.217 55.803 0.135 0.000 0.950 493 Q CB 0.120 28.868 28.738 0.016 0.000 1.054 493 Q HN 0.672 nan 8.270 nan 0.000 0.482 494 A N 0.208 123.109 122.820 0.134 0.000 2.119 494 A HA 0.059 4.381 4.320 0.004 0.000 0.216 494 A C 1.880 179.543 177.584 0.132 0.000 1.152 494 A CA 1.145 53.252 52.037 0.116 0.000 0.708 494 A CB -0.061 18.991 19.000 0.087 0.000 0.805 494 A HN 0.407 nan 8.150 nan 0.000 0.460 495 G N -2.411 106.485 108.800 0.161 0.000 3.088 495 G HA2 0.234 4.196 3.960 0.004 0.000 0.217 495 G HA3 0.234 4.196 3.960 0.004 0.000 0.217 495 G C 0.272 175.264 174.900 0.154 0.000 1.159 495 G CA -0.329 44.856 45.100 0.141 0.000 0.760 495 G HN 0.445 nan 8.290 nan 0.000 0.550 496 Y N 2.049 122.395 120.300 0.076 0.000 2.578 496 Y HA 0.229 4.781 4.550 0.004 0.000 0.339 496 Y C -1.724 174.194 175.900 0.030 0.000 1.231 496 Y CA -1.798 56.339 58.100 0.062 0.000 1.461 496 Y CB 0.754 39.255 38.460 0.070 0.000 1.323 496 Y HN -0.015 nan 8.280 nan 0.000 0.590 497 P HA -0.022 nan 4.420 nan 0.000 0.260 497 P C -0.172 177.231 177.300 0.171 0.000 1.172 497 P CA 1.728 64.820 63.100 -0.012 0.000 0.760 497 P CB 0.428 32.041 31.700 -0.144 0.000 0.773 498 A N 2.291 125.169 122.820 0.097 0.000 2.979 498 A HA -0.146 4.177 4.320 0.004 0.000 0.260 498 A C 0.877 178.525 177.584 0.107 0.000 1.282 498 A CA 0.800 52.888 52.037 0.086 0.000 0.971 498 A CB -2.336 16.709 19.000 0.074 0.000 1.124 498 A HN 0.795 nan 8.150 nan 0.000 0.826 499 A N -0.550 122.356 122.820 0.144 0.000 2.498 499 A HA 0.503 4.826 4.320 0.004 0.000 0.239 499 A C 0.299 177.939 177.584 0.093 0.000 1.068 499 A CA 0.935 53.046 52.037 0.123 0.000 0.766 499 A CB 0.299 19.391 19.000 0.153 0.000 1.003 499 A HN 1.505 nan 8.150 nan 0.000 0.497 500 V N 2.699 122.667 119.914 0.091 0.000 2.525 500 V HA 0.564 4.687 4.120 0.004 0.000 0.299 500 V C -0.171 175.985 176.094 0.104 0.000 1.034 500 V CA -0.386 61.967 62.300 0.089 0.000 0.863 500 V CB 1.925 33.804 31.823 0.093 0.000 0.999 500 V HN 0.971 nan 8.190 nan 0.000 0.423 501 T N 5.833 120.432 114.554 0.075 0.000 2.881 501 T HA 0.642 4.995 4.350 0.004 0.000 0.290 501 T C -0.782 173.947 174.700 0.049 0.000 1.000 501 T CA -0.414 61.730 62.100 0.072 0.000 0.978 501 T CB 1.596 70.501 68.868 0.060 0.000 0.997 501 T HN 0.306 nan 8.240 nan 0.000 0.443 502 I N 2.717 123.323 120.570 0.060 0.000 2.362 502 I HA 0.703 4.876 4.170 0.004 0.000 0.289 502 I C 0.240 176.383 176.117 0.045 0.000 0.994 502 I CA -1.418 59.902 61.300 0.034 0.000 1.158 502 I CB 0.531 38.549 38.000 0.030 0.000 1.315 502 I HN 0.768 nan 8.210 nan 0.000 0.451 503 A N 4.651 127.492 122.820 0.036 0.000 2.355 503 A HA 0.855 5.177 4.320 0.004 0.000 0.324 503 A C -0.223 177.392 177.584 0.052 0.000 1.117 503 A CA -0.468 51.598 52.037 0.048 0.000 0.785 503 A CB 1.124 20.152 19.000 0.046 0.000 1.254 503 A HN 0.617 nan 8.150 nan 0.000 0.453 504 T N 2.541 117.133 114.554 0.062 0.000 2.779 504 T HA 0.326 4.678 4.350 0.004 0.000 0.280 504 T C 0.022 174.774 174.700 0.086 0.000 0.987 504 T CA -0.375 61.766 62.100 0.068 0.000 0.966 504 T CB 0.343 69.248 68.868 0.061 0.000 0.933 504 T HN 0.689 nan 8.240 nan 0.000 0.442 505 N N 3.005 121.780 118.700 0.124 0.000 2.700 505 N HA -0.160 4.582 4.740 0.004 0.000 0.265 505 N C 0.042 175.604 175.510 0.086 0.000 0.975 505 N CA 0.522 53.665 53.050 0.155 0.000 0.800 505 N CB -0.674 37.906 38.487 0.155 0.000 0.908 505 N HN 0.699 nan 8.380 nan 0.000 0.551 506 M N 0.187 119.836 119.600 0.081 0.000 2.240 506 M HA -0.047 4.435 4.480 0.004 0.000 0.346 506 M C 1.520 177.831 176.300 0.018 0.000 1.236 506 M CA 0.599 55.928 55.300 0.048 0.000 0.986 506 M CB 0.373 33.003 32.600 0.051 0.000 1.786 506 M HN 0.398 nan 8.290 nan 0.000 0.457 507 A N 3.830 126.655 122.820 0.008 0.000 2.238 507 A HA 0.521 4.844 4.320 0.004 0.000 0.276 507 A C 0.686 178.264 177.584 -0.010 0.000 1.464 507 A CA 0.270 52.302 52.037 -0.008 0.000 0.835 507 A CB -0.605 18.390 19.000 -0.008 0.000 1.277 507 A HN 0.902 nan 8.150 nan 0.000 0.534 508 G N -3.558 105.236 108.800 -0.010 0.000 2.531 508 G HA2 0.465 4.427 3.960 0.004 0.000 0.313 508 G HA3 0.465 4.427 3.960 0.004 0.000 0.313 508 G C 0.544 175.446 174.900 0.003 0.000 1.238 508 G CA 0.350 45.449 45.100 -0.002 0.000 0.994 508 G HN 1.098 nan 8.290 nan 0.000 0.493 509 R N -0.875 119.630 120.500 0.008 0.000 3.266 509 R HA -0.264 4.078 4.340 0.004 0.000 0.386 509 R C 1.529 177.836 176.300 0.012 0.000 0.753 509 R CA 3.624 59.730 56.100 0.011 0.000 0.299 509 R CB -1.532 28.772 30.300 0.007 0.000 0.585 509 R HN 2.666 nan 8.270 nan 0.000 0.243 510 G N -2.237 106.566 108.800 0.006 0.000 2.907 510 G HA2 -0.296 3.667 3.960 0.004 0.000 0.242 510 G HA3 -0.296 3.667 3.960 0.004 0.000 0.242 510 G C -0.401 174.504 174.900 0.009 0.000 1.448 510 G CA 0.170 45.273 45.100 0.005 0.000 0.911 510 G HN 0.867 nan 8.290 nan 0.000 0.553 511 T N 0.716 115.275 114.554 0.008 0.000 2.799 511 T HA 0.386 4.739 4.350 0.004 0.000 0.296 511 T C 0.557 175.272 174.700 0.025 0.000 0.947 511 T CA 0.517 62.623 62.100 0.011 0.000 1.141 511 T CB 0.990 69.862 68.868 0.006 0.000 0.891 511 T HN 0.733 nan 8.240 nan 0.000 0.533 512 D N 2.049 122.465 120.400 0.028 0.000 2.629 512 D HA -0.013 4.629 4.640 0.004 0.000 0.228 512 D C -0.155 176.179 176.300 0.058 0.000 1.127 512 D CA 0.547 54.574 54.000 0.045 0.000 0.855 512 D CB 0.325 41.154 40.800 0.048 0.000 1.180 512 D HN 0.434 nan 8.370 nan 0.000 0.484 513 I N 4.064 124.677 120.570 0.071 0.000 2.301 513 I HA 0.108 4.280 4.170 0.004 0.000 0.292 513 I C -0.295 175.897 176.117 0.124 0.000 1.046 513 I CA -0.802 60.552 61.300 0.091 0.000 1.282 513 I CB 1.166 39.213 38.000 0.079 0.000 1.409 513 I HN 0.110 nan 8.210 nan 0.000 0.484 514 V N 7.708 127.719 119.914 0.163 0.000 2.488 514 V HA 0.165 4.287 4.120 0.004 0.000 0.277 514 V C 0.556 176.825 176.094 0.291 0.000 1.046 514 V CA -0.536 61.913 62.300 0.249 0.000 0.986 514 V CB 0.899 32.893 31.823 0.286 0.000 0.989 514 V HN 0.475 nan 8.190 nan 0.000 0.475 515 L N 4.873 126.262 121.223 0.278 0.000 2.453 515 L HA 0.362 4.704 4.340 0.004 0.000 0.272 515 L C 1.579 178.572 176.870 0.206 0.000 1.182 515 L CA 1.011 55.944 54.840 0.155 0.000 0.858 515 L CB -0.093 41.933 42.059 -0.056 0.000 1.120 515 L HN 0.973 nan 8.230 nan 0.000 0.474 516 G N 1.831 110.638 108.800 0.013 0.000 2.267 516 G HA2 -0.103 3.859 3.960 0.004 0.000 0.257 516 G HA3 -0.103 3.859 3.960 0.004 0.000 0.257 516 G C 0.577 175.577 174.900 0.168 0.000 0.998 516 G CA 0.097 45.135 45.100 -0.104 0.000 0.620 516 G HN 1.578 nan 8.290 nan 0.000 0.529 517 G N -1.802 107.243 108.800 0.408 0.000 2.497 517 G HA2 0.459 4.421 3.960 0.004 0.000 0.686 517 G HA3 0.459 4.421 3.960 0.004 0.000 0.686 517 G C -0.183 175.034 174.900 0.528 0.000 1.288 517 G CA 0.308 45.684 45.100 0.461 0.000 0.899 517 G HN 1.966 nan 8.290 nan 0.000 0.608 518 S N 0.549 116.426 115.700 0.295 0.000 2.465 518 S HA 0.488 4.961 4.470 0.004 0.000 0.279 518 S C 0.710 175.336 174.600 0.044 0.000 1.201 518 S CA -0.021 58.244 58.200 0.108 0.000 1.053 518 S CB 0.649 63.861 63.200 0.020 0.000 0.953 518 S HN 1.555 nan 8.310 nan 0.000 0.488 519 W N 2.985 124.044 121.300 -0.402 0.000 3.285 519 W HA 0.369 5.031 4.660 0.004 0.000 0.426 519 W C -0.545 175.827 176.519 -0.245 0.000 0.957 519 W CA -0.594 56.532 57.345 -0.365 0.000 1.932 519 W CB -1.220 27.845 29.460 -0.660 0.000 0.961 519 W HN 0.605 nan 8.180 nan 0.000 0.832 520 Q N 1.175 120.797 119.800 -0.298 0.000 2.517 520 Q HA 0.265 4.607 4.340 0.004 0.000 0.188 520 Q C 2.531 178.439 176.000 -0.153 0.000 0.736 520 Q CA 1.660 57.260 55.803 -0.338 0.000 0.834 520 Q CB -0.936 27.601 28.738 -0.336 0.000 1.198 520 Q HN 0.072 nan 8.270 nan 0.000 0.596 521 A N 1.314 124.081 122.820 -0.088 0.000 2.054 521 A HA -0.339 3.984 4.320 0.004 0.000 0.223 521 A C 1.758 179.341 177.584 -0.002 0.000 1.169 521 A CA 2.237 54.255 52.037 -0.031 0.000 0.655 521 A CB -0.604 18.399 19.000 0.004 0.000 0.812 521 A HN 0.451 nan 8.150 nan 0.000 0.462 522 E N -0.860 119.354 120.200 0.023 0.000 2.028 522 E HA -0.091 4.262 4.350 0.004 0.000 0.190 522 E C 2.149 178.767 176.600 0.029 0.000 0.984 522 E CA 1.316 57.748 56.400 0.053 0.000 0.800 522 E CB -0.362 29.405 29.700 0.113 0.000 0.758 522 E HN 0.644 nan 8.360 nan 0.000 0.448 523 V N 0.070 119.988 119.914 0.008 0.000 2.548 523 V HA 0.023 4.145 4.120 0.004 0.000 0.249 523 V C 2.090 178.164 176.094 -0.034 0.000 1.055 523 V CA 1.589 63.884 62.300 -0.009 0.000 1.065 523 V CB -0.362 31.447 31.823 -0.024 0.000 0.681 523 V HN 0.200 nan 8.190 nan 0.000 0.462 524 A N 0.046 122.834 122.820 -0.054 0.000 2.272 524 A HA 0.371 4.693 4.320 0.004 0.000 0.213 524 A C 2.029 179.595 177.584 -0.029 0.000 1.183 524 A CA 1.543 53.549 52.037 -0.052 0.000 0.719 524 A CB -0.706 18.255 19.000 -0.065 0.000 0.771 524 A HN 1.257 nan 8.150 nan 0.000 0.484 525 A N -1.344 121.467 122.820 -0.015 0.000 2.508 525 A HA 0.590 4.912 4.320 0.004 0.000 0.257 525 A C 0.183 177.766 177.584 -0.002 0.000 1.226 525 A CA -0.219 51.814 52.037 -0.007 0.000 0.947 525 A CB 0.142 19.142 19.000 -0.001 0.000 1.079 525 A HN 0.306 nan 8.150 nan 0.000 0.531 526 L N 1.508 122.730 121.223 -0.002 0.000 2.295 526 L HA 0.290 4.632 4.340 0.004 0.000 0.281 526 L C 1.151 178.020 176.870 -0.001 0.000 1.018 526 L CA -0.413 54.429 54.840 0.004 0.000 0.841 526 L CB 1.439 43.506 42.059 0.013 0.000 1.218 526 L HN 0.444 nan 8.230 nan 0.000 0.424 527 E N 2.232 122.431 120.200 -0.000 0.000 2.489 527 E HA -0.035 4.318 4.350 0.004 0.000 0.193 527 E C -0.287 176.312 176.600 -0.002 0.000 1.057 527 E CA 0.228 56.626 56.400 -0.003 0.000 0.866 527 E CB 0.177 29.875 29.700 -0.004 0.000 0.916 527 E HN 0.613 nan 8.360 nan 0.000 0.500 528 N N 1.624 120.325 118.700 0.002 0.000 2.946 528 N HA 0.141 4.883 4.740 0.004 0.000 0.213 528 N C -2.783 172.732 175.510 0.008 0.000 1.440 528 N CA -0.803 52.249 53.050 0.004 0.000 0.745 528 N CB 1.382 39.871 38.487 0.004 0.000 1.471 528 N HN -0.007 nan 8.380 nan 0.000 0.569 529 P HA 0.257 nan 4.420 nan 0.000 0.276 529 P C -0.333 176.978 177.300 0.018 0.000 1.261 529 P CA -0.054 63.057 63.100 0.018 0.000 0.800 529 P CB 1.804 33.516 31.700 0.019 0.000 1.066 530 T N -2.225 112.344 114.554 0.025 0.000 2.669 530 T HA 0.544 4.896 4.350 0.004 0.000 0.283 530 T C 1.116 175.835 174.700 0.032 0.000 1.019 530 T CA 0.178 62.293 62.100 0.024 0.000 1.039 530 T CB 0.695 69.575 68.868 0.020 0.000 1.374 530 T HN 0.272 nan 8.240 nan 0.000 0.523 531 A N 0.584 123.421 122.820 0.028 0.000 1.858 531 A HA 0.008 4.330 4.320 0.004 0.000 0.216 531 A C 1.846 179.450 177.584 0.033 0.000 1.190 531 A CA 2.445 54.501 52.037 0.032 0.000 0.617 531 A CB -1.231 17.783 19.000 0.024 0.000 0.827 531 A HN 0.887 nan 8.150 nan 0.000 0.443 532 E N 0.099 120.315 120.200 0.026 0.000 2.086 532 E HA -0.266 4.086 4.350 0.004 0.000 0.200 532 E C 2.223 178.843 176.600 0.033 0.000 1.012 532 E CA 2.044 58.459 56.400 0.025 0.000 0.812 532 E CB -0.321 29.391 29.700 0.021 0.000 0.743 532 E HN 0.777 nan 8.360 nan 0.000 0.453 533 Q N -0.267 119.557 119.800 0.039 0.000 1.965 533 Q HA -0.108 4.234 4.340 0.004 0.000 0.200 533 Q C 2.292 178.333 176.000 0.068 0.000 0.981 533 Q CA 1.175 57.007 55.803 0.048 0.000 0.834 533 Q CB -0.139 28.625 28.738 0.043 0.000 0.900 533 Q HN 0.250 nan 8.270 nan 0.000 0.426 534 I N 1.097 121.716 120.570 0.083 0.000 2.127 534 I HA -0.311 3.861 4.170 0.004 0.000 0.241 534 I C 2.430 178.617 176.117 0.115 0.000 1.075 534 I CA 1.705 63.086 61.300 0.134 0.000 1.334 534 I CB -1.305 36.789 38.000 0.157 0.000 1.040 534 I HN 0.442 nan 8.210 nan 0.000 0.405 535 E N 1.458 121.700 120.200 0.070 0.000 2.086 535 E HA -0.345 4.007 4.350 0.004 0.000 0.205 535 E C 2.205 178.812 176.600 0.011 0.000 1.027 535 E CA 2.301 58.714 56.400 0.022 0.000 0.830 535 E CB -0.054 29.657 29.700 0.019 0.000 0.751 535 E HN 0.142 nan 8.360 nan 0.000 0.456 536 K N 0.918 121.337 120.400 0.031 0.000 2.020 536 K HA -0.136 4.186 4.320 0.004 0.000 0.212 536 K C 2.059 178.692 176.600 0.056 0.000 1.050 536 K CA 1.805 58.114 56.287 0.036 0.000 0.929 536 K CB -0.714 31.811 32.500 0.041 0.000 0.714 536 K HN 0.333 nan 8.250 nan 0.000 0.443 537 I N 0.561 121.185 120.570 0.090 0.000 2.163 537 I HA -0.320 3.852 4.170 0.004 0.000 0.243 537 I C 2.567 178.773 176.117 0.148 0.000 1.085 537 I CA 1.481 62.867 61.300 0.143 0.000 1.347 537 I CB -0.263 37.849 38.000 0.188 0.000 1.044 537 I HN 0.292 nan 8.210 nan 0.000 0.408 538 K N 0.940 121.359 120.400 0.032 0.000 2.097 538 K HA -0.151 4.171 4.320 0.004 0.000 0.205 538 K C 2.145 178.673 176.600 -0.119 0.000 1.050 538 K CA 1.376 57.489 56.287 -0.290 0.000 0.938 538 K CB -0.001 32.124 32.500 -0.625 0.000 0.718 538 K HN 0.290 nan 8.250 nan 0.000 0.442 539 A N 1.557 124.341 122.820 -0.061 0.000 1.898 539 A HA -0.151 4.171 4.320 0.004 0.000 0.216 539 A C 1.654 179.232 177.584 -0.010 0.000 1.181 539 A CA 1.728 53.740 52.037 -0.042 0.000 0.620 539 A CB -0.380 18.601 19.000 -0.031 0.000 0.819 539 A HN 0.326 nan 8.150 nan 0.000 0.442 540 D N -1.559 118.861 120.400 0.033 0.000 2.178 540 D HA -0.151 4.491 4.640 0.004 0.000 0.202 540 D C 1.595 177.923 176.300 0.046 0.000 0.974 540 D CA 1.143 55.166 54.000 0.038 0.000 0.841 540 D CB -0.340 40.506 40.800 0.077 0.000 0.953 540 D HN 0.781 nan 8.370 nan 0.000 0.478 541 W N 1.787 123.041 121.300 -0.077 0.000 2.388 541 W HA -0.168 4.494 4.660 0.004 0.000 0.294 541 W C 2.342 178.800 176.519 -0.101 0.000 1.212 541 W CA 1.089 58.392 57.345 -0.070 0.000 1.271 541 W CB -0.136 29.281 29.460 -0.071 0.000 1.126 541 W HN -0.146 nan 8.180 nan 0.000 0.535 542 Q N 0.452 120.126 119.800 -0.210 0.000 2.124 542 Q HA -0.172 4.170 4.340 0.004 0.000 0.202 542 Q C 1.955 177.732 176.000 -0.372 0.000 0.977 542 Q CA 2.620 58.149 55.803 -0.457 0.000 0.850 542 Q CB -0.608 28.026 28.738 -0.173 0.000 0.901 542 Q HN 0.264 nan 8.270 nan 0.000 0.429 543 V N 0.365 120.136 119.914 -0.240 0.000 2.358 543 V HA -0.227 3.896 4.120 0.004 0.000 0.246 543 V C 2.277 178.223 176.094 -0.247 0.000 1.047 543 V CA 2.076 64.262 62.300 -0.190 0.000 1.035 543 V CB -0.516 31.234 31.823 -0.123 0.000 0.658 543 V HN 0.337 nan 8.190 nan 0.000 0.452 544 R N -0.820 119.494 120.500 -0.310 0.000 2.073 544 R HA -0.160 4.182 4.340 0.004 0.000 0.234 544 R C 2.428 178.487 176.300 -0.403 0.000 1.134 544 R CA 1.618 57.502 56.100 -0.360 0.000 0.952 544 R CB -0.716 29.333 30.300 -0.417 0.000 0.850 544 R HN 0.620 nan 8.270 nan 0.000 0.433 545 H N 1.312 119.947 119.070 -0.725 0.000 2.319 545 H HA -0.153 4.405 4.556 0.004 0.000 0.297 545 H C 1.078 176.150 175.328 -0.428 0.000 1.097 545 H CA 2.005 57.625 56.048 -0.712 0.000 1.285 545 H CB 0.132 29.082 29.762 -1.354 0.000 1.368 545 H HN 0.142 nan 8.280 nan 0.000 0.495 546 D N 0.390 120.628 120.400 -0.270 0.000 2.117 546 D HA -0.057 4.585 4.640 0.004 0.000 0.198 546 D C 2.313 178.488 176.300 -0.208 0.000 0.982 546 D CA 1.233 55.119 54.000 -0.191 0.000 0.828 546 D CB -0.552 40.173 40.800 -0.124 0.000 0.967 546 D HN 0.481 nan 8.370 nan 0.000 0.464 547 A N 0.583 123.279 122.820 -0.207 0.000 1.933 547 A HA -0.133 4.189 4.320 0.004 0.000 0.218 547 A C 2.479 179.956 177.584 -0.179 0.000 1.175 547 A CA 1.142 53.075 52.037 -0.172 0.000 0.628 547 A CB -0.674 18.230 19.000 -0.161 0.000 0.814 547 A HN 0.147 nan 8.150 nan 0.000 0.444 548 V N 0.059 119.834 119.914 -0.232 0.000 2.343 548 V HA -0.251 3.871 4.120 0.004 0.000 0.247 548 V C 2.551 178.527 176.094 -0.196 0.000 1.051 548 V CA 1.860 64.038 62.300 -0.203 0.000 1.036 548 V CB -0.766 30.927 31.823 -0.217 0.000 0.654 548 V HN 0.571 nan 8.190 nan 0.000 0.451 549 L N -0.233 120.825 121.223 -0.276 0.000 2.012 549 L HA -0.227 4.115 4.340 0.004 0.000 0.210 549 L C 2.668 179.457 176.870 -0.136 0.000 1.073 549 L CA 2.004 56.712 54.840 -0.219 0.000 0.748 549 L CB -0.516 41.388 42.059 -0.257 0.000 0.891 549 L HN 0.362 nan 8.230 nan 0.000 0.431 550 E N 0.282 120.404 120.200 -0.130 0.000 2.153 550 E HA -0.183 4.169 4.350 0.004 0.000 0.194 550 E C 1.920 178.473 176.600 -0.078 0.000 0.988 550 E CA 1.221 57.566 56.400 -0.092 0.000 0.811 550 E CB -0.061 29.586 29.700 -0.088 0.000 0.746 550 E HN 0.400 nan 8.360 nan 0.000 0.466 551 A N -0.904 121.864 122.820 -0.086 0.000 2.239 551 A HA 0.286 4.609 4.320 0.004 0.000 0.209 551 A C 1.635 179.184 177.584 -0.058 0.000 1.171 551 A CA 1.035 53.031 52.037 -0.068 0.000 0.768 551 A CB -0.489 18.470 19.000 -0.068 0.000 0.790 551 A HN 0.446 nan 8.150 nan 0.000 0.478 552 G N -3.184 105.582 108.800 -0.058 0.000 2.175 552 G HA2 0.303 4.265 3.960 0.004 0.000 0.182 552 G HA3 0.303 4.265 3.960 0.004 0.000 0.182 552 G C 1.335 176.223 174.900 -0.021 0.000 1.003 552 G CA 0.371 45.450 45.100 -0.035 0.000 0.666 552 G HN 2.180 nan 8.290 nan 0.000 0.506 553 G N -0.658 108.115 108.800 -0.046 0.000 2.601 553 G HA2 0.088 4.050 3.960 0.004 0.000 0.252 553 G HA3 0.088 4.050 3.960 0.004 0.000 0.252 553 G C 0.106 175.009 174.900 0.005 0.000 1.294 553 G CA 0.214 45.290 45.100 -0.040 0.000 0.912 553 G HN 1.713 nan 8.290 nan 0.000 0.574 554 L N 0.926 122.162 121.223 0.023 0.000 2.410 554 L HA 0.594 4.936 4.340 0.004 0.000 0.273 554 L C 0.560 177.483 176.870 0.089 0.000 1.144 554 L CA -0.193 54.677 54.840 0.051 0.000 0.863 554 L CB 0.478 42.560 42.059 0.038 0.000 1.140 554 L HN 0.814 nan 8.230 nan 0.000 0.463 555 H N 5.522 124.589 119.070 -0.005 0.000 2.604 555 H HA 0.429 4.987 4.556 0.004 0.000 0.306 555 H C -0.592 174.726 175.328 -0.016 0.000 1.075 555 H CA -0.609 55.435 56.048 -0.007 0.000 1.357 555 H CB 0.467 30.227 29.762 -0.003 0.000 1.426 555 H HN 0.508 nan 8.280 nan 0.000 0.470 556 I N 7.331 127.616 120.570 -0.474 0.000 2.365 556 I HA 0.161 4.334 4.170 0.004 0.000 0.291 556 I C 0.095 175.827 176.117 -0.642 0.000 1.004 556 I CA -0.383 60.656 61.300 -0.435 0.000 1.311 556 I CB 0.940 38.772 38.000 -0.279 0.000 1.401 556 I HN 0.614 nan 8.210 nan 0.000 0.491 557 I N 5.038 125.382 120.570 -0.376 0.000 2.354 557 I HA 0.292 4.464 4.170 0.004 0.000 0.286 557 I C 0.698 176.653 176.117 -0.270 0.000 1.007 557 I CA -0.392 60.761 61.300 -0.244 0.000 1.167 557 I CB 1.783 39.732 38.000 -0.085 0.000 1.320 557 I HN 0.631 nan 8.210 nan 0.000 0.458 558 G N 3.132 111.647 108.800 -0.474 0.000 2.356 558 G HA2 0.243 4.206 3.960 0.004 0.000 0.300 558 G HA3 0.243 4.206 3.960 0.004 0.000 0.300 558 G C 1.082 176.023 174.900 0.070 0.000 1.107 558 G CA -0.223 44.708 45.100 -0.282 0.000 0.960 558 G HN 0.751 nan 8.290 nan 0.000 0.418 559 T N -0.025 114.556 114.554 0.045 0.000 2.995 559 T HA 0.081 4.433 4.350 0.004 0.000 0.269 559 T C 0.587 175.357 174.700 0.118 0.000 1.091 559 T CA 0.843 62.971 62.100 0.046 0.000 1.128 559 T CB 0.134 68.977 68.868 -0.043 0.000 0.891 559 T HN 0.431 nan 8.240 nan 0.000 0.492 560 E N -0.509 119.767 120.200 0.127 0.000 2.413 560 E HA 0.575 4.928 4.350 0.004 0.000 0.277 560 E C -0.969 175.723 176.600 0.152 0.000 0.958 560 E CA -0.796 55.669 56.400 0.108 0.000 0.779 560 E CB 1.793 31.493 29.700 0.000 0.000 1.278 560 E HN 0.138 nan 8.360 nan 0.000 0.456 561 R N 0.866 121.432 120.500 0.110 0.000 2.457 561 R HA 0.422 4.764 4.340 0.004 0.000 0.284 561 R C -0.489 175.795 176.300 -0.027 0.000 1.024 561 R CA -0.674 55.467 56.100 0.069 0.000 1.025 561 R CB 0.656 30.940 30.300 -0.026 0.000 1.063 561 R HN 0.534 nan 8.270 nan 0.000 0.493 562 H N 0.385 119.475 119.070 0.033 0.000 2.607 562 H HA -0.011 4.547 4.556 0.004 0.000 0.367 562 H C 0.957 176.274 175.328 -0.019 0.000 1.181 562 H CA 0.105 56.164 56.048 0.017 0.000 1.402 562 H CB 1.040 30.817 29.762 0.025 0.000 1.474 562 H HN 0.643 nan 8.280 nan 0.000 0.596 563 E N 0.594 120.864 120.200 0.116 0.000 2.077 563 E HA -0.138 4.214 4.350 0.004 0.000 0.193 563 E C 0.305 176.928 176.600 0.038 0.000 0.989 563 E CA 0.784 57.208 56.400 0.040 0.000 0.800 563 E CB 0.156 29.875 29.700 0.032 0.000 0.746 563 E HN 0.347 nan 8.360 nan 0.000 0.452 564 S N 0.000 115.743 115.700 0.071 0.000 2.422 564 S HA 0.103 4.576 4.470 0.004 0.000 0.283 564 S C 0.694 175.302 174.600 0.014 0.000 1.163 564 S CA -0.338 57.879 58.200 0.028 0.000 1.054 564 S CB 0.806 64.008 63.200 0.004 0.000 0.967 564 S HN 0.211 nan 8.310 nan 0.000 0.499 565 R N 4.016 124.509 120.500 -0.013 0.000 2.152 565 R HA -0.040 4.303 4.340 0.004 0.000 0.232 565 R C 2.410 178.694 176.300 -0.027 0.000 1.117 565 R CA 1.288 57.362 56.100 -0.042 0.000 0.981 565 R CB -0.137 30.129 30.300 -0.057 0.000 0.870 565 R HN 0.700 nan 8.270 nan 0.000 0.451 566 R N 0.675 121.169 120.500 -0.010 0.000 2.105 566 R HA -0.154 4.189 4.340 0.004 0.000 0.239 566 R C 1.869 178.162 176.300 -0.012 0.000 1.135 566 R CA 1.732 57.831 56.100 -0.002 0.000 0.967 566 R CB -0.260 30.041 30.300 0.001 0.000 0.861 566 R HN 0.340 nan 8.270 nan 0.000 0.442 567 I N 0.677 121.222 120.570 -0.042 0.000 2.353 567 I HA -0.215 3.958 4.170 0.004 0.000 0.248 567 I C 1.530 177.656 176.117 0.016 0.000 1.119 567 I CA 0.987 62.235 61.300 -0.088 0.000 1.417 567 I CB -0.306 37.511 38.000 -0.305 0.000 1.078 567 I HN 0.108 nan 8.210 nan 0.000 0.421 568 D N 0.925 121.361 120.400 0.059 0.000 2.144 568 D HA -0.126 4.516 4.640 0.004 0.000 0.200 568 D C 1.869 178.271 176.300 0.170 0.000 0.978 568 D CA 1.038 55.120 54.000 0.137 0.000 0.833 568 D CB -0.328 40.352 40.800 -0.200 0.000 0.961 568 D HN 0.251 nan 8.370 nan 0.000 0.470 569 N N 0.747 119.486 118.700 0.065 0.000 2.270 569 N HA -0.084 4.658 4.740 0.004 0.000 0.181 569 N C 1.780 177.339 175.510 0.082 0.000 1.016 569 N CA 0.543 53.637 53.050 0.072 0.000 0.870 569 N CB -0.162 38.344 38.487 0.033 0.000 0.979 569 N HN 0.389 nan 8.380 nan 0.000 0.431 570 Q N 0.288 120.125 119.800 0.063 0.000 2.030 570 Q HA -0.134 4.208 4.340 0.004 0.000 0.204 570 Q C 2.014 178.055 176.000 0.069 0.000 0.986 570 Q CA 1.031 56.865 55.803 0.051 0.000 0.843 570 Q CB -0.325 28.427 28.738 0.023 0.000 0.904 570 Q HN 0.224 nan 8.270 nan 0.000 0.420 571 L N 1.618 122.902 121.223 0.102 0.000 1.990 571 L HA -0.255 4.087 4.340 0.004 0.000 0.213 571 L C 2.544 179.463 176.870 0.082 0.000 1.072 571 L CA 2.166 57.066 54.840 0.101 0.000 0.755 571 L CB -0.510 41.639 42.059 0.150 0.000 0.889 571 L HN 0.164 nan 8.230 nan 0.000 0.432 572 R N -0.747 119.843 120.500 0.150 0.000 2.120 572 R HA -0.074 4.269 4.340 0.004 0.000 0.234 572 R C 2.011 178.350 176.300 0.066 0.000 1.123 572 R CA 1.397 57.564 56.100 0.112 0.000 0.975 572 R CB -1.256 29.187 30.300 0.238 0.000 0.866 572 R HN 0.438 nan 8.270 nan 0.000 0.446 573 G N 0.676 109.517 108.800 0.069 0.000 2.625 573 G HA2 -0.162 3.800 3.960 0.004 0.000 0.214 573 G HA3 -0.162 3.800 3.960 0.004 0.000 0.214 573 G C 1.195 176.119 174.900 0.039 0.000 1.132 573 G CA 0.000 45.130 45.100 0.050 0.000 0.782 573 G HN 0.327 nan 8.290 nan 0.000 0.538 574 R N -0.066 120.454 120.500 0.034 0.000 2.280 574 R HA 0.107 4.450 4.340 0.004 0.000 0.207 574 R C 1.069 177.387 176.300 0.030 0.000 1.043 574 R CA 0.315 56.433 56.100 0.030 0.000 1.006 574 R CB 0.062 30.376 30.300 0.024 0.000 0.885 574 R HN 0.297 nan 8.270 nan 0.000 0.467 575 S N -1.292 114.423 115.700 0.024 0.000 2.638 575 S HA 0.470 4.942 4.470 0.004 0.000 0.298 575 S C 0.694 175.313 174.600 0.031 0.000 1.111 575 S CA 0.111 58.325 58.200 0.025 0.000 1.027 575 S CB 1.659 64.865 63.200 0.010 0.000 1.064 575 S HN 0.423 nan 8.310 nan 0.000 0.525 576 G N 2.653 111.472 108.800 0.032 0.000 2.143 576 G HA2 -0.214 3.748 3.960 0.004 0.000 0.248 576 G HA3 -0.214 3.748 3.960 0.004 0.000 0.248 576 G C -0.007 174.913 174.900 0.033 0.000 0.991 576 G CA 0.146 45.264 45.100 0.030 0.000 0.689 576 G HN 0.782 nan 8.290 nan 0.000 0.522 577 R N -0.154 120.371 120.500 0.041 0.000 2.543 577 R HA 0.385 4.728 4.340 0.004 0.000 0.277 577 R C 0.964 177.293 176.300 0.048 0.000 1.074 577 R CA 0.026 56.153 56.100 0.045 0.000 1.076 577 R CB 0.216 30.548 30.300 0.053 0.000 0.993 577 R HN 0.427 nan 8.270 nan 0.000 0.459 578 Q N 0.706 120.528 119.800 0.036 0.000 2.416 578 Q HA -0.263 4.079 4.340 0.004 0.000 0.319 578 Q C 0.730 176.743 176.000 0.022 0.000 1.318 578 Q CA 0.989 56.806 55.803 0.024 0.000 0.915 578 Q CB -1.436 27.328 28.738 0.044 0.000 1.184 578 Q HN 1.177 nan 8.270 nan 0.000 0.444 579 G N -1.218 107.591 108.800 0.015 0.000 2.179 579 G HA2 -0.284 3.679 3.960 0.004 0.000 0.260 579 G HA3 -0.284 3.679 3.960 0.004 0.000 0.260 579 G C -0.171 174.740 174.900 0.020 0.000 0.977 579 G CA -0.047 45.059 45.100 0.010 0.000 0.641 579 G HN 0.467 nan 8.290 nan 0.000 0.533 580 D N 1.203 121.622 120.400 0.032 0.000 2.449 580 D HA 0.496 5.138 4.640 0.004 0.000 0.236 580 D C 1.111 177.413 176.300 0.004 0.000 1.149 580 D CA 0.866 54.878 54.000 0.021 0.000 0.878 580 D CB 0.866 41.686 40.800 0.033 0.000 1.198 580 D HN 0.789 nan 8.370 nan 0.000 0.446 581 A N 1.224 124.034 122.820 -0.017 0.000 2.483 581 A HA 0.545 4.868 4.320 0.004 0.000 0.238 581 A C 0.738 178.322 177.584 -0.001 0.000 1.070 581 A CA 0.652 52.681 52.037 -0.014 0.000 0.770 581 A CB 0.281 19.260 19.000 -0.035 0.000 1.008 581 A HN 0.602 nan 8.150 nan 0.000 0.497 582 G N -0.701 108.110 108.800 0.018 0.000 2.451 582 G HA2 0.681 4.643 3.960 0.004 0.000 0.292 582 G HA3 0.681 4.643 3.960 0.004 0.000 0.292 582 G C -0.810 174.129 174.900 0.066 0.000 1.427 582 G CA 0.244 45.368 45.100 0.039 0.000 0.792 582 G HN 1.929 nan 8.290 nan 0.000 0.498 583 S N -1.520 114.245 115.700 0.108 0.000 2.625 583 S HA 0.910 5.382 4.470 0.004 0.000 0.271 583 S C -0.608 174.028 174.600 0.059 0.000 1.161 583 S CA 0.036 58.323 58.200 0.145 0.000 0.820 583 S CB 1.574 64.927 63.200 0.255 0.000 1.137 583 S HN 2.301 nan 8.310 nan 0.000 0.470 584 S N -0.002 115.709 115.700 0.018 0.000 2.541 584 S HA 0.850 5.322 4.470 0.004 0.000 0.271 584 S C -1.076 173.485 174.600 -0.064 0.000 1.133 584 S CA -0.892 57.202 58.200 -0.177 0.000 0.876 584 S CB 2.052 65.210 63.200 -0.071 0.000 1.105 584 S HN 1.143 nan 8.310 nan 0.000 0.470 585 R N 1.113 121.487 120.500 -0.210 0.000 2.548 585 R HA 0.669 5.011 4.340 0.004 0.000 0.280 585 R C -2.220 173.974 176.300 -0.177 0.000 1.061 585 R CA -0.498 55.567 56.100 -0.059 0.000 0.915 585 R CB 0.935 31.278 30.300 0.071 0.000 1.210 585 R HN 0.654 nan 8.270 nan 0.000 0.442 586 F N 3.717 123.631 119.950 -0.059 0.000 2.422 586 F HA 0.477 5.007 4.527 0.004 0.000 0.333 586 F C -0.419 175.312 175.800 -0.115 0.000 1.095 586 F CA -0.368 57.640 58.000 0.014 0.000 1.038 586 F CB 1.308 40.319 39.000 0.018 0.000 1.156 586 F HN 0.394 nan 8.300 nan 0.000 0.483 587 Y N 2.704 123.132 120.300 0.212 0.000 2.420 587 Y HA 0.709 5.261 4.550 0.004 0.000 0.334 587 Y C -0.614 175.396 175.900 0.183 0.000 1.094 587 Y CA -0.846 57.372 58.100 0.196 0.000 1.126 587 Y CB 1.558 40.096 38.460 0.130 0.000 1.217 587 Y HN 0.323 nan 8.280 nan 0.000 0.462 588 L N 1.641 123.051 121.223 0.311 0.000 2.415 588 L HA 0.711 5.053 4.340 0.004 0.000 0.256 588 L C -0.622 176.396 176.870 0.246 0.000 1.010 588 L CA -0.553 54.419 54.840 0.220 0.000 0.826 588 L CB 2.525 44.666 42.059 0.138 0.000 1.405 588 L HN 0.663 nan 8.230 nan 0.000 0.410 589 S N -0.118 115.690 115.700 0.181 0.000 2.632 589 S HA 0.545 5.017 4.470 0.004 0.000 0.289 589 S C 0.503 175.169 174.600 0.111 0.000 1.115 589 S CA -0.802 57.498 58.200 0.167 0.000 0.889 589 S CB 1.435 64.727 63.200 0.153 0.000 1.116 589 S HN 0.455 nan 8.310 nan 0.000 0.486 590 M N 1.119 120.772 119.600 0.089 0.000 2.358 590 M HA 0.007 4.490 4.480 0.004 0.000 0.264 590 M C 1.192 177.533 176.300 0.068 0.000 1.064 590 M CA 1.347 56.685 55.300 0.064 0.000 1.093 590 M CB -1.787 30.839 32.600 0.043 0.000 1.401 590 M HN 0.824 nan 8.290 nan 0.000 0.440 591 E N 0.062 120.303 120.200 0.068 0.000 2.476 591 E HA 0.013 4.366 4.350 0.004 0.000 0.191 591 E C -0.445 176.189 176.600 0.057 0.000 1.064 591 E CA -0.157 56.277 56.400 0.056 0.000 0.866 591 E CB 0.107 29.835 29.700 0.047 0.000 0.952 591 E HN 0.385 nan 8.360 nan 0.000 0.492 592 D N 0.365 120.807 120.400 0.071 0.000 2.255 592 D HA 0.157 4.799 4.640 0.004 0.000 0.249 592 D C 0.957 177.292 176.300 0.059 0.000 1.078 592 D CA -0.131 53.906 54.000 0.062 0.000 0.896 592 D CB 1.471 42.316 40.800 0.075 0.000 1.194 592 D HN -0.004 nan 8.370 nan 0.000 0.429 593 A N 2.382 125.224 122.820 0.037 0.000 1.958 593 A HA -0.222 4.101 4.320 0.004 0.000 0.221 593 A C 1.966 179.570 177.584 0.033 0.000 1.178 593 A CA 1.216 53.272 52.037 0.031 0.000 0.642 593 A CB -0.657 18.351 19.000 0.014 0.000 0.816 593 A HN 0.563 nan 8.150 nan 0.000 0.453 594 L N -1.780 119.459 121.223 0.027 0.000 2.447 594 L HA -0.080 4.262 4.340 0.004 0.000 0.225 594 L C 2.199 179.106 176.870 0.062 0.000 1.148 594 L CA 1.516 56.362 54.840 0.010 0.000 0.808 594 L CB -0.279 41.784 42.059 0.007 0.000 0.928 594 L HN 0.437 nan 8.230 nan 0.000 0.448 595 M N -1.713 117.981 119.600 0.156 0.000 2.618 595 M HA 0.037 4.519 4.480 0.004 0.000 0.240 595 M C 1.351 177.831 176.300 0.300 0.000 1.123 595 M CA 0.631 56.135 55.300 0.341 0.000 1.060 595 M CB 0.029 32.784 32.600 0.260 0.000 1.535 595 M HN -0.049 nan 8.290 nan 0.000 0.507 596 R N 0.098 120.672 120.500 0.124 0.000 2.334 596 R HA 0.190 4.532 4.340 0.004 0.000 0.220 596 R C 1.617 177.913 176.300 -0.006 0.000 0.917 596 R CA 0.395 56.541 56.100 0.077 0.000 1.073 596 R CB -0.768 29.561 30.300 0.049 0.000 1.056 596 R HN 0.589 nan 8.270 nan 0.000 0.506 597 I N -2.596 117.896 120.570 -0.130 0.000 2.617 597 I HA 0.042 4.214 4.170 0.004 0.000 0.256 597 I C -0.037 175.877 176.117 -0.338 0.000 1.167 597 I CA 0.487 61.625 61.300 -0.270 0.000 1.469 597 I CB -0.214 37.547 38.000 -0.398 0.000 1.098 597 I HN -0.277 nan 8.210 nan 0.000 0.436 598 F N 2.197 122.160 119.950 0.021 0.000 2.467 598 F HA 0.473 5.003 4.527 0.004 0.000 0.362 598 F C 1.369 177.181 175.800 0.022 0.000 1.090 598 F CA -0.541 57.474 58.000 0.024 0.000 1.202 598 F CB 0.771 39.789 39.000 0.030 0.000 1.113 598 F HN -0.062 nan 8.300 nan 0.000 0.541 599 A N 2.194 125.112 122.820 0.162 0.000 2.327 599 A HA 0.192 4.515 4.320 0.004 0.000 0.228 599 A C 0.736 178.380 177.584 0.100 0.000 1.275 599 A CA 0.144 52.242 52.037 0.101 0.000 0.875 599 A CB -0.392 18.647 19.000 0.065 0.000 0.925 599 A HN 0.520 nan 8.150 nan 0.000 0.493 600 S N -0.685 115.094 115.700 0.131 0.000 2.552 600 S HA 0.340 4.812 4.470 0.004 0.000 0.314 600 S C 0.595 175.240 174.600 0.075 0.000 1.099 600 S CA -0.516 57.734 58.200 0.084 0.000 1.070 600 S CB 1.199 64.435 63.200 0.061 0.000 0.998 600 S HN 0.440 nan 8.310 nan 0.000 0.474 601 D N 3.558 123.990 120.400 0.055 0.000 2.092 601 D HA -0.123 4.520 4.640 0.004 0.000 0.193 601 D C 1.901 178.214 176.300 0.023 0.000 0.994 601 D CA 1.544 55.569 54.000 0.042 0.000 0.828 601 D CB 0.112 40.932 40.800 0.033 0.000 0.963 601 D HN 0.585 nan 8.370 nan 0.000 0.450 602 R N -0.445 120.064 120.500 0.015 0.000 2.153 602 R HA -0.012 4.331 4.340 0.004 0.000 0.218 602 R C 2.186 178.476 176.300 -0.016 0.000 1.072 602 R CA 0.500 56.600 56.100 0.000 0.000 0.990 602 R CB 0.020 30.321 30.300 0.002 0.000 0.889 602 R HN 0.137 nan 8.270 nan 0.000 0.452 603 V N -0.012 119.892 119.914 -0.016 0.000 2.270 603 V HA -0.222 3.900 4.120 0.004 0.000 0.245 603 V C 2.145 178.179 176.094 -0.100 0.000 1.043 603 V CA 1.935 64.208 62.300 -0.045 0.000 1.014 603 V CB -0.437 31.372 31.823 -0.024 0.000 0.645 603 V HN 0.313 nan 8.190 nan 0.000 0.447 604 S N 0.513 116.142 115.700 -0.118 0.000 2.407 604 S HA -0.175 4.297 4.470 0.004 0.000 0.235 604 S C 1.768 176.312 174.600 -0.094 0.000 1.036 604 S CA 1.432 59.531 58.200 -0.169 0.000 1.013 604 S CB -0.542 62.614 63.200 -0.072 0.000 0.820 604 S HN 0.732 nan 8.310 nan 0.000 0.476 605 G N -0.436 108.335 108.800 -0.048 0.000 3.210 605 G HA2 0.112 4.075 3.960 0.004 0.000 0.220 605 G HA3 0.112 4.075 3.960 0.004 0.000 0.220 605 G C 0.914 175.798 174.900 -0.026 0.000 1.200 605 G CA -0.072 45.011 45.100 -0.027 0.000 0.834 605 G HN 0.340 nan 8.290 nan 0.000 0.524 606 M N -0.513 119.065 119.600 -0.036 0.000 2.501 606 M HA 0.437 4.919 4.480 0.004 0.000 0.261 606 M C 2.130 178.420 176.300 -0.016 0.000 1.129 606 M CA 0.533 55.817 55.300 -0.026 0.000 1.126 606 M CB 0.036 32.615 32.600 -0.034 0.000 1.359 606 M HN 0.146 nan 8.290 nan 0.000 0.471 607 M N -0.183 119.403 119.600 -0.023 0.000 2.108 607 M HA -0.090 4.392 4.480 0.004 0.000 0.261 607 M C 1.079 177.371 176.300 -0.014 0.000 1.066 607 M CA 1.469 56.755 55.300 -0.024 0.000 1.107 607 M CB -0.184 32.385 32.600 -0.051 0.000 1.356 607 M HN -0.027 nan 8.290 nan 0.000 0.406 608 R N -0.108 120.384 120.500 -0.013 0.000 3.385 608 R HA -0.011 4.331 4.340 0.004 0.000 0.236 608 R C 0.824 177.123 176.300 -0.003 0.000 1.663 608 R CA 0.435 56.534 56.100 -0.002 0.000 1.444 608 R CB -0.092 30.208 30.300 0.001 0.000 1.218 608 R HN 0.148 nan 8.270 nan 0.000 0.575 609 K N -0.348 120.049 120.400 -0.004 0.000 2.705 609 K HA 0.050 4.372 4.320 0.004 0.000 0.197 609 K C -0.137 176.463 176.600 -0.000 0.000 1.624 609 K CA 0.236 56.521 56.287 -0.003 0.000 1.197 609 K CB 0.389 32.883 32.500 -0.010 0.000 1.603 609 K HN 0.092 nan 8.250 nan 0.000 0.597 610 L N 0.737 121.960 121.223 -0.001 0.000 2.480 610 L HA 0.568 4.910 4.340 0.004 0.000 0.243 610 L C 0.594 177.473 176.870 0.014 0.000 1.315 610 L CA -0.332 54.513 54.840 0.008 0.000 1.231 610 L CB 0.330 42.391 42.059 0.002 0.000 1.444 610 L HN 0.109 nan 8.230 nan 0.000 0.409 611 G N 2.227 111.037 108.800 0.016 0.000 3.316 611 G HA2 0.395 4.357 3.960 0.004 0.000 0.255 611 G HA3 0.395 4.357 3.960 0.004 0.000 0.255 611 G C 0.416 175.332 174.900 0.026 0.000 0.880 611 G CA -0.710 44.401 45.100 0.018 0.000 1.956 611 G HN 0.563 nan 8.290 nan 0.000 0.634 612 M N -0.083 119.529 119.600 0.020 0.000 3.984 612 M HA -0.214 4.268 4.480 0.004 0.000 0.185 612 M C 0.229 176.557 176.300 0.047 0.000 1.526 612 M CA 1.334 56.644 55.300 0.016 0.000 1.077 612 M CB -0.550 32.041 32.600 -0.016 0.000 1.373 612 M HN 0.393 nan 8.290 nan 0.000 0.224 613 K N 4.124 124.553 120.400 0.049 0.000 2.466 613 K HA 0.579 4.902 4.320 0.004 0.000 0.260 613 K C -1.829 174.810 176.600 0.064 0.000 1.011 613 K CA -1.641 54.678 56.287 0.054 0.000 0.871 613 K CB 2.228 34.751 32.500 0.039 0.000 1.404 613 K HN 0.302 nan 8.250 nan 0.000 0.450 614 P HA -0.088 nan 4.420 nan 0.000 0.208 614 P C 0.541 177.876 177.300 0.059 0.000 1.200 614 P CA 1.095 64.231 63.100 0.060 0.000 0.924 614 P CB -0.044 31.681 31.700 0.041 0.000 0.774 615 G N 0.122 108.947 108.800 0.041 0.000 3.860 615 G HA2 0.255 4.217 3.960 0.004 0.000 0.269 615 G HA3 0.255 4.217 3.960 0.004 0.000 0.269 615 G C -0.330 174.589 174.900 0.031 0.000 1.112 615 G CA -0.188 44.933 45.100 0.035 0.000 1.674 615 G HN 0.288 nan 8.290 nan 0.000 0.628 616 E N 0.247 120.471 120.200 0.039 0.000 2.952 616 E HA 0.243 4.595 4.350 0.004 0.000 0.347 616 E C -0.089 176.527 176.600 0.025 0.000 1.103 616 E CA -0.527 55.889 56.400 0.027 0.000 0.910 616 E CB 0.796 30.512 29.700 0.026 0.000 1.428 616 E HN 0.390 nan 8.360 nan 0.000 0.389 617 A N 1.062 123.896 122.820 0.023 0.000 2.340 617 A HA 0.571 4.893 4.320 0.004 0.000 0.268 617 A C 0.549 178.107 177.584 -0.043 0.000 1.100 617 A CA -0.108 51.927 52.037 -0.003 0.000 0.803 617 A CB 0.503 19.516 19.000 0.021 0.000 1.043 617 A HN 0.525 nan 8.150 nan 0.000 0.488 618 I N -0.370 120.143 120.570 -0.095 0.000 3.632 618 I HA 0.245 4.417 4.170 0.004 0.000 0.246 618 I C -0.175 175.800 176.117 -0.236 0.000 1.125 618 I CA 0.309 61.512 61.300 -0.162 0.000 1.519 618 I CB 0.217 38.103 38.000 -0.191 0.000 1.555 618 I HN 0.841 nan 8.210 nan 0.000 0.452 619 E N 1.152 121.147 120.200 -0.341 0.000 7.533 619 E HA -0.085 4.267 4.350 0.004 0.000 0.371 619 E C -1.280 174.979 176.600 -0.568 0.000 0.627 619 E CA -0.054 56.144 56.400 -0.337 0.000 1.217 619 E CB -0.389 29.197 29.700 -0.189 0.000 0.935 619 E HN 0.402 nan 8.360 nan 0.000 0.262 620 H N 3.502 122.497 119.070 -0.125 0.000 2.727 620 H HA 0.182 4.741 4.556 0.004 0.000 0.330 620 H C -1.869 173.349 175.328 -0.183 0.000 0.986 620 H CA -1.924 54.053 56.048 -0.118 0.000 1.251 620 H CB 1.450 31.098 29.762 -0.191 0.000 1.493 620 H HN 0.261 nan 8.280 nan 0.000 0.515 621 P HA -0.146 nan 4.420 nan 0.000 0.222 621 P C 1.818 179.135 177.300 0.029 0.000 1.147 621 P CA 0.939 64.050 63.100 0.018 0.000 0.790 621 P CB 0.019 31.756 31.700 0.062 0.000 0.780 622 W N 0.252 121.588 121.300 0.060 0.000 2.425 622 W HA -0.057 4.606 4.660 0.004 0.000 0.277 622 W C 1.111 177.646 176.519 0.028 0.000 1.231 622 W CA 0.255 57.618 57.345 0.031 0.000 1.248 622 W CB -1.594 27.872 29.460 0.010 0.000 1.117 622 W HN -0.249 nan 8.180 nan 0.000 0.568 623 V N 2.303 121.580 119.914 -1.062 0.000 2.358 623 V HA -0.292 3.831 4.120 0.004 0.000 0.246 623 V C 2.594 178.466 176.094 -0.370 0.000 1.047 623 V CA 2.770 64.473 62.300 -0.995 0.000 1.035 623 V CB -1.314 29.980 31.823 -0.882 0.000 0.658 623 V HN 0.183 nan 8.190 nan 0.000 0.452 624 T N -0.438 113.977 114.554 -0.233 0.000 2.708 624 T HA -0.221 4.132 4.350 0.004 0.000 0.266 624 T C 1.992 176.660 174.700 -0.052 0.000 1.037 624 T CA 1.667 63.700 62.100 -0.112 0.000 1.146 624 T CB -0.190 68.633 68.868 -0.075 0.000 0.865 624 T HN 0.404 nan 8.240 nan 0.000 0.435 625 K N 1.104 121.497 120.400 -0.012 0.000 2.026 625 K HA 0.053 4.375 4.320 0.004 0.000 0.208 625 K C 2.564 179.210 176.600 0.078 0.000 1.048 625 K CA 1.212 57.527 56.287 0.047 0.000 0.929 625 K CB -0.344 32.217 32.500 0.101 0.000 0.713 625 K HN 0.271 nan 8.250 nan 0.000 0.439 626 A N 0.897 123.787 122.820 0.117 0.000 1.933 626 A HA -0.154 4.169 4.320 0.004 0.000 0.218 626 A C 2.128 179.831 177.584 0.198 0.000 1.175 626 A CA 1.413 53.575 52.037 0.207 0.000 0.628 626 A CB -0.610 18.566 19.000 0.293 0.000 0.814 626 A HN 0.203 nan 8.150 nan 0.000 0.444 627 I N -0.310 120.329 120.570 0.115 0.000 2.252 627 I HA -0.231 3.941 4.170 0.004 0.000 0.245 627 I C 2.949 179.061 176.117 -0.009 0.000 1.102 627 I CA 1.011 62.364 61.300 0.089 0.000 1.385 627 I CB -0.311 37.712 38.000 0.039 0.000 1.064 627 I HN 0.327 nan 8.210 nan 0.000 0.414 628 A N 0.506 123.313 122.820 -0.020 0.000 1.902 628 A HA -0.274 4.049 4.320 0.004 0.000 0.217 628 A C 2.190 179.754 177.584 -0.034 0.000 1.181 628 A CA 2.151 54.162 52.037 -0.043 0.000 0.623 628 A CB -1.001 17.977 19.000 -0.036 0.000 0.818 628 A HN 0.545 nan 8.150 nan 0.000 0.443 629 N N -0.103 118.598 118.700 0.002 0.000 2.188 629 N HA -0.097 4.645 4.740 0.004 0.000 0.184 629 N C 1.909 177.405 175.510 -0.024 0.000 1.018 629 N CA 1.064 54.115 53.050 0.002 0.000 0.858 629 N CB -0.151 38.364 38.487 0.046 0.000 0.989 629 N HN 0.406 nan 8.380 nan 0.000 0.426 630 A N 0.945 123.742 122.820 -0.037 0.000 1.930 630 A HA -0.139 4.183 4.320 0.004 0.000 0.217 630 A C 2.088 179.567 177.584 -0.174 0.000 1.175 630 A CA 1.020 52.964 52.037 -0.156 0.000 0.627 630 A CB -0.482 18.266 19.000 -0.420 0.000 0.815 630 A HN 0.420 nan 8.150 nan 0.000 0.443 631 Q N -0.930 118.783 119.800 -0.145 0.000 2.084 631 Q HA -0.186 4.156 4.340 0.004 0.000 0.202 631 Q C 2.349 178.303 176.000 -0.076 0.000 0.978 631 Q CA 1.590 57.327 55.803 -0.110 0.000 0.844 631 Q CB -0.213 28.470 28.738 -0.092 0.000 0.898 631 Q HN 0.732 nan 8.270 nan 0.000 0.426 632 R N 1.309 121.763 120.500 -0.078 0.000 2.092 632 R HA -0.135 4.207 4.340 0.004 0.000 0.231 632 R C 1.694 177.933 176.300 -0.102 0.000 1.119 632 R CA 1.405 57.448 56.100 -0.095 0.000 0.970 632 R CB 0.086 30.320 30.300 -0.111 0.000 0.864 632 R HN 0.066 nan 8.270 nan 0.000 0.440 633 K N -0.066 120.286 120.400 -0.081 0.000 2.211 633 K HA -0.041 4.281 4.320 0.004 0.000 0.203 633 K C 1.949 178.526 176.600 -0.038 0.000 1.050 633 K CA 1.127 57.378 56.287 -0.060 0.000 0.945 633 K CB 0.147 32.621 32.500 -0.042 0.000 0.732 633 K HN 0.034 nan 8.250 nan 0.000 0.451 634 V N 1.244 121.129 119.914 -0.048 0.000 2.379 634 V HA -0.193 3.929 4.120 0.004 0.000 0.245 634 V C 2.268 178.380 176.094 0.032 0.000 1.044 634 V CA 1.718 64.005 62.300 -0.022 0.000 1.036 634 V CB -0.277 31.517 31.823 -0.048 0.000 0.664 634 V HN 0.280 nan 8.190 nan 0.000 0.453 635 E N 0.538 120.761 120.200 0.039 0.000 2.085 635 E HA -0.220 4.132 4.350 0.004 0.000 0.194 635 E C 2.466 179.208 176.600 0.236 0.000 0.994 635 E CA 1.936 58.412 56.400 0.128 0.000 0.801 635 E CB -0.551 29.231 29.700 0.136 0.000 0.743 635 E HN 0.511 nan 8.360 nan 0.000 0.453 636 S N -0.643 115.136 115.700 0.133 0.000 2.406 636 S HA -0.097 4.375 4.470 0.004 0.000 0.228 636 S C 2.117 176.843 174.600 0.210 0.000 1.020 636 S CA 1.192 59.501 58.200 0.181 0.000 0.965 636 S CB -0.262 62.884 63.200 -0.090 0.000 0.798 636 S HN 0.301 nan 8.310 nan 0.000 0.488 637 R N 0.790 121.358 120.500 0.113 0.000 2.075 637 R HA 0.021 4.363 4.340 0.004 0.000 0.232 637 R C 2.054 178.416 176.300 0.103 0.000 1.126 637 R CA 1.905 58.057 56.100 0.087 0.000 0.963 637 R CB -0.448 29.879 30.300 0.045 0.000 0.858 637 R HN 0.579 nan 8.270 nan 0.000 0.435 638 N N -0.576 118.199 118.700 0.125 0.000 2.142 638 N HA -0.174 4.568 4.740 0.004 0.000 0.186 638 N C 1.456 177.067 175.510 0.168 0.000 1.023 638 N CA 1.127 54.250 53.050 0.121 0.000 0.852 638 N CB -0.205 38.352 38.487 0.116 0.000 0.998 638 N HN 0.100 nan 8.380 nan 0.000 0.424 639 F N 2.347 122.350 119.950 0.089 0.000 2.216 639 F HA -0.161 4.369 4.527 0.004 0.000 0.300 639 F C 1.619 177.461 175.800 0.069 0.000 1.085 639 F CA 1.273 59.316 58.000 0.072 0.000 1.326 639 F CB -0.226 38.859 39.000 0.142 0.000 1.027 639 F HN -0.021 nan 8.300 nan 0.000 0.497 640 D N 0.355 120.760 120.400 0.009 0.000 2.144 640 D HA -0.181 4.461 4.640 0.004 0.000 0.199 640 D C 2.435 178.662 176.300 -0.122 0.000 0.984 640 D CA 1.595 55.542 54.000 -0.088 0.000 0.834 640 D CB -0.343 40.472 40.800 0.025 0.000 0.955 640 D HN 0.336 nan 8.370 nan 0.000 0.465 641 I N 0.269 120.803 120.570 -0.061 0.000 2.202 641 I HA -0.191 3.981 4.170 0.004 0.000 0.242 641 I C 2.536 178.606 176.117 -0.077 0.000 1.091 641 I CA 0.744 62.019 61.300 -0.042 0.000 1.368 641 I CB -0.054 37.944 38.000 -0.003 0.000 1.058 641 I HN -0.120 nan 8.210 nan 0.000 0.410 642 R N 1.156 121.588 120.500 -0.114 0.000 2.081 642 R HA -0.189 4.154 4.340 0.004 0.000 0.235 642 R C 2.277 178.436 176.300 -0.234 0.000 1.131 642 R CA 1.528 57.545 56.100 -0.137 0.000 0.960 642 R CB -0.079 30.163 30.300 -0.098 0.000 0.856 642 R HN 0.188 nan 8.270 nan 0.000 0.436 643 K N -0.174 119.948 120.400 -0.463 0.000 2.103 643 K HA -0.167 4.155 4.320 0.004 0.000 0.207 643 K C 2.177 178.673 176.600 -0.174 0.000 1.048 643 K CA 1.350 57.385 56.287 -0.420 0.000 0.930 643 K CB 0.023 32.206 32.500 -0.529 0.000 0.716 643 K HN 0.256 nan 8.250 nan 0.000 0.444 644 Q N 0.600 120.334 119.800 -0.110 0.000 2.124 644 Q HA -0.113 4.230 4.340 0.004 0.000 0.202 644 Q C 2.195 178.255 176.000 0.100 0.000 0.977 644 Q CA 1.203 57.005 55.803 -0.001 0.000 0.850 644 Q CB -0.236 28.521 28.738 0.032 0.000 0.901 644 Q HN 0.370 nan 8.270 nan 0.000 0.429 645 L N -0.145 121.112 121.223 0.057 0.000 2.141 645 L HA -0.129 4.213 4.340 0.004 0.000 0.209 645 L C 2.292 179.220 176.870 0.096 0.000 1.094 645 L CA 0.618 55.516 54.840 0.097 0.000 0.763 645 L CB -0.384 41.675 42.059 0.000 0.000 0.908 645 L HN 0.155 nan 8.230 nan 0.000 0.437 646 L N -0.642 120.590 121.223 0.015 0.000 2.291 646 L HA -0.134 4.208 4.340 0.004 0.000 0.214 646 L C 2.402 179.285 176.870 0.020 0.000 1.120 646 L CA 0.807 55.648 54.840 0.002 0.000 0.799 646 L CB -0.364 41.664 42.059 -0.051 0.000 0.925 646 L HN 0.281 nan 8.230 nan 0.000 0.446 647 E N -0.490 119.720 120.200 0.017 0.000 2.077 647 E HA -0.230 4.122 4.350 0.004 0.000 0.193 647 E C 2.062 178.669 176.600 0.012 0.000 0.989 647 E CA 1.406 57.800 56.400 -0.010 0.000 0.800 647 E CB -0.113 29.547 29.700 -0.066 0.000 0.746 647 E HN 0.464 nan 8.360 nan 0.000 0.452 648 Y N 1.291 121.598 120.300 0.012 0.000 2.224 648 Y HA -0.182 4.370 4.550 0.004 0.000 0.289 648 Y C 1.989 177.910 175.900 0.034 0.000 1.146 648 Y CA 1.207 59.333 58.100 0.042 0.000 1.182 648 Y CB 0.014 38.430 38.460 -0.073 0.000 0.983 648 Y HN 0.014 nan 8.280 nan 0.000 0.524 649 D N -0.406 120.089 120.400 0.158 0.000 2.264 649 D HA -0.138 4.505 4.640 0.004 0.000 0.208 649 D C 1.389 177.717 176.300 0.047 0.000 0.966 649 D CA 1.131 55.178 54.000 0.078 0.000 0.864 649 D CB -0.263 40.563 40.800 0.043 0.000 0.933 649 D HN 0.341 nan 8.370 nan 0.000 0.499 650 D N -0.435 119.991 120.400 0.043 0.000 2.277 650 D HA -0.042 4.601 4.640 0.004 0.000 0.208 650 D C 2.158 178.472 176.300 0.023 0.000 0.962 650 D CA 0.130 54.147 54.000 0.028 0.000 0.865 650 D CB 0.251 41.069 40.800 0.029 0.000 0.939 650 D HN 0.037 nan 8.370 nan 0.000 0.510 651 V N 1.201 121.113 119.914 -0.004 0.000 2.270 651 V HA -0.224 3.898 4.120 0.004 0.000 0.245 651 V C 2.537 178.488 176.094 -0.238 0.000 1.043 651 V CA 1.870 64.058 62.300 -0.187 0.000 1.014 651 V CB -0.804 30.869 31.823 -0.250 0.000 0.645 651 V HN 0.178 nan 8.190 nan 0.000 0.447 652 A N 0.353 123.120 122.820 -0.089 0.000 1.908 652 A HA -0.307 4.015 4.320 0.004 0.000 0.218 652 A C 2.064 179.635 177.584 -0.021 0.000 1.181 652 A CA 2.450 54.467 52.037 -0.034 0.000 0.627 652 A CB -0.925 18.083 19.000 0.013 0.000 0.818 652 A HN 0.617 nan 8.150 nan 0.000 0.445 653 N N 0.161 118.849 118.700 -0.020 0.000 2.069 653 N HA -0.162 4.580 4.740 0.004 0.000 0.191 653 N C 1.228 176.703 175.510 -0.058 0.000 1.031 653 N CA 1.895 54.929 53.050 -0.027 0.000 0.852 653 N CB -0.315 38.167 38.487 -0.008 0.000 1.018 653 N HN 0.404 nan 8.380 nan 0.000 0.423 654 D N 0.119 120.493 120.400 -0.044 0.000 2.104 654 D HA -0.146 4.496 4.640 0.004 0.000 0.194 654 D C 1.931 178.130 176.300 -0.169 0.000 0.994 654 D CA 1.070 55.052 54.000 -0.031 0.000 0.830 654 D CB -0.311 40.572 40.800 0.139 0.000 0.959 654 D HN 0.515 nan 8.370 nan 0.000 0.452 655 Q N -0.075 119.532 119.800 -0.322 0.000 2.079 655 Q HA -0.077 4.265 4.340 0.004 0.000 0.200 655 Q C 2.294 178.037 176.000 -0.429 0.000 0.974 655 Q CA 0.712 56.091 55.803 -0.707 0.000 0.840 655 Q CB 0.042 28.363 28.738 -0.696 0.000 0.898 655 Q HN 0.177 nan 8.270 nan 0.000 0.430 656 R N 0.844 121.201 120.500 -0.237 0.000 2.066 656 R HA -0.087 4.256 4.340 0.004 0.000 0.232 656 R C 2.250 178.237 176.300 -0.521 0.000 1.131 656 R CA 0.891 56.676 56.100 -0.525 0.000 0.955 656 R CB 0.028 30.155 30.300 -0.287 0.000 0.851 656 R HN 0.103 nan 8.270 nan 0.000 0.432 657 R N 0.160 120.508 120.500 -0.252 0.000 2.103 657 R HA -0.138 4.205 4.340 0.004 0.000 0.242 657 R C 2.100 178.355 176.300 -0.076 0.000 1.142 657 R CA 1.652 57.683 56.100 -0.114 0.000 0.960 657 R CB -0.464 29.803 30.300 -0.055 0.000 0.858 657 R HN 0.325 nan 8.270 nan 0.000 0.439 658 A N 0.529 123.298 122.820 -0.085 0.000 1.872 658 A HA -0.136 4.186 4.320 0.004 0.000 0.214 658 A C 2.106 179.698 177.584 0.014 0.000 1.187 658 A CA 0.968 53.017 52.037 0.021 0.000 0.614 658 A CB -0.402 18.681 19.000 0.138 0.000 0.826 658 A HN 0.216 nan 8.150 nan 0.000 0.442 659 I N -1.609 118.904 120.570 -0.096 0.000 2.315 659 I HA -0.172 4.000 4.170 0.004 0.000 0.248 659 I C 2.109 178.176 176.117 -0.083 0.000 1.117 659 I CA 1.223 62.413 61.300 -0.184 0.000 1.404 659 I CB -0.378 37.295 38.000 -0.544 0.000 1.071 659 I HN 0.406 nan 8.210 nan 0.000 0.419 660 Y N -0.373 119.750 120.300 -0.296 0.000 2.314 660 Y HA -0.105 4.448 4.550 0.005 0.000 0.293 660 Y C 2.949 178.764 175.900 -0.141 0.000 1.129 660 Y CA 0.997 58.964 58.100 -0.222 0.000 1.201 660 Y CB -1.385 36.978 38.460 -0.161 0.000 0.999 660 Y HN 0.268 nan 8.280 nan 0.000 0.541 661 S N -0.347 115.396 115.700 0.072 0.000 2.382 661 S HA -0.249 4.223 4.470 0.004 0.000 0.228 661 S C 2.082 176.675 174.600 -0.012 0.000 1.027 661 S CA 1.573 59.788 58.200 0.025 0.000 0.991 661 S CB -0.207 63.007 63.200 0.023 0.000 0.823 661 S HN 0.605 nan 8.310 nan 0.000 0.469 662 Q N 0.457 120.245 119.800 -0.020 0.000 2.046 662 Q HA -0.075 4.267 4.340 0.004 0.000 0.200 662 Q C 2.500 178.459 176.000 -0.069 0.000 0.975 662 Q CA 1.224 57.002 55.803 -0.042 0.000 0.836 662 Q CB -0.198 28.514 28.738 -0.043 0.000 0.896 662 Q HN 0.547 nan 8.270 nan 0.000 0.428 663 R N -0.008 120.440 120.500 -0.087 0.000 2.091 663 R HA -0.140 4.203 4.340 0.004 0.000 0.238 663 R C 1.645 177.852 176.300 -0.155 0.000 1.136 663 R CA 1.966 57.979 56.100 -0.144 0.000 0.959 663 R CB -0.121 30.058 30.300 -0.201 0.000 0.856 663 R HN 0.400 nan 8.270 nan 0.000 0.437 664 N N -0.214 118.408 118.700 -0.131 0.000 2.331 664 N HA -0.116 4.626 4.740 0.004 0.000 0.180 664 N C 1.335 176.792 175.510 -0.088 0.000 1.019 664 N CA 0.876 53.852 53.050 -0.123 0.000 0.881 664 N CB 0.136 38.563 38.487 -0.099 0.000 0.972 664 N HN 0.319 nan 8.380 nan 0.000 0.435 665 E N 0.825 120.983 120.200 -0.070 0.000 2.051 665 E HA -0.158 4.194 4.350 0.004 0.000 0.192 665 E C 1.831 178.390 176.600 -0.068 0.000 0.991 665 E CA 0.832 57.197 56.400 -0.059 0.000 0.799 665 E CB -0.072 29.599 29.700 -0.047 0.000 0.748 665 E HN 0.353 nan 8.360 nan 0.000 0.449 666 L N 0.407 121.581 121.223 -0.082 0.000 2.042 666 L HA -0.205 4.137 4.340 0.004 0.000 0.210 666 L C 2.563 179.376 176.870 -0.096 0.000 1.076 666 L CA 0.579 55.366 54.840 -0.089 0.000 0.749 666 L CB -0.400 41.596 42.059 -0.105 0.000 0.893 666 L HN 0.193 nan 8.230 nan 0.000 0.432 667 L N -0.156 120.998 121.223 -0.114 0.000 2.141 667 L HA -0.182 4.160 4.340 0.004 0.000 0.209 667 L C 1.841 178.666 176.870 -0.074 0.000 1.094 667 L CA 1.800 56.573 54.840 -0.111 0.000 0.763 667 L CB -0.602 41.367 42.059 -0.150 0.000 0.908 667 L HN 0.198 nan 8.230 nan 0.000 0.437 668 D N -1.307 119.052 120.400 -0.068 0.000 2.355 668 D HA 0.043 4.685 4.640 0.004 0.000 0.218 668 D C 0.333 176.609 176.300 -0.041 0.000 1.004 668 D CA 0.313 54.284 54.000 -0.049 0.000 0.880 668 D CB 0.346 41.119 40.800 -0.045 0.000 0.911 668 D HN 0.114 nan 8.370 nan 0.000 0.528 669 V N 0.438 120.321 119.914 -0.051 0.000 2.435 669 V HA 0.110 4.232 4.120 0.004 0.000 0.290 669 V C 1.160 177.214 176.094 -0.068 0.000 1.030 669 V CA -0.139 62.130 62.300 -0.051 0.000 0.881 669 V CB 1.911 33.703 31.823 -0.051 0.000 0.983 669 V HN -0.105 nan 8.190 nan 0.000 0.445 670 S N 3.693 119.357 115.700 -0.060 0.000 2.406 670 S HA -0.012 4.460 4.470 0.004 0.000 0.228 670 S C 0.465 174.968 174.600 -0.162 0.000 1.020 670 S CA 0.942 59.085 58.200 -0.096 0.000 0.965 670 S CB -0.047 63.139 63.200 -0.023 0.000 0.798 670 S HN 0.880 nan 8.310 nan 0.000 0.488 671 D N 0.010 120.354 120.400 -0.095 0.000 2.593 671 D HA 0.353 4.996 4.640 0.004 0.000 0.251 671 D C -0.384 175.878 176.300 -0.063 0.000 1.140 671 D CA -0.335 53.618 54.000 -0.078 0.000 0.855 671 D CB 1.828 42.605 40.800 -0.039 0.000 1.267 671 D HN -0.126 nan 8.370 nan 0.000 0.532 672 V N 3.055 122.931 119.914 -0.063 0.000 3.276 672 V HA -0.002 4.121 4.120 0.004 0.000 0.319 672 V C 1.653 177.721 176.094 -0.044 0.000 1.427 672 V CA 0.408 62.675 62.300 -0.055 0.000 1.102 672 V CB 0.249 32.033 31.823 -0.064 0.000 1.020 672 V HN 0.550 nan 8.190 nan 0.000 0.456 673 S N 0.623 116.303 115.700 -0.033 0.000 2.353 673 S HA -0.300 4.172 4.470 0.004 0.000 0.222 673 S C 1.828 176.391 174.600 -0.062 0.000 1.035 673 S CA 1.995 60.172 58.200 -0.038 0.000 1.025 673 S CB -0.206 62.983 63.200 -0.019 0.000 0.902 673 S HN 0.810 nan 8.310 nan 0.000 0.440 674 E N 1.079 121.248 120.200 -0.051 0.000 2.118 674 E HA -0.180 4.172 4.350 0.004 0.000 0.195 674 E C 1.791 178.356 176.600 -0.059 0.000 0.992 674 E CA 1.654 58.022 56.400 -0.054 0.000 0.804 674 E CB -0.316 29.359 29.700 -0.041 0.000 0.741 674 E HN 0.488 nan 8.360 nan 0.000 0.458 675 T N 1.659 116.180 114.554 -0.055 0.000 2.674 675 T HA -0.139 4.213 4.350 0.004 0.000 0.265 675 T C 1.867 176.529 174.700 -0.064 0.000 1.039 675 T CA 1.330 63.398 62.100 -0.053 0.000 1.150 675 T CB -0.141 68.698 68.868 -0.049 0.000 0.864 675 T HN 0.160 nan 8.240 nan 0.000 0.427 676 I N 2.441 122.966 120.570 -0.074 0.000 2.151 676 I HA -0.193 3.979 4.170 0.004 0.000 0.243 676 I C 2.207 178.240 176.117 -0.139 0.000 1.080 676 I CA 1.489 62.728 61.300 -0.102 0.000 1.339 676 I CB -1.288 36.638 38.000 -0.123 0.000 1.039 676 I HN 0.278 nan 8.210 nan 0.000 0.409 677 N N 0.285 118.899 118.700 -0.144 0.000 2.142 677 N HA -0.147 4.596 4.740 0.004 0.000 0.186 677 N C 2.063 177.494 175.510 -0.131 0.000 1.023 677 N CA 1.535 54.485 53.050 -0.167 0.000 0.852 677 N CB -0.424 37.978 38.487 -0.140 0.000 0.998 677 N HN 0.286 nan 8.380 nan 0.000 0.424 678 S N 1.517 117.162 115.700 -0.092 0.000 2.353 678 S HA -0.108 4.365 4.470 0.004 0.000 0.222 678 S C 2.061 176.627 174.600 -0.057 0.000 1.035 678 S CA 1.286 59.446 58.200 -0.067 0.000 1.025 678 S CB -0.313 62.856 63.200 -0.051 0.000 0.902 678 S HN 0.420 nan 8.310 nan 0.000 0.440 679 I N 0.035 120.573 120.570 -0.053 0.000 2.493 679 I HA 0.028 4.200 4.170 0.004 0.000 0.254 679 I C 2.358 178.459 176.117 -0.027 0.000 1.160 679 I CA 1.479 62.763 61.300 -0.027 0.000 1.445 679 I CB -0.379 37.614 38.000 -0.012 0.000 1.086 679 I HN 0.195 nan 8.210 nan 0.000 0.433 680 R N 1.384 121.827 120.500 -0.093 0.000 2.092 680 R HA -0.138 4.204 4.340 0.004 0.000 0.231 680 R C 2.067 178.295 176.300 -0.121 0.000 1.119 680 R CA 1.764 57.774 56.100 -0.149 0.000 0.970 680 R CB -0.203 29.896 30.300 -0.334 0.000 0.864 680 R HN 0.578 nan 8.270 nan 0.000 0.440 681 E N 0.528 120.661 120.200 -0.110 0.000 2.047 681 E HA -0.183 4.169 4.350 0.004 0.000 0.191 681 E C 1.551 178.168 176.600 0.028 0.000 0.987 681 E CA 1.208 57.580 56.400 -0.046 0.000 0.799 681 E CB -0.165 29.503 29.700 -0.053 0.000 0.752 681 E HN 0.368 nan 8.360 nan 0.000 0.449 682 D N 0.973 121.383 120.400 0.017 0.000 2.177 682 D HA -0.188 4.454 4.640 0.004 0.000 0.189 682 D C 2.173 178.521 176.300 0.081 0.000 1.002 682 D CA 1.330 55.352 54.000 0.037 0.000 0.845 682 D CB -0.529 40.288 40.800 0.029 0.000 0.960 682 D HN 0.023 nan 8.370 nan 0.000 0.447 683 V N 0.228 120.215 119.914 0.121 0.000 2.295 683 V HA -0.220 3.902 4.120 0.004 0.000 0.246 683 V C 2.325 178.533 176.094 0.190 0.000 1.049 683 V CA 1.375 63.793 62.300 0.197 0.000 1.024 683 V CB -0.615 31.349 31.823 0.236 0.000 0.648 683 V HN 0.139 nan 8.190 nan 0.000 0.447 684 F N 0.300 120.190 119.950 -0.100 0.000 2.146 684 F HA -0.157 4.373 4.527 0.005 0.000 0.298 684 F C 2.570 178.328 175.800 -0.070 0.000 1.096 684 F CA 1.886 59.802 58.000 -0.139 0.000 1.275 684 F CB -0.155 38.735 39.000 -0.182 0.000 1.008 684 F HN 0.021 nan 8.300 nan 0.000 0.480 685 K N 0.928 121.391 120.400 0.105 0.000 2.009 685 K HA -0.235 4.087 4.320 0.004 0.000 0.210 685 K C 2.166 178.772 176.600 0.009 0.000 1.049 685 K CA 1.618 57.926 56.287 0.036 0.000 0.929 685 K CB -0.434 32.081 32.500 0.026 0.000 0.714 685 K HN 0.238 nan 8.250 nan 0.000 0.440 686 A N 0.611 123.447 122.820 0.026 0.000 1.930 686 A HA -0.093 4.229 4.320 0.004 0.000 0.217 686 A C 2.223 179.809 177.584 0.003 0.000 1.175 686 A CA 2.038 54.080 52.037 0.009 0.000 0.627 686 A CB -0.902 18.113 19.000 0.026 0.000 0.815 686 A HN 0.490 nan 8.150 nan 0.000 0.443 687 T N 0.452 115.026 114.554 0.033 0.000 2.708 687 T HA -0.106 4.246 4.350 0.004 0.000 0.266 687 T C 1.765 176.501 174.700 0.060 0.000 1.037 687 T CA 1.658 63.796 62.100 0.064 0.000 1.146 687 T CB -0.402 68.489 68.868 0.038 0.000 0.865 687 T HN 0.439 nan 8.240 nan 0.000 0.435 688 I N 1.068 121.626 120.570 -0.020 0.000 2.439 688 I HA -0.125 4.048 4.170 0.004 0.000 0.251 688 I C 2.223 178.314 176.117 -0.042 0.000 1.139 688 I CA 0.889 62.175 61.300 -0.023 0.000 1.438 688 I CB -0.390 37.549 38.000 -0.100 0.000 1.085 688 I HN 0.096 nan 8.210 nan 0.000 0.427 689 D N 1.527 121.889 120.400 -0.065 0.000 2.158 689 D HA -0.209 4.434 4.640 0.004 0.000 0.197 689 D C 2.233 178.457 176.300 -0.126 0.000 0.995 689 D CA 1.624 55.570 54.000 -0.089 0.000 0.846 689 D CB -0.185 40.574 40.800 -0.068 0.000 0.941 689 D HN 0.359 nan 8.370 nan 0.000 0.456 690 A N -0.947 121.770 122.820 -0.173 0.000 2.131 690 A HA -0.171 4.151 4.320 0.004 0.000 0.220 690 A C 1.154 178.349 177.584 -0.649 0.000 1.158 690 A CA 1.236 53.020 52.037 -0.420 0.000 0.665 690 A CB -0.432 18.233 19.000 -0.559 0.000 0.795 690 A HN 0.385 nan 8.150 nan 0.000 0.460 691 Y N -2.302 117.945 120.300 -0.088 0.000 2.550 691 Y HA 0.412 4.964 4.550 0.004 0.000 0.275 691 Y C 0.422 176.248 175.900 -0.123 0.000 1.148 691 Y CA -0.710 57.345 58.100 -0.076 0.000 1.200 691 Y CB 0.613 39.032 38.460 -0.069 0.000 1.299 691 Y HN 0.013 nan 8.280 nan 0.000 0.509 692 I N 3.760 124.266 120.570 -0.108 0.000 2.330 692 I HA 0.308 4.481 4.170 0.004 0.000 0.286 692 I C -2.676 173.288 176.117 -0.256 0.000 1.025 692 I CA -2.134 58.914 61.300 -0.419 0.000 1.197 692 I CB 1.222 38.719 38.000 -0.840 0.000 1.358 692 I HN -0.251 nan 8.210 nan 0.000 0.467 693 P HA 0.145 nan 4.420 nan 0.000 0.267 693 P C -2.416 174.857 177.300 -0.045 0.000 1.205 693 P CA -1.118 61.953 63.100 -0.049 0.000 0.765 693 P CB -0.110 31.607 31.700 0.027 0.000 0.828 694 P HA -0.103 nan 4.420 nan 0.000 0.263 694 P C 0.176 177.492 177.300 0.027 0.000 1.175 694 P CA 0.782 63.869 63.100 -0.022 0.000 0.761 694 P CB -0.030 31.660 31.700 -0.018 0.000 0.794 695 Q N -1.653 118.177 119.800 0.050 0.000 2.439 695 Q HA -0.231 4.112 4.340 0.004 0.000 0.247 695 Q C 0.167 176.243 176.000 0.127 0.000 0.899 695 Q CA 0.770 56.622 55.803 0.081 0.000 1.201 695 Q CB -1.971 26.797 28.738 0.050 0.000 1.608 695 Q HN 0.442 nan 8.270 nan 0.000 0.563 696 S N -0.222 115.597 115.700 0.199 0.000 2.601 696 S HA 0.495 4.967 4.470 0.004 0.000 0.271 696 S C 0.033 174.876 174.600 0.406 0.000 1.305 696 S CA -0.729 57.644 58.200 0.289 0.000 1.022 696 S CB 0.605 64.014 63.200 0.348 0.000 0.940 696 S HN 0.221 nan 8.310 nan 0.000 0.525 697 L N 3.016 124.359 121.223 0.200 0.000 2.418 697 L HA 0.374 4.716 4.340 0.004 0.000 0.265 697 L C 1.795 178.432 176.870 -0.388 0.000 1.143 697 L CA 0.287 55.111 54.840 -0.026 0.000 0.809 697 L CB 0.287 42.303 42.059 -0.072 0.000 1.124 697 L HN 0.883 nan 8.230 nan 0.000 0.456 698 E N 0.897 120.561 120.200 -0.893 0.000 2.187 698 E HA -0.287 4.066 4.350 0.004 0.000 0.199 698 E C 1.264 177.316 176.600 -0.913 0.000 1.004 698 E CA 1.931 57.324 56.400 -1.679 0.000 0.813 698 E CB 0.163 29.224 29.700 -1.066 0.000 0.736 698 E HN 0.750 nan 8.360 nan 0.000 0.468 699 E N -0.287 119.646 120.200 -0.444 0.000 2.114 699 E HA -0.205 4.148 4.350 0.004 0.000 0.199 699 E C 1.126 177.684 176.600 -0.070 0.000 1.008 699 E CA 1.330 57.614 56.400 -0.193 0.000 0.810 699 E CB -0.082 29.549 29.700 -0.114 0.000 0.739 699 E HN 0.351 nan 8.360 nan 0.000 0.456 700 M N 0.146 119.761 119.600 0.025 0.000 2.723 700 M HA 0.091 4.573 4.480 0.004 0.000 0.270 700 M C -1.167 175.406 176.300 0.454 0.000 1.282 700 M CA 0.164 55.588 55.300 0.207 0.000 0.995 700 M CB -0.332 32.380 32.600 0.186 0.000 1.430 700 M HN 0.061 nan 8.290 nan 0.000 0.477 701 W N 0.440 121.756 121.300 0.025 0.000 2.478 701 W HA 0.385 5.047 4.660 0.004 0.000 0.318 701 W C -0.076 176.470 176.519 0.046 0.000 1.062 701 W CA -1.569 55.800 57.345 0.039 0.000 1.210 701 W CB 0.475 29.951 29.460 0.027 0.000 1.325 701 W HN 0.104 nan 8.180 nan 0.000 0.496 702 D N 2.602 123.169 120.400 0.278 0.000 2.349 702 D HA 0.364 5.006 4.640 0.004 0.000 0.232 702 D C 0.221 176.587 176.300 0.111 0.000 1.071 702 D CA -0.235 53.888 54.000 0.204 0.000 0.832 702 D CB 1.005 41.960 40.800 0.258 0.000 1.086 702 D HN 0.202 nan 8.370 nan 0.000 0.504 703 I N 4.680 125.271 120.570 0.035 0.000 3.445 703 I HA 0.195 4.368 4.170 0.004 0.000 0.288 703 I C -1.153 174.888 176.117 -0.127 0.000 1.198 703 I CA -0.478 60.775 61.300 -0.078 0.000 1.417 703 I CB -0.808 37.170 38.000 -0.037 0.000 1.205 703 I HN 0.305 nan 8.210 nan 0.000 0.448 704 P HA -0.176 nan 4.420 nan 0.000 0.218 704 P C 1.596 178.847 177.300 -0.081 0.000 1.146 704 P CA 1.892 64.958 63.100 -0.057 0.000 0.820 704 P CB -0.141 31.552 31.700 -0.012 0.000 0.778 705 G N -1.215 107.522 108.800 -0.105 0.000 2.459 705 G HA2 -0.117 3.845 3.960 0.004 0.000 0.213 705 G HA3 -0.117 3.845 3.960 0.004 0.000 0.213 705 G C 1.305 175.723 174.900 -0.803 0.000 1.155 705 G CA 0.092 45.089 45.100 -0.171 0.000 0.811 705 G HN 0.193 nan 8.290 nan 0.000 0.534 706 L N 1.177 121.780 121.223 -1.033 0.000 2.072 706 L HA 0.004 4.347 4.340 0.004 0.000 0.205 706 L C 3.080 179.655 176.870 -0.491 0.000 1.079 706 L CA 2.378 56.574 54.840 -1.073 0.000 0.752 706 L CB -0.784 40.889 42.059 -0.643 0.000 0.906 706 L HN 0.540 nan 8.230 nan 0.000 0.436 707 Q N -1.093 118.512 119.800 -0.325 0.000 2.050 707 Q HA -0.270 4.072 4.340 0.004 0.000 0.202 707 Q C 1.860 177.771 176.000 -0.149 0.000 0.980 707 Q CA 2.068 57.745 55.803 -0.209 0.000 0.840 707 Q CB -0.567 28.071 28.738 -0.167 0.000 0.898 707 Q HN 0.435 nan 8.270 nan 0.000 0.424 708 E N 0.271 120.388 120.200 -0.139 0.000 2.216 708 E HA -0.082 4.270 4.350 0.004 0.000 0.192 708 E C 1.858 178.425 176.600 -0.055 0.000 0.988 708 E CA 0.689 57.043 56.400 -0.076 0.000 0.834 708 E CB 0.052 29.719 29.700 -0.055 0.000 0.772 708 E HN 0.288 nan 8.360 nan 0.000 0.479 709 R N 0.392 120.835 120.500 -0.095 0.000 2.080 709 R HA -0.097 4.245 4.340 0.004 0.000 0.236 709 R C 1.908 178.257 176.300 0.082 0.000 1.137 709 R CA 1.538 57.639 56.100 0.002 0.000 0.943 709 R CB -0.653 29.638 30.300 -0.015 0.000 0.846 709 R HN 0.202 nan 8.270 nan 0.000 0.431 710 L N 0.074 121.321 121.223 0.039 0.000 2.046 710 L HA -0.153 4.190 4.340 0.004 0.000 0.208 710 L C 2.417 179.377 176.870 0.149 0.000 1.077 710 L CA 1.732 56.654 54.840 0.136 0.000 0.747 710 L CB -0.419 41.616 42.059 -0.040 0.000 0.896 710 L HN 0.195 nan 8.230 nan 0.000 0.432 711 K N -0.092 120.337 120.400 0.049 0.000 2.025 711 K HA -0.123 4.199 4.320 0.004 0.000 0.207 711 K C 1.957 178.576 176.600 0.031 0.000 1.049 711 K CA 1.519 57.831 56.287 0.042 0.000 0.933 711 K CB -0.149 32.356 32.500 0.007 0.000 0.714 711 K HN 0.170 nan 8.250 nan 0.000 0.438 712 N N 0.836 119.538 118.700 0.003 0.000 2.106 712 N HA -0.114 4.628 4.740 0.004 0.000 0.188 712 N C 1.053 176.503 175.510 -0.100 0.000 1.029 712 N CA 1.321 54.354 53.050 -0.029 0.000 0.848 712 N CB -0.101 38.373 38.487 -0.022 0.000 1.007 712 N HN 0.124 nan 8.380 nan 0.000 0.423 713 D N -1.380 118.898 120.400 -0.203 0.000 2.333 713 D HA 0.087 4.729 4.640 0.004 0.000 0.208 713 D C 0.118 175.837 176.300 -0.968 0.000 0.984 713 D CA 0.520 54.145 54.000 -0.625 0.000 0.873 713 D CB 0.203 40.492 40.800 -0.852 0.000 0.935 713 D HN 0.264 nan 8.370 nan 0.000 0.521 714 F N -0.089 119.860 119.950 -0.002 0.000 2.880 714 F HA 0.154 4.683 4.527 0.003 0.000 0.328 714 F C -0.031 175.806 175.800 0.061 0.000 1.146 714 F CA -0.702 57.319 58.000 0.034 0.000 1.135 714 F CB 0.385 39.423 39.000 0.064 0.000 1.151 714 F HN -0.349 nan 8.300 nan 0.000 0.523 715 D N 1.762 122.250 120.400 0.146 0.000 2.702 715 D HA -0.199 4.444 4.640 0.004 0.000 0.233 715 D C -0.565 175.821 176.300 0.143 0.000 1.164 715 D CA 0.775 54.845 54.000 0.116 0.000 0.638 715 D CB -0.754 40.104 40.800 0.098 0.000 1.041 715 D HN 0.161 nan 8.370 nan 0.000 0.422 716 L N 1.160 122.481 121.223 0.163 0.000 2.353 716 L HA 0.323 4.665 4.340 0.004 0.000 0.270 716 L C -0.662 176.262 176.870 0.089 0.000 1.003 716 L CA -0.446 54.485 54.840 0.152 0.000 0.862 716 L CB 1.627 43.811 42.059 0.208 0.000 1.221 716 L HN -0.151 nan 8.230 nan 0.000 0.430 717 D N 5.145 125.592 120.400 0.078 0.000 2.477 717 D HA 0.275 4.918 4.640 0.004 0.000 0.239 717 D C -1.276 175.059 176.300 0.058 0.000 1.102 717 D CA -0.288 53.739 54.000 0.044 0.000 0.901 717 D CB 0.696 41.523 40.800 0.047 0.000 1.026 717 D HN 0.199 nan 8.370 nan 0.000 0.515 718 L N 5.877 127.094 121.223 -0.010 0.000 2.356 718 L HA 0.346 4.688 4.340 0.004 0.000 0.264 718 L C -1.949 174.639 176.870 -0.469 0.000 1.029 718 L CA -2.289 52.522 54.840 -0.047 0.000 0.897 718 L CB 1.236 43.292 42.059 -0.006 0.000 1.256 718 L HN 0.153 nan 8.230 nan 0.000 0.444 719 P HA -0.017 nan 4.420 nan 0.000 0.219 719 P C 1.310 178.131 177.300 -0.798 0.000 1.501 719 P CA 0.500 63.395 63.100 -0.341 0.000 1.124 719 P CB 0.088 31.817 31.700 0.048 0.000 1.848 720 I N 0.995 120.980 120.570 -0.975 0.000 2.761 720 I HA -0.171 4.002 4.170 0.004 0.000 0.261 720 I C 2.202 178.030 176.117 -0.481 0.000 1.198 720 I CA 0.751 61.273 61.300 -1.297 0.000 1.482 720 I CB 0.029 37.468 38.000 -0.935 0.000 1.100 720 I HN 0.114 nan 8.210 nan 0.000 0.445 721 A N 0.653 123.336 122.820 -0.229 0.000 1.978 721 A HA -0.273 4.050 4.320 0.004 0.000 0.220 721 A C 2.186 179.808 177.584 0.064 0.000 1.170 721 A CA 2.064 54.077 52.037 -0.040 0.000 0.636 721 A CB -0.662 18.322 19.000 -0.027 0.000 0.810 721 A HN 0.684 nan 8.150 nan 0.000 0.448 722 E N -1.447 118.824 120.200 0.119 0.000 2.481 722 E HA -0.107 4.246 4.350 0.004 0.000 0.195 722 E C 1.568 178.450 176.600 0.469 0.000 1.047 722 E CA -0.135 56.417 56.400 0.254 0.000 0.867 722 E CB -0.306 29.540 29.700 0.244 0.000 0.858 722 E HN 0.874 nan 8.360 nan 0.000 0.513 723 W N 1.171 122.495 121.300 0.039 0.000 2.381 723 W HA -0.055 4.607 4.660 0.003 0.000 0.321 723 W C 2.137 178.682 176.519 0.043 0.000 1.196 723 W CA 0.045 57.414 57.345 0.041 0.000 1.304 723 W CB -0.224 29.267 29.460 0.053 0.000 1.166 723 W HN 0.039 nan 8.180 nan 0.000 0.473 724 L N 0.330 121.743 121.223 0.316 0.000 2.261 724 L HA -0.214 4.128 4.340 0.004 0.000 0.216 724 L C 1.567 178.509 176.870 0.119 0.000 1.114 724 L CA 1.255 56.208 54.840 0.189 0.000 0.777 724 L CB -0.953 41.195 42.059 0.149 0.000 0.910 724 L HN 0.020 nan 8.230 nan 0.000 0.440 725 D N -0.021 120.450 120.400 0.118 0.000 2.123 725 D HA -0.112 4.530 4.640 0.004 0.000 0.200 725 D C 2.302 178.648 176.300 0.077 0.000 0.976 725 D CA 0.909 54.958 54.000 0.081 0.000 0.831 725 D CB 0.175 41.020 40.800 0.076 0.000 0.974 725 D HN 0.065 nan 8.370 nan 0.000 0.469 726 K N 0.530 120.991 120.400 0.101 0.000 2.116 726 K HA 0.005 4.328 4.320 0.004 0.000 0.203 726 K C 0.305 176.937 176.600 0.053 0.000 1.052 726 K CA 0.600 56.929 56.287 0.069 0.000 0.952 726 K CB 0.136 32.675 32.500 0.065 0.000 0.729 726 K HN 0.426 nan 8.250 nan 0.000 0.446 727 E N 1.482 121.729 120.200 0.078 0.000 2.207 727 E HA 0.228 4.580 4.350 0.004 0.000 0.250 727 E C -2.684 173.960 176.600 0.073 0.000 0.890 727 E CA -2.193 54.241 56.400 0.057 0.000 0.749 727 E CB 1.497 31.223 29.700 0.043 0.000 1.193 727 E HN -0.148 nan 8.360 nan 0.000 0.423 728 P HA 0.030 nan 4.420 nan 0.000 0.243 728 P C 0.114 177.466 177.300 0.087 0.000 1.668 728 P CA 0.335 63.479 63.100 0.074 0.000 0.898 728 P CB -0.105 31.626 31.700 0.053 0.000 1.637 729 E N -0.428 119.770 120.200 -0.003 0.000 2.633 729 E HA -0.003 4.349 4.350 0.004 0.000 0.214 729 E C 1.566 177.873 176.600 -0.488 0.000 0.898 729 E CA -0.020 56.259 56.400 -0.202 0.000 1.422 729 E CB -0.758 28.882 29.700 -0.101 0.000 1.398 729 E HN 0.191 nan 8.360 nan 0.000 0.752 730 L N 0.553 121.653 121.223 -0.205 0.000 1.970 730 L HA 0.067 4.409 4.340 0.004 0.000 0.212 730 L C 0.253 177.056 176.870 -0.111 0.000 1.071 730 L CA 1.746 56.516 54.840 -0.115 0.000 0.751 730 L CB -1.635 40.467 42.059 0.072 0.000 0.889 730 L HN 0.177 nan 8.230 nan 0.000 0.432 731 H N -1.494 117.665 119.070 0.150 0.000 4.747 731 H HA -0.164 4.395 4.556 0.004 0.000 0.260 731 H C 0.780 176.248 175.328 0.233 0.000 0.537 731 H CA 0.308 56.471 56.048 0.192 0.000 0.689 731 H CB -0.503 29.338 29.762 0.131 0.000 0.913 731 H HN 0.407 nan 8.280 nan 0.000 0.306 732 E N 0.704 121.177 120.200 0.455 0.000 2.171 732 E HA -0.296 4.056 4.350 0.004 0.000 0.197 732 E C 1.835 178.498 176.600 0.105 0.000 0.997 732 E CA 1.907 58.468 56.400 0.268 0.000 0.810 732 E CB 0.070 29.895 29.700 0.209 0.000 0.738 732 E HN 0.447 nan 8.360 nan 0.000 0.467 733 E N -0.189 120.087 120.200 0.128 0.000 2.076 733 E HA -0.101 4.251 4.350 0.004 0.000 0.190 733 E C 2.016 178.661 176.600 0.075 0.000 0.979 733 E CA 1.907 58.353 56.400 0.076 0.000 0.807 733 E CB -0.442 29.304 29.700 0.075 0.000 0.761 733 E HN 0.320 nan 8.360 nan 0.000 0.454 734 T N -0.921 113.691 114.554 0.097 0.000 2.995 734 T HA -0.095 4.257 4.350 0.004 0.000 0.269 734 T C 1.836 176.598 174.700 0.104 0.000 1.091 734 T CA 0.993 63.141 62.100 0.081 0.000 1.128 734 T CB -0.273 68.631 68.868 0.060 0.000 0.891 734 T HN 0.155 nan 8.240 nan 0.000 0.492 735 L N 1.089 122.390 121.223 0.130 0.000 2.027 735 L HA 0.184 4.526 4.340 0.004 0.000 0.206 735 L C 2.713 179.636 176.870 0.088 0.000 1.074 735 L CA 1.533 56.457 54.840 0.140 0.000 0.745 735 L CB -0.666 41.480 42.059 0.144 0.000 0.898 735 L HN 0.113 nan 8.230 nan 0.000 0.433 736 R N -0.243 120.284 120.500 0.044 0.000 2.070 736 R HA -0.177 4.165 4.340 0.004 0.000 0.233 736 R C 2.160 178.497 176.300 0.061 0.000 1.137 736 R CA 1.873 57.993 56.100 0.033 0.000 0.945 736 R CB -0.481 29.823 30.300 0.006 0.000 0.845 736 R HN 0.489 nan 8.270 nan 0.000 0.430 737 E N 0.142 120.373 120.200 0.052 0.000 2.086 737 E HA -0.284 4.068 4.350 0.004 0.000 0.205 737 E C 2.126 178.760 176.600 0.057 0.000 1.027 737 E CA 1.807 58.233 56.400 0.043 0.000 0.830 737 E CB -0.093 29.630 29.700 0.038 0.000 0.751 737 E HN 0.290 nan 8.360 nan 0.000 0.456 738 R N 0.080 120.634 120.500 0.090 0.000 2.075 738 R HA -0.071 4.271 4.340 0.004 0.000 0.232 738 R C 2.468 178.853 176.300 0.142 0.000 1.126 738 R CA 1.141 57.312 56.100 0.119 0.000 0.963 738 R CB -0.305 30.103 30.300 0.180 0.000 0.858 738 R HN 0.196 nan 8.270 nan 0.000 0.435 739 I N 0.675 121.339 120.570 0.156 0.000 2.163 739 I HA -0.294 3.878 4.170 0.004 0.000 0.243 739 I C 2.298 178.540 176.117 0.207 0.000 1.085 739 I CA 0.959 62.373 61.300 0.189 0.000 1.347 739 I CB -0.274 37.816 38.000 0.151 0.000 1.044 739 I HN 0.124 nan 8.210 nan 0.000 0.408 740 L N 1.154 122.448 121.223 0.119 0.000 2.042 740 L HA -0.195 4.147 4.340 0.004 0.000 0.210 740 L C 2.570 179.367 176.870 -0.121 0.000 1.076 740 L CA 2.142 56.912 54.840 -0.116 0.000 0.749 740 L CB -0.727 41.265 42.059 -0.112 0.000 0.893 740 L HN 0.215 nan 8.230 nan 0.000 0.432 741 A N -1.275 121.531 122.820 -0.023 0.000 1.940 741 A HA -0.230 4.092 4.320 0.004 0.000 0.219 741 A C 2.157 179.743 177.584 0.004 0.000 1.176 741 A CA 1.762 53.791 52.037 -0.013 0.000 0.631 741 A CB -0.470 18.540 19.000 0.018 0.000 0.814 741 A HN 0.651 nan 8.150 nan 0.000 0.446 742 Q N 0.127 119.954 119.800 0.045 0.000 2.049 742 Q HA -0.111 4.231 4.340 0.004 0.000 0.198 742 Q C 2.542 178.578 176.000 0.060 0.000 0.971 742 Q CA 1.789 57.638 55.803 0.077 0.000 0.833 742 Q CB -0.568 28.256 28.738 0.142 0.000 0.896 742 Q HN 0.813 nan 8.270 nan 0.000 0.434 743 S N 1.715 117.428 115.700 0.022 0.000 2.356 743 S HA -0.116 4.356 4.470 0.004 0.000 0.223 743 S C 2.160 176.759 174.600 -0.001 0.000 1.032 743 S CA 0.979 59.180 58.200 0.001 0.000 1.005 743 S CB -0.655 62.443 63.200 -0.170 0.000 0.867 743 S HN 0.244 nan 8.310 nan 0.000 0.449 744 I N 3.124 123.645 120.570 -0.083 0.000 2.145 744 I HA -0.311 3.862 4.170 0.004 0.000 0.244 744 I C 3.000 179.158 176.117 0.069 0.000 1.075 744 I CA 2.258 63.538 61.300 -0.034 0.000 1.332 744 I CB -1.051 36.901 38.000 -0.082 0.000 1.033 744 I HN 0.602 nan 8.210 nan 0.000 0.410 745 E N 1.936 122.165 120.200 0.048 0.000 2.021 745 E HA -0.224 4.128 4.350 0.004 0.000 0.200 745 E C 2.225 178.871 176.600 0.076 0.000 1.015 745 E CA 2.313 58.747 56.400 0.056 0.000 0.824 745 E CB -0.475 29.252 29.700 0.045 0.000 0.762 745 E HN 0.254 nan 8.360 nan 0.000 0.454 746 V N 0.262 120.229 119.914 0.088 0.000 2.453 746 V HA -0.267 3.855 4.120 0.004 0.000 0.252 746 V C 2.252 178.398 176.094 0.088 0.000 1.068 746 V CA 2.180 64.530 62.300 0.084 0.000 1.070 746 V CB -0.862 31.022 31.823 0.102 0.000 0.664 746 V HN 0.388 nan 8.190 nan 0.000 0.461 747 Y N 0.725 121.030 120.300 0.008 0.000 2.153 747 Y HA -0.221 4.331 4.550 0.003 0.000 0.289 747 Y C 2.733 178.636 175.900 0.005 0.000 1.127 747 Y CA 1.932 60.037 58.100 0.009 0.000 1.131 747 Y CB -0.190 38.266 38.460 -0.006 0.000 0.995 747 Y HN 0.242 nan 8.280 nan 0.000 0.505 748 Q N -0.056 119.855 119.800 0.185 0.000 2.181 748 Q HA -0.251 4.091 4.340 0.004 0.000 0.205 748 Q C 2.363 178.365 176.000 0.003 0.000 0.980 748 Q CA 1.697 57.559 55.803 0.098 0.000 0.862 748 Q CB -0.276 28.516 28.738 0.091 0.000 0.905 748 Q HN 0.476 nan 8.270 nan 0.000 0.429 749 R N 1.298 121.795 120.500 -0.006 0.000 2.062 749 R HA -0.154 4.188 4.340 0.004 0.000 0.231 749 R C 1.682 177.942 176.300 -0.068 0.000 1.136 749 R CA 1.522 57.607 56.100 -0.025 0.000 0.948 749 R CB -0.040 30.257 30.300 -0.005 0.000 0.845 749 R HN -0.051 nan 8.270 nan 0.000 0.430 750 K N 0.921 121.251 120.400 -0.116 0.000 2.113 750 K HA -0.196 4.127 4.320 0.004 0.000 0.208 750 K C 2.009 178.497 176.600 -0.187 0.000 1.047 750 K CA 2.058 58.241 56.287 -0.174 0.000 0.928 750 K CB -0.143 32.203 32.500 -0.257 0.000 0.716 750 K HN 0.451 nan 8.250 nan 0.000 0.446 751 E N 0.645 120.727 120.200 -0.197 0.000 2.152 751 E HA -0.210 4.143 4.350 0.004 0.000 0.192 751 E C 1.776 178.337 176.600 -0.065 0.000 0.983 751 E CA 1.070 57.391 56.400 -0.132 0.000 0.818 751 E CB 0.036 29.682 29.700 -0.090 0.000 0.758 751 E HN 0.481 nan 8.360 nan 0.000 0.467 752 E N 0.201 120.372 120.200 -0.050 0.000 2.150 752 E HA -0.135 4.217 4.350 0.004 0.000 0.193 752 E C 1.936 178.513 176.600 -0.039 0.000 0.985 752 E CA 1.245 57.627 56.400 -0.031 0.000 0.814 752 E CB -0.002 29.686 29.700 -0.020 0.000 0.752 752 E HN 0.169 nan 8.360 nan 0.000 0.466 753 V N 0.810 120.691 119.914 -0.056 0.000 2.453 753 V HA -0.146 3.977 4.120 0.004 0.000 0.247 753 V C 2.196 178.252 176.094 -0.064 0.000 1.048 753 V CA 1.186 63.451 62.300 -0.058 0.000 1.049 753 V CB 0.321 32.102 31.823 -0.070 0.000 0.672 753 V HN 0.231 nan 8.190 nan 0.000 0.457 754 V N -1.023 118.844 119.914 -0.078 0.000 2.949 754 V HA 0.522 4.645 4.120 0.004 0.000 0.245 754 V C 0.929 176.994 176.094 -0.049 0.000 1.086 754 V CA 1.179 63.429 62.300 -0.083 0.000 1.097 754 V CB 0.326 32.068 31.823 -0.134 0.000 0.762 754 V HN 0.743 nan 8.190 nan 0.000 0.470 755 G N -0.996 107.784 108.800 -0.032 0.000 2.906 755 G HA2 0.197 4.159 3.960 0.004 0.000 0.686 755 G HA3 0.197 4.159 3.960 0.004 0.000 0.686 755 G C 0.360 175.269 174.900 0.016 0.000 1.170 755 G CA -0.245 44.851 45.100 -0.006 0.000 0.775 755 G HN 0.595 nan 8.290 nan 0.000 0.630 756 A N 1.465 124.304 122.820 0.032 0.000 1.842 756 A HA -0.052 4.271 4.320 0.004 0.000 0.217 756 A C 2.213 179.854 177.584 0.095 0.000 1.206 756 A CA 2.398 54.470 52.037 0.059 0.000 0.630 756 A CB -0.643 18.389 19.000 0.053 0.000 0.839 756 A HN 0.972 nan 8.150 nan 0.000 0.447 757 E N -1.416 118.845 120.200 0.101 0.000 2.149 757 E HA -0.324 4.028 4.350 0.004 0.000 0.215 757 E C 1.952 178.688 176.600 0.226 0.000 1.055 757 E CA 2.083 58.585 56.400 0.169 0.000 0.870 757 E CB -0.440 29.312 29.700 0.086 0.000 0.764 757 E HN 0.539 nan 8.360 nan 0.000 0.463 758 M N -0.144 119.527 119.600 0.118 0.000 2.175 758 M HA -0.104 4.379 4.480 0.004 0.000 0.264 758 M C 2.191 178.594 176.300 0.172 0.000 1.063 758 M CA 1.302 56.665 55.300 0.106 0.000 1.119 758 M CB -0.337 32.277 32.600 0.025 0.000 1.377 758 M HN 0.093 nan 8.290 nan 0.000 0.415 759 M N -0.352 119.329 119.600 0.134 0.000 2.099 759 M HA -0.127 4.355 4.480 0.004 0.000 0.262 759 M C 1.897 178.338 176.300 0.235 0.000 1.067 759 M CA 1.669 57.067 55.300 0.164 0.000 1.124 759 M CB -0.301 32.349 32.600 0.084 0.000 1.353 759 M HN 0.078 nan 8.290 nan 0.000 0.410 760 R N -0.667 119.940 120.500 0.179 0.000 2.105 760 R HA -0.136 4.206 4.340 0.004 0.000 0.239 760 R C 2.225 178.547 176.300 0.036 0.000 1.135 760 R CA 1.635 57.788 56.100 0.089 0.000 0.967 760 R CB -1.442 28.871 30.300 0.022 0.000 0.861 760 R HN 0.629 nan 8.270 nan 0.000 0.442 761 H N -1.128 118.016 119.070 0.122 0.000 2.436 761 H HA -0.037 4.520 4.556 0.002 0.000 0.294 761 H C 1.873 177.296 175.328 0.158 0.000 1.048 761 H CA 0.798 56.916 56.048 0.117 0.000 1.353 761 H CB -0.168 29.652 29.762 0.098 0.000 1.414 761 H HN 0.086 nan 8.280 nan 0.000 0.536 762 F N 2.503 122.542 119.950 0.148 0.000 2.102 762 F HA -0.165 4.363 4.527 0.003 0.000 0.298 762 F C 2.193 178.051 175.800 0.098 0.000 1.105 762 F CA 1.450 59.511 58.000 0.102 0.000 1.239 762 F CB -0.112 38.928 39.000 0.068 0.000 0.991 762 F HN 0.045 nan 8.300 nan 0.000 0.474 763 E N 0.005 120.258 120.200 0.089 0.000 2.110 763 E HA -0.267 4.085 4.350 0.004 0.000 0.193 763 E C 2.176 178.727 176.600 -0.082 0.000 0.988 763 E CA 1.437 57.828 56.400 -0.015 0.000 0.804 763 E CB -0.237 29.521 29.700 0.096 0.000 0.745 763 E HN 0.408 nan 8.360 nan 0.000 0.458 764 K N 0.474 120.847 120.400 -0.044 0.000 2.025 764 K HA -0.109 4.214 4.320 0.004 0.000 0.207 764 K C 2.238 178.826 176.600 -0.020 0.000 1.049 764 K CA 1.440 57.699 56.287 -0.048 0.000 0.933 764 K CB -0.273 32.187 32.500 -0.066 0.000 0.714 764 K HN 0.150 nan 8.250 nan 0.000 0.438 765 G N 0.386 109.201 108.800 0.026 0.000 2.422 765 G HA2 -0.193 3.769 3.960 0.004 0.000 0.218 765 G HA3 -0.193 3.769 3.960 0.004 0.000 0.218 765 G C 1.461 176.380 174.900 0.033 0.000 1.146 765 G CA 0.831 46.009 45.100 0.130 0.000 0.769 765 G HN 0.213 nan 8.290 nan 0.000 0.547 766 V N 0.891 120.679 119.914 -0.211 0.000 2.427 766 V HA -0.168 3.954 4.120 0.004 0.000 0.248 766 V C 2.875 178.922 176.094 -0.079 0.000 1.051 766 V CA 1.857 64.021 62.300 -0.226 0.000 1.048 766 V CB -0.301 31.253 31.823 -0.449 0.000 0.666 766 V HN 0.386 nan 8.190 nan 0.000 0.456 767 M N -1.010 118.549 119.600 -0.069 0.000 2.132 767 M HA -0.124 4.359 4.480 0.004 0.000 0.263 767 M C 2.185 178.463 176.300 -0.036 0.000 1.065 767 M CA 1.866 57.138 55.300 -0.046 0.000 1.122 767 M CB -0.392 32.174 32.600 -0.056 0.000 1.365 767 M HN 0.270 nan 8.290 nan 0.000 0.411 768 L N -0.354 120.840 121.223 -0.050 0.000 2.027 768 L HA -0.234 4.108 4.340 0.004 0.000 0.206 768 L C 2.630 179.495 176.870 -0.007 0.000 1.074 768 L CA 1.437 56.192 54.840 -0.142 0.000 0.745 768 L CB -0.695 41.121 42.059 -0.404 0.000 0.898 768 L HN 0.388 nan 8.230 nan 0.000 0.433 769 Q N -0.389 119.540 119.800 0.216 0.000 2.084 769 Q HA -0.200 4.143 4.340 0.004 0.000 0.202 769 Q C 2.090 178.175 176.000 0.141 0.000 0.978 769 Q CA 2.316 58.283 55.803 0.273 0.000 0.844 769 Q CB 0.016 28.882 28.738 0.214 0.000 0.898 769 Q HN 0.472 nan 8.270 nan 0.000 0.426 770 T N 1.533 116.136 114.554 0.083 0.000 2.708 770 T HA -0.180 4.173 4.350 0.004 0.000 0.266 770 T C 1.753 176.506 174.700 0.088 0.000 1.037 770 T CA 1.271 63.415 62.100 0.073 0.000 1.146 770 T CB -0.347 68.548 68.868 0.046 0.000 0.865 770 T HN 0.323 nan 8.240 nan 0.000 0.435 771 L N 0.817 122.079 121.223 0.064 0.000 2.083 771 L HA -0.154 4.188 4.340 0.004 0.000 0.209 771 L C 2.047 179.014 176.870 0.162 0.000 1.083 771 L CA 1.719 56.603 54.840 0.074 0.000 0.752 771 L CB -0.317 41.743 42.059 0.001 0.000 0.899 771 L HN 0.105 nan 8.230 nan 0.000 0.433 772 D N -0.733 119.755 120.400 0.147 0.000 2.123 772 D HA -0.125 4.518 4.640 0.004 0.000 0.200 772 D C 2.388 178.831 176.300 0.238 0.000 0.976 772 D CA 1.423 55.557 54.000 0.222 0.000 0.831 772 D CB -0.004 40.905 40.800 0.182 0.000 0.974 772 D HN 0.297 nan 8.370 nan 0.000 0.469 773 S N 0.485 116.293 115.700 0.179 0.000 2.370 773 S HA -0.091 4.381 4.470 0.004 0.000 0.226 773 S C 2.188 176.881 174.600 0.155 0.000 1.033 773 S CA 0.626 58.914 58.200 0.147 0.000 1.011 773 S CB -0.239 63.031 63.200 0.115 0.000 0.852 773 S HN 0.234 nan 8.310 nan 0.000 0.457 774 L N 0.056 121.386 121.223 0.178 0.000 2.109 774 L HA -0.054 4.288 4.340 0.004 0.000 0.207 774 L C 2.365 179.391 176.870 0.259 0.000 1.086 774 L CA 1.035 55.983 54.840 0.180 0.000 0.760 774 L CB -0.334 41.815 42.059 0.150 0.000 0.910 774 L HN 0.548 nan 8.230 nan 0.000 0.437 775 W N 1.539 122.902 121.300 0.105 0.000 2.379 775 W HA -0.212 4.451 4.660 0.005 0.000 0.307 775 W C 2.240 178.852 176.519 0.155 0.000 1.200 775 W CA 1.275 58.708 57.345 0.146 0.000 1.297 775 W CB 0.060 29.606 29.460 0.144 0.000 1.140 775 W HN 0.064 nan 8.180 nan 0.000 0.507 776 K N 0.346 120.759 120.400 0.022 0.000 2.057 776 K HA -0.247 4.075 4.320 0.004 0.000 0.207 776 K C 1.999 178.517 176.600 -0.136 0.000 1.049 776 K CA 1.785 58.004 56.287 -0.113 0.000 0.931 776 K CB -0.515 31.997 32.500 0.020 0.000 0.714 776 K HN 0.190 nan 8.250 nan 0.000 0.440 777 E N 0.131 120.312 120.200 -0.032 0.000 2.085 777 E HA -0.264 4.089 4.350 0.004 0.000 0.194 777 E C 2.017 178.569 176.600 -0.079 0.000 0.994 777 E CA 1.359 57.743 56.400 -0.026 0.000 0.801 777 E CB -0.006 29.723 29.700 0.048 0.000 0.743 777 E HN 0.340 nan 8.360 nan 0.000 0.453 778 H N -0.087 118.885 119.070 -0.162 0.000 2.321 778 H HA -0.127 4.432 4.556 0.004 0.000 0.300 778 H C 1.911 177.024 175.328 -0.357 0.000 1.087 778 H CA 1.579 57.506 56.048 -0.201 0.000 1.319 778 H CB -0.184 29.496 29.762 -0.136 0.000 1.379 778 H HN 0.104 nan 8.280 nan 0.000 0.501 779 L N 0.690 121.533 121.223 -0.633 0.000 2.051 779 L HA -0.203 4.139 4.340 0.004 0.000 0.214 779 L C 2.720 179.306 176.870 -0.473 0.000 1.076 779 L CA 2.008 56.487 54.840 -0.603 0.000 0.758 779 L CB -1.719 39.991 42.059 -0.582 0.000 0.890 779 L HN 0.535 nan 8.230 nan 0.000 0.433 780 A N -0.997 121.572 122.820 -0.418 0.000 1.873 780 A HA -0.095 4.227 4.320 0.004 0.000 0.215 780 A C 2.481 179.725 177.584 -0.567 0.000 1.186 780 A CA 1.803 53.529 52.037 -0.519 0.000 0.616 780 A CB -0.880 17.889 19.000 -0.385 0.000 0.823 780 A HN 0.399 nan 8.150 nan 0.000 0.442 781 A N -1.120 121.506 122.820 -0.324 0.000 1.933 781 A HA -0.127 4.195 4.320 0.004 0.000 0.218 781 A C 2.132 179.610 177.584 -0.176 0.000 1.175 781 A CA 2.042 53.986 52.037 -0.156 0.000 0.628 781 A CB -0.459 18.488 19.000 -0.088 0.000 0.814 781 A HN 0.415 nan 8.150 nan 0.000 0.444 782 M N -0.110 119.299 119.600 -0.320 0.000 2.175 782 M HA -0.089 4.393 4.480 0.004 0.000 0.264 782 M C 1.843 178.064 176.300 -0.133 0.000 1.063 782 M CA 1.420 56.602 55.300 -0.197 0.000 1.119 782 M CB -1.330 31.087 32.600 -0.306 0.000 1.377 782 M HN 0.613 nan 8.290 nan 0.000 0.415 783 D N -0.386 119.846 120.400 -0.281 0.000 2.117 783 D HA -0.212 4.430 4.640 0.004 0.000 0.197 783 D C 1.699 177.893 176.300 -0.176 0.000 0.987 783 D CA 1.341 55.170 54.000 -0.285 0.000 0.829 783 D CB 0.067 40.620 40.800 -0.412 0.000 0.961 783 D HN 0.278 nan 8.370 nan 0.000 0.460 784 Y N 1.016 121.221 120.300 -0.159 0.000 2.242 784 Y HA -0.012 4.541 4.550 0.004 0.000 0.291 784 Y C 2.509 178.359 175.900 -0.083 0.000 1.137 784 Y CA 0.143 58.164 58.100 -0.131 0.000 1.181 784 Y CB -0.772 37.588 38.460 -0.166 0.000 0.989 784 Y HN 0.028 nan 8.280 nan 0.000 0.527 785 L N -0.552 120.734 121.223 0.104 0.000 2.056 785 L HA -0.241 4.101 4.340 0.004 0.000 0.207 785 L C 2.638 179.499 176.870 -0.016 0.000 1.078 785 L CA 1.443 56.343 54.840 0.100 0.000 0.749 785 L CB -0.322 41.860 42.059 0.206 0.000 0.901 785 L HN 0.140 nan 8.230 nan 0.000 0.433 786 R N -0.344 120.071 120.500 -0.141 0.000 2.096 786 R HA -0.204 4.139 4.340 0.004 0.000 0.235 786 R C 2.386 178.398 176.300 -0.480 0.000 1.127 786 R CA 1.744 57.580 56.100 -0.441 0.000 0.968 786 R CB 0.013 30.018 30.300 -0.492 0.000 0.861 786 R HN 0.577 nan 8.270 nan 0.000 0.440 787 Q N -1.693 117.935 119.800 -0.286 0.000 2.250 787 Q HA 0.014 4.357 4.340 0.004 0.000 0.200 787 Q C 1.856 177.771 176.000 -0.142 0.000 0.941 787 Q CA 1.215 56.866 55.803 -0.253 0.000 0.872 787 Q CB -0.146 28.610 28.738 0.030 0.000 0.965 787 Q HN 0.292 nan 8.270 nan 0.000 0.480 788 G N 1.497 110.258 108.800 -0.064 0.000 2.501 788 G HA2 -0.148 3.814 3.960 0.004 0.000 0.220 788 G HA3 -0.148 3.814 3.960 0.004 0.000 0.220 788 G C 0.756 175.613 174.900 -0.072 0.000 1.114 788 G CA 0.275 45.353 45.100 -0.037 0.000 0.757 788 G HN 0.285 nan 8.290 nan 0.000 0.559 789 I N 0.798 121.269 120.570 -0.165 0.000 2.664 789 I HA 0.283 4.455 4.170 0.004 0.000 0.291 789 I C 0.823 176.742 176.117 -0.331 0.000 1.120 789 I CA -0.346 60.844 61.300 -0.184 0.000 1.503 789 I CB -0.491 37.423 38.000 -0.143 0.000 1.506 789 I HN 0.188 nan 8.210 nan 0.000 0.621 790 H N 0.653 119.687 119.070 -0.060 0.000 2.916 790 H HA 0.431 4.989 4.556 0.004 0.000 0.229 790 H C -0.365 174.931 175.328 -0.054 0.000 0.917 790 H CA -0.049 55.961 56.048 -0.063 0.000 1.048 790 H CB 0.968 30.687 29.762 -0.071 0.000 1.417 790 H HN 0.047 nan 8.280 nan 0.000 0.445 791 L N 0.879 122.132 121.223 0.050 0.000 2.563 791 L HA 0.337 4.679 4.340 0.004 0.000 0.259 791 L C 0.474 177.301 176.870 -0.072 0.000 1.034 791 L CA 0.151 54.977 54.840 -0.024 0.000 0.899 791 L CB 1.829 43.867 42.059 -0.034 0.000 1.159 791 L HN 0.028 nan 8.230 nan 0.000 0.456 792 R N 1.069 121.518 120.500 -0.085 0.000 2.350 792 R HA 0.567 4.909 4.340 0.004 0.000 0.199 792 R C 0.363 176.569 176.300 -0.157 0.000 0.876 792 R CA 0.567 56.600 56.100 -0.112 0.000 1.062 792 R CB 1.192 31.458 30.300 -0.057 0.000 1.263 792 R HN 0.560 nan 8.270 nan 0.000 0.641 793 G N 0.335 109.030 108.800 -0.175 0.000 3.532 793 G HA2 0.279 4.241 3.960 0.004 0.000 0.272 793 G HA3 0.279 4.241 3.960 0.004 0.000 0.272 793 G C -1.441 173.315 174.900 -0.240 0.000 3.843 793 G CA -0.587 44.279 45.100 -0.392 0.000 0.482 793 G HN 0.176 nan 8.290 nan 0.000 0.274 794 Y N -1.991 118.322 120.300 0.021 0.000 2.518 794 Y HA -0.164 4.388 4.550 0.004 0.000 0.022 794 Y C 1.418 177.338 175.900 0.032 0.000 1.713 794 Y CA 0.146 58.261 58.100 0.024 0.000 1.411 794 Y CB -0.963 37.510 38.460 0.023 0.000 2.057 794 Y HN 1.099 nan 8.280 nan 0.000 0.256 795 A N 1.087 124.018 122.820 0.185 0.000 2.208 795 A HA -0.075 4.247 4.320 0.004 0.000 0.209 795 A C 1.861 179.518 177.584 0.121 0.000 1.161 795 A CA 1.048 53.163 52.037 0.131 0.000 0.782 795 A CB -0.164 18.894 19.000 0.098 0.000 0.816 795 A HN 0.770 nan 8.150 nan 0.000 0.477 796 Q N 1.064 120.949 119.800 0.141 0.000 1.708 796 Q HA -0.180 4.162 4.340 0.004 0.000 0.378 796 Q C -0.142 175.898 176.000 0.066 0.000 1.010 796 Q CA 1.398 57.241 55.803 0.067 0.000 0.892 796 Q CB -0.392 28.331 28.738 -0.024 0.000 0.954 796 Q HN 0.445 nan 8.270 nan 0.000 0.405 797 K N 2.874 123.320 120.400 0.077 0.000 2.320 797 K HA -0.071 4.251 4.320 0.004 0.000 0.273 797 K C -0.610 176.045 176.600 0.091 0.000 1.146 797 K CA 0.177 56.510 56.287 0.076 0.000 1.144 797 K CB -0.164 32.398 32.500 0.103 0.000 0.878 797 K HN 0.205 nan 8.250 nan 0.000 0.458 798 D N 4.894 125.333 120.400 0.065 0.000 2.554 798 D HA -0.065 4.577 4.640 0.004 0.000 0.251 798 D C -1.328 175.022 176.300 0.084 0.000 1.213 798 D CA -1.667 52.373 54.000 0.066 0.000 0.900 798 D CB 0.860 41.685 40.800 0.042 0.000 1.135 798 D HN 0.296 nan 8.370 nan 0.000 0.522 799 P HA -0.162 nan 4.420 nan 0.000 0.215 799 P C 0.342 177.739 177.300 0.160 0.000 1.157 799 P CA 0.783 63.963 63.100 0.132 0.000 0.863 799 P CB 0.145 31.924 31.700 0.131 0.000 0.787 800 K N 0.062 120.542 120.400 0.134 0.000 2.368 800 K HA -0.005 4.317 4.320 0.004 0.000 0.282 800 K C 0.515 177.105 176.600 -0.017 0.000 1.035 800 K CA 0.184 56.446 56.287 -0.041 0.000 0.973 800 K CB 0.299 32.703 32.500 -0.160 0.000 0.957 800 K HN -0.067 nan 8.250 nan 0.000 0.474 801 Q N 1.030 120.816 119.800 -0.024 0.000 7.807 801 Q HA -0.219 4.123 4.340 0.004 0.000 0.363 801 Q C 1.153 177.177 176.000 0.040 0.000 1.090 801 Q CA 1.730 57.536 55.803 0.005 0.000 0.531 801 Q CB -1.318 27.426 28.738 0.010 0.000 0.158 801 Q HN 0.772 nan 8.270 nan 0.000 0.884 802 E N 0.645 120.887 120.200 0.071 0.000 2.077 802 E HA -0.120 4.233 4.350 0.004 0.000 0.193 802 E C 1.857 178.515 176.600 0.097 0.000 0.989 802 E CA 1.953 58.402 56.400 0.083 0.000 0.800 802 E CB -0.369 29.390 29.700 0.099 0.000 0.746 802 E HN 0.515 nan 8.360 nan 0.000 0.452 803 Y N 0.890 121.207 120.300 0.028 0.000 2.181 803 Y HA -0.149 4.403 4.550 0.004 0.000 0.288 803 Y C 1.758 177.659 175.900 0.002 0.000 1.146 803 Y CA 1.991 60.110 58.100 0.032 0.000 1.164 803 Y CB -0.030 38.487 38.460 0.094 0.000 0.982 803 Y HN -0.076 nan 8.280 nan 0.000 0.515 804 K N 0.157 120.440 120.400 -0.195 0.000 2.097 804 K HA -0.147 4.175 4.320 0.004 0.000 0.206 804 K C 2.213 178.783 176.600 -0.050 0.000 1.049 804 K CA 1.703 57.850 56.287 -0.233 0.000 0.933 804 K CB -0.165 32.332 32.500 -0.004 0.000 0.717 804 K HN 0.336 nan 8.250 nan 0.000 0.442 805 R N 1.035 121.541 120.500 0.010 0.000 2.062 805 R HA -0.128 4.215 4.340 0.004 0.000 0.231 805 R C 2.189 178.513 176.300 0.039 0.000 1.136 805 R CA 1.631 57.769 56.100 0.064 0.000 0.948 805 R CB -0.212 30.118 30.300 0.050 0.000 0.845 805 R HN 0.305 nan 8.270 nan 0.000 0.430 806 E N 0.250 120.440 120.200 -0.017 0.000 2.106 806 E HA -0.152 4.200 4.350 0.004 0.000 0.192 806 E C 2.017 178.590 176.600 -0.045 0.000 0.984 806 E CA 1.259 57.657 56.400 -0.004 0.000 0.806 806 E CB -0.078 29.628 29.700 0.011 0.000 0.750 806 E HN 0.148 nan 8.360 nan 0.000 0.458 807 S N -0.101 115.461 115.700 -0.229 0.000 2.356 807 S HA -0.141 4.331 4.470 0.004 0.000 0.223 807 S C 1.675 176.241 174.600 -0.057 0.000 1.032 807 S CA 0.923 58.953 58.200 -0.284 0.000 1.005 807 S CB -0.193 62.544 63.200 -0.772 0.000 0.867 807 S HN 0.173 nan 8.310 nan 0.000 0.449 808 F N 1.537 121.475 119.950 -0.021 0.000 2.259 808 F HA 0.111 4.641 4.527 0.003 0.000 0.298 808 F C 2.956 178.837 175.800 0.135 0.000 1.088 808 F CA 0.992 59.041 58.000 0.081 0.000 1.358 808 F CB -0.984 38.022 39.000 0.009 0.000 1.040 808 F HN 0.242 nan 8.300 nan 0.000 0.505 809 S N -0.143 115.708 115.700 0.253 0.000 2.368 809 S HA -0.219 4.253 4.470 0.004 0.000 0.225 809 S C 2.124 176.813 174.600 0.148 0.000 1.030 809 S CA 1.387 59.685 58.200 0.163 0.000 0.999 809 S CB -0.202 63.059 63.200 0.103 0.000 0.844 809 S HN 0.315 nan 8.310 nan 0.000 0.459 810 M N -0.414 119.288 119.600 0.170 0.000 2.175 810 M HA 0.003 4.485 4.480 0.004 0.000 0.264 810 M C 1.902 178.317 176.300 0.191 0.000 1.063 810 M CA 1.202 56.612 55.300 0.184 0.000 1.119 810 M CB -0.447 32.283 32.600 0.217 0.000 1.377 810 M HN 0.437 nan 8.290 nan 0.000 0.415 811 F N 1.456 121.441 119.950 0.058 0.000 2.095 811 F HA -0.204 4.325 4.527 0.003 0.000 0.298 811 F C 2.386 178.184 175.800 -0.003 0.000 1.104 811 F CA 1.685 59.635 58.000 -0.083 0.000 1.232 811 F CB -0.507 38.493 39.000 0.001 0.000 0.987 811 F HN 0.061 nan 8.300 nan 0.000 0.475 812 A N 0.389 123.220 122.820 0.018 0.000 1.902 812 A HA -0.070 4.252 4.320 0.004 0.000 0.217 812 A C 2.443 179.959 177.584 -0.114 0.000 1.181 812 A CA 1.966 53.952 52.037 -0.084 0.000 0.623 812 A CB -1.624 17.404 19.000 0.046 0.000 0.818 812 A HN 0.528 nan 8.150 nan 0.000 0.443 813 A N -0.587 122.207 122.820 -0.043 0.000 1.883 813 A HA -0.189 4.133 4.320 0.004 0.000 0.217 813 A C 2.306 179.852 177.584 -0.064 0.000 1.186 813 A CA 2.015 54.031 52.037 -0.036 0.000 0.624 813 A CB -0.578 18.426 19.000 0.006 0.000 0.822 813 A HN 0.628 nan 8.150 nan 0.000 0.444 814 M N -0.440 119.107 119.600 -0.089 0.000 2.159 814 M HA -0.120 4.362 4.480 0.004 0.000 0.263 814 M C 1.854 178.069 176.300 -0.140 0.000 1.063 814 M CA 1.625 56.873 55.300 -0.087 0.000 1.110 814 M CB -0.337 32.196 32.600 -0.112 0.000 1.374 814 M HN 0.430 nan 8.290 nan 0.000 0.411 815 L N -0.012 121.046 121.223 -0.275 0.000 2.083 815 L HA -0.210 4.133 4.340 0.004 0.000 0.209 815 L C 2.439 179.244 176.870 -0.108 0.000 1.083 815 L CA 1.038 55.735 54.840 -0.238 0.000 0.752 815 L CB -0.810 41.047 42.059 -0.336 0.000 0.899 815 L HN 0.280 nan 8.230 nan 0.000 0.433 816 E N -0.601 119.553 120.200 -0.078 0.000 2.107 816 E HA -0.147 4.205 4.350 0.004 0.000 0.191 816 E C 2.387 179.010 176.600 0.038 0.000 0.982 816 E CA 1.234 57.624 56.400 -0.017 0.000 0.809 816 E CB -0.263 29.421 29.700 -0.026 0.000 0.756 816 E HN 0.281 nan 8.360 nan 0.000 0.459 817 S N 0.613 116.324 115.700 0.019 0.000 2.423 817 S HA -0.106 4.366 4.470 0.004 0.000 0.231 817 S C 1.898 176.562 174.600 0.107 0.000 1.014 817 S CA 0.576 58.816 58.200 0.067 0.000 0.965 817 S CB -0.080 63.137 63.200 0.028 0.000 0.785 817 S HN 0.170 nan 8.310 nan 0.000 0.495 818 L N 1.636 122.890 121.223 0.053 0.000 2.083 818 L HA 0.029 4.372 4.340 0.004 0.000 0.209 818 L C 2.125 179.037 176.870 0.071 0.000 1.083 818 L CA 1.882 56.751 54.840 0.050 0.000 0.752 818 L CB -0.698 41.363 42.059 0.003 0.000 0.899 818 L HN 0.195 nan 8.230 nan 0.000 0.433 819 K N -1.588 118.860 120.400 0.080 0.000 2.002 819 K HA -0.228 4.094 4.320 0.004 0.000 0.209 819 K C 2.165 178.866 176.600 0.167 0.000 1.048 819 K CA 1.998 58.344 56.287 0.098 0.000 0.930 819 K CB -0.596 31.960 32.500 0.093 0.000 0.714 819 K HN 0.334 nan 8.250 nan 0.000 0.438 820 Y N 2.295 122.647 120.300 0.087 0.000 2.097 820 Y HA -0.286 4.267 4.550 0.004 0.000 0.282 820 Y C 2.336 178.315 175.900 0.132 0.000 1.152 820 Y CA 1.562 59.750 58.100 0.147 0.000 1.136 820 Y CB 0.154 38.677 38.460 0.106 0.000 0.975 820 Y HN 0.071 nan 8.280 nan 0.000 0.498 821 E N -0.416 119.908 120.200 0.207 0.000 2.077 821 E HA -0.187 4.165 4.350 0.004 0.000 0.193 821 E C 2.418 179.043 176.600 0.042 0.000 0.989 821 E CA 1.343 57.803 56.400 0.100 0.000 0.800 821 E CB -0.703 29.067 29.700 0.117 0.000 0.746 821 E HN 0.402 nan 8.360 nan 0.000 0.452 822 V N 1.710 121.655 119.914 0.053 0.000 2.255 822 V HA -0.250 3.872 4.120 0.004 0.000 0.247 822 V C 2.345 178.473 176.094 0.056 0.000 1.051 822 V CA 1.363 63.684 62.300 0.035 0.000 1.018 822 V CB -0.349 31.487 31.823 0.021 0.000 0.641 822 V HN 0.201 nan 8.190 nan 0.000 0.445 823 I N -0.251 120.362 120.570 0.073 0.000 2.315 823 I HA -0.149 4.023 4.170 0.004 0.000 0.248 823 I C 2.689 178.935 176.117 0.216 0.000 1.117 823 I CA 1.722 63.100 61.300 0.131 0.000 1.404 823 I CB -1.431 36.661 38.000 0.155 0.000 1.071 823 I HN 0.333 nan 8.210 nan 0.000 0.419 824 S N 0.266 116.015 115.700 0.082 0.000 2.368 824 S HA -0.177 4.295 4.470 0.004 0.000 0.225 824 S C 2.110 176.728 174.600 0.030 0.000 1.030 824 S CA 2.221 60.370 58.200 -0.084 0.000 0.999 824 S CB -0.195 62.779 63.200 -0.378 0.000 0.844 824 S HN 0.474 nan 8.310 nan 0.000 0.459 825 T N 2.649 117.233 114.554 0.051 0.000 2.746 825 T HA 0.017 4.369 4.350 0.004 0.000 0.267 825 T C 1.674 176.483 174.700 0.181 0.000 1.039 825 T CA 1.433 63.590 62.100 0.094 0.000 1.142 825 T CB -0.348 68.558 68.868 0.064 0.000 0.866 825 T HN 0.341 nan 8.240 nan 0.000 0.444 826 L N 0.695 122.044 121.223 0.210 0.000 2.291 826 L HA 0.002 4.345 4.340 0.004 0.000 0.214 826 L C 2.649 179.726 176.870 0.344 0.000 1.120 826 L CA 0.656 55.698 54.840 0.337 0.000 0.799 826 L CB -0.368 41.905 42.059 0.356 0.000 0.925 826 L HN 0.216 nan 8.230 nan 0.000 0.446 827 S N -0.305 115.564 115.700 0.282 0.000 2.406 827 S HA -0.059 4.413 4.470 0.004 0.000 0.224 827 S C 1.828 176.549 174.600 0.202 0.000 1.030 827 S CA 0.888 59.259 58.200 0.284 0.000 0.958 827 S CB 0.091 63.529 63.200 0.396 0.000 0.811 827 S HN 0.325 nan 8.310 nan 0.000 0.489 828 K N 0.961 121.455 120.400 0.156 0.000 2.379 828 K HA 0.233 4.555 4.320 0.004 0.000 0.194 828 K C 0.314 176.967 176.600 0.088 0.000 1.031 828 K CA -0.097 56.251 56.287 0.101 0.000 1.037 828 K CB 0.298 32.833 32.500 0.058 0.000 0.824 828 K HN 0.111 nan 8.250 nan 0.000 0.516 829 V N 2.387 122.371 119.914 0.117 0.000 2.720 829 V HA -0.091 4.031 4.120 0.004 0.000 0.307 829 V C -0.155 175.938 176.094 -0.002 0.000 1.071 829 V CA 0.337 62.685 62.300 0.081 0.000 1.199 829 V CB 0.810 32.707 31.823 0.124 0.000 0.900 829 V HN 0.235 nan 8.190 nan 0.000 0.494 830 Q N 4.526 124.311 119.800 -0.026 0.000 2.274 830 Q HA 0.468 4.811 4.340 0.004 0.000 0.256 830 Q C -0.582 175.361 176.000 -0.096 0.000 0.927 830 Q CA -0.079 55.697 55.803 -0.045 0.000 0.939 830 Q CB 1.555 30.277 28.738 -0.026 0.000 1.201 830 Q HN 0.853 nan 8.270 nan 0.000 0.426 831 V N 2.404 122.262 119.914 -0.093 0.000 2.577 831 V HA 0.572 4.695 4.120 0.004 0.000 0.303 831 V C -0.265 175.789 176.094 -0.067 0.000 1.042 831 V CA -1.213 61.026 62.300 -0.103 0.000 0.872 831 V CB 1.739 33.477 31.823 -0.142 0.000 0.998 831 V HN 0.824 nan 8.190 nan 0.000 0.423 832 R N 4.414 124.880 120.500 -0.056 0.000 2.404 832 R HA 0.337 4.680 4.340 0.004 0.000 0.315 832 R C -0.252 176.025 176.300 -0.040 0.000 1.032 832 R CA -0.396 55.681 56.100 -0.040 0.000 0.992 832 R CB 0.424 30.704 30.300 -0.033 0.000 0.959 832 R HN 0.782 nan 8.270 nan 0.000 0.428 833 M N 0.000 119.581 119.600 -0.032 0.000 2.572 833 M HA 0.000 4.482 4.480 0.004 0.000 0.227 833 M CA 0.000 55.282 55.300 -0.030 0.000 0.988 833 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 833 M HN 0.000 nan 8.290 nan 0.000 0.411