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 3me3_1_D DATA FIRST_RESID 15 DATA SEQUENCE TQQLHAAMAD TFLEHMCRLD IDSPPITARN TGIICTIGPA SRSVETLKEM DATA SEQUENCE IKSGMNVARL NFSHGTHEYH AETIKNVRTA TESFASDPIL YRPVAVALDT DATA SEQUENCE KGPEIRTXXX XXXXXXXXEL KKGATLKITL DNAYMEKCDE NILWLDYKNI DATA SEQUENCE CKVVEVGSKI YVDDGLISLQ VKQKXXDFLV TEVENGGSLG SKKGVNLPGA DATA SEQUENCE AVDLPAVSEK DIQDLKFGVE QDVDMVFASF IRKASDVHEV RKVLGEKGKN DATA SEQUENCE IKIISKIENH EGVRRFDEIL EASDGIMVAR GDLGIEIPAE KVFLAQKMMI DATA SEQUENCE GRCNRAGKPV ICATQMLESM IKKPRPTRAE GSDVANAVLD GADCIMLSGE DATA SEQUENCE TAKGDYPLEA VRMQHLIARE AEAAIYHLQL FEELRRLAPI TSDPTEATAV DATA SEQUENCE GAVEASFKCC SGAIIVLTKS GRSAHQVARY RPRAPIIAVT RNPQTARQAH DATA SEQUENCE LYRGIFPVLC KDPVQEAWAE DVDLRVNFAM NVGKARGFFK KGDVVIVLTG DATA SEQUENCE WRPGSGFTNT MRVVPVP 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 15 T HA 0.000 nan 4.350 nan 0.000 0.228 15 T C 0.000 174.730 174.700 0.051 0.000 1.109 15 T CA 0.000 62.121 62.100 0.035 0.000 1.349 15 T CB 0.000 68.886 68.868 0.030 0.000 0.612 16 Q N 0.409 120.239 119.800 0.051 0.000 2.481 16 Q HA -0.230 4.111 4.340 0.001 0.000 0.258 16 Q C 0.826 176.882 176.000 0.094 0.000 0.961 16 Q CA 2.730 58.573 55.803 0.067 0.000 1.121 16 Q CB -2.945 25.830 28.738 0.062 0.000 1.503 16 Q HN 1.824 nan 8.270 nan 0.000 0.544 17 Q N -2.658 117.190 119.800 0.081 0.000 2.457 17 Q HA -0.250 4.091 4.340 0.001 0.000 0.283 17 Q C 1.041 177.119 176.000 0.131 0.000 1.234 17 Q CA 1.344 57.200 55.803 0.088 0.000 0.877 17 Q CB -2.414 26.371 28.738 0.078 0.000 1.250 17 Q HN 0.899 nan 8.270 nan 0.000 0.481 18 L N -1.189 120.110 121.223 0.128 0.000 2.291 18 L HA -0.147 4.194 4.340 0.001 0.000 0.214 18 L C 2.265 179.239 176.870 0.174 0.000 1.120 18 L CA 1.183 56.108 54.840 0.141 0.000 0.799 18 L CB -0.337 41.786 42.059 0.107 0.000 0.925 18 L HN 0.334 nan 8.230 nan 0.000 0.446 19 H N 0.638 119.737 119.070 0.048 0.000 2.293 19 H HA -0.144 4.413 4.556 0.001 0.000 0.300 19 H C 2.163 177.519 175.328 0.047 0.000 1.082 19 H CA 1.630 57.698 56.048 0.034 0.000 1.308 19 H CB -0.024 29.741 29.762 0.004 0.000 1.375 19 H HN 0.238 nan 8.280 nan 0.000 0.495 20 A N 0.716 123.526 122.820 -0.017 0.000 1.978 20 A HA -0.094 4.226 4.320 0.001 0.000 0.220 20 A C 2.607 180.338 177.584 0.245 0.000 1.170 20 A CA 1.824 53.812 52.037 -0.081 0.000 0.636 20 A CB -1.243 17.598 19.000 -0.265 0.000 0.810 20 A HN 0.608 nan 8.150 nan 0.000 0.448 21 A N -1.205 121.774 122.820 0.264 0.000 2.019 21 A HA -0.054 4.267 4.320 0.001 0.000 0.219 21 A C 1.960 179.690 177.584 0.244 0.000 1.164 21 A CA 1.705 53.934 52.037 0.320 0.000 0.644 21 A CB -0.362 18.786 19.000 0.248 0.000 0.805 21 A HN 0.424 nan 8.150 nan 0.000 0.449 22 M N -0.295 119.402 119.600 0.161 0.000 2.556 22 M HA 0.224 4.705 4.480 0.001 0.000 0.245 22 M C 1.098 177.462 176.300 0.108 0.000 1.128 22 M CA -0.004 55.364 55.300 0.114 0.000 1.069 22 M CB -1.421 31.235 32.600 0.093 0.000 1.469 22 M HN 0.374 nan 8.290 nan 0.000 0.494 23 A N 1.100 123.995 122.820 0.124 0.000 2.462 23 A HA 0.091 4.411 4.320 0.001 0.000 0.243 23 A C 0.732 178.424 177.584 0.180 0.000 1.076 23 A CA -0.063 52.017 52.037 0.070 0.000 0.773 23 A CB 0.200 19.175 19.000 -0.042 0.000 1.010 23 A HN 0.261 nan 8.150 nan 0.000 0.493 24 D N 0.099 120.563 120.400 0.107 0.000 2.317 24 D HA 0.038 4.678 4.640 0.001 0.000 0.211 24 D C 0.970 177.372 176.300 0.171 0.000 0.966 24 D CA 1.800 55.877 54.000 0.128 0.000 0.876 24 D CB 0.077 40.918 40.800 0.068 0.000 0.927 24 D HN 0.742 nan 8.370 nan 0.000 0.519 25 T N -3.796 110.829 114.554 0.118 0.000 2.916 25 T HA 0.304 4.655 4.350 0.001 0.000 0.292 25 T C 0.675 175.347 174.700 -0.047 0.000 1.055 25 T CA -0.916 61.251 62.100 0.111 0.000 1.009 25 T CB 1.325 70.223 68.868 0.049 0.000 1.118 25 T HN -0.119 nan 8.240 nan 0.000 0.497 26 F N 0.962 120.838 119.950 -0.123 0.000 2.146 26 F HA 0.020 4.547 4.527 0.000 0.000 0.298 26 F C 1.944 177.633 175.800 -0.186 0.000 1.096 26 F CA 1.179 58.982 58.000 -0.330 0.000 1.275 26 F CB -0.222 38.717 39.000 -0.103 0.000 1.008 26 F HN 0.535 nan 8.300 nan 0.000 0.480 27 L N 1.119 122.287 121.223 -0.092 0.000 1.990 27 L HA -0.261 4.080 4.340 0.001 0.000 0.213 27 L C 2.306 179.021 176.870 -0.258 0.000 1.072 27 L CA 2.498 57.243 54.840 -0.159 0.000 0.755 27 L CB -1.213 40.827 42.059 -0.031 0.000 0.889 27 L HN 0.276 nan 8.230 nan 0.000 0.432 28 E N -1.512 118.569 120.200 -0.198 0.000 2.153 28 E HA -0.288 4.063 4.350 0.001 0.000 0.194 28 E C 2.198 178.623 176.600 -0.292 0.000 0.988 28 E CA 1.522 57.802 56.400 -0.199 0.000 0.811 28 E CB -0.300 29.324 29.700 -0.126 0.000 0.746 28 E HN 0.739 nan 8.360 nan 0.000 0.466 29 H N -0.294 118.460 119.070 -0.526 0.000 2.290 29 H HA -0.090 4.467 4.556 0.001 0.000 0.298 29 H C 1.946 176.934 175.328 -0.566 0.000 1.087 29 H CA 2.486 58.160 56.048 -0.622 0.000 1.291 29 H CB -0.192 28.924 29.762 -1.077 0.000 1.369 29 H HN 0.177 nan 8.280 nan 0.000 0.492 30 M N -0.722 118.412 119.600 -0.776 0.000 2.082 30 M HA -0.253 4.228 4.480 0.001 0.000 0.258 30 M C 2.527 178.596 176.300 -0.385 0.000 1.069 30 M CA 1.764 56.703 55.300 -0.601 0.000 1.102 30 M CB -0.374 31.928 32.600 -0.497 0.000 1.336 30 M HN 0.442 nan 8.290 nan 0.000 0.404 31 C N -0.337 118.776 119.300 -0.310 0.000 2.410 31 C HA -0.125 4.336 4.460 0.001 0.000 0.281 31 C C 2.504 177.383 174.990 -0.185 0.000 1.318 31 C CA 0.879 59.776 59.018 -0.203 0.000 1.776 31 C CB -1.300 26.345 27.740 -0.157 0.000 1.942 31 C HN 0.463 nan 8.230 nan 0.000 0.508 32 R N -0.259 120.090 120.500 -0.252 0.000 2.290 32 R HA 0.225 4.566 4.340 0.001 0.000 0.197 32 R C 0.208 176.407 176.300 -0.169 0.000 0.913 32 R CA -0.149 55.836 56.100 -0.192 0.000 1.040 32 R CB -0.036 30.078 30.300 -0.310 0.000 0.992 32 R HN 0.470 nan 8.270 nan 0.000 0.500 33 L N 2.285 123.354 121.223 -0.257 0.000 2.601 33 L HA -0.065 4.276 4.340 0.001 0.000 0.277 33 L C -0.152 176.658 176.870 -0.099 0.000 1.219 33 L CA 0.502 55.222 54.840 -0.199 0.000 0.915 33 L CB 0.000 41.924 42.059 -0.225 0.000 1.160 33 L HN -0.023 nan 8.230 nan 0.000 0.494 34 D N 3.440 123.805 120.400 -0.057 0.000 2.542 34 D HA 0.213 4.854 4.640 0.001 0.000 0.252 34 D C 0.759 177.048 176.300 -0.019 0.000 1.222 34 D CA -0.592 53.392 54.000 -0.026 0.000 0.895 34 D CB 1.346 42.147 40.800 0.001 0.000 1.207 34 D HN 0.445 nan 8.370 nan 0.000 0.558 35 I N 0.015 120.573 120.570 -0.020 0.000 2.700 35 I HA -0.013 4.158 4.170 0.001 0.000 0.261 35 I C 0.286 176.398 176.117 -0.007 0.000 1.219 35 I CA 0.967 62.259 61.300 -0.014 0.000 1.463 35 I CB 0.207 38.197 38.000 -0.016 0.000 1.092 35 I HN 0.057 nan 8.210 nan 0.000 0.452 36 D N 1.017 121.414 120.400 -0.006 0.000 2.369 36 D HA 0.081 4.722 4.640 0.001 0.000 0.211 36 D C 0.612 176.913 176.300 0.002 0.000 1.077 36 D CA 0.316 54.315 54.000 -0.003 0.000 0.842 36 D CB 0.524 41.321 40.800 -0.006 0.000 0.947 36 D HN 0.254 nan 8.370 nan 0.000 0.509 37 S N 2.598 118.301 115.700 0.005 0.000 2.409 37 S HA 0.281 4.752 4.470 0.001 0.000 0.308 37 S C -2.529 172.081 174.600 0.017 0.000 1.080 37 S CA -1.326 56.883 58.200 0.014 0.000 1.081 37 S CB 0.693 63.907 63.200 0.024 0.000 1.009 37 S HN -0.103 nan 8.310 nan 0.000 0.502 38 P HA 0.383 nan 4.420 nan 0.000 0.284 38 P C -2.746 174.568 177.300 0.023 0.000 1.253 38 P CA -1.862 61.248 63.100 0.017 0.000 0.800 38 P CB 0.342 32.052 31.700 0.017 0.000 0.961 39 P HA 0.143 nan 4.420 nan 0.000 0.274 39 P C 0.575 177.890 177.300 0.025 0.000 1.246 39 P CA -0.303 62.812 63.100 0.025 0.000 0.795 39 P CB 0.534 32.241 31.700 0.013 0.000 1.006 40 I N -1.594 118.991 120.570 0.024 0.000 3.494 40 I HA -0.006 4.165 4.170 0.001 0.000 0.266 40 I C 1.066 177.200 176.117 0.029 0.000 1.264 40 I CA -0.137 61.176 61.300 0.021 0.000 1.230 40 I CB -0.826 37.172 38.000 -0.004 0.000 1.420 40 I HN 0.210 nan 8.210 nan 0.000 0.675 41 T N 1.789 116.374 114.554 0.052 0.000 2.777 41 T HA 0.039 4.389 4.350 0.001 0.000 0.266 41 T C 1.079 175.835 174.700 0.093 0.000 1.040 41 T CA 1.065 63.229 62.100 0.108 0.000 1.141 41 T CB -0.373 68.607 68.868 0.187 0.000 0.868 41 T HN 0.762 nan 8.240 nan 0.000 0.444 42 A N 2.456 125.216 122.820 -0.100 0.000 2.524 42 A HA 0.357 4.678 4.320 0.001 0.000 0.250 42 A C 0.568 178.207 177.584 0.093 0.000 1.078 42 A CA -0.147 51.728 52.037 -0.270 0.000 0.761 42 A CB 0.035 18.504 19.000 -0.886 0.000 1.012 42 A HN 0.249 nan 8.150 nan 0.000 0.500 43 R N 2.797 123.494 120.500 0.328 0.000 2.343 43 R HA 0.218 4.558 4.340 0.001 0.000 0.320 43 R C -0.571 175.866 176.300 0.228 0.000 0.956 43 R CA -0.612 55.624 56.100 0.227 0.000 0.836 43 R CB 0.747 31.142 30.300 0.158 0.000 1.151 43 R HN 0.843 nan 8.270 nan 0.000 0.450 44 N N 1.143 119.917 118.700 0.123 0.000 2.395 44 N HA -0.009 4.732 4.740 0.001 0.000 0.175 44 N C -0.311 175.147 175.510 -0.087 0.000 1.029 44 N CA 0.750 53.794 53.050 -0.010 0.000 0.897 44 N CB 0.376 38.920 38.487 0.094 0.000 0.991 44 N HN 0.460 nan 8.380 nan 0.000 0.441 45 T N 0.886 115.425 114.554 -0.025 0.000 2.761 45 T HA 0.385 4.736 4.350 0.001 0.000 0.296 45 T C 0.752 175.432 174.700 -0.033 0.000 0.934 45 T CA -0.603 61.484 62.100 -0.021 0.000 1.091 45 T CB 1.068 69.935 68.868 -0.001 0.000 0.896 45 T HN 0.116 nan 8.240 nan 0.000 0.515 46 G N 2.860 111.637 108.800 -0.038 0.000 2.432 46 G HA2 0.438 4.399 3.960 0.001 0.000 0.239 46 G HA3 0.438 4.399 3.960 0.001 0.000 0.239 46 G C -0.348 174.533 174.900 -0.032 0.000 1.291 46 G CA -0.457 44.620 45.100 -0.037 0.000 0.863 46 G HN 0.754 nan 8.290 nan 0.000 0.560 47 I N 1.662 122.204 120.570 -0.046 0.000 2.378 47 I HA 0.306 4.477 4.170 0.001 0.000 0.291 47 I C -0.153 175.953 176.117 -0.020 0.000 0.992 47 I CA -0.460 60.828 61.300 -0.021 0.000 1.154 47 I CB 1.851 39.848 38.000 -0.005 0.000 1.315 47 I HN 0.234 nan 8.210 nan 0.000 0.448 48 I N 5.862 126.442 120.570 0.016 0.000 2.339 48 I HA 0.324 4.495 4.170 0.001 0.000 0.290 48 I C -0.720 175.436 176.117 0.065 0.000 0.994 48 I CA -0.334 61.002 61.300 0.061 0.000 1.191 48 I CB 1.160 39.230 38.000 0.117 0.000 1.343 48 I HN 0.517 nan 8.210 nan 0.000 0.458 49 C N 4.186 123.524 119.300 0.062 0.000 2.322 49 C HA 0.396 4.856 4.460 0.001 0.000 0.324 49 C C 0.686 175.726 174.990 0.084 0.000 1.284 49 C CA -0.609 58.445 59.018 0.061 0.000 1.606 49 C CB 0.915 28.678 27.740 0.039 0.000 2.251 49 C HN 0.666 nan 8.230 nan 0.000 0.502 50 T N 5.206 119.817 114.554 0.095 0.000 2.814 50 T HA 0.290 4.641 4.350 0.001 0.000 0.297 50 T C 0.252 175.010 174.700 0.097 0.000 0.956 50 T CA 0.047 62.213 62.100 0.110 0.000 1.123 50 T CB 0.045 68.983 68.868 0.116 0.000 0.902 50 T HN 0.361 nan 8.240 nan 0.000 0.528 51 I N 3.242 123.876 120.570 0.107 0.000 2.353 51 I HA 0.653 4.824 4.170 0.001 0.000 0.293 51 I C 0.888 177.082 176.117 0.128 0.000 0.992 51 I CA -0.181 61.178 61.300 0.098 0.000 1.268 51 I CB 0.798 38.850 38.000 0.086 0.000 1.387 51 I HN 0.816 nan 8.210 nan 0.000 0.478 52 G N 6.435 115.301 108.800 0.110 0.000 2.753 52 G HA2 0.454 4.415 3.960 0.001 0.000 0.303 52 G HA3 0.454 4.415 3.960 0.001 0.000 0.303 52 G C -2.585 172.379 174.900 0.107 0.000 1.242 52 G CA -0.320 44.862 45.100 0.137 0.000 0.810 52 G HN 0.258 nan 8.290 nan 0.000 0.515 53 P HA -0.038 nan 4.420 nan 0.000 0.216 53 P C 1.880 179.201 177.300 0.035 0.000 1.150 53 P CA 2.331 65.473 63.100 0.070 0.000 0.843 53 P CB 0.072 31.799 31.700 0.045 0.000 0.787 54 A N -0.632 122.204 122.820 0.027 0.000 2.119 54 A HA -0.026 4.295 4.320 0.001 0.000 0.217 54 A C 1.783 179.375 177.584 0.014 0.000 1.153 54 A CA 1.700 53.743 52.037 0.010 0.000 0.692 54 A CB -0.799 18.203 19.000 0.003 0.000 0.799 54 A HN 0.344 nan 8.150 nan 0.000 0.458 55 S N -1.970 113.746 115.700 0.026 0.000 2.893 55 S HA 0.174 4.644 4.470 0.001 0.000 0.258 55 S C 1.152 175.766 174.600 0.023 0.000 1.034 55 S CA 0.147 58.363 58.200 0.027 0.000 1.167 55 S CB -0.137 63.086 63.200 0.038 0.000 1.137 55 S HN 0.641 nan 8.310 nan 0.000 0.650 56 R N 2.406 122.914 120.500 0.014 0.000 2.290 56 R HA 0.225 4.566 4.340 0.001 0.000 0.197 56 R C 0.597 176.885 176.300 -0.020 0.000 0.913 56 R CA 0.712 56.807 56.100 -0.008 0.000 1.040 56 R CB -0.008 30.276 30.300 -0.028 0.000 0.992 56 R HN 0.403 nan 8.270 nan 0.000 0.500 57 S N -0.247 115.447 115.700 -0.009 0.000 2.572 57 S HA 0.054 4.524 4.470 0.001 0.000 0.279 57 S C 1.408 176.010 174.600 0.003 0.000 1.341 57 S CA -0.635 57.560 58.200 -0.008 0.000 1.043 57 S CB 1.780 64.978 63.200 -0.004 0.000 0.887 57 S HN -0.002 nan 8.310 nan 0.000 0.516 58 V N 2.117 122.031 119.914 0.000 0.000 2.332 58 V HA -0.141 3.980 4.120 0.001 0.000 0.248 58 V C 2.699 178.803 176.094 0.018 0.000 1.055 58 V CA 2.133 64.438 62.300 0.009 0.000 1.038 58 V CB -0.934 30.889 31.823 -0.000 0.000 0.651 58 V HN 0.850 nan 8.190 nan 0.000 0.450 59 E N -0.071 120.136 120.200 0.011 0.000 2.072 59 E HA -0.137 4.213 4.350 0.001 0.000 0.191 59 E C 2.347 178.965 176.600 0.031 0.000 0.985 59 E CA 1.717 58.127 56.400 0.017 0.000 0.801 59 E CB -0.639 29.065 29.700 0.008 0.000 0.750 59 E HN 0.605 nan 8.360 nan 0.000 0.452 60 T N 1.873 116.442 114.554 0.025 0.000 2.821 60 T HA -0.049 4.302 4.350 0.001 0.000 0.267 60 T C 2.144 176.869 174.700 0.041 0.000 1.046 60 T CA 0.630 62.747 62.100 0.029 0.000 1.139 60 T CB -0.199 68.680 68.868 0.019 0.000 0.871 60 T HN 0.066 nan 8.240 nan 0.000 0.454 61 L N 0.512 121.761 121.223 0.044 0.000 2.083 61 L HA -0.117 4.224 4.340 0.001 0.000 0.209 61 L C 2.632 179.558 176.870 0.093 0.000 1.083 61 L CA 1.335 56.208 54.840 0.056 0.000 0.752 61 L CB -0.442 41.648 42.059 0.051 0.000 0.899 61 L HN 0.229 nan 8.230 nan 0.000 0.433 62 K N -0.345 120.129 120.400 0.122 0.000 2.032 62 K HA -0.181 4.140 4.320 0.001 0.000 0.209 62 K C 2.055 178.765 176.600 0.183 0.000 1.048 62 K CA 1.258 57.683 56.287 0.229 0.000 0.927 62 K CB -0.115 32.490 32.500 0.175 0.000 0.712 62 K HN 0.233 nan 8.250 nan 0.000 0.441 63 E N 0.442 120.705 120.200 0.105 0.000 2.106 63 E HA -0.119 4.232 4.350 0.001 0.000 0.192 63 E C 2.012 178.628 176.600 0.028 0.000 0.984 63 E CA 0.919 57.358 56.400 0.065 0.000 0.806 63 E CB -0.072 29.657 29.700 0.049 0.000 0.750 63 E HN 0.309 nan 8.360 nan 0.000 0.458 64 M N 0.150 119.767 119.600 0.028 0.000 2.117 64 M HA -0.111 4.370 4.480 0.001 0.000 0.262 64 M C 2.460 178.742 176.300 -0.031 0.000 1.065 64 M CA 1.106 56.409 55.300 0.005 0.000 1.114 64 M CB -0.744 31.866 32.600 0.016 0.000 1.361 64 M HN 0.086 nan 8.290 nan 0.000 0.408 65 I N 0.053 120.603 120.570 -0.033 0.000 2.179 65 I HA -0.310 3.861 4.170 0.001 0.000 0.242 65 I C 2.281 178.289 176.117 -0.182 0.000 1.088 65 I CA 1.365 62.595 61.300 -0.117 0.000 1.357 65 I CB -0.354 37.567 38.000 -0.131 0.000 1.051 65 I HN 0.282 nan 8.210 nan 0.000 0.409 66 K N 0.228 120.542 120.400 -0.144 0.000 2.211 66 K HA -0.065 4.255 4.320 0.001 0.000 0.203 66 K C 2.146 178.665 176.600 -0.134 0.000 1.050 66 K CA 1.224 57.419 56.287 -0.152 0.000 0.945 66 K CB -0.092 32.374 32.500 -0.056 0.000 0.732 66 K HN 0.139 nan 8.250 nan 0.000 0.451 67 S N -0.793 114.847 115.700 -0.099 0.000 2.461 67 S HA 0.022 4.493 4.470 0.001 0.000 0.228 67 S C 1.265 175.768 174.600 -0.161 0.000 1.005 67 S CA 0.996 59.133 58.200 -0.104 0.000 0.942 67 S CB 0.498 63.675 63.200 -0.037 0.000 0.776 67 S HN 0.625 nan 8.310 nan 0.000 0.514 68 G N 0.606 109.316 108.800 -0.149 0.000 2.370 68 G HA2 -0.146 3.815 3.960 0.001 0.000 0.174 68 G HA3 -0.146 3.815 3.960 0.001 0.000 0.174 68 G C 0.079 174.919 174.900 -0.101 0.000 1.002 68 G CA -0.303 44.713 45.100 -0.140 0.000 0.730 68 G HN 0.361 nan 8.290 nan 0.000 0.497 69 M N 1.326 120.869 119.600 -0.095 0.000 2.260 69 M HA 0.266 4.746 4.480 0.001 0.000 0.348 69 M C 1.021 177.212 176.300 -0.181 0.000 1.342 69 M CA 1.084 56.326 55.300 -0.097 0.000 1.040 69 M CB 0.126 32.690 32.600 -0.060 0.000 1.810 69 M HN 0.271 nan 8.290 nan 0.000 0.453 70 N N 2.493 121.047 118.700 -0.242 0.000 2.397 70 N HA 0.184 4.925 4.740 0.001 0.000 0.190 70 N C -1.078 174.225 175.510 -0.344 0.000 1.099 70 N CA -0.198 52.537 53.050 -0.525 0.000 0.876 70 N CB 0.982 39.013 38.487 -0.760 0.000 1.143 70 N HN 0.385 nan 8.380 nan 0.000 0.468 71 V N 0.837 120.669 119.914 -0.137 0.000 2.686 71 V HA 0.676 4.797 4.120 0.001 0.000 0.306 71 V C -1.028 175.074 176.094 0.012 0.000 1.065 71 V CA -1.199 61.089 62.300 -0.020 0.000 0.894 71 V CB 1.642 33.501 31.823 0.061 0.000 1.004 71 V HN 0.102 nan 8.190 nan 0.000 0.424 72 A N 4.800 127.630 122.820 0.016 0.000 2.252 72 A HA 0.706 5.027 4.320 0.001 0.000 0.309 72 A C 0.032 177.636 177.584 0.033 0.000 1.285 72 A CA -0.476 51.581 52.037 0.033 0.000 0.900 72 A CB 0.307 19.326 19.000 0.032 0.000 1.157 72 A HN 0.864 nan 8.150 nan 0.000 0.536 73 R N 3.461 124.004 120.500 0.071 0.000 2.297 73 R HA 0.581 4.922 4.340 0.001 0.000 0.308 73 R C -1.408 174.950 176.300 0.095 0.000 1.029 73 R CA -0.421 55.722 56.100 0.073 0.000 0.929 73 R CB 0.511 30.936 30.300 0.208 0.000 1.046 73 R HN 0.694 nan 8.270 nan 0.000 0.461 74 L N 4.211 125.482 121.223 0.081 0.000 2.305 74 L HA 0.303 4.643 4.340 0.001 0.000 0.284 74 L C -0.352 176.618 176.870 0.167 0.000 1.013 74 L CA -0.983 53.935 54.840 0.130 0.000 0.819 74 L CB 1.615 43.761 42.059 0.146 0.000 1.227 74 L HN 0.642 nan 8.230 nan 0.000 0.417 75 N N 2.713 121.514 118.700 0.168 0.000 2.437 75 N HA 0.152 4.893 4.740 0.001 0.000 0.243 75 N C 0.060 175.662 175.510 0.153 0.000 1.041 75 N CA -0.110 53.057 53.050 0.196 0.000 0.940 75 N CB 0.589 39.191 38.487 0.192 0.000 1.133 75 N HN 0.335 nan 8.380 nan 0.000 0.506 76 F N 1.307 121.251 119.950 -0.011 0.000 2.773 76 F HA 0.153 4.681 4.527 0.001 0.000 0.304 76 F C 2.085 177.906 175.800 0.034 0.000 1.129 76 F CA 0.032 58.040 58.000 0.014 0.000 1.378 76 F CB 0.137 39.103 39.000 -0.058 0.000 1.095 76 F HN 0.453 nan 8.300 nan 0.000 0.565 77 S N -1.398 114.368 115.700 0.110 0.000 2.419 77 S HA -0.082 4.388 4.470 0.001 0.000 0.233 77 S C 0.496 174.845 174.600 -0.419 0.000 1.016 77 S CA 0.967 59.097 58.200 -0.116 0.000 0.974 77 S CB -0.263 62.881 63.200 -0.092 0.000 0.786 77 S HN 0.312 nan 8.310 nan 0.000 0.492 78 H N -1.079 118.022 119.070 0.050 0.000 2.928 78 H HA 0.541 5.097 4.556 0.001 0.000 0.371 78 H C 0.302 175.574 175.328 -0.093 0.000 1.186 78 H CA -0.052 55.977 56.048 -0.033 0.000 1.134 78 H CB 1.532 31.249 29.762 -0.074 0.000 1.824 78 H HN 0.331 nan 8.280 nan 0.000 0.554 79 G N 1.034 109.766 108.800 -0.113 0.000 2.697 79 G HA2 -0.121 3.840 3.960 0.001 0.000 0.686 79 G HA3 -0.121 3.840 3.960 0.001 0.000 0.686 79 G C -0.069 174.661 174.900 -0.282 0.000 1.179 79 G CA -0.408 44.434 45.100 -0.430 0.000 0.765 79 G HN 0.801 nan 8.290 nan 0.000 0.649 80 T N -1.299 113.100 114.554 -0.258 0.000 2.874 80 T HA 0.536 4.887 4.350 0.001 0.000 0.281 80 T C 1.373 176.070 174.700 -0.005 0.000 0.994 80 T CA 0.461 62.507 62.100 -0.091 0.000 1.015 80 T CB 1.228 70.056 68.868 -0.066 0.000 1.028 80 T HN 0.679 nan 8.240 nan 0.000 0.523 81 H N 0.529 119.479 119.070 -0.200 0.000 2.387 81 H HA -0.078 4.479 4.556 0.001 0.000 0.299 81 H C 2.703 177.944 175.328 -0.145 0.000 1.099 81 H CA 1.436 57.210 56.048 -0.457 0.000 1.315 81 H CB -0.091 29.263 29.762 -0.680 0.000 1.380 81 H HN 0.922 nan 8.280 nan 0.000 0.513 82 E N 1.410 121.666 120.200 0.093 0.000 2.058 82 E HA -0.243 4.108 4.350 0.001 0.000 0.194 82 E C 1.796 178.459 176.600 0.104 0.000 0.997 82 E CA 1.434 57.903 56.400 0.115 0.000 0.801 82 E CB -1.152 28.594 29.700 0.076 0.000 0.746 82 E HN 0.634 nan 8.360 nan 0.000 0.450 83 Y N 0.803 121.055 120.300 -0.080 0.000 2.114 83 Y HA -0.243 4.307 4.550 0.001 0.000 0.284 83 Y C 2.646 178.474 175.900 -0.120 0.000 1.143 83 Y CA 2.448 60.455 58.100 -0.155 0.000 1.135 83 Y CB -0.155 38.113 38.460 -0.320 0.000 0.980 83 Y HN 0.396 nan 8.280 nan 0.000 0.499 84 H N -0.347 118.801 119.070 0.130 0.000 2.321 84 H HA -0.100 4.456 4.556 0.001 0.000 0.300 84 H C 2.401 177.844 175.328 0.190 0.000 1.087 84 H CA 1.247 57.353 56.048 0.097 0.000 1.319 84 H CB -0.978 28.797 29.762 0.023 0.000 1.379 84 H HN 0.514 nan 8.280 nan 0.000 0.501 85 A N 1.070 124.166 122.820 0.460 0.000 1.927 85 A HA -0.283 4.038 4.320 0.001 0.000 0.220 85 A C 2.399 180.071 177.584 0.146 0.000 1.185 85 A CA 2.218 54.476 52.037 0.369 0.000 0.639 85 A CB -0.578 18.662 19.000 0.399 0.000 0.820 85 A HN 0.588 nan 8.150 nan 0.000 0.451 86 E N -1.072 119.157 120.200 0.048 0.000 2.047 86 E HA -0.138 4.212 4.350 0.001 0.000 0.191 86 E C 2.033 178.589 176.600 -0.073 0.000 0.987 86 E CA 1.518 57.894 56.400 -0.040 0.000 0.799 86 E CB -0.193 29.441 29.700 -0.111 0.000 0.752 86 E HN 0.574 nan 8.360 nan 0.000 0.449 87 T N 1.635 116.111 114.554 -0.130 0.000 2.635 87 T HA -0.214 4.137 4.350 0.001 0.000 0.267 87 T C 1.915 176.625 174.700 0.016 0.000 1.040 87 T CA 1.787 63.843 62.100 -0.074 0.000 1.156 87 T CB -0.341 68.504 68.868 -0.038 0.000 0.863 87 T HN 0.200 nan 8.240 nan 0.000 0.430 88 I N 0.895 121.506 120.570 0.068 0.000 2.163 88 I HA -0.236 3.935 4.170 0.001 0.000 0.243 88 I C 2.674 178.814 176.117 0.037 0.000 1.085 88 I CA 1.499 62.836 61.300 0.061 0.000 1.347 88 I CB -0.385 37.658 38.000 0.071 0.000 1.044 88 I HN 0.225 nan 8.210 nan 0.000 0.408 89 K N 1.043 121.463 120.400 0.032 0.000 2.032 89 K HA -0.231 4.089 4.320 0.001 0.000 0.209 89 K C 1.946 178.557 176.600 0.018 0.000 1.048 89 K CA 1.965 58.266 56.287 0.023 0.000 0.927 89 K CB -0.083 32.429 32.500 0.020 0.000 0.712 89 K HN 0.239 nan 8.250 nan 0.000 0.441 90 N N 0.579 119.283 118.700 0.005 0.000 2.149 90 N HA -0.147 4.593 4.740 0.001 0.000 0.188 90 N C 1.778 177.303 175.510 0.025 0.000 1.019 90 N CA 1.153 54.206 53.050 0.005 0.000 0.857 90 N CB -0.441 38.036 38.487 -0.016 0.000 0.997 90 N HN 0.018 nan 8.380 nan 0.000 0.426 91 V N 1.316 121.249 119.914 0.031 0.000 2.343 91 V HA -0.198 3.923 4.120 0.001 0.000 0.247 91 V C 2.226 178.358 176.094 0.063 0.000 1.051 91 V CA 1.607 63.935 62.300 0.046 0.000 1.036 91 V CB -0.308 31.542 31.823 0.044 0.000 0.654 91 V HN 0.308 nan 8.190 nan 0.000 0.451 92 R N -0.681 119.854 120.500 0.058 0.000 2.119 92 R HA -0.069 4.271 4.340 0.001 0.000 0.222 92 R C 2.370 178.715 176.300 0.076 0.000 1.088 92 R CA 1.572 57.716 56.100 0.074 0.000 0.984 92 R CB -0.628 29.707 30.300 0.057 0.000 0.884 92 R HN 0.490 nan 8.270 nan 0.000 0.447 93 T N 1.311 115.896 114.554 0.050 0.000 2.652 93 T HA -0.183 4.168 4.350 0.001 0.000 0.267 93 T C 2.037 176.765 174.700 0.045 0.000 1.039 93 T CA 1.625 63.747 62.100 0.037 0.000 1.153 93 T CB -0.321 68.556 68.868 0.016 0.000 0.863 93 T HN 0.368 nan 8.240 nan 0.000 0.428 94 A N 1.302 124.158 122.820 0.060 0.000 1.908 94 A HA -0.163 4.157 4.320 0.001 0.000 0.218 94 A C 2.571 180.270 177.584 0.192 0.000 1.181 94 A CA 2.273 54.365 52.037 0.092 0.000 0.627 94 A CB -1.318 17.747 19.000 0.108 0.000 0.818 94 A HN 0.505 nan 8.150 nan 0.000 0.445 95 T N 0.008 114.683 114.554 0.203 0.000 2.737 95 T HA -0.086 4.265 4.350 0.001 0.000 0.265 95 T C 1.641 176.585 174.700 0.406 0.000 1.038 95 T CA 1.440 63.709 62.100 0.283 0.000 1.144 95 T CB -0.237 68.743 68.868 0.186 0.000 0.866 95 T HN 0.459 nan 8.240 nan 0.000 0.434 96 E N 1.678 122.047 120.200 0.281 0.000 2.418 96 E HA -0.025 4.325 4.350 0.001 0.000 0.197 96 E C 2.414 179.090 176.600 0.128 0.000 1.026 96 E CA 0.581 57.123 56.400 0.238 0.000 0.862 96 E CB -0.502 29.270 29.700 0.121 0.000 0.799 96 E HN 0.654 nan 8.360 nan 0.000 0.518 97 S N -0.237 115.477 115.700 0.024 0.000 2.442 97 S HA -0.099 4.372 4.470 0.001 0.000 0.236 97 S C 1.418 175.836 174.600 -0.303 0.000 1.007 97 S CA 0.494 58.577 58.200 -0.196 0.000 0.965 97 S CB -0.419 62.562 63.200 -0.365 0.000 0.773 97 S HN 0.143 nan 8.310 nan 0.000 0.504 98 F N 1.253 121.297 119.950 0.157 0.000 2.693 98 F HA 0.580 5.107 4.527 0.001 0.000 0.303 98 F C 2.221 178.189 175.800 0.281 0.000 1.097 98 F CA -0.228 57.889 58.000 0.194 0.000 1.330 98 F CB -0.314 38.794 39.000 0.179 0.000 1.067 98 F HN 0.282 nan 8.300 nan 0.000 0.565 99 A N 0.045 123.045 122.820 0.301 0.000 2.015 99 A HA -0.135 4.185 4.320 0.001 0.000 0.219 99 A C 2.333 179.920 177.584 0.005 0.000 1.163 99 A CA 1.577 53.640 52.037 0.043 0.000 0.646 99 A CB -0.896 18.049 19.000 -0.091 0.000 0.806 99 A HN 0.355 nan 8.150 nan 0.000 0.448 100 S N -0.527 115.202 115.700 0.049 0.000 2.440 100 S HA -0.128 4.342 4.470 0.001 0.000 0.238 100 S C 0.555 175.184 174.600 0.048 0.000 1.010 100 S CA 1.129 59.345 58.200 0.026 0.000 0.972 100 S CB -0.235 62.980 63.200 0.024 0.000 0.774 100 S HN 0.503 nan 8.310 nan 0.000 0.501 101 D N 1.570 122.033 120.400 0.105 0.000 2.446 101 D HA 0.428 5.068 4.640 0.001 0.000 0.251 101 D C -2.348 174.063 176.300 0.184 0.000 1.137 101 D CA -2.596 51.478 54.000 0.124 0.000 0.890 101 D CB 1.707 42.582 40.800 0.125 0.000 1.071 101 D HN -0.062 nan 8.370 nan 0.000 0.528 102 P HA -0.040 nan 4.420 nan 0.000 0.222 102 P C 1.700 179.267 177.300 0.445 0.000 1.147 102 P CA 0.280 63.541 63.100 0.269 0.000 0.790 102 P CB 0.418 32.194 31.700 0.126 0.000 0.780 103 I N -1.022 119.756 120.570 0.347 0.000 2.208 103 I HA -0.186 3.985 4.170 0.001 0.000 0.245 103 I C 1.997 178.145 176.117 0.052 0.000 1.097 103 I CA 1.762 63.161 61.300 0.165 0.000 1.363 103 I CB -1.046 37.007 38.000 0.088 0.000 1.051 103 I HN 0.045 nan 8.210 nan 0.000 0.413 104 L N -1.352 119.937 121.223 0.109 0.000 2.590 104 L HA 0.041 4.382 4.340 0.001 0.000 0.227 104 L C 0.694 177.638 176.870 0.123 0.000 1.099 104 L CA -0.251 54.628 54.840 0.065 0.000 0.872 104 L CB -0.292 41.806 42.059 0.066 0.000 1.088 104 L HN 0.102 nan 8.230 nan 0.000 0.479 105 Y N 1.861 122.217 120.300 0.095 0.000 2.620 105 Y HA 0.020 4.570 4.550 0.001 0.000 0.330 105 Y C 0.467 176.422 175.900 0.091 0.000 1.186 105 Y CA 0.108 58.278 58.100 0.117 0.000 1.467 105 Y CB 0.418 38.973 38.460 0.158 0.000 1.262 105 Y HN -0.176 nan 8.280 nan 0.000 0.550 106 R N 8.099 128.277 120.500 -0.536 0.000 2.246 106 R HA 0.457 4.798 4.340 0.001 0.000 0.332 106 R C -2.891 173.020 176.300 -0.649 0.000 0.974 106 R CA -2.175 53.677 56.100 -0.413 0.000 0.837 106 R CB 0.273 30.407 30.300 -0.278 0.000 1.145 106 R HN 0.697 nan 8.270 nan 0.000 0.467 107 P HA 0.169 nan 4.420 nan 0.000 0.269 107 P C -0.929 176.428 177.300 0.094 0.000 1.209 107 P CA -0.175 62.875 63.100 -0.083 0.000 0.776 107 P CB 0.780 32.565 31.700 0.142 0.000 0.876 108 V N 2.254 122.202 119.914 0.056 0.000 2.487 108 V HA 0.592 4.712 4.120 0.001 0.000 0.298 108 V C 0.333 176.481 176.094 0.090 0.000 1.028 108 V CA -0.827 61.491 62.300 0.031 0.000 0.860 108 V CB 1.427 33.244 31.823 -0.010 0.000 0.991 108 V HN 0.696 nan 8.190 nan 0.000 0.427 109 A N 4.636 127.520 122.820 0.106 0.000 2.286 109 A HA 0.827 5.147 4.320 0.001 0.000 0.286 109 A C -0.470 177.134 177.584 0.033 0.000 1.097 109 A CA -0.429 51.663 52.037 0.092 0.000 0.821 109 A CB 1.090 20.167 19.000 0.128 0.000 1.076 109 A HN 0.707 nan 8.150 nan 0.000 0.490 110 V N 0.701 120.618 119.914 0.005 0.000 2.448 110 V HA 0.651 4.772 4.120 0.001 0.000 0.295 110 V C 0.276 176.302 176.094 -0.113 0.000 1.025 110 V CA -0.158 62.121 62.300 -0.034 0.000 0.859 110 V CB 1.192 33.002 31.823 -0.022 0.000 0.988 110 V HN 1.202 nan 8.190 nan 0.000 0.431 111 A N 5.228 127.932 122.820 -0.194 0.000 2.343 111 A HA 0.873 5.193 4.320 0.001 0.000 0.316 111 A C -1.063 176.276 177.584 -0.409 0.000 1.104 111 A CA -0.542 51.214 52.037 -0.467 0.000 0.768 111 A CB 1.334 19.841 19.000 -0.823 0.000 1.213 111 A HN 0.897 nan 8.150 nan 0.000 0.456 112 L N 2.460 123.421 121.223 -0.436 0.000 2.305 112 L HA 0.494 4.835 4.340 0.001 0.000 0.284 112 L C -1.121 175.582 176.870 -0.278 0.000 1.013 112 L CA -0.483 54.179 54.840 -0.297 0.000 0.819 112 L CB 1.199 43.030 42.059 -0.381 0.000 1.227 112 L HN 0.717 nan 8.230 nan 0.000 0.417 113 D N 3.876 124.236 120.400 -0.067 0.000 2.414 113 D HA 0.199 4.840 4.640 0.001 0.000 0.232 113 D C -0.308 176.062 176.300 0.117 0.000 1.070 113 D CA -0.180 53.878 54.000 0.095 0.000 0.839 113 D CB 1.599 42.551 40.800 0.253 0.000 1.079 113 D HN 0.599 nan 8.370 nan 0.000 0.521 114 T N 0.908 115.505 114.554 0.073 0.000 2.898 114 T HA 0.121 4.471 4.350 0.001 0.000 0.301 114 T C 1.343 176.102 174.700 0.098 0.000 1.049 114 T CA -0.473 61.662 62.100 0.059 0.000 1.095 114 T CB 2.025 70.907 68.868 0.024 0.000 0.976 114 T HN 0.418 nan 8.240 nan 0.000 0.539 115 K N 2.066 122.522 120.400 0.094 0.000 2.009 115 K HA 0.110 4.431 4.320 0.001 0.000 0.210 115 K C 1.171 177.781 176.600 0.016 0.000 1.049 115 K CA 1.321 57.635 56.287 0.044 0.000 0.929 115 K CB -1.038 31.474 32.500 0.021 0.000 0.714 115 K HN 1.202 nan 8.250 nan 0.000 0.440 116 G N 0.309 109.121 108.800 0.021 0.000 2.795 116 G HA2 -0.178 3.783 3.960 0.001 0.000 0.664 116 G HA3 -0.178 3.783 3.960 0.001 0.000 0.664 116 G C -2.689 172.181 174.900 -0.051 0.000 1.381 116 G CA -0.578 44.530 45.100 0.014 0.000 0.853 116 G HN 0.190 nan 8.290 nan 0.000 0.545 117 P HA 0.328 nan 4.420 nan 0.000 0.267 117 P C -0.127 176.977 177.300 -0.326 0.000 1.200 117 P CA 0.429 63.432 63.100 -0.162 0.000 0.772 117 P CB 0.608 32.240 31.700 -0.113 0.000 0.855 118 E N 1.284 121.322 120.200 -0.270 0.000 2.393 118 E HA 0.513 4.864 4.350 0.001 0.000 0.273 118 E C -0.684 175.760 176.600 -0.259 0.000 0.918 118 E CA -0.777 55.454 56.400 -0.282 0.000 0.773 118 E CB 2.061 31.661 29.700 -0.167 0.000 1.275 118 E HN 0.300 nan 8.360 nan 0.000 0.451 119 I N 1.965 122.385 120.570 -0.250 0.000 2.378 119 I HA 0.436 4.607 4.170 0.001 0.000 0.291 119 I C -0.106 175.944 176.117 -0.112 0.000 0.992 119 I CA -0.752 60.441 61.300 -0.179 0.000 1.154 119 I CB 1.068 38.959 38.000 -0.182 0.000 1.315 119 I HN 0.150 nan 8.210 nan 0.000 0.448 120 R N 2.936 123.385 120.500 -0.085 0.000 2.854 120 R HA 0.587 4.928 4.340 0.001 0.000 0.271 120 R C -0.317 175.953 176.300 -0.051 0.000 0.994 120 R CA -0.673 55.406 56.100 -0.036 0.000 0.945 120 R CB 2.405 32.713 30.300 0.014 0.000 1.194 120 R HN 0.748 nan 8.270 nan 0.000 0.476 134 L N 2.933 124.167 121.223 0.019 0.000 2.296 134 L HA 0.803 5.143 4.340 0.001 0.000 0.286 134 L C 0.195 177.075 176.870 0.017 0.000 1.023 134 L CA -0.731 54.121 54.840 0.020 0.000 0.812 134 L CB 1.382 43.456 42.059 0.025 0.000 1.223 134 L HN 0.603 nan 8.230 nan 0.000 0.421 135 K N 2.128 122.538 120.400 0.016 0.000 2.156 135 K HA 0.710 5.030 4.320 0.001 0.000 0.271 135 K C 0.057 176.666 176.600 0.015 0.000 0.995 135 K CA -0.420 55.875 56.287 0.014 0.000 0.890 135 K CB 0.922 33.430 32.500 0.012 0.000 1.073 135 K HN 0.577 nan 8.250 nan 0.000 0.454 136 K N 0.266 120.674 120.400 0.014 0.000 2.472 136 K HA 0.461 4.781 4.320 0.001 0.000 0.280 136 K C 1.531 178.140 176.600 0.015 0.000 1.028 136 K CA 0.654 56.950 56.287 0.015 0.000 1.045 136 K CB -0.684 31.823 32.500 0.012 0.000 0.902 136 K HN 2.335 nan 8.250 nan 0.000 0.478 137 G N -0.105 108.706 108.800 0.017 0.000 2.241 137 G HA2 0.078 4.039 3.960 0.001 0.000 0.244 137 G HA3 0.078 4.039 3.960 0.001 0.000 0.244 137 G C 0.722 175.632 174.900 0.016 0.000 0.998 137 G CA 0.545 45.655 45.100 0.016 0.000 0.621 137 G HN 2.066 nan 8.290 nan 0.000 0.519 138 A N 0.146 122.976 122.820 0.017 0.000 2.366 138 A HA 0.807 5.127 4.320 0.001 0.000 0.249 138 A C 0.773 178.368 177.584 0.019 0.000 1.084 138 A CA 1.600 53.647 52.037 0.016 0.000 0.794 138 A CB 0.160 19.169 19.000 0.015 0.000 1.034 138 A HN 1.958 nan 8.150 nan 0.000 0.491 139 T N 0.259 114.823 114.554 0.017 0.000 2.795 139 T HA 0.560 4.910 4.350 0.001 0.000 0.282 139 T C -0.639 174.072 174.700 0.018 0.000 0.980 139 T CA -0.335 61.777 62.100 0.020 0.000 1.012 139 T CB 0.293 69.172 68.868 0.018 0.000 0.936 139 T HN 0.931 nan 8.240 nan 0.000 0.457 140 L N 2.267 123.504 121.223 0.023 0.000 2.409 140 L HA 0.748 5.089 4.340 0.001 0.000 0.272 140 L C 0.015 176.902 176.870 0.028 0.000 0.980 140 L CA -0.708 54.145 54.840 0.021 0.000 0.826 140 L CB 1.471 43.546 42.059 0.026 0.000 1.268 140 L HN 0.775 nan 8.230 nan 0.000 0.407 141 K N 4.425 124.834 120.400 0.014 0.000 2.201 141 K HA 0.848 5.169 4.320 0.001 0.000 0.278 141 K C -0.276 176.341 176.600 0.028 0.000 1.027 141 K CA 0.251 56.557 56.287 0.032 0.000 0.909 141 K CB 0.672 33.159 32.500 -0.021 0.000 1.062 141 K HN 1.096 nan 8.250 nan 0.000 0.465 142 I N 1.325 121.933 120.570 0.062 0.000 2.315 142 I HA 0.826 4.997 4.170 0.001 0.000 0.291 142 I C 0.726 176.885 176.117 0.070 0.000 1.006 142 I CA -0.106 61.218 61.300 0.041 0.000 1.265 142 I CB 0.342 38.352 38.000 0.017 0.000 1.387 142 I HN 1.081 nan 8.210 nan 0.000 0.475 143 T N 3.191 117.777 114.554 0.053 0.000 2.797 143 T HA 0.749 5.100 4.350 0.001 0.000 0.279 143 T C 0.720 175.486 174.700 0.110 0.000 0.991 143 T CA 0.183 62.345 62.100 0.104 0.000 0.979 143 T CB 1.053 69.958 68.868 0.061 0.000 0.943 143 T HN 2.207 nan 8.240 nan 0.000 0.444 144 L N 0.952 122.236 121.223 0.103 0.000 2.592 144 L HA 0.626 4.967 4.340 0.001 0.000 0.227 144 L C 1.154 178.225 176.870 0.335 0.000 1.127 144 L CA 0.667 55.551 54.840 0.074 0.000 0.884 144 L CB -1.658 40.397 42.059 -0.007 0.000 1.065 144 L HN 0.993 nan 8.230 nan 0.000 0.457 145 D N -0.156 120.467 120.400 0.372 0.000 2.346 145 D HA 0.374 5.014 4.640 0.001 0.000 0.267 145 D C 1.220 177.770 176.300 0.417 0.000 1.320 145 D CA 0.348 54.561 54.000 0.354 0.000 0.951 145 D CB -0.955 40.033 40.800 0.314 0.000 1.079 145 D HN 0.845 nan 8.370 nan 0.000 0.509 146 N N 0.528 119.409 118.700 0.301 0.000 2.503 146 N HA 0.050 4.791 4.740 0.001 0.000 0.189 146 N C 2.407 177.823 175.510 -0.156 0.000 1.048 146 N CA 1.974 55.059 53.050 0.058 0.000 0.905 146 N CB -0.363 38.173 38.487 0.082 0.000 0.951 146 N HN 1.021 nan 8.380 nan 0.000 0.446 147 A N -0.206 122.587 122.820 -0.045 0.000 1.915 147 A HA -0.149 4.172 4.320 0.001 0.000 0.220 147 A C 1.506 178.872 177.584 -0.363 0.000 1.198 147 A CA 1.695 53.608 52.037 -0.205 0.000 0.647 147 A CB -0.697 18.177 19.000 -0.210 0.000 0.825 147 A HN 0.762 nan 8.150 nan 0.000 0.456 148 Y N -1.269 118.934 120.300 -0.162 0.000 2.645 148 Y HA 0.295 4.846 4.550 0.001 0.000 0.307 148 Y C 2.453 178.149 175.900 -0.341 0.000 1.151 148 Y CA 0.274 58.288 58.100 -0.142 0.000 1.291 148 Y CB -0.798 37.681 38.460 0.031 0.000 1.135 148 Y HN 0.347 nan 8.280 nan 0.000 0.523 149 M N 0.303 119.512 119.600 -0.652 0.000 2.106 149 M HA -0.165 4.316 4.480 0.001 0.000 0.259 149 M C 1.632 177.685 176.300 -0.411 0.000 1.068 149 M CA 2.719 57.382 55.300 -1.062 0.000 1.100 149 M CB -1.488 30.516 32.600 -0.993 0.000 1.351 149 M HN 0.459 nan 8.290 nan 0.000 0.404 150 E N 0.415 120.472 120.200 -0.239 0.000 2.496 150 E HA 0.541 4.892 4.350 0.001 0.000 0.200 150 E C 0.701 177.282 176.600 -0.032 0.000 1.016 150 E CA 0.658 56.994 56.400 -0.106 0.000 0.962 150 E CB -0.864 28.770 29.700 -0.110 0.000 1.071 150 E HN 1.145 nan 8.360 nan 0.000 0.457 151 K N -0.134 120.280 120.400 0.024 0.000 3.350 151 K HA 0.506 4.827 4.320 0.001 0.000 0.181 151 K C -0.205 176.505 176.600 0.182 0.000 1.064 151 K CA -0.104 56.240 56.287 0.095 0.000 0.839 151 K CB -1.284 31.262 32.500 0.077 0.000 0.819 151 K HN 0.402 nan 8.250 nan 0.000 0.523 152 C N 2.316 121.706 119.300 0.149 0.000 2.534 152 C HA 0.859 5.319 4.460 0.001 0.000 0.385 152 C C 0.286 175.334 174.990 0.097 0.000 1.264 152 C CA -0.276 58.828 59.018 0.143 0.000 2.342 152 C CB 0.401 28.233 27.740 0.153 0.000 2.564 152 C HN 0.916 nan 8.230 nan 0.000 0.603 153 D N 0.096 120.541 120.400 0.075 0.000 2.970 153 D HA 0.226 4.867 4.640 0.001 0.000 0.344 153 D C 0.651 176.975 176.300 0.039 0.000 1.365 153 D CA 0.142 54.175 54.000 0.053 0.000 0.910 153 D CB 0.437 41.268 40.800 0.051 0.000 1.445 153 D HN 0.373 nan 8.370 nan 0.000 0.532 154 E N -0.123 120.096 120.200 0.031 0.000 2.284 154 E HA -0.232 4.118 4.350 0.001 0.000 0.200 154 E C 1.129 177.739 176.600 0.016 0.000 1.008 154 E CA 2.241 58.655 56.400 0.023 0.000 0.829 154 E CB -0.878 28.834 29.700 0.020 0.000 0.744 154 E HN 0.478 nan 8.360 nan 0.000 0.491 155 N N -2.099 116.607 118.700 0.009 0.000 2.419 155 N HA 0.282 5.023 4.740 0.001 0.000 0.216 155 N C 0.347 175.838 175.510 -0.032 0.000 1.118 155 N CA 0.971 54.016 53.050 -0.008 0.000 0.850 155 N CB 1.149 39.629 38.487 -0.012 0.000 1.292 155 N HN 0.617 nan 8.380 nan 0.000 0.467 156 I N 1.007 121.554 120.570 -0.039 0.000 2.533 156 I HA 0.681 4.852 4.170 0.001 0.000 0.290 156 I C -1.467 174.646 176.117 -0.006 0.000 1.056 156 I CA -1.038 60.208 61.300 -0.090 0.000 1.057 156 I CB 1.848 39.685 38.000 -0.271 0.000 1.240 156 I HN -0.012 nan 8.210 nan 0.000 0.423 157 L N 5.734 126.972 121.223 0.025 0.000 2.406 157 L HA 0.807 5.148 4.340 0.001 0.000 0.272 157 L C -0.978 175.979 176.870 0.146 0.000 0.980 157 L CA -0.867 54.030 54.840 0.096 0.000 0.831 157 L CB 1.564 43.662 42.059 0.065 0.000 1.253 157 L HN 0.885 nan 8.230 nan 0.000 0.406 158 W N 6.757 128.080 121.300 0.039 0.000 2.315 158 W HA 0.670 5.331 4.660 0.001 0.000 0.316 158 W C -1.522 175.033 176.519 0.061 0.000 1.211 158 W CA -0.491 56.890 57.345 0.060 0.000 1.201 158 W CB 0.837 30.359 29.460 0.104 0.000 1.184 158 W HN 0.486 nan 8.180 nan 0.000 0.544 159 L N 5.547 126.210 121.223 -0.932 0.000 2.341 159 L HA 0.269 4.610 4.340 0.001 0.000 0.267 159 L C 0.505 176.522 176.870 -1.421 0.000 1.009 159 L CA -0.824 53.463 54.840 -0.923 0.000 0.819 159 L CB 2.092 43.916 42.059 -0.391 0.000 1.323 159 L HN 0.576 nan 8.230 nan 0.000 0.425 160 D N -0.899 118.946 120.400 -0.924 0.000 2.349 160 D HA -0.075 4.566 4.640 0.001 0.000 0.214 160 D C 0.137 176.365 176.300 -0.119 0.000 1.063 160 D CA 0.115 53.806 54.000 -0.514 0.000 0.847 160 D CB -0.092 40.595 40.800 -0.188 0.000 0.933 160 D HN 0.385 nan 8.370 nan 0.000 0.513 161 Y N 0.787 120.929 120.300 -0.263 0.000 2.595 161 Y HA 0.359 4.910 4.550 0.001 0.000 0.347 161 Y C 1.694 177.523 175.900 -0.117 0.000 1.025 161 Y CA -0.575 57.438 58.100 -0.145 0.000 1.295 161 Y CB 0.615 39.000 38.460 -0.125 0.000 1.147 161 Y HN -0.013 nan 8.280 nan 0.000 0.515 162 K N 2.451 122.780 120.400 -0.118 0.000 2.209 162 K HA -0.225 4.096 4.320 0.001 0.000 0.204 162 K C 1.070 177.468 176.600 -0.337 0.000 1.048 162 K CA 1.741 57.926 56.287 -0.170 0.000 0.940 162 K CB -1.425 31.048 32.500 -0.045 0.000 0.729 162 K HN 0.841 nan 8.250 nan 0.000 0.451 163 N N 0.388 118.694 118.700 -0.656 0.000 2.279 163 N HA 0.321 5.061 4.740 0.001 0.000 0.226 163 N C 1.423 176.456 175.510 -0.794 0.000 1.126 163 N CA 0.386 53.072 53.050 -0.606 0.000 0.846 163 N CB -0.449 37.811 38.487 -0.378 0.000 1.050 163 N HN 0.535 nan 8.380 nan 0.000 0.502 164 I N -0.675 119.377 120.570 -0.863 0.000 2.264 164 I HA -0.291 3.879 4.170 0.001 0.000 0.248 164 I C 1.875 177.857 176.117 -0.224 0.000 1.111 164 I CA 1.672 62.684 61.300 -0.479 0.000 1.382 164 I CB -0.094 37.792 38.000 -0.189 0.000 1.060 164 I HN 0.470 nan 8.210 nan 0.000 0.418 165 C N 1.429 120.600 119.300 -0.215 0.000 2.432 165 C HA -0.090 4.370 4.460 0.001 0.000 0.280 165 C C 3.075 177.986 174.990 -0.132 0.000 1.353 165 C CA 1.312 60.233 59.018 -0.161 0.000 1.766 165 C CB -1.669 25.968 27.740 -0.170 0.000 1.924 165 C HN 0.636 nan 8.230 nan 0.000 0.509 166 K N 0.371 120.689 120.400 -0.137 0.000 2.296 166 K HA 0.099 4.419 4.320 0.001 0.000 0.200 166 K C 1.661 178.226 176.600 -0.059 0.000 1.048 166 K CA 1.596 57.827 56.287 -0.093 0.000 0.966 166 K CB -0.729 31.718 32.500 -0.090 0.000 0.754 166 K HN 0.641 nan 8.250 nan 0.000 0.466 167 V N -4.753 115.134 119.914 -0.046 0.000 3.643 167 V HA 0.638 4.759 4.120 0.001 0.000 0.280 167 V C 0.912 177.002 176.094 -0.007 0.000 1.351 167 V CA 0.148 62.450 62.300 0.004 0.000 1.073 167 V CB -0.340 31.536 31.823 0.088 0.000 0.863 167 V HN 0.328 nan 8.190 nan 0.000 0.436 168 V N -0.142 119.753 119.914 -0.033 0.000 2.769 168 V HA 1.009 5.129 4.120 0.001 0.000 0.312 168 V C -0.070 175.989 176.094 -0.059 0.000 1.058 168 V CA -0.286 61.987 62.300 -0.044 0.000 0.952 168 V CB 1.495 33.291 31.823 -0.045 0.000 1.019 168 V HN 0.555 nan 8.190 nan 0.000 0.445 169 E N 1.645 121.811 120.200 -0.057 0.000 2.299 169 E HA 0.768 5.119 4.350 0.001 0.000 0.260 169 E C -0.050 176.517 176.600 -0.056 0.000 0.944 169 E CA -0.212 56.154 56.400 -0.057 0.000 0.815 169 E CB 1.518 31.188 29.700 -0.050 0.000 1.252 169 E HN 2.402 nan 8.360 nan 0.000 0.418 170 V N -0.772 119.111 119.914 -0.052 0.000 2.617 170 V HA 0.491 4.612 4.120 0.001 0.000 0.304 170 V C 1.503 177.576 176.094 -0.035 0.000 1.040 170 V CA 0.955 63.230 62.300 -0.042 0.000 1.149 170 V CB -0.157 31.645 31.823 -0.036 0.000 0.914 170 V HN 2.271 nan 8.190 nan 0.000 0.487 171 G N 2.762 111.546 108.800 -0.028 0.000 2.217 171 G HA2 -0.248 3.712 3.960 0.001 0.000 0.246 171 G HA3 -0.248 3.712 3.960 0.001 0.000 0.246 171 G C 0.438 175.318 174.900 -0.034 0.000 0.990 171 G CA 0.137 45.222 45.100 -0.024 0.000 0.627 171 G HN 1.227 nan 8.290 nan 0.000 0.522 172 S N 1.972 117.644 115.700 -0.046 0.000 2.560 172 S HA 0.431 4.902 4.470 0.001 0.000 0.284 172 S C 0.577 175.138 174.600 -0.064 0.000 1.327 172 S CA 0.059 58.221 58.200 -0.064 0.000 1.055 172 S CB 0.981 64.141 63.200 -0.066 0.000 0.868 172 S HN 0.404 nan 8.310 nan 0.000 0.506 173 K N 2.007 122.345 120.400 -0.103 0.000 2.098 173 K HA 0.534 4.855 4.320 0.001 0.000 0.261 173 K C -0.358 176.128 176.600 -0.191 0.000 0.987 173 K CA -0.303 55.912 56.287 -0.119 0.000 0.916 173 K CB 1.045 33.451 32.500 -0.157 0.000 1.039 173 K HN 0.513 nan 8.250 nan 0.000 0.455 174 I N 2.513 123.021 120.570 -0.102 0.000 2.499 174 I HA 0.293 4.464 4.170 0.001 0.000 0.288 174 I C -0.722 175.463 176.117 0.114 0.000 1.048 174 I CA -0.868 60.391 61.300 -0.069 0.000 1.062 174 I CB 1.306 39.304 38.000 -0.002 0.000 1.238 174 I HN 0.422 nan 8.210 nan 0.000 0.426 175 Y N 4.823 125.137 120.300 0.023 0.000 2.360 175 Y HA 0.636 5.186 4.550 0.001 0.000 0.337 175 Y C -0.093 175.815 175.900 0.013 0.000 1.039 175 Y CA -1.286 56.826 58.100 0.021 0.000 1.109 175 Y CB 2.376 40.853 38.460 0.027 0.000 1.201 175 Y HN 0.171 nan 8.280 nan 0.000 0.458 176 V N 2.171 122.190 119.914 0.174 0.000 2.604 176 V HA 0.187 4.308 4.120 0.001 0.000 0.305 176 V C -0.601 175.531 176.094 0.063 0.000 1.043 176 V CA -0.917 61.439 62.300 0.093 0.000 0.888 176 V CB 1.540 33.406 31.823 0.071 0.000 0.995 176 V HN 0.913 nan 8.190 nan 0.000 0.429 177 D N 3.820 124.250 120.400 0.050 0.000 3.133 177 D HA -0.163 4.478 4.640 0.001 0.000 0.239 177 D C 0.210 176.526 176.300 0.028 0.000 1.136 177 D CA 0.986 55.007 54.000 0.035 0.000 0.898 177 D CB -0.882 39.936 40.800 0.029 0.000 0.959 177 D HN 0.891 nan 8.370 nan 0.000 0.415 178 D N 0.868 121.289 120.400 0.035 0.000 2.701 178 D HA -0.133 4.508 4.640 0.001 0.000 0.235 178 D C 1.400 177.701 176.300 0.002 0.000 1.155 178 D CA 2.667 56.683 54.000 0.028 0.000 0.649 178 D CB -1.342 39.470 40.800 0.020 0.000 1.050 178 D HN 1.110 nan 8.370 nan 0.000 0.425 179 G N -2.420 106.380 108.800 0.000 0.000 2.184 179 G HA2 -0.314 3.647 3.960 0.001 0.000 0.264 179 G HA3 -0.314 3.647 3.960 0.001 0.000 0.264 179 G C 1.688 176.497 174.900 -0.151 0.000 0.975 179 G CA 1.390 46.411 45.100 -0.131 0.000 0.642 179 G HN 1.301 nan 8.290 nan 0.000 0.536 180 L N -0.731 120.453 121.223 -0.064 0.000 2.079 180 L HA 0.539 4.879 4.340 0.001 0.000 0.210 180 L C 1.633 178.471 176.870 -0.052 0.000 1.081 180 L CA 2.393 57.202 54.840 -0.051 0.000 0.752 180 L CB -0.602 41.446 42.059 -0.018 0.000 0.896 180 L HN 0.528 nan 8.230 nan 0.000 0.433 181 I N -0.348 120.206 120.570 -0.027 0.000 2.404 181 I HA 0.491 4.662 4.170 0.001 0.000 0.293 181 I C 0.094 176.235 176.117 0.039 0.000 0.992 181 I CA -0.444 60.860 61.300 0.006 0.000 1.149 181 I CB 1.875 39.895 38.000 0.034 0.000 1.315 181 I HN 0.169 nan 8.210 nan 0.000 0.446 182 S N 7.391 123.123 115.700 0.053 0.000 2.478 182 S HA 0.750 5.221 4.470 0.001 0.000 0.312 182 S C -0.906 173.778 174.600 0.141 0.000 1.094 182 S CA -0.567 57.733 58.200 0.167 0.000 1.081 182 S CB 0.561 63.822 63.200 0.102 0.000 1.007 182 S HN 0.469 nan 8.310 nan 0.000 0.475 183 L N 3.843 125.160 121.223 0.158 0.000 2.342 183 L HA 0.624 4.964 4.340 0.001 0.000 0.271 183 L C -0.127 176.786 176.870 0.072 0.000 1.008 183 L CA -0.748 54.146 54.840 0.090 0.000 0.818 183 L CB 2.014 44.114 42.059 0.067 0.000 1.296 183 L HN 0.625 nan 8.230 nan 0.000 0.427 184 Q N 1.255 121.084 119.800 0.047 0.000 2.333 184 Q HA 0.462 4.803 4.340 0.001 0.000 0.267 184 Q C -1.316 174.691 176.000 0.012 0.000 1.012 184 Q CA -0.740 55.078 55.803 0.026 0.000 0.824 184 Q CB 2.516 31.270 28.738 0.028 0.000 1.290 184 Q HN 0.460 nan 8.270 nan 0.000 0.449 185 V N 5.033 124.944 119.914 -0.005 0.000 2.521 185 V HA 0.039 4.160 4.120 0.001 0.000 0.286 185 V C 0.652 176.739 176.094 -0.011 0.000 1.034 185 V CA 0.320 62.612 62.300 -0.013 0.000 1.045 185 V CB 0.981 32.783 31.823 -0.035 0.000 0.974 185 V HN 0.807 nan 8.190 nan 0.000 0.480 186 K N 2.864 123.263 120.400 -0.002 0.000 2.399 186 K HA 0.304 4.625 4.320 0.001 0.000 0.196 186 K C 0.622 177.220 176.600 -0.003 0.000 1.117 186 K CA 0.610 56.898 56.287 0.002 0.000 0.965 186 K CB 0.880 33.391 32.500 0.017 0.000 0.983 186 K HN 0.790 nan 8.250 nan 0.000 0.531 187 Q N 0.911 120.704 119.800 -0.011 0.000 2.295 187 Q HA 0.608 4.949 4.340 0.001 0.000 0.268 187 Q C -0.703 175.214 176.000 -0.138 0.000 1.010 187 Q CA -0.573 55.208 55.803 -0.037 0.000 0.856 187 Q CB 1.286 30.043 28.738 0.033 0.000 1.349 187 Q HN 0.198 nan 8.270 nan 0.000 0.412 192 F N -1.701 118.233 119.950 -0.027 0.000 2.817 192 F HA 0.816 5.344 4.527 0.001 0.000 0.317 192 F C -2.196 173.582 175.800 -0.037 0.000 1.168 192 F CA -1.654 56.327 58.000 -0.032 0.000 0.911 192 F CB 1.232 40.217 39.000 -0.025 0.000 1.337 192 F HN 0.038 nan 8.300 nan 0.000 0.464 193 L N 2.104 123.364 121.223 0.061 0.000 2.464 193 L HA 0.804 5.145 4.340 0.001 0.000 0.266 193 L C -0.647 176.322 176.870 0.166 0.000 0.965 193 L CA -1.189 53.626 54.840 -0.043 0.000 0.833 193 L CB 1.821 43.846 42.059 -0.057 0.000 1.296 193 L HN 1.000 nan 8.230 nan 0.000 0.405 194 V N 1.234 121.236 119.914 0.146 0.000 2.383 194 V HA 0.739 4.860 4.120 0.001 0.000 0.275 194 V C 0.365 176.496 176.094 0.062 0.000 1.036 194 V CA -0.052 62.332 62.300 0.141 0.000 0.889 194 V CB 1.364 33.283 31.823 0.161 0.000 0.985 194 V HN 0.710 nan 8.190 nan 0.000 0.459 195 T N 1.670 116.255 114.554 0.051 0.000 2.924 195 T HA 0.734 5.084 4.350 0.001 0.000 0.291 195 T C -0.583 174.137 174.700 0.033 0.000 1.045 195 T CA -0.570 61.550 62.100 0.034 0.000 1.015 195 T CB 1.983 70.869 68.868 0.031 0.000 1.103 195 T HN 0.890 nan 8.240 nan 0.000 0.496 196 E N 1.451 121.669 120.200 0.030 0.000 2.183 196 E HA 0.520 4.870 4.350 0.001 0.000 0.271 196 E C -0.927 175.693 176.600 0.034 0.000 0.919 196 E CA -0.996 55.421 56.400 0.029 0.000 0.781 196 E CB 1.809 31.524 29.700 0.025 0.000 1.140 196 E HN 0.579 nan 8.360 nan 0.000 0.402 197 V N 3.968 123.902 119.914 0.032 0.000 2.479 197 V HA 0.132 4.253 4.120 0.001 0.000 0.281 197 V C 1.233 177.348 176.094 0.035 0.000 1.031 197 V CA 1.219 63.541 62.300 0.036 0.000 1.038 197 V CB 0.463 32.304 31.823 0.030 0.000 0.981 197 V HN 0.947 nan 8.190 nan 0.000 0.478 198 E N 3.419 123.646 120.200 0.044 0.000 2.132 198 E HA 0.131 4.482 4.350 0.001 0.000 0.193 198 E C 1.078 177.695 176.600 0.029 0.000 0.951 198 E CA 0.936 57.361 56.400 0.040 0.000 0.843 198 E CB -0.280 29.455 29.700 0.058 0.000 0.807 198 E HN 0.904 nan 8.360 nan 0.000 0.467 199 N N 0.321 119.037 118.700 0.027 0.000 2.442 199 N HA 0.568 5.308 4.740 0.001 0.000 0.274 199 N C 0.211 175.726 175.510 0.007 0.000 1.002 199 N CA -0.161 52.892 53.050 0.005 0.000 0.910 199 N CB 1.545 40.019 38.487 -0.022 0.000 1.244 199 N HN 0.596 nan 8.380 nan 0.000 0.492 200 G N -0.646 108.158 108.800 0.007 0.000 2.522 200 G HA2 0.908 4.869 3.960 0.001 0.000 0.304 200 G HA3 0.908 4.869 3.960 0.001 0.000 0.304 200 G C 0.495 175.398 174.900 0.005 0.000 1.210 200 G CA -0.090 45.016 45.100 0.010 0.000 0.960 200 G HN 1.470 nan 8.290 nan 0.000 0.497 201 G N -2.365 106.441 108.800 0.009 0.000 2.315 201 G HA2 0.575 4.535 3.960 0.001 0.000 0.294 201 G HA3 0.575 4.535 3.960 0.001 0.000 0.294 201 G C -0.431 174.477 174.900 0.013 0.000 1.300 201 G CA 0.167 45.271 45.100 0.008 0.000 0.843 201 G HN 1.442 nan 8.290 nan 0.000 0.527 202 S N -1.045 114.663 115.700 0.013 0.000 2.405 202 S HA 0.804 5.275 4.470 0.001 0.000 0.291 202 S C 0.575 175.188 174.600 0.021 0.000 1.137 202 S CA 0.420 58.629 58.200 0.016 0.000 1.061 202 S CB -0.362 62.846 63.200 0.014 0.000 1.001 202 S HN 2.217 nan 8.310 nan 0.000 0.507 203 L N 2.650 123.889 121.223 0.026 0.000 2.397 203 L HA 0.918 5.259 4.340 0.001 0.000 0.271 203 L C 0.809 177.701 176.870 0.036 0.000 1.148 203 L CA -0.072 54.788 54.840 0.034 0.000 0.825 203 L CB 0.409 42.492 42.059 0.040 0.000 1.117 203 L HN 1.011 nan 8.230 nan 0.000 0.456 204 G N 0.398 109.222 108.800 0.041 0.000 3.211 204 G HA2 0.837 4.798 3.960 0.001 0.000 0.262 204 G HA3 0.837 4.798 3.960 0.001 0.000 0.262 204 G C 0.120 175.053 174.900 0.055 0.000 1.352 204 G CA 0.124 45.249 45.100 0.042 0.000 1.004 204 G HN 1.611 nan 8.290 nan 0.000 0.559 205 S N -1.758 113.975 115.700 0.054 0.000 2.585 205 S HA 0.659 5.129 4.470 0.001 0.000 0.277 205 S C 0.751 175.393 174.600 0.070 0.000 1.241 205 S CA 0.738 58.979 58.200 0.069 0.000 1.041 205 S CB 0.215 63.450 63.200 0.058 0.000 0.987 205 S HN 2.169 nan 8.310 nan 0.000 0.512 206 K N -1.031 119.424 120.400 0.092 0.000 3.419 206 K HA 0.189 4.510 4.320 0.001 0.000 0.272 206 K C 0.084 176.721 176.600 0.062 0.000 0.973 206 K CA 1.945 58.283 56.287 0.085 0.000 0.749 206 K CB -2.889 29.657 32.500 0.076 0.000 1.403 206 K HN 2.071 nan 8.250 nan 0.000 0.456 207 K N 0.254 120.688 120.400 0.057 0.000 2.159 207 K HA 0.808 5.129 4.320 0.001 0.000 0.266 207 K C 0.853 177.470 176.600 0.027 0.000 0.975 207 K CA -0.139 56.173 56.287 0.042 0.000 0.865 207 K CB 1.383 33.909 32.500 0.044 0.000 1.087 207 K HN 1.690 nan 8.250 nan 0.000 0.446 208 G N 0.550 109.361 108.800 0.018 0.000 2.441 208 G HA2 0.468 4.429 3.960 0.001 0.000 0.243 208 G HA3 0.468 4.429 3.960 0.001 0.000 0.243 208 G C -0.457 174.445 174.900 0.004 0.000 1.281 208 G CA -0.135 44.962 45.100 -0.005 0.000 0.854 208 G HN 0.657 nan 8.290 nan 0.000 0.560 209 V N 2.605 122.505 119.914 -0.024 0.000 2.555 209 V HA 0.412 4.533 4.120 0.001 0.000 0.302 209 V C -0.369 175.714 176.094 -0.020 0.000 1.038 209 V CA -0.961 61.337 62.300 -0.004 0.000 0.887 209 V CB 2.012 33.824 31.823 -0.018 0.000 0.991 209 V HN 0.821 nan 8.190 nan 0.000 0.434 210 N N 3.432 122.153 118.700 0.036 0.000 2.238 210 N HA 0.718 5.459 4.740 0.001 0.000 0.302 210 N C -1.282 174.210 175.510 -0.031 0.000 1.072 210 N CA -0.655 52.415 53.050 0.034 0.000 0.792 210 N CB 2.252 40.815 38.487 0.127 0.000 1.425 210 N HN 0.541 nan 8.380 nan 0.000 0.478 211 L N 1.975 123.180 121.223 -0.029 0.000 2.445 211 L HA 0.472 4.813 4.340 0.001 0.000 0.252 211 L C -2.380 174.442 176.870 -0.079 0.000 1.105 211 L CA -1.825 52.969 54.840 -0.077 0.000 0.943 211 L CB 0.782 42.842 42.059 0.002 0.000 1.277 211 L HN 0.251 nan 8.230 nan 0.000 0.465 212 P HA 0.031 nan 4.420 nan 0.000 0.261 212 P C 1.109 178.329 177.300 -0.133 0.000 1.183 212 P CA 0.877 63.926 63.100 -0.086 0.000 0.761 212 P CB 0.906 32.471 31.700 -0.224 0.000 0.785 213 G N 1.879 110.601 108.800 -0.130 0.000 2.184 213 G HA2 -0.214 3.746 3.960 0.001 0.000 0.264 213 G HA3 -0.214 3.746 3.960 0.001 0.000 0.264 213 G C 0.435 175.262 174.900 -0.121 0.000 0.975 213 G CA 0.139 45.056 45.100 -0.305 0.000 0.642 213 G HN 0.885 nan 8.290 nan 0.000 0.536 214 A N 0.059 122.847 122.820 -0.052 0.000 2.340 214 A HA 0.832 5.153 4.320 0.001 0.000 0.268 214 A C 0.781 178.368 177.584 0.006 0.000 1.100 214 A CA 0.790 52.817 52.037 -0.016 0.000 0.803 214 A CB 0.909 19.917 19.000 0.013 0.000 1.043 214 A HN 1.969 nan 8.150 nan 0.000 0.488 215 A N 2.495 125.320 122.820 0.009 0.000 2.807 215 A HA 0.498 4.819 4.320 0.001 0.000 0.307 215 A C 0.047 177.665 177.584 0.056 0.000 1.532 215 A CA -0.313 51.731 52.037 0.011 0.000 1.215 215 A CB -0.819 18.183 19.000 0.003 0.000 1.127 215 A HN 0.823 nan 8.150 nan 0.000 0.543 216 V N 3.123 123.078 119.914 0.068 0.000 2.529 216 V HA 0.033 4.154 4.120 0.001 0.000 0.292 216 V C 0.948 177.116 176.094 0.122 0.000 1.028 216 V CA 0.743 63.118 62.300 0.125 0.000 1.074 216 V CB 0.882 32.802 31.823 0.162 0.000 0.958 216 V HN 0.967 nan 8.190 nan 0.000 0.481 217 D N 3.659 124.182 120.400 0.205 0.000 2.363 217 D HA 0.082 4.723 4.640 0.001 0.000 0.214 217 D C 0.479 176.878 176.300 0.166 0.000 1.093 217 D CA -0.317 53.783 54.000 0.167 0.000 0.837 217 D CB -0.111 40.783 40.800 0.158 0.000 0.948 217 D HN 0.426 nan 8.370 nan 0.000 0.507 218 L N 1.206 122.499 121.223 0.117 0.000 2.536 218 L HA 0.068 4.408 4.340 0.001 0.000 0.294 218 L C -1.505 175.417 176.870 0.086 0.000 1.257 218 L CA -0.946 53.932 54.840 0.064 0.000 0.850 218 L CB -0.277 41.741 42.059 -0.068 0.000 1.105 218 L HN 0.020 nan 8.230 nan 0.000 0.517 219 P HA -0.025 nan 4.420 nan 0.000 0.269 219 P C 0.126 177.468 177.300 0.070 0.000 1.209 219 P CA -0.106 63.033 63.100 0.064 0.000 0.776 219 P CB 0.750 32.483 31.700 0.054 0.000 0.876 220 A N 3.175 126.030 122.820 0.058 0.000 1.958 220 A HA -0.091 4.229 4.320 0.001 0.000 0.221 220 A C 1.105 178.726 177.584 0.061 0.000 1.178 220 A CA 2.258 54.328 52.037 0.055 0.000 0.642 220 A CB -1.087 17.933 19.000 0.034 0.000 0.816 220 A HN 0.580 nan 8.150 nan 0.000 0.453 221 V N -2.921 117.022 119.914 0.049 0.000 2.789 221 V HA 0.682 4.803 4.120 0.001 0.000 0.311 221 V C -0.097 176.019 176.094 0.036 0.000 1.073 221 V CA -0.483 61.842 62.300 0.042 0.000 0.921 221 V CB 1.333 33.176 31.823 0.033 0.000 1.009 221 V HN 0.611 nan 8.190 nan 0.000 0.426 222 S N 1.835 117.553 115.700 0.029 0.000 2.655 222 S HA 0.598 5.069 4.470 0.001 0.000 0.265 222 S C 1.318 175.937 174.600 0.032 0.000 1.240 222 S CA 0.422 58.637 58.200 0.025 0.000 0.986 222 S CB 1.201 64.409 63.200 0.013 0.000 0.985 222 S HN 1.708 nan 8.310 nan 0.000 0.562 223 E N 0.732 120.951 120.200 0.032 0.000 2.085 223 E HA -0.185 4.166 4.350 0.001 0.000 0.194 223 E C 1.925 178.550 176.600 0.041 0.000 0.994 223 E CA 1.868 58.289 56.400 0.035 0.000 0.801 223 E CB -0.924 28.796 29.700 0.032 0.000 0.743 223 E HN 0.820 nan 8.360 nan 0.000 0.453 224 K N 0.111 120.536 120.400 0.041 0.000 2.026 224 K HA -0.214 4.106 4.320 0.001 0.000 0.208 224 K C 1.884 178.530 176.600 0.077 0.000 1.048 224 K CA 1.696 58.018 56.287 0.058 0.000 0.929 224 K CB -0.248 32.283 32.500 0.052 0.000 0.713 224 K HN 0.306 nan 8.250 nan 0.000 0.439 225 D N 0.935 121.367 120.400 0.053 0.000 2.133 225 D HA -0.206 4.435 4.640 0.001 0.000 0.195 225 D C 1.965 178.283 176.300 0.030 0.000 0.997 225 D CA 1.415 55.436 54.000 0.035 0.000 0.840 225 D CB -0.240 40.576 40.800 0.026 0.000 0.947 225 D HN 0.331 nan 8.370 nan 0.000 0.452 226 I N 0.876 121.470 120.570 0.040 0.000 2.179 226 I HA -0.275 3.895 4.170 0.001 0.000 0.242 226 I C 2.510 178.665 176.117 0.064 0.000 1.088 226 I CA 0.977 62.302 61.300 0.041 0.000 1.357 226 I CB -0.123 37.902 38.000 0.041 0.000 1.051 226 I HN -0.057 nan 8.210 nan 0.000 0.409 227 Q N 0.394 120.250 119.800 0.094 0.000 2.084 227 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 227 Q C 1.850 177.989 176.000 0.231 0.000 0.978 227 Q CA 1.547 57.448 55.803 0.163 0.000 0.844 227 Q CB -0.530 28.299 28.738 0.152 0.000 0.898 227 Q HN 0.508 nan 8.270 nan 0.000 0.426 228 D N 0.314 120.815 120.400 0.169 0.000 2.144 228 D HA -0.076 4.564 4.640 0.001 0.000 0.200 228 D C 2.139 178.364 176.300 -0.125 0.000 0.978 228 D CA 0.619 54.628 54.000 0.015 0.000 0.833 228 D CB -0.121 40.637 40.800 -0.071 0.000 0.961 228 D HN 0.184 nan 8.370 nan 0.000 0.470 229 L N 0.530 121.709 121.223 -0.074 0.000 2.056 229 L HA -0.120 4.220 4.340 0.001 0.000 0.207 229 L C 2.344 179.186 176.870 -0.047 0.000 1.078 229 L CA 0.889 55.674 54.840 -0.091 0.000 0.749 229 L CB -0.187 41.839 42.059 -0.054 0.000 0.901 229 L HN -0.106 nan 8.230 nan 0.000 0.433 230 K N -0.257 120.155 120.400 0.021 0.000 2.057 230 K HA -0.177 4.144 4.320 0.001 0.000 0.207 230 K C 2.047 178.678 176.600 0.052 0.000 1.049 230 K CA 1.373 57.684 56.287 0.041 0.000 0.931 230 K CB -0.650 31.898 32.500 0.080 0.000 0.714 230 K HN 0.160 nan 8.250 nan 0.000 0.440 231 F N 1.722 121.621 119.950 -0.085 0.000 2.161 231 F HA -0.152 4.376 4.527 0.001 0.000 0.300 231 F C 2.025 177.727 175.800 -0.163 0.000 1.089 231 F CA 1.764 59.675 58.000 -0.148 0.000 1.282 231 F CB -0.573 38.173 39.000 -0.423 0.000 1.010 231 F HN 0.064 nan 8.300 nan 0.000 0.485 232 G N -0.210 108.444 108.800 -0.243 0.000 2.402 232 G HA2 -0.185 3.776 3.960 0.001 0.000 0.216 232 G HA3 -0.185 3.776 3.960 0.001 0.000 0.216 232 G C 1.762 176.508 174.900 -0.256 0.000 1.162 232 G CA 1.051 45.960 45.100 -0.318 0.000 0.777 232 G HN 0.334 nan 8.290 nan 0.000 0.539 233 V N 0.822 120.635 119.914 -0.168 0.000 2.295 233 V HA -0.205 3.915 4.120 0.001 0.000 0.246 233 V C 2.686 178.695 176.094 -0.141 0.000 1.049 233 V CA 2.304 64.533 62.300 -0.119 0.000 1.024 233 V CB -0.588 31.196 31.823 -0.065 0.000 0.648 233 V HN 0.472 nan 8.190 nan 0.000 0.447 234 E N -0.321 119.777 120.200 -0.169 0.000 2.070 234 E HA -0.256 4.095 4.350 0.001 0.000 0.197 234 E C 2.193 178.651 176.600 -0.236 0.000 1.004 234 E CA 1.327 57.626 56.400 -0.169 0.000 0.805 234 E CB -0.169 29.438 29.700 -0.155 0.000 0.744 234 E HN 0.522 nan 8.360 nan 0.000 0.451 235 Q N 0.422 119.974 119.800 -0.414 0.000 2.444 235 Q HA -0.064 4.277 4.340 0.001 0.000 0.206 235 Q C -0.193 175.679 176.000 -0.213 0.000 0.948 235 Q CA 0.492 56.066 55.803 -0.381 0.000 0.946 235 Q CB 0.206 28.556 28.738 -0.647 0.000 1.027 235 Q HN 0.225 nan 8.270 nan 0.000 0.513 236 D N -0.139 120.158 120.400 -0.171 0.000 2.716 236 D HA -0.142 4.499 4.640 0.001 0.000 0.239 236 D C -0.262 175.983 176.300 -0.091 0.000 1.125 236 D CA 0.590 54.529 54.000 -0.101 0.000 0.681 236 D CB -1.299 39.462 40.800 -0.066 0.000 1.070 236 D HN 0.145 nan 8.370 nan 0.000 0.432 237 V N -2.639 117.201 119.914 -0.124 0.000 3.051 237 V HA 0.346 4.467 4.120 0.001 0.000 0.306 237 V C 1.397 177.446 176.094 -0.075 0.000 1.083 237 V CA 0.289 62.523 62.300 -0.109 0.000 1.104 237 V CB 1.333 33.062 31.823 -0.155 0.000 1.027 237 V HN 0.039 nan 8.190 nan 0.000 0.483 238 D N 2.071 122.435 120.400 -0.060 0.000 2.301 238 D HA 0.184 4.825 4.640 0.001 0.000 0.206 238 D C 0.609 176.892 176.300 -0.029 0.000 0.979 238 D CA 1.454 55.441 54.000 -0.021 0.000 0.874 238 D CB 0.492 41.300 40.800 0.013 0.000 0.968 238 D HN 0.828 nan 8.370 nan 0.000 0.510 239 M N -1.650 117.896 119.600 -0.089 0.000 2.643 239 M HA 0.438 4.918 4.480 0.001 0.000 0.276 239 M C -1.988 174.189 176.300 -0.206 0.000 1.200 239 M CA -0.888 54.358 55.300 -0.091 0.000 0.863 239 M CB 2.726 35.313 32.600 -0.023 0.000 1.711 239 M HN -0.420 nan 8.290 nan 0.000 0.492 240 V N 2.251 122.091 119.914 -0.124 0.000 2.540 240 V HA 0.565 4.685 4.120 0.001 0.000 0.302 240 V C -1.336 174.799 176.094 0.068 0.000 1.035 240 V CA -0.390 61.829 62.300 -0.135 0.000 0.873 240 V CB 1.913 33.692 31.823 -0.074 0.000 0.992 240 V HN 0.681 nan 8.190 nan 0.000 0.428 241 F N 3.442 123.378 119.950 -0.023 0.000 2.335 241 F HA 0.634 5.161 4.527 0.001 0.000 0.365 241 F C 0.762 176.558 175.800 -0.006 0.000 1.122 241 F CA -1.508 56.486 58.000 -0.010 0.000 1.151 241 F CB 0.747 39.751 39.000 0.007 0.000 1.282 241 F HN 0.512 nan 8.300 nan 0.000 0.513 242 A N 2.725 125.643 122.820 0.164 0.000 2.302 242 A HA 0.516 4.837 4.320 0.001 0.000 0.295 242 A C 0.448 178.091 177.584 0.099 0.000 1.235 242 A CA -0.361 51.731 52.037 0.092 0.000 0.876 242 A CB -0.043 18.986 19.000 0.049 0.000 1.133 242 A HN 0.595 nan 8.150 nan 0.000 0.533 243 S N 1.180 116.948 115.700 0.113 0.000 2.564 243 S HA 0.393 4.864 4.470 0.001 0.000 0.278 243 S C 0.195 174.923 174.600 0.213 0.000 1.333 243 S CA 0.072 58.359 58.200 0.145 0.000 1.048 243 S CB -0.242 63.034 63.200 0.127 0.000 0.900 243 S HN 1.199 nan 8.310 nan 0.000 0.505 244 F N 0.936 120.885 119.950 -0.002 0.000 3.056 244 F HA -0.168 4.360 4.527 0.001 0.000 0.301 244 F C -0.444 175.345 175.800 -0.019 0.000 0.907 244 F CA -0.351 57.640 58.000 -0.014 0.000 1.113 244 F CB -0.870 38.115 39.000 -0.025 0.000 1.123 244 F HN 0.402 nan 8.300 nan 0.000 0.661 245 I N 1.904 122.426 120.570 -0.080 0.000 2.471 245 I HA 0.080 4.251 4.170 0.001 0.000 0.286 245 I C 1.325 177.311 176.117 -0.218 0.000 1.079 245 I CA 0.509 61.734 61.300 -0.124 0.000 1.398 245 I CB 1.261 39.214 38.000 -0.079 0.000 1.403 245 I HN 0.365 nan 8.210 nan 0.000 0.530 246 R N 4.687 125.051 120.500 -0.227 0.000 2.394 246 R HA 0.186 4.527 4.340 0.001 0.000 0.220 246 R C -0.337 175.877 176.300 -0.144 0.000 0.887 246 R CA 0.177 56.138 56.100 -0.233 0.000 1.034 246 R CB 0.676 30.802 30.300 -0.289 0.000 1.179 246 R HN 0.638 nan 8.270 nan 0.000 0.561 247 K N -2.573 117.748 120.400 -0.132 0.000 2.625 247 K HA 0.454 4.775 4.320 0.001 0.000 0.284 247 K C -0.186 176.324 176.600 -0.149 0.000 0.984 247 K CA -0.290 55.929 56.287 -0.113 0.000 0.865 247 K CB 0.958 33.413 32.500 -0.077 0.000 1.468 247 K HN -0.149 nan 8.250 nan 0.000 0.407 248 A N 1.096 123.817 122.820 -0.166 0.000 1.948 248 A HA -0.224 4.097 4.320 0.001 0.000 0.220 248 A C 2.142 179.478 177.584 -0.414 0.000 1.177 248 A CA 2.591 54.446 52.037 -0.304 0.000 0.636 248 A CB -1.145 17.728 19.000 -0.212 0.000 0.815 248 A HN 0.881 nan 8.150 nan 0.000 0.449 249 S N 0.038 115.664 115.700 -0.123 0.000 2.399 249 S HA -0.183 4.287 4.470 0.001 0.000 0.231 249 S C 1.379 175.964 174.600 -0.024 0.000 1.022 249 S CA 1.373 59.592 58.200 0.032 0.000 0.983 249 S CB -0.498 62.748 63.200 0.078 0.000 0.803 249 S HN 0.530 nan 8.310 nan 0.000 0.480 250 D N 1.803 122.160 120.400 -0.073 0.000 2.123 250 D HA -0.060 4.581 4.640 0.001 0.000 0.196 250 D C 2.158 178.416 176.300 -0.070 0.000 0.992 250 D CA 1.310 55.279 54.000 -0.053 0.000 0.833 250 D CB -0.568 40.194 40.800 -0.063 0.000 0.954 250 D HN 0.399 nan 8.370 nan 0.000 0.455 251 V N 0.688 120.507 119.914 -0.159 0.000 2.358 251 V HA -0.234 3.887 4.120 0.001 0.000 0.246 251 V C 2.037 178.082 176.094 -0.083 0.000 1.047 251 V CA 1.660 63.868 62.300 -0.154 0.000 1.035 251 V CB -0.851 30.825 31.823 -0.246 0.000 0.658 251 V HN 0.299 nan 8.190 nan 0.000 0.452 252 H N 0.312 119.371 119.070 -0.018 0.000 2.387 252 H HA -0.138 4.419 4.556 0.001 0.000 0.299 252 H C 2.420 177.744 175.328 -0.006 0.000 1.099 252 H CA 1.619 57.659 56.048 -0.013 0.000 1.315 252 H CB 0.086 29.840 29.762 -0.013 0.000 1.380 252 H HN 0.543 nan 8.280 nan 0.000 0.513 253 E N 0.462 120.726 120.200 0.107 0.000 2.106 253 E HA -0.116 4.235 4.350 0.001 0.000 0.192 253 E C 2.377 179.002 176.600 0.042 0.000 0.984 253 E CA 1.125 57.563 56.400 0.063 0.000 0.806 253 E CB 0.012 29.741 29.700 0.048 0.000 0.750 253 E HN 0.270 nan 8.360 nan 0.000 0.458 254 V N 1.543 121.473 119.914 0.028 0.000 2.343 254 V HA -0.261 3.860 4.120 0.001 0.000 0.247 254 V C 2.450 178.555 176.094 0.019 0.000 1.051 254 V CA 1.987 64.297 62.300 0.016 0.000 1.036 254 V CB -0.532 31.294 31.823 0.005 0.000 0.654 254 V HN 0.123 nan 8.190 nan 0.000 0.451 255 R N 0.898 121.418 120.500 0.034 0.000 2.081 255 R HA -0.179 4.162 4.340 0.001 0.000 0.235 255 R C 2.311 178.630 176.300 0.031 0.000 1.131 255 R CA 2.031 58.154 56.100 0.038 0.000 0.960 255 R CB -0.485 29.856 30.300 0.069 0.000 0.856 255 R HN 0.532 nan 8.270 nan 0.000 0.436 256 K N -0.446 119.976 120.400 0.038 0.000 2.026 256 K HA -0.099 4.222 4.320 0.001 0.000 0.208 256 K C 1.758 178.369 176.600 0.020 0.000 1.048 256 K CA 1.691 57.994 56.287 0.027 0.000 0.929 256 K CB -0.055 32.464 32.500 0.031 0.000 0.713 256 K HN 0.100 nan 8.250 nan 0.000 0.439 257 V N 1.775 121.701 119.914 0.020 0.000 2.343 257 V HA -0.242 3.879 4.120 0.001 0.000 0.247 257 V C 2.277 178.375 176.094 0.007 0.000 1.051 257 V CA 1.595 63.904 62.300 0.015 0.000 1.036 257 V CB -0.362 31.469 31.823 0.014 0.000 0.654 257 V HN 0.328 nan 8.190 nan 0.000 0.451 258 L N -0.307 120.918 121.223 0.002 0.000 2.141 258 L HA 0.146 4.487 4.340 0.001 0.000 0.209 258 L C 1.609 178.478 176.870 -0.002 0.000 1.094 258 L CA 0.987 55.822 54.840 -0.008 0.000 0.763 258 L CB -1.132 40.920 42.059 -0.012 0.000 0.908 258 L HN 0.569 nan 8.230 nan 0.000 0.437 259 G N 0.522 109.325 108.800 0.005 0.000 2.641 259 G HA2 -0.429 3.532 3.960 0.001 0.000 0.254 259 G HA3 -0.429 3.532 3.960 0.001 0.000 0.254 259 G C 0.514 175.416 174.900 0.003 0.000 1.315 259 G CA 0.568 45.672 45.100 0.006 0.000 0.907 259 G HN 0.332 nan 8.290 nan 0.000 0.572 260 E N -0.180 120.021 120.200 0.003 0.000 2.106 260 E HA -0.033 4.318 4.350 0.001 0.000 0.192 260 E C 2.701 179.301 176.600 -0.000 0.000 0.984 260 E CA 2.302 58.703 56.400 0.002 0.000 0.806 260 E CB -0.194 29.507 29.700 0.002 0.000 0.750 260 E HN 0.421 nan 8.360 nan 0.000 0.458 261 K N -0.844 119.554 120.400 -0.003 0.000 2.148 261 K HA 0.063 4.384 4.320 0.001 0.000 0.204 261 K C 1.936 178.529 176.600 -0.011 0.000 1.050 261 K CA 1.003 57.285 56.287 -0.007 0.000 0.942 261 K CB -0.650 31.845 32.500 -0.009 0.000 0.724 261 K HN 0.408 nan 8.250 nan 0.000 0.446 262 G N 1.628 110.421 108.800 -0.012 0.000 3.434 262 G HA2 -0.006 3.955 3.960 0.001 0.000 0.258 262 G HA3 -0.006 3.955 3.960 0.001 0.000 0.258 262 G C 1.099 175.996 174.900 -0.006 0.000 1.128 262 G CA -0.099 44.992 45.100 -0.016 0.000 0.792 262 G HN 0.587 nan 8.290 nan 0.000 0.539 263 K N -0.269 120.132 120.400 0.001 0.000 2.283 263 K HA 0.042 4.362 4.320 0.001 0.000 0.202 263 K C 1.176 177.784 176.600 0.014 0.000 1.048 263 K CA 0.705 56.996 56.287 0.008 0.000 0.948 263 K CB 0.016 32.521 32.500 0.009 0.000 0.742 263 K HN 0.030 nan 8.250 nan 0.000 0.458 264 N N 0.874 119.581 118.700 0.013 0.000 2.336 264 N HA 0.149 4.890 4.740 0.001 0.000 0.189 264 N C 0.030 175.556 175.510 0.026 0.000 1.113 264 N CA 0.137 53.200 53.050 0.023 0.000 0.858 264 N CB 0.296 38.796 38.487 0.022 0.000 0.970 264 N HN 0.218 nan 8.380 nan 0.000 0.471 265 I N 2.044 122.621 120.570 0.011 0.000 2.471 265 I HA -0.004 4.167 4.170 0.001 0.000 0.286 265 I C 0.435 176.562 176.117 0.016 0.000 1.079 265 I CA -0.249 61.052 61.300 0.002 0.000 1.398 265 I CB 0.551 38.536 38.000 -0.025 0.000 1.403 265 I HN -0.345 nan 8.210 nan 0.000 0.530 266 K N 7.458 127.876 120.400 0.029 0.000 2.322 266 K HA 0.408 4.729 4.320 0.001 0.000 0.283 266 K C -0.412 176.211 176.600 0.038 0.000 1.042 266 K CA -0.146 56.168 56.287 0.045 0.000 0.958 266 K CB 0.989 33.527 32.500 0.065 0.000 0.984 266 K HN 0.489 nan 8.250 nan 0.000 0.473 267 I N 4.444 125.035 120.570 0.035 0.000 2.321 267 I HA 0.196 4.367 4.170 0.001 0.000 0.291 267 I C -0.036 176.108 176.117 0.044 0.000 0.998 267 I CA -0.634 60.688 61.300 0.037 0.000 1.227 267 I CB 0.890 38.898 38.000 0.013 0.000 1.368 267 I HN 0.193 nan 8.210 nan 0.000 0.466 268 I N 5.312 125.943 120.570 0.101 0.000 2.354 268 I HA 0.235 4.406 4.170 0.001 0.000 0.286 268 I C 0.209 176.354 176.117 0.047 0.000 1.007 268 I CA -0.235 61.110 61.300 0.075 0.000 1.167 268 I CB 1.192 39.291 38.000 0.165 0.000 1.320 268 I HN 0.453 nan 8.210 nan 0.000 0.458 269 S N 6.427 122.118 115.700 -0.015 0.000 2.499 269 S HA 0.266 4.737 4.470 0.001 0.000 0.275 269 S C 0.259 174.849 174.600 -0.017 0.000 1.257 269 S CA -0.590 57.597 58.200 -0.022 0.000 1.050 269 S CB 0.563 63.721 63.200 -0.071 0.000 0.937 269 S HN 0.362 nan 8.310 nan 0.000 0.490 270 K N 3.002 123.406 120.400 0.006 0.000 2.285 270 K HA 0.286 4.607 4.320 0.001 0.000 0.286 270 K C -0.520 176.085 176.600 0.008 0.000 1.072 270 K CA -0.271 56.018 56.287 0.004 0.000 0.913 270 K CB 0.403 32.926 32.500 0.039 0.000 1.067 270 K HN 0.424 nan 8.250 nan 0.000 0.479 271 I N 3.766 124.342 120.570 0.009 0.000 2.312 271 I HA 0.069 4.240 4.170 0.001 0.000 0.291 271 I C 0.745 176.856 176.117 -0.009 0.000 1.031 271 I CA 0.376 61.681 61.300 0.008 0.000 1.293 271 I CB 0.875 38.919 38.000 0.073 0.000 1.403 271 I HN 0.785 nan 8.210 nan 0.000 0.484 272 E N 4.106 124.294 120.200 -0.019 0.000 2.606 272 E HA 0.066 4.417 4.350 0.001 0.000 0.224 272 E C -0.107 176.499 176.600 0.011 0.000 0.930 272 E CA -0.072 56.345 56.400 0.029 0.000 1.125 272 E CB 0.830 30.621 29.700 0.153 0.000 1.123 272 E HN 0.757 nan 8.360 nan 0.000 0.522 273 N N -1.130 117.531 118.700 -0.064 0.000 3.141 273 N HA 0.073 4.814 4.740 0.001 0.000 0.267 273 N C 0.317 175.772 175.510 -0.092 0.000 1.521 273 N CA -0.462 52.550 53.050 -0.064 0.000 0.860 273 N CB 0.416 38.899 38.487 -0.007 0.000 1.531 273 N HN -0.230 nan 8.380 nan 0.000 0.563 274 H N -0.247 118.796 119.070 -0.046 0.000 2.353 274 H HA -0.020 4.537 4.556 0.001 0.000 0.300 274 H C 1.445 176.737 175.328 -0.060 0.000 1.090 274 H CA 2.366 58.385 56.048 -0.048 0.000 1.327 274 H CB 0.280 30.019 29.762 -0.040 0.000 1.383 274 H HN 0.757 nan 8.280 nan 0.000 0.508 275 E N 0.111 120.340 120.200 0.048 0.000 2.077 275 E HA -0.159 4.192 4.350 0.001 0.000 0.193 275 E C 2.559 179.134 176.600 -0.042 0.000 0.989 275 E CA 0.951 57.340 56.400 -0.019 0.000 0.800 275 E CB -0.266 29.392 29.700 -0.070 0.000 0.746 275 E HN 0.554 nan 8.360 nan 0.000 0.452 276 G N 0.468 109.217 108.800 -0.084 0.000 2.440 276 G HA2 -0.252 3.709 3.960 0.001 0.000 0.218 276 G HA3 -0.252 3.709 3.960 0.001 0.000 0.218 276 G C 1.647 176.571 174.900 0.040 0.000 1.154 276 G CA 1.031 46.095 45.100 -0.059 0.000 0.767 276 G HN 0.239 nan 8.290 nan 0.000 0.552 277 V N 0.521 120.443 119.914 0.014 0.000 2.358 277 V HA -0.143 3.978 4.120 0.001 0.000 0.246 277 V C 2.918 179.045 176.094 0.054 0.000 1.047 277 V CA 2.042 64.350 62.300 0.014 0.000 1.035 277 V CB -0.438 31.339 31.823 -0.077 0.000 0.658 277 V HN 0.308 nan 8.190 nan 0.000 0.452 278 R N -0.123 120.400 120.500 0.039 0.000 2.090 278 R HA 0.029 4.370 4.340 0.001 0.000 0.228 278 R C 1.896 178.222 176.300 0.043 0.000 1.110 278 R CA 0.838 56.960 56.100 0.035 0.000 0.973 278 R CB -0.152 30.163 30.300 0.025 0.000 0.869 278 R HN 0.416 nan 8.270 nan 0.000 0.440 279 R N -0.073 120.447 120.500 0.034 0.000 2.568 279 R HA 0.064 4.404 4.340 0.001 0.000 0.288 279 R C 0.786 177.093 176.300 0.012 0.000 1.077 279 R CA -0.226 55.878 56.100 0.007 0.000 1.102 279 R CB 0.005 30.286 30.300 -0.032 0.000 1.278 279 R HN 0.144 nan 8.270 nan 0.000 0.560 280 F N 1.979 121.891 119.950 -0.063 0.000 2.126 280 F HA -0.236 4.291 4.527 0.001 0.000 0.299 280 F C 1.494 177.259 175.800 -0.058 0.000 1.096 280 F CA 1.787 59.747 58.000 -0.067 0.000 1.255 280 F CB 0.181 39.141 39.000 -0.067 0.000 0.997 280 F HN 0.028 nan 8.300 nan 0.000 0.479 281 D N 0.344 120.741 120.400 -0.006 0.000 2.104 281 D HA -0.245 4.396 4.640 0.001 0.000 0.194 281 D C 2.151 178.345 176.300 -0.177 0.000 0.994 281 D CA 1.898 55.846 54.000 -0.086 0.000 0.830 281 D CB -0.614 40.192 40.800 0.009 0.000 0.959 281 D HN 0.688 nan 8.370 nan 0.000 0.452 282 E N 0.420 120.538 120.200 -0.137 0.000 2.152 282 E HA -0.091 4.260 4.350 0.001 0.000 0.192 282 E C 2.225 178.705 176.600 -0.199 0.000 0.983 282 E CA 0.509 56.832 56.400 -0.129 0.000 0.818 282 E CB -0.387 29.265 29.700 -0.080 0.000 0.758 282 E HN 0.255 nan 8.360 nan 0.000 0.467 283 I N 0.748 121.154 120.570 -0.272 0.000 2.202 283 I HA -0.222 3.949 4.170 0.001 0.000 0.242 283 I C 2.481 178.376 176.117 -0.370 0.000 1.091 283 I CA 0.664 61.774 61.300 -0.317 0.000 1.368 283 I CB -0.219 37.587 38.000 -0.323 0.000 1.058 283 I HN 0.178 nan 8.210 nan 0.000 0.410 284 L N 0.903 121.793 121.223 -0.554 0.000 2.012 284 L HA -0.243 4.097 4.340 0.001 0.000 0.210 284 L C 2.494 179.217 176.870 -0.244 0.000 1.073 284 L CA 1.965 56.515 54.840 -0.484 0.000 0.748 284 L CB -0.911 40.776 42.059 -0.622 0.000 0.891 284 L HN 0.251 nan 8.230 nan 0.000 0.431 285 E N -0.059 120.024 120.200 -0.195 0.000 2.118 285 E HA -0.221 4.129 4.350 0.001 0.000 0.195 285 E C 1.919 178.473 176.600 -0.077 0.000 0.992 285 E CA 1.435 57.774 56.400 -0.101 0.000 0.804 285 E CB -0.081 29.579 29.700 -0.067 0.000 0.741 285 E HN 0.612 nan 8.360 nan 0.000 0.458 286 A N 0.316 123.067 122.820 -0.116 0.000 2.119 286 A HA 0.060 4.381 4.320 0.001 0.000 0.216 286 A C 1.405 178.935 177.584 -0.089 0.000 1.152 286 A CA 0.347 52.324 52.037 -0.100 0.000 0.708 286 A CB 0.103 18.931 19.000 -0.286 0.000 0.805 286 A HN 0.146 nan 8.150 nan 0.000 0.460 287 S N -0.150 115.484 115.700 -0.111 0.000 2.713 287 S HA 0.307 4.778 4.470 0.001 0.000 0.283 287 S C 0.059 174.631 174.600 -0.046 0.000 1.161 287 S CA -0.555 57.595 58.200 -0.084 0.000 0.999 287 S CB 1.032 64.162 63.200 -0.117 0.000 1.039 287 S HN 0.385 nan 8.310 nan 0.000 0.548 288 D N 0.375 120.762 120.400 -0.023 0.000 2.333 288 D HA 0.253 4.893 4.640 0.001 0.000 0.208 288 D C 0.848 177.123 176.300 -0.042 0.000 0.984 288 D CA 0.568 54.566 54.000 -0.003 0.000 0.873 288 D CB 0.380 41.195 40.800 0.026 0.000 0.935 288 D HN 0.635 nan 8.370 nan 0.000 0.521 289 G N -0.222 108.541 108.800 -0.063 0.000 2.340 289 G HA2 0.418 4.379 3.960 0.001 0.000 0.299 289 G HA3 0.418 4.379 3.960 0.001 0.000 0.299 289 G C -1.880 172.975 174.900 -0.075 0.000 1.291 289 G CA -0.635 44.410 45.100 -0.091 0.000 0.841 289 G HN -0.069 nan 8.290 nan 0.000 0.500 290 I N 0.526 121.053 120.570 -0.071 0.000 2.686 290 I HA 0.513 4.684 4.170 0.001 0.000 0.295 290 I C -0.455 175.603 176.117 -0.097 0.000 1.114 290 I CA -0.632 60.648 61.300 -0.034 0.000 1.038 290 I CB 2.029 40.091 38.000 0.105 0.000 1.238 290 I HN 0.660 nan 8.210 nan 0.000 0.420 291 M N 5.487 125.018 119.600 -0.116 0.000 2.227 291 M HA 0.441 4.922 4.480 0.001 0.000 0.335 291 M C -1.280 174.968 176.300 -0.087 0.000 1.053 291 M CA -0.706 54.492 55.300 -0.170 0.000 0.973 291 M CB 1.590 34.022 32.600 -0.280 0.000 1.623 291 M HN 0.285 nan 8.290 nan 0.000 0.434 292 V N 5.324 125.185 119.914 -0.087 0.000 2.370 292 V HA 0.233 4.354 4.120 0.001 0.000 0.257 292 V C 0.602 176.657 176.094 -0.064 0.000 1.064 292 V CA -0.262 61.995 62.300 -0.071 0.000 0.975 292 V CB 0.163 31.936 31.823 -0.082 0.000 1.067 292 V HN 0.886 nan 8.190 nan 0.000 0.485 293 A N 6.001 128.794 122.820 -0.045 0.000 3.078 293 A HA 0.330 4.650 4.320 0.001 0.000 0.279 293 A C 1.494 179.071 177.584 -0.012 0.000 1.594 293 A CA -0.402 51.620 52.037 -0.024 0.000 1.301 293 A CB -0.370 18.631 19.000 0.002 0.000 1.162 293 A HN 0.849 nan 8.150 nan 0.000 0.585 294 R N 0.843 121.332 120.500 -0.019 0.000 2.120 294 R HA -0.123 4.218 4.340 0.001 0.000 0.234 294 R C 2.306 178.607 176.300 0.002 0.000 1.123 294 R CA 1.307 57.398 56.100 -0.014 0.000 0.975 294 R CB -0.157 30.135 30.300 -0.012 0.000 0.866 294 R HN 0.672 nan 8.270 nan 0.000 0.446 295 G N 1.776 110.583 108.800 0.012 0.000 2.587 295 G HA2 -0.316 3.645 3.960 0.001 0.000 0.217 295 G HA3 -0.316 3.645 3.960 0.001 0.000 0.217 295 G C 0.845 175.763 174.900 0.030 0.000 1.240 295 G CA 1.341 46.455 45.100 0.023 0.000 0.794 295 G HN 0.199 nan 8.290 nan 0.000 0.580 296 D N -0.200 120.224 120.400 0.040 0.000 2.144 296 D HA -0.051 4.589 4.640 0.001 0.000 0.199 296 D C 2.389 178.720 176.300 0.052 0.000 0.984 296 D CA 0.286 54.321 54.000 0.059 0.000 0.834 296 D CB -0.290 40.560 40.800 0.084 0.000 0.955 296 D HN 0.168 nan 8.370 nan 0.000 0.465 297 L N 0.534 121.769 121.223 0.021 0.000 2.046 297 L HA 0.003 4.344 4.340 0.001 0.000 0.208 297 L C 2.150 179.009 176.870 -0.019 0.000 1.077 297 L CA 1.732 56.561 54.840 -0.018 0.000 0.747 297 L CB -0.847 41.182 42.059 -0.049 0.000 0.896 297 L HN 0.083 nan 8.230 nan 0.000 0.432 298 G N -1.330 107.470 108.800 -0.001 0.000 2.679 298 G HA2 -0.116 3.845 3.960 0.001 0.000 0.212 298 G HA3 -0.116 3.845 3.960 0.001 0.000 0.212 298 G C 1.501 176.419 174.900 0.030 0.000 1.137 298 G CA 0.659 45.764 45.100 0.009 0.000 0.787 298 G HN 0.471 nan 8.290 nan 0.000 0.534 299 I N -0.282 120.321 120.570 0.054 0.000 2.585 299 I HA 0.036 4.207 4.170 0.001 0.000 0.254 299 I C 2.450 178.699 176.117 0.221 0.000 1.129 299 I CA 0.534 61.891 61.300 0.096 0.000 1.455 299 I CB 0.089 38.147 38.000 0.097 0.000 1.111 299 I HN 0.032 nan 8.210 nan 0.000 0.433 300 E N 1.260 121.559 120.200 0.165 0.000 2.112 300 E HA 0.051 4.402 4.350 0.001 0.000 0.190 300 E C 0.845 177.543 176.600 0.163 0.000 0.979 300 E CA 0.681 57.190 56.400 0.181 0.000 0.814 300 E CB 0.278 30.031 29.700 0.088 0.000 0.762 300 E HN 0.508 nan 8.360 nan 0.000 0.460 301 I N -1.630 118.945 120.570 0.009 0.000 2.797 301 I HA 0.469 4.640 4.170 0.001 0.000 0.307 301 I C -2.694 173.457 176.117 0.058 0.000 1.033 301 I CA -2.971 58.302 61.300 -0.045 0.000 1.071 301 I CB 1.941 39.735 38.000 -0.344 0.000 1.255 301 I HN -0.350 nan 8.210 nan 0.000 0.445 302 P HA 0.050 nan 4.420 nan 0.000 0.262 302 P C 0.350 177.673 177.300 0.039 0.000 1.182 302 P CA 0.176 63.319 63.100 0.071 0.000 0.761 302 P CB 1.033 32.780 31.700 0.077 0.000 0.795 303 A N 4.826 127.668 122.820 0.036 0.000 1.978 303 A HA -0.206 4.114 4.320 0.001 0.000 0.220 303 A C 1.777 179.402 177.584 0.069 0.000 1.170 303 A CA 1.487 53.546 52.037 0.036 0.000 0.636 303 A CB -0.867 18.147 19.000 0.024 0.000 0.810 303 A HN 0.662 nan 8.150 nan 0.000 0.448 304 E N 0.434 120.684 120.200 0.083 0.000 2.472 304 E HA -0.158 4.192 4.350 0.001 0.000 0.200 304 E C 1.090 177.816 176.600 0.210 0.000 1.046 304 E CA 1.210 57.698 56.400 0.148 0.000 0.871 304 E CB -0.240 29.531 29.700 0.118 0.000 0.806 304 E HN 0.660 nan 8.360 nan 0.000 0.533 305 K N 0.455 120.893 120.400 0.064 0.000 2.353 305 K HA 0.158 4.479 4.320 0.001 0.000 0.195 305 K C 1.863 178.341 176.600 -0.203 0.000 1.031 305 K CA 0.134 56.359 56.287 -0.102 0.000 1.079 305 K CB 0.729 33.175 32.500 -0.089 0.000 0.857 305 K HN -0.075 nan 8.250 nan 0.000 0.535 306 V N 1.897 121.778 119.914 -0.054 0.000 2.407 306 V HA -0.265 3.855 4.120 0.001 0.000 0.248 306 V C 2.041 178.079 176.094 -0.093 0.000 1.055 306 V CA 1.895 64.155 62.300 -0.068 0.000 1.049 306 V CB -0.640 31.183 31.823 0.000 0.000 0.662 306 V HN 0.356 nan 8.190 nan 0.000 0.455 307 F N 0.095 120.014 119.950 -0.052 0.000 2.216 307 F HA -0.095 4.433 4.527 0.001 0.000 0.300 307 F C 1.892 177.652 175.800 -0.066 0.000 1.085 307 F CA 1.390 59.358 58.000 -0.054 0.000 1.326 307 F CB -1.024 37.952 39.000 -0.041 0.000 1.027 307 F HN 0.083 nan 8.300 nan 0.000 0.497 308 L N 1.015 121.524 121.223 -1.189 0.000 2.056 308 L HA -0.101 4.240 4.340 0.001 0.000 0.207 308 L C 3.037 179.666 176.870 -0.402 0.000 1.078 308 L CA 1.207 55.571 54.840 -0.793 0.000 0.749 308 L CB -1.300 40.316 42.059 -0.739 0.000 0.901 308 L HN 0.327 nan 8.230 nan 0.000 0.433 309 A N -0.377 122.238 122.820 -0.341 0.000 1.902 309 A HA -0.292 4.029 4.320 0.001 0.000 0.217 309 A C 2.310 179.744 177.584 -0.250 0.000 1.181 309 A CA 2.013 53.889 52.037 -0.269 0.000 0.623 309 A CB -0.624 18.242 19.000 -0.224 0.000 0.818 309 A HN 0.522 nan 8.150 nan 0.000 0.443 310 Q N -0.330 119.358 119.800 -0.186 0.000 2.046 310 Q HA -0.199 4.142 4.340 0.001 0.000 0.200 310 Q C 2.002 177.921 176.000 -0.136 0.000 0.975 310 Q CA 1.885 57.606 55.803 -0.136 0.000 0.836 310 Q CB -0.139 28.563 28.738 -0.060 0.000 0.896 310 Q HN 0.662 nan 8.270 nan 0.000 0.428 311 K N -0.004 120.328 120.400 -0.114 0.000 2.057 311 K HA -0.126 4.195 4.320 0.001 0.000 0.206 311 K C 2.219 178.735 176.600 -0.140 0.000 1.050 311 K CA 1.340 57.573 56.287 -0.090 0.000 0.935 311 K CB -0.201 32.279 32.500 -0.034 0.000 0.715 311 K HN 0.289 nan 8.250 nan 0.000 0.439 312 M N 0.852 120.333 119.600 -0.197 0.000 2.065 312 M HA -0.205 4.276 4.480 0.001 0.000 0.259 312 M C 1.945 178.048 176.300 -0.328 0.000 1.069 312 M CA 1.903 57.060 55.300 -0.238 0.000 1.110 312 M CB -0.317 32.121 32.600 -0.270 0.000 1.328 312 M HN 0.211 nan 8.290 nan 0.000 0.405 313 M N -0.557 118.773 119.600 -0.450 0.000 2.175 313 M HA -0.176 4.305 4.480 0.001 0.000 0.264 313 M C 2.136 178.292 176.300 -0.239 0.000 1.063 313 M CA 1.329 56.257 55.300 -0.621 0.000 1.119 313 M CB -0.440 31.771 32.600 -0.649 0.000 1.377 313 M HN 0.262 nan 8.290 nan 0.000 0.415 314 I N -0.087 120.387 120.570 -0.159 0.000 2.252 314 I HA -0.179 3.992 4.170 0.001 0.000 0.245 314 I C 2.610 178.693 176.117 -0.057 0.000 1.102 314 I CA 1.349 62.601 61.300 -0.080 0.000 1.385 314 I CB -0.888 37.072 38.000 -0.067 0.000 1.064 314 I HN 0.349 nan 8.210 nan 0.000 0.414 315 G N 0.785 109.540 108.800 -0.075 0.000 2.459 315 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 315 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 315 G C 1.800 176.686 174.900 -0.024 0.000 1.183 315 G CA 0.468 45.537 45.100 -0.052 0.000 0.776 315 G HN 0.281 nan 8.290 nan 0.000 0.552 316 R N -0.615 119.874 120.500 -0.018 0.000 2.115 316 R HA -0.037 4.304 4.340 0.001 0.000 0.230 316 R C 2.663 179.029 176.300 0.110 0.000 1.111 316 R CA 1.125 57.268 56.100 0.072 0.000 0.976 316 R CB -0.628 29.775 30.300 0.172 0.000 0.870 316 R HN 0.395 nan 8.270 nan 0.000 0.445 317 C N 0.616 119.980 119.300 0.107 0.000 2.446 317 C HA -0.041 4.420 4.460 0.001 0.000 0.277 317 C C 2.213 177.216 174.990 0.021 0.000 1.275 317 C CA 0.657 59.719 59.018 0.075 0.000 1.727 317 C CB -1.176 26.602 27.740 0.062 0.000 2.010 317 C HN 0.573 nan 8.230 nan 0.000 0.486 318 N N 0.201 118.904 118.700 0.005 0.000 2.104 318 N HA -0.194 4.547 4.740 0.001 0.000 0.190 318 N C 2.043 177.543 175.510 -0.018 0.000 1.024 318 N CA 0.953 53.998 53.050 -0.008 0.000 0.853 318 N CB -0.266 38.216 38.487 -0.009 0.000 1.008 318 N HN 0.512 nan 8.380 nan 0.000 0.424 319 R N 0.981 121.477 120.500 -0.007 0.000 2.096 319 R HA -0.030 4.311 4.340 0.001 0.000 0.235 319 R C 1.844 178.137 176.300 -0.011 0.000 1.127 319 R CA 1.277 57.371 56.100 -0.010 0.000 0.968 319 R CB -0.052 30.249 30.300 0.003 0.000 0.861 319 R HN 0.160 nan 8.270 nan 0.000 0.440 320 A N -0.480 122.343 122.820 0.005 0.000 2.169 320 A HA 0.192 4.513 4.320 0.001 0.000 0.212 320 A C 1.337 178.922 177.584 0.002 0.000 1.153 320 A CA 0.736 52.776 52.037 0.005 0.000 0.756 320 A CB -0.103 18.905 19.000 0.012 0.000 0.813 320 A HN 0.543 nan 8.150 nan 0.000 0.471 321 G N -0.471 108.325 108.800 -0.007 0.000 2.179 321 G HA2 -0.272 3.688 3.960 0.001 0.000 0.257 321 G HA3 -0.272 3.688 3.960 0.001 0.000 0.257 321 G C 0.079 175.028 174.900 0.081 0.000 1.010 321 G CA 0.741 45.852 45.100 0.018 0.000 0.736 321 G HN 0.584 nan 8.290 nan 0.000 0.513 322 K N 0.564 120.982 120.400 0.030 0.000 2.164 322 K HA 0.484 4.805 4.320 0.001 0.000 0.258 322 K C -2.508 174.023 176.600 -0.115 0.000 0.951 322 K CA -2.199 54.079 56.287 -0.015 0.000 0.844 322 K CB 1.837 34.322 32.500 -0.024 0.000 1.099 322 K HN -0.054 nan 8.250 nan 0.000 0.435 323 P HA -0.027 nan 4.420 nan 0.000 0.266 323 P C -1.030 176.150 177.300 -0.200 0.000 1.195 323 P CA -0.255 62.619 63.100 -0.376 0.000 0.768 323 P CB 0.670 31.977 31.700 -0.655 0.000 0.838 324 V N 4.952 124.773 119.914 -0.154 0.000 2.709 324 V HA 0.521 4.642 4.120 0.001 0.000 0.308 324 V C -0.900 175.120 176.094 -0.123 0.000 1.062 324 V CA -0.880 61.356 62.300 -0.107 0.000 0.901 324 V CB 1.544 33.336 31.823 -0.052 0.000 1.003 324 V HN 0.287 nan 8.190 nan 0.000 0.425 325 I N 6.085 126.568 120.570 -0.145 0.000 2.404 325 I HA 0.450 4.621 4.170 0.001 0.000 0.293 325 I C -0.151 175.890 176.117 -0.126 0.000 0.992 325 I CA -0.359 60.846 61.300 -0.158 0.000 1.149 325 I CB 1.625 39.463 38.000 -0.271 0.000 1.315 325 I HN 0.640 nan 8.210 nan 0.000 0.446 326 C N 6.319 125.563 119.300 -0.092 0.000 2.369 326 C HA 0.869 5.330 4.460 0.001 0.000 0.358 326 C C 0.405 175.356 174.990 -0.065 0.000 1.274 326 C CA -0.093 58.883 59.018 -0.070 0.000 1.935 326 C CB -0.477 27.236 27.740 -0.045 0.000 2.431 326 C HN 0.872 nan 8.230 nan 0.000 0.545 327 A N 4.327 127.112 122.820 -0.058 0.000 2.469 327 A HA 0.925 5.246 4.320 0.001 0.000 0.299 327 A C -0.213 177.361 177.584 -0.017 0.000 1.098 327 A CA -0.152 51.859 52.037 -0.042 0.000 0.737 327 A CB 1.078 20.041 19.000 -0.062 0.000 1.312 327 A HN 1.442 nan 8.150 nan 0.000 0.414 328 T N 1.221 115.775 114.554 0.000 0.000 0.643 328 T HA -0.076 4.275 4.350 0.001 0.000 0.764 328 T C -0.006 174.701 174.700 0.013 0.000 0.990 328 T CA 0.582 62.689 62.100 0.012 0.000 4.027 328 T CB -1.451 67.424 68.868 0.012 0.000 2.276 328 T HN 1.541 nan 8.240 nan 0.000 0.395 329 Q N 0.106 119.918 119.800 0.019 0.000 2.494 329 Q HA -0.255 4.086 4.340 0.001 0.000 0.266 329 Q C 1.466 177.475 176.000 0.015 0.000 1.053 329 Q CA 1.444 57.258 55.803 0.018 0.000 1.029 329 Q CB -1.123 27.625 28.738 0.016 0.000 1.423 329 Q HN 0.847 nan 8.270 nan 0.000 0.516 330 M N -0.590 119.019 119.600 0.014 0.000 2.200 330 M HA -0.076 4.405 4.480 0.001 0.000 0.265 330 M C 1.189 177.497 176.300 0.013 0.000 1.066 330 M CA 1.427 56.734 55.300 0.011 0.000 1.127 330 M CB 0.200 32.806 32.600 0.009 0.000 1.379 330 M HN 0.243 nan 8.290 nan 0.000 0.420 331 L N -0.480 120.754 121.223 0.018 0.000 3.186 331 L HA 0.171 4.512 4.340 0.001 0.000 0.292 331 L C 1.168 178.053 176.870 0.025 0.000 1.303 331 L CA -0.350 54.502 54.840 0.019 0.000 0.940 331 L CB 0.237 42.310 42.059 0.024 0.000 1.358 331 L HN 0.079 nan 8.230 nan 0.000 0.581 332 E N 1.428 121.641 120.200 0.022 0.000 2.070 332 E HA -0.261 4.090 4.350 0.001 0.000 0.197 332 E C 2.188 178.806 176.600 0.031 0.000 1.004 332 E CA 2.172 58.588 56.400 0.027 0.000 0.805 332 E CB 0.148 29.861 29.700 0.021 0.000 0.744 332 E HN 0.496 nan 8.360 nan 0.000 0.451 333 S N -0.448 115.265 115.700 0.021 0.000 2.465 333 S HA -0.184 4.286 4.470 0.001 0.000 0.241 333 S C 1.826 176.445 174.600 0.032 0.000 1.000 333 S CA 1.342 59.554 58.200 0.020 0.000 0.964 333 S CB -0.398 62.805 63.200 0.005 0.000 0.763 333 S HN 0.333 nan 8.310 nan 0.000 0.512 334 M N 0.404 120.027 119.600 0.038 0.000 2.659 334 M HA 0.235 4.716 4.480 0.001 0.000 0.243 334 M C 1.530 177.919 176.300 0.148 0.000 1.111 334 M CA 0.420 55.758 55.300 0.062 0.000 1.070 334 M CB -0.502 32.124 32.600 0.044 0.000 1.525 334 M HN 0.343 nan 8.290 nan 0.000 0.517 335 I N 0.074 120.710 120.570 0.111 0.000 2.286 335 I HA -0.300 3.870 4.170 0.001 0.000 0.248 335 I C 2.175 178.383 176.117 0.152 0.000 1.115 335 I CA 1.393 62.759 61.300 0.110 0.000 1.392 335 I CB -0.147 37.892 38.000 0.065 0.000 1.065 335 I HN 0.164 nan 8.210 nan 0.000 0.418 336 K N -0.404 120.091 120.400 0.157 0.000 2.399 336 K HA 0.243 4.563 4.320 0.001 0.000 0.196 336 K C 0.377 177.141 176.600 0.275 0.000 1.103 336 K CA 0.151 56.546 56.287 0.180 0.000 0.986 336 K CB 0.315 32.873 32.500 0.096 0.000 0.952 336 K HN 0.313 nan 8.250 nan 0.000 0.541 337 K N 0.992 121.479 120.400 0.145 0.000 2.318 337 K HA 0.316 4.636 4.320 0.001 0.000 0.249 337 K C -2.446 173.846 176.600 -0.514 0.000 0.942 337 K CA -2.328 53.898 56.287 -0.101 0.000 0.808 337 K CB 2.004 34.460 32.500 -0.073 0.000 1.189 337 K HN -0.185 nan 8.250 nan 0.000 0.428 338 P HA -0.024 nan 4.420 nan 0.000 0.245 338 P C -0.445 176.632 177.300 -0.371 0.000 1.212 338 P CA 0.550 63.057 63.100 -0.987 0.000 0.774 338 P CB 0.535 31.729 31.700 -0.843 0.000 0.999 339 R N 0.345 120.700 120.500 -0.243 0.000 2.725 339 R HA 0.505 4.845 4.340 0.001 0.000 0.277 339 R C -2.713 173.536 176.300 -0.084 0.000 0.987 339 R CA -2.359 53.667 56.100 -0.124 0.000 0.901 339 R CB 1.350 31.594 30.300 -0.094 0.000 1.207 339 R HN 0.004 nan 8.270 nan 0.000 0.463 340 P HA 0.165 nan 4.420 nan 0.000 0.280 340 P C -0.165 177.119 177.300 -0.025 0.000 1.272 340 P CA -0.309 62.774 63.100 -0.029 0.000 0.819 340 P CB 0.597 32.288 31.700 -0.015 0.000 1.122 341 T N -0.944 113.600 114.554 -0.017 0.000 2.766 341 T HA 0.159 4.510 4.350 0.001 0.000 0.295 341 T C 1.477 176.168 174.700 -0.015 0.000 1.024 341 T CA -0.509 61.581 62.100 -0.016 0.000 1.018 341 T CB 0.319 69.180 68.868 -0.012 0.000 1.002 341 T HN 0.201 nan 8.240 nan 0.000 0.532 342 R N 0.814 121.304 120.500 -0.015 0.000 2.115 342 R HA 0.067 4.407 4.340 0.001 0.000 0.230 342 R C 2.626 178.917 176.300 -0.015 0.000 1.111 342 R CA 1.342 57.432 56.100 -0.015 0.000 0.976 342 R CB -1.763 28.528 30.300 -0.016 0.000 0.870 342 R HN 0.845 nan 8.270 nan 0.000 0.445 343 A N 1.266 124.077 122.820 -0.015 0.000 1.969 343 A HA -0.143 4.178 4.320 0.001 0.000 0.218 343 A C 2.015 179.593 177.584 -0.011 0.000 1.169 343 A CA 1.203 53.231 52.037 -0.015 0.000 0.635 343 A CB -0.217 18.774 19.000 -0.015 0.000 0.810 343 A HN 0.335 nan 8.150 nan 0.000 0.445 344 E N -0.559 119.636 120.200 -0.008 0.000 2.047 344 E HA -0.075 4.276 4.350 0.001 0.000 0.191 344 E C 2.201 178.799 176.600 -0.003 0.000 0.987 344 E CA 0.761 57.159 56.400 -0.003 0.000 0.799 344 E CB -0.413 29.286 29.700 -0.002 0.000 0.752 344 E HN 0.576 nan 8.360 nan 0.000 0.449 345 G N 0.766 109.562 108.800 -0.006 0.000 2.476 345 G HA2 -0.367 3.594 3.960 0.001 0.000 0.218 345 G HA3 -0.367 3.594 3.960 0.001 0.000 0.218 345 G C 1.654 176.552 174.900 -0.004 0.000 1.164 345 G CA 1.199 46.296 45.100 -0.005 0.000 0.768 345 G HN 0.326 nan 8.290 nan 0.000 0.560 346 S N 0.410 116.105 115.700 -0.007 0.000 2.368 346 S HA -0.187 4.283 4.470 0.001 0.000 0.225 346 S C 2.079 176.676 174.600 -0.004 0.000 1.030 346 S CA 2.087 60.283 58.200 -0.007 0.000 0.999 346 S CB -0.476 62.715 63.200 -0.014 0.000 0.844 346 S HN 0.424 nan 8.310 nan 0.000 0.459 347 D N 0.195 120.592 120.400 -0.004 0.000 2.097 347 D HA -0.081 4.559 4.640 0.001 0.000 0.195 347 D C 1.912 178.214 176.300 0.002 0.000 0.989 347 D CA 1.486 55.486 54.000 -0.001 0.000 0.827 347 D CB -0.295 40.505 40.800 0.000 0.000 0.966 347 D HN 0.315 nan 8.370 nan 0.000 0.456 348 V N 0.791 120.707 119.914 0.003 0.000 2.295 348 V HA -0.221 3.900 4.120 0.001 0.000 0.246 348 V C 2.597 178.694 176.094 0.006 0.000 1.049 348 V CA 1.884 64.187 62.300 0.004 0.000 1.024 348 V CB -1.041 30.786 31.823 0.006 0.000 0.648 348 V HN 0.347 nan 8.190 nan 0.000 0.447 349 A N 0.164 122.987 122.820 0.006 0.000 1.902 349 A HA -0.215 4.106 4.320 0.001 0.000 0.217 349 A C 2.091 179.686 177.584 0.018 0.000 1.181 349 A CA 1.917 53.961 52.037 0.012 0.000 0.623 349 A CB -0.646 18.360 19.000 0.011 0.000 0.818 349 A HN 0.591 nan 8.150 nan 0.000 0.443 350 N N 0.239 118.947 118.700 0.014 0.000 2.244 350 N HA -0.072 4.669 4.740 0.001 0.000 0.183 350 N C 1.889 177.407 175.510 0.014 0.000 1.016 350 N CA 1.243 54.303 53.050 0.017 0.000 0.866 350 N CB -0.353 38.141 38.487 0.011 0.000 0.980 350 N HN 0.481 nan 8.380 nan 0.000 0.430 351 A N 0.816 123.641 122.820 0.007 0.000 1.902 351 A HA -0.073 4.248 4.320 0.001 0.000 0.217 351 A C 2.509 180.093 177.584 0.000 0.000 1.181 351 A CA 1.163 53.200 52.037 -0.000 0.000 0.623 351 A CB -0.667 18.328 19.000 -0.007 0.000 0.818 351 A HN 0.088 nan 8.150 nan 0.000 0.443 352 V N 0.111 120.030 119.914 0.007 0.000 2.307 352 V HA -0.241 3.880 4.120 0.001 0.000 0.245 352 V C 2.531 178.637 176.094 0.021 0.000 1.045 352 V CA 1.929 64.237 62.300 0.014 0.000 1.024 352 V CB -0.811 31.023 31.823 0.020 0.000 0.651 352 V HN 0.564 nan 8.190 nan 0.000 0.449 353 L N -0.185 121.056 121.223 0.029 0.000 2.191 353 L HA -0.170 4.171 4.340 0.001 0.000 0.212 353 L C 2.268 179.148 176.870 0.017 0.000 1.103 353 L CA 1.243 56.105 54.840 0.038 0.000 0.769 353 L CB -0.700 41.398 42.059 0.064 0.000 0.908 353 L HN 0.330 nan 8.230 nan 0.000 0.438 354 D N 0.177 120.581 120.400 0.007 0.000 2.144 354 D HA -0.084 4.557 4.640 0.001 0.000 0.199 354 D C 1.687 177.979 176.300 -0.013 0.000 0.984 354 D CA 1.591 55.586 54.000 -0.008 0.000 0.834 354 D CB 0.073 40.867 40.800 -0.009 0.000 0.955 354 D HN 0.412 nan 8.370 nan 0.000 0.465 355 G N -0.812 107.985 108.800 -0.006 0.000 2.164 355 G HA2 -0.048 3.913 3.960 0.001 0.000 0.154 355 G HA3 -0.048 3.913 3.960 0.001 0.000 0.154 355 G C 0.316 175.210 174.900 -0.012 0.000 1.014 355 G CA 0.081 45.179 45.100 -0.004 0.000 0.683 355 G HN 0.526 nan 8.290 nan 0.000 0.500 356 A N 0.523 123.332 122.820 -0.019 0.000 2.548 356 A HA 0.463 4.784 4.320 0.001 0.000 0.247 356 A C 1.284 178.848 177.584 -0.032 0.000 1.067 356 A CA 1.000 53.016 52.037 -0.034 0.000 0.757 356 A CB 0.209 19.187 19.000 -0.037 0.000 0.996 356 A HN 0.315 nan 8.150 nan 0.000 0.504 357 D N 0.988 121.356 120.400 -0.055 0.000 2.117 357 D HA -0.045 4.596 4.640 0.001 0.000 0.198 357 D C 0.228 176.493 176.300 -0.057 0.000 0.982 357 D CA 1.314 55.278 54.000 -0.060 0.000 0.828 357 D CB 0.106 40.831 40.800 -0.124 0.000 0.967 357 D HN 0.566 nan 8.370 nan 0.000 0.464 358 C N 0.544 119.802 119.300 -0.070 0.000 2.707 358 C HA 0.630 5.090 4.460 0.001 0.000 0.313 358 C C 0.068 175.027 174.990 -0.052 0.000 1.209 358 C CA -1.047 57.938 59.018 -0.056 0.000 1.635 358 C CB 1.867 29.570 27.740 -0.061 0.000 2.206 358 C HN 0.178 nan 8.230 nan 0.000 0.485 359 I N 0.153 120.704 120.570 -0.033 0.000 2.797 359 I HA 0.840 5.011 4.170 0.001 0.000 0.307 359 I C -0.780 175.327 176.117 -0.016 0.000 1.033 359 I CA -0.836 60.448 61.300 -0.026 0.000 1.071 359 I CB 1.752 39.746 38.000 -0.010 0.000 1.255 359 I HN 0.710 nan 8.210 nan 0.000 0.445 360 M N 4.063 123.656 119.600 -0.011 0.000 2.550 360 M HA 0.634 5.115 4.480 0.001 0.000 0.292 360 M C -2.178 174.135 176.300 0.022 0.000 1.221 360 M CA -0.601 54.703 55.300 0.006 0.000 0.873 360 M CB 2.707 35.300 32.600 -0.013 0.000 1.727 360 M HN 0.646 nan 8.290 nan 0.000 0.459 361 L N 1.967 123.214 121.223 0.040 0.000 2.365 361 L HA 0.589 4.930 4.340 0.001 0.000 0.273 361 L C -0.299 176.608 176.870 0.061 0.000 1.000 361 L CA -0.304 54.564 54.840 0.046 0.000 0.819 361 L CB 2.248 44.335 42.059 0.047 0.000 1.284 361 L HN 0.806 nan 8.230 nan 0.000 0.418 362 S N 0.861 116.597 115.700 0.059 0.000 3.200 362 S HA 0.185 4.656 4.470 0.001 0.000 0.173 362 S C 1.531 176.170 174.600 0.065 0.000 0.768 362 S CA 0.396 58.639 58.200 0.070 0.000 1.018 362 S CB -0.134 63.106 63.200 0.067 0.000 0.769 362 S HN 0.869 nan 8.310 nan 0.000 0.736 363 G N 1.222 110.056 108.800 0.056 0.000 2.462 363 G HA2 -0.182 3.779 3.960 0.001 0.000 0.220 363 G HA3 -0.182 3.779 3.960 0.001 0.000 0.220 363 G C 0.993 175.924 174.900 0.051 0.000 1.121 363 G CA 1.121 46.251 45.100 0.049 0.000 0.758 363 G HN 0.541 nan 8.290 nan 0.000 0.559 364 E N 0.183 120.416 120.200 0.054 0.000 2.130 364 E HA -0.138 4.213 4.350 0.001 0.000 0.196 364 E C 2.732 179.370 176.600 0.063 0.000 0.998 364 E CA 1.941 58.378 56.400 0.062 0.000 0.806 364 E CB -0.267 29.469 29.700 0.060 0.000 0.738 364 E HN 0.621 nan 8.360 nan 0.000 0.459 365 T N -2.939 111.650 114.554 0.058 0.000 3.000 365 T HA 0.382 4.733 4.350 0.001 0.000 0.248 365 T C 1.948 176.680 174.700 0.053 0.000 1.034 365 T CA 0.237 62.370 62.100 0.055 0.000 1.060 365 T CB 0.155 69.055 68.868 0.055 0.000 0.983 365 T HN 0.150 nan 8.240 nan 0.000 0.482 366 A N 3.006 125.861 122.820 0.059 0.000 1.897 366 A HA 0.117 4.438 4.320 0.001 0.000 0.215 366 A C 2.201 179.813 177.584 0.048 0.000 1.181 366 A CA 1.517 53.593 52.037 0.065 0.000 0.620 366 A CB -0.297 18.748 19.000 0.076 0.000 0.821 366 A HN 0.662 nan 8.150 nan 0.000 0.443 367 K N -1.684 118.737 120.400 0.035 0.000 2.521 367 K HA 0.256 4.576 4.320 0.001 0.000 0.213 367 K C 0.749 177.353 176.600 0.006 0.000 1.223 367 K CA 0.424 56.721 56.287 0.018 0.000 1.013 367 K CB 0.088 32.595 32.500 0.011 0.000 1.017 367 K HN 0.260 nan 8.250 nan 0.000 0.591 368 G N 0.863 109.673 108.800 0.016 0.000 2.580 368 G HA2 0.095 4.056 3.960 0.001 0.000 0.278 368 G HA3 0.095 4.056 3.960 0.001 0.000 0.278 368 G C -0.247 174.628 174.900 -0.042 0.000 1.212 368 G CA -0.353 44.755 45.100 0.014 0.000 0.939 368 G HN 0.102 nan 8.290 nan 0.000 0.513 369 D N -1.218 119.123 120.400 -0.098 0.000 2.355 369 D HA 0.040 4.680 4.640 0.001 0.000 0.218 369 D C -0.172 175.747 176.300 -0.635 0.000 1.004 369 D CA 0.952 54.732 54.000 -0.367 0.000 0.880 369 D CB 0.250 40.758 40.800 -0.485 0.000 0.911 369 D HN 0.363 nan 8.370 nan 0.000 0.528 370 Y N -0.503 119.806 120.300 0.016 0.000 2.555 370 Y HA 0.206 4.757 4.550 0.001 0.000 0.317 370 Y C -1.673 174.238 175.900 0.018 0.000 0.928 370 Y CA -1.618 56.492 58.100 0.016 0.000 1.116 370 Y CB 1.153 39.623 38.460 0.015 0.000 1.169 370 Y HN -0.100 nan 8.280 nan 0.000 0.627 371 P HA -0.190 nan 4.420 nan 0.000 0.215 371 P C 1.447 178.793 177.300 0.076 0.000 1.153 371 P CA 1.548 64.692 63.100 0.073 0.000 0.853 371 P CB 0.627 32.351 31.700 0.040 0.000 0.788 372 L N -0.639 120.629 121.223 0.076 0.000 2.056 372 L HA -0.131 4.209 4.340 0.001 0.000 0.207 372 L C 2.573 179.487 176.870 0.073 0.000 1.078 372 L CA 1.570 56.448 54.840 0.064 0.000 0.749 372 L CB -1.037 41.056 42.059 0.057 0.000 0.901 372 L HN -0.064 nan 8.230 nan 0.000 0.433 373 E N 0.475 120.739 120.200 0.107 0.000 2.153 373 E HA -0.161 4.190 4.350 0.001 0.000 0.194 373 E C 2.250 178.891 176.600 0.069 0.000 0.988 373 E CA 1.255 57.707 56.400 0.086 0.000 0.811 373 E CB -0.256 29.498 29.700 0.090 0.000 0.746 373 E HN 0.440 nan 8.360 nan 0.000 0.466 374 A N 0.456 123.326 122.820 0.083 0.000 1.873 374 A HA -0.142 4.179 4.320 0.001 0.000 0.215 374 A C 2.450 180.068 177.584 0.057 0.000 1.186 374 A CA 1.331 53.407 52.037 0.065 0.000 0.616 374 A CB -0.731 18.312 19.000 0.072 0.000 0.823 374 A HN 0.143 nan 8.150 nan 0.000 0.442 375 V N 0.091 120.038 119.914 0.055 0.000 2.255 375 V HA -0.311 3.809 4.120 0.001 0.000 0.247 375 V C 2.624 178.758 176.094 0.066 0.000 1.051 375 V CA 2.399 64.728 62.300 0.047 0.000 1.018 375 V CB -0.906 30.933 31.823 0.026 0.000 0.641 375 V HN 0.531 nan 8.190 nan 0.000 0.445 376 R N -0.799 119.739 120.500 0.063 0.000 2.105 376 R HA -0.206 4.135 4.340 0.001 0.000 0.239 376 R C 2.235 178.609 176.300 0.125 0.000 1.135 376 R CA 1.982 58.138 56.100 0.093 0.000 0.967 376 R CB -0.441 29.899 30.300 0.067 0.000 0.861 376 R HN 0.430 nan 8.270 nan 0.000 0.442 377 M N 0.771 120.418 119.600 0.078 0.000 2.200 377 M HA -0.118 4.363 4.480 0.001 0.000 0.265 377 M C 1.822 178.154 176.300 0.055 0.000 1.066 377 M CA 1.701 57.035 55.300 0.056 0.000 1.127 377 M CB 0.014 32.632 32.600 0.031 0.000 1.379 377 M HN 0.032 nan 8.290 nan 0.000 0.420 378 Q N -1.383 118.455 119.800 0.063 0.000 2.124 378 Q HA -0.241 4.100 4.340 0.001 0.000 0.202 378 Q C 2.103 178.147 176.000 0.073 0.000 0.977 378 Q CA 1.907 57.742 55.803 0.054 0.000 0.850 378 Q CB -0.500 28.267 28.738 0.048 0.000 0.901 378 Q HN 0.737 nan 8.270 nan 0.000 0.429 379 H N 0.802 119.880 119.070 0.014 0.000 2.290 379 H HA -0.123 4.434 4.556 0.001 0.000 0.298 379 H C 1.856 177.201 175.328 0.028 0.000 1.087 379 H CA 1.793 57.854 56.048 0.021 0.000 1.291 379 H CB -0.221 29.554 29.762 0.022 0.000 1.369 379 H HN 0.105 nan 8.280 nan 0.000 0.492 380 L N -0.432 120.760 121.223 -0.052 0.000 2.027 380 L HA -0.108 4.233 4.340 0.001 0.000 0.206 380 L C 2.628 179.443 176.870 -0.092 0.000 1.074 380 L CA 1.261 56.031 54.840 -0.117 0.000 0.745 380 L CB -0.371 41.690 42.059 0.004 0.000 0.898 380 L HN 0.323 nan 8.230 nan 0.000 0.433 381 I N 0.088 120.635 120.570 -0.038 0.000 2.142 381 I HA -0.307 3.863 4.170 0.001 0.000 0.240 381 I C 2.868 178.967 176.117 -0.031 0.000 1.078 381 I CA 1.279 62.564 61.300 -0.024 0.000 1.343 381 I CB -0.581 37.416 38.000 -0.005 0.000 1.046 381 I HN 0.201 nan 8.210 nan 0.000 0.405 382 A N 0.765 123.564 122.820 -0.035 0.000 1.892 382 A HA -0.296 4.025 4.320 0.001 0.000 0.218 382 A C 2.444 180.010 177.584 -0.031 0.000 1.188 382 A CA 2.242 54.265 52.037 -0.023 0.000 0.631 382 A CB -0.764 18.228 19.000 -0.013 0.000 0.822 382 A HN 0.378 nan 8.150 nan 0.000 0.447 383 R N -0.666 119.779 120.500 -0.092 0.000 2.081 383 R HA -0.130 4.211 4.340 0.001 0.000 0.235 383 R C 2.067 178.352 176.300 -0.025 0.000 1.131 383 R CA 1.499 57.552 56.100 -0.077 0.000 0.960 383 R CB -0.179 30.007 30.300 -0.191 0.000 0.856 383 R HN 0.536 nan 8.270 nan 0.000 0.436 384 E N 0.249 120.431 120.200 -0.032 0.000 2.051 384 E HA -0.180 4.171 4.350 0.001 0.000 0.192 384 E C 1.897 178.512 176.600 0.025 0.000 0.991 384 E CA 1.405 57.804 56.400 -0.002 0.000 0.799 384 E CB -0.265 29.429 29.700 -0.010 0.000 0.748 384 E HN 0.464 nan 8.360 nan 0.000 0.449 385 A N 1.261 124.095 122.820 0.023 0.000 1.969 385 A HA -0.196 4.125 4.320 0.001 0.000 0.218 385 A C 2.008 179.634 177.584 0.071 0.000 1.169 385 A CA 1.475 53.538 52.037 0.044 0.000 0.635 385 A CB -0.404 18.615 19.000 0.032 0.000 0.810 385 A HN 0.196 nan 8.150 nan 0.000 0.445 386 E N -0.213 120.031 120.200 0.073 0.000 2.106 386 E HA -0.065 4.286 4.350 0.001 0.000 0.192 386 E C 2.243 178.953 176.600 0.182 0.000 0.984 386 E CA 0.923 57.393 56.400 0.117 0.000 0.806 386 E CB -0.264 29.502 29.700 0.109 0.000 0.750 386 E HN 0.621 nan 8.360 nan 0.000 0.458 387 A N 1.147 124.055 122.820 0.146 0.000 1.972 387 A HA -0.052 4.269 4.320 0.001 0.000 0.219 387 A C 2.253 179.960 177.584 0.206 0.000 1.169 387 A CA 1.489 53.631 52.037 0.175 0.000 0.635 387 A CB -0.390 18.674 19.000 0.105 0.000 0.810 387 A HN 0.272 nan 8.150 nan 0.000 0.446 388 A N -0.720 122.194 122.820 0.157 0.000 2.238 388 A HA 0.359 4.679 4.320 0.001 0.000 0.208 388 A C 0.848 178.611 177.584 0.299 0.000 1.177 388 A CA -0.261 51.879 52.037 0.173 0.000 0.804 388 A CB -0.471 18.580 19.000 0.085 0.000 0.823 388 A HN 0.470 nan 8.150 nan 0.000 0.482 389 I N -0.385 120.295 120.570 0.182 0.000 2.752 389 I HA -0.102 4.069 4.170 0.001 0.000 0.287 389 I C 0.343 176.470 176.117 0.017 0.000 1.188 389 I CA 0.077 61.390 61.300 0.022 0.000 1.427 389 I CB 0.354 38.170 38.000 -0.306 0.000 1.365 389 I HN 0.335 nan 8.210 nan 0.000 0.585 390 Y N 6.113 126.271 120.300 -0.237 0.000 2.724 390 Y HA 0.180 4.730 4.550 0.001 0.000 0.332 390 Y C 1.062 176.830 175.900 -0.220 0.000 1.276 390 Y CA -0.746 57.091 58.100 -0.438 0.000 1.597 390 Y CB -0.611 37.571 38.460 -0.463 0.000 1.584 390 Y HN 0.490 nan 8.280 nan 0.000 0.478 391 H N 1.613 120.646 119.070 -0.061 0.000 2.422 391 H HA -0.182 4.375 4.556 0.001 0.000 0.298 391 H C 1.930 177.046 175.328 -0.354 0.000 1.098 391 H CA 1.925 57.900 56.048 -0.122 0.000 1.315 391 H CB 0.154 29.888 29.762 -0.046 0.000 1.382 391 H HN 0.575 nan 8.280 nan 0.000 0.523 392 L N 0.657 121.625 121.223 -0.425 0.000 1.989 392 L HA -0.229 4.112 4.340 0.001 0.000 0.211 392 L C 2.376 178.970 176.870 -0.462 0.000 1.071 392 L CA 1.906 56.455 54.840 -0.485 0.000 0.749 392 L CB -0.567 41.181 42.059 -0.517 0.000 0.890 392 L HN 0.311 nan 8.230 nan 0.000 0.431 393 Q N -1.449 117.918 119.800 -0.721 0.000 2.096 393 Q HA -0.171 4.170 4.340 0.001 0.000 0.197 393 Q C 2.223 178.109 176.000 -0.189 0.000 0.964 393 Q CA 1.357 56.927 55.803 -0.388 0.000 0.838 393 Q CB -0.189 28.368 28.738 -0.302 0.000 0.906 393 Q HN 0.475 nan 8.270 nan 0.000 0.444 394 L N 0.437 121.566 121.223 -0.157 0.000 1.990 394 L HA -0.171 4.170 4.340 0.001 0.000 0.213 394 L C 2.052 178.965 176.870 0.072 0.000 1.072 394 L CA 1.981 56.806 54.840 -0.026 0.000 0.755 394 L CB -1.010 41.045 42.059 -0.006 0.000 0.889 394 L HN 0.408 nan 8.230 nan 0.000 0.432 395 F N 0.233 120.155 119.950 -0.046 0.000 2.134 395 F HA -0.235 4.293 4.527 0.001 0.000 0.299 395 F C 2.395 178.196 175.800 0.003 0.000 1.097 395 F CA 1.851 59.872 58.000 0.035 0.000 1.264 395 F CB -0.069 38.913 39.000 -0.029 0.000 1.001 395 F HN 0.242 nan 8.300 nan 0.000 0.479 396 E N 0.077 120.188 120.200 -0.149 0.000 2.058 396 E HA -0.261 4.090 4.350 0.001 0.000 0.194 396 E C 2.076 178.564 176.600 -0.187 0.000 0.997 396 E CA 1.881 58.152 56.400 -0.216 0.000 0.801 396 E CB -0.163 29.456 29.700 -0.135 0.000 0.746 396 E HN 0.604 nan 8.360 nan 0.000 0.450 397 E N 0.322 120.452 120.200 -0.116 0.000 2.107 397 E HA -0.133 4.218 4.350 0.001 0.000 0.191 397 E C 2.286 178.850 176.600 -0.059 0.000 0.982 397 E CA 0.483 56.836 56.400 -0.077 0.000 0.809 397 E CB -0.024 29.644 29.700 -0.053 0.000 0.756 397 E HN 0.237 nan 8.360 nan 0.000 0.459 398 L N 0.755 121.957 121.223 -0.036 0.000 2.042 398 L HA -0.223 4.118 4.340 0.001 0.000 0.210 398 L C 2.578 179.479 176.870 0.052 0.000 1.076 398 L CA 1.394 56.251 54.840 0.028 0.000 0.749 398 L CB -0.315 41.822 42.059 0.130 0.000 0.893 398 L HN 0.063 nan 8.230 nan 0.000 0.432 399 R N -0.706 119.744 120.500 -0.084 0.000 2.081 399 R HA -0.142 4.198 4.340 0.001 0.000 0.235 399 R C 2.419 178.675 176.300 -0.073 0.000 1.131 399 R CA 1.126 57.151 56.100 -0.125 0.000 0.960 399 R CB -0.286 29.774 30.300 -0.399 0.000 0.856 399 R HN 0.252 nan 8.270 nan 0.000 0.436 400 R N 0.542 120.989 120.500 -0.088 0.000 2.092 400 R HA -0.031 4.310 4.340 0.001 0.000 0.231 400 R C 1.764 178.048 176.300 -0.026 0.000 1.119 400 R CA 1.120 57.185 56.100 -0.058 0.000 0.970 400 R CB -0.037 30.225 30.300 -0.062 0.000 0.864 400 R HN 0.168 nan 8.270 nan 0.000 0.440 401 L N -0.026 121.188 121.223 -0.016 0.000 2.558 401 L HA 0.194 4.535 4.340 0.001 0.000 0.225 401 L C 0.434 177.314 176.870 0.016 0.000 1.128 401 L CA -0.296 54.543 54.840 -0.003 0.000 0.868 401 L CB 0.419 42.474 42.059 -0.007 0.000 1.006 401 L HN 0.043 nan 8.230 nan 0.000 0.454 402 A N 0.692 123.536 122.820 0.041 0.000 2.260 402 A HA 0.589 4.910 4.320 0.001 0.000 0.308 402 A C -2.166 175.455 177.584 0.062 0.000 1.254 402 A CA -1.324 50.760 52.037 0.078 0.000 0.874 402 A CB -0.231 18.885 19.000 0.195 0.000 1.153 402 A HN -0.071 nan 8.150 nan 0.000 0.527 403 P HA 0.281 nan 4.420 nan 0.000 0.266 403 P C 0.309 177.632 177.300 0.039 0.000 1.195 403 P CA 0.079 63.200 63.100 0.035 0.000 0.768 403 P CB 0.186 31.904 31.700 0.031 0.000 0.838 404 I N 1.824 122.408 120.570 0.024 0.000 2.662 404 I HA 0.364 4.535 4.170 0.001 0.000 0.285 404 I C 1.031 177.163 176.117 0.024 0.000 1.161 404 I CA 0.292 61.605 61.300 0.021 0.000 1.415 404 I CB -1.064 36.943 38.000 0.010 0.000 1.385 404 I HN 0.568 nan 8.210 nan 0.000 0.552 405 T N 1.298 115.870 114.554 0.030 0.000 2.883 405 T HA 0.719 5.070 4.350 0.001 0.000 0.296 405 T C 0.925 175.641 174.700 0.026 0.000 1.117 405 T CA 0.167 62.284 62.100 0.028 0.000 1.006 405 T CB 1.109 69.998 68.868 0.035 0.000 1.191 405 T HN 1.668 nan 8.240 nan 0.000 0.508 406 S N -0.541 115.173 115.700 0.024 0.000 2.603 406 S HA 0.233 4.704 4.470 0.001 0.000 0.220 406 S C 0.532 175.149 174.600 0.030 0.000 0.967 406 S CA -0.054 58.160 58.200 0.023 0.000 0.920 406 S CB -0.715 62.497 63.200 0.020 0.000 0.773 406 S HN 0.873 nan 8.310 nan 0.000 0.529 407 D N 1.628 122.047 120.400 0.033 0.000 2.401 407 D HA 0.246 4.886 4.640 0.001 0.000 0.254 407 D C -1.492 174.836 176.300 0.046 0.000 1.192 407 D CA -1.586 52.435 54.000 0.036 0.000 0.885 407 D CB 1.313 42.134 40.800 0.035 0.000 1.147 407 D HN 0.015 nan 8.370 nan 0.000 0.478 408 P HA -0.097 nan 4.420 nan 0.000 0.217 408 P C 1.154 178.499 177.300 0.076 0.000 1.151 408 P CA 0.908 64.051 63.100 0.071 0.000 0.828 408 P CB 0.192 31.957 31.700 0.109 0.000 0.788 409 T N -0.199 114.395 114.554 0.067 0.000 2.746 409 T HA -0.139 4.212 4.350 0.001 0.000 0.267 409 T C 1.663 176.408 174.700 0.076 0.000 1.039 409 T CA 1.314 63.453 62.100 0.065 0.000 1.142 409 T CB -0.591 68.298 68.868 0.034 0.000 0.866 409 T HN 0.310 nan 8.240 nan 0.000 0.444 410 E N 0.954 121.203 120.200 0.082 0.000 2.051 410 E HA -0.054 4.296 4.350 0.001 0.000 0.192 410 E C 2.595 179.250 176.600 0.091 0.000 0.991 410 E CA 0.966 57.440 56.400 0.123 0.000 0.799 410 E CB -0.217 29.558 29.700 0.124 0.000 0.748 410 E HN 0.468 nan 8.360 nan 0.000 0.449 411 A N 0.816 123.670 122.820 0.058 0.000 1.902 411 A HA -0.189 4.132 4.320 0.001 0.000 0.217 411 A C 2.377 179.975 177.584 0.022 0.000 1.181 411 A CA 1.974 54.027 52.037 0.027 0.000 0.623 411 A CB -0.920 18.097 19.000 0.028 0.000 0.818 411 A HN 0.196 nan 8.150 nan 0.000 0.443 412 T N 0.349 114.929 114.554 0.044 0.000 2.746 412 T HA -0.018 4.332 4.350 0.001 0.000 0.267 412 T C 2.197 176.921 174.700 0.040 0.000 1.039 412 T CA 1.559 63.686 62.100 0.046 0.000 1.142 412 T CB -0.441 68.468 68.868 0.068 0.000 0.866 412 T HN 0.602 nan 8.240 nan 0.000 0.444 413 A N 0.780 123.637 122.820 0.061 0.000 1.877 413 A HA -0.023 4.298 4.320 0.001 0.000 0.216 413 A C 2.579 180.184 177.584 0.035 0.000 1.186 413 A CA 1.364 53.455 52.037 0.090 0.000 0.620 413 A CB -1.160 17.948 19.000 0.181 0.000 0.822 413 A HN 0.328 nan 8.150 nan 0.000 0.443 414 V N 0.083 119.939 119.914 -0.095 0.000 2.343 414 V HA -0.125 3.996 4.120 0.001 0.000 0.247 414 V C 2.521 178.580 176.094 -0.058 0.000 1.051 414 V CA 2.371 64.493 62.300 -0.296 0.000 1.036 414 V CB -0.941 30.549 31.823 -0.555 0.000 0.654 414 V HN 0.578 nan 8.190 nan 0.000 0.451 415 G N -0.813 107.972 108.800 -0.026 0.000 2.440 415 G HA2 -0.249 3.712 3.960 0.001 0.000 0.218 415 G HA3 -0.249 3.712 3.960 0.001 0.000 0.218 415 G C 1.771 176.667 174.900 -0.008 0.000 1.154 415 G CA 1.056 46.159 45.100 0.004 0.000 0.767 415 G HN 0.711 nan 8.290 nan 0.000 0.552 416 A N 0.060 122.870 122.820 -0.016 0.000 1.902 416 A HA 0.064 4.384 4.320 0.001 0.000 0.217 416 A C 2.608 180.131 177.584 -0.101 0.000 1.181 416 A CA 1.923 53.935 52.037 -0.041 0.000 0.623 416 A CB -0.604 18.386 19.000 -0.017 0.000 0.818 416 A HN 0.274 nan 8.150 nan 0.000 0.443 417 V N -0.028 119.822 119.914 -0.106 0.000 2.358 417 V HA -0.205 3.916 4.120 0.001 0.000 0.246 417 V C 2.573 178.450 176.094 -0.362 0.000 1.047 417 V CA 2.309 64.448 62.300 -0.268 0.000 1.035 417 V CB -0.680 31.061 31.823 -0.137 0.000 0.658 417 V HN 0.738 nan 8.190 nan 0.000 0.452 418 E N 1.297 121.411 120.200 -0.144 0.000 2.051 418 E HA -0.201 4.149 4.350 0.001 0.000 0.192 418 E C 2.139 178.726 176.600 -0.022 0.000 0.991 418 E CA 1.879 58.267 56.400 -0.019 0.000 0.799 418 E CB -0.590 29.213 29.700 0.171 0.000 0.748 418 E HN 0.464 nan 8.360 nan 0.000 0.449 419 A N 0.429 123.224 122.820 -0.043 0.000 1.917 419 A HA -0.247 4.074 4.320 0.001 0.000 0.219 419 A C 2.451 179.977 177.584 -0.097 0.000 1.182 419 A CA 2.717 54.724 52.037 -0.049 0.000 0.633 419 A CB -1.233 17.739 19.000 -0.047 0.000 0.819 419 A HN 0.480 nan 8.150 nan 0.000 0.448 420 S N -1.082 114.501 115.700 -0.195 0.000 2.382 420 S HA -0.139 4.331 4.470 0.001 0.000 0.228 420 S C 1.716 176.144 174.600 -0.286 0.000 1.027 420 S CA 1.518 59.549 58.200 -0.282 0.000 0.991 420 S CB -0.726 62.230 63.200 -0.407 0.000 0.823 420 S HN 0.358 nan 8.310 nan 0.000 0.469 421 F N 2.287 122.119 119.950 -0.197 0.000 2.163 421 F HA 0.231 4.759 4.527 0.002 0.000 0.297 421 F C 2.542 178.278 175.800 -0.107 0.000 1.094 421 F CA 1.133 59.024 58.000 -0.181 0.000 1.290 421 F CB -0.688 38.163 39.000 -0.248 0.000 1.017 421 F HN 0.201 nan 8.300 nan 0.000 0.483 422 K N 0.860 121.313 120.400 0.089 0.000 2.152 422 K HA -0.162 4.158 4.320 0.001 0.000 0.206 422 K C 1.614 178.227 176.600 0.021 0.000 1.048 422 K CA 1.799 58.116 56.287 0.050 0.000 0.933 422 K CB -0.634 31.886 32.500 0.034 0.000 0.721 422 K HN 0.425 nan 8.250 nan 0.000 0.447 423 C N -2.232 117.064 119.300 -0.006 0.000 3.000 423 C HA 0.436 4.897 4.460 0.001 0.000 0.286 423 C C 0.692 175.666 174.990 -0.026 0.000 1.343 423 C CA -0.876 58.130 59.018 -0.019 0.000 1.742 423 C CB -1.904 25.815 27.740 -0.036 0.000 2.200 423 C HN 0.497 nan 8.230 nan 0.000 0.621 424 C N 3.869 123.159 119.300 -0.017 0.000 3.409 424 C HA -0.096 4.364 4.460 0.001 0.000 0.273 424 C C 1.088 176.043 174.990 -0.059 0.000 1.375 424 C CA 0.866 59.868 59.018 -0.026 0.000 2.175 424 C CB -2.968 24.777 27.740 0.007 0.000 1.410 424 C HN 1.090 nan 8.230 nan 0.000 0.550 425 S N 1.330 116.968 115.700 -0.102 0.000 2.579 425 S HA 0.448 4.919 4.470 0.001 0.000 0.275 425 S C 1.414 175.959 174.600 -0.091 0.000 1.345 425 S CA 0.340 58.472 58.200 -0.112 0.000 1.031 425 S CB 1.630 64.744 63.200 -0.143 0.000 0.892 425 S HN 1.419 nan 8.310 nan 0.000 0.529 426 G N 0.820 109.570 108.800 -0.083 0.000 2.572 426 G HA2 0.454 4.415 3.960 0.001 0.000 0.216 426 G HA3 0.454 4.415 3.960 0.001 0.000 0.216 426 G C 0.360 175.328 174.900 0.114 0.000 1.133 426 G CA 0.323 45.451 45.100 0.045 0.000 0.791 426 G HN 1.468 nan 8.290 nan 0.000 0.538 427 A N -1.030 121.781 122.820 -0.015 0.000 2.583 427 A HA 0.606 4.927 4.320 0.001 0.000 0.292 427 A C -1.652 175.904 177.584 -0.046 0.000 1.045 427 A CA -0.725 51.330 52.037 0.030 0.000 0.672 427 A CB 0.470 19.634 19.000 0.273 0.000 1.283 427 A HN 0.131 nan 8.150 nan 0.000 0.419 428 I N 1.769 122.327 120.570 -0.021 0.000 2.354 428 I HA 0.345 4.515 4.170 0.001 0.000 0.286 428 I C -0.647 175.487 176.117 0.029 0.000 1.007 428 I CA -0.231 61.055 61.300 -0.023 0.000 1.167 428 I CB 1.161 39.138 38.000 -0.037 0.000 1.320 428 I HN 0.467 nan 8.210 nan 0.000 0.458 429 I N 7.115 127.698 120.570 0.022 0.000 2.371 429 I HA 0.280 4.450 4.170 0.001 0.000 0.290 429 I C -0.417 175.723 176.117 0.038 0.000 1.028 429 I CA -0.428 60.901 61.300 0.048 0.000 1.345 429 I CB 1.161 39.184 38.000 0.039 0.000 1.407 429 I HN 0.209 nan 8.210 nan 0.000 0.501 430 V N 7.440 127.385 119.914 0.052 0.000 2.525 430 V HA 0.356 4.477 4.120 0.001 0.000 0.299 430 V C -0.001 176.121 176.094 0.047 0.000 1.034 430 V CA -0.669 61.656 62.300 0.041 0.000 0.863 430 V CB 1.805 33.647 31.823 0.033 0.000 0.999 430 V HN 0.468 nan 8.190 nan 0.000 0.423 431 L N 3.806 125.055 121.223 0.044 0.000 2.331 431 L HA 0.654 4.994 4.340 0.001 0.000 0.278 431 L C 0.276 177.169 176.870 0.039 0.000 1.106 431 L CA 0.349 55.219 54.840 0.050 0.000 0.824 431 L CB 1.421 43.508 42.059 0.046 0.000 1.142 431 L HN 0.743 nan 8.230 nan 0.000 0.443 432 T N 1.736 116.309 114.554 0.032 0.000 3.041 432 T HA 0.280 4.631 4.350 0.001 0.000 0.321 432 T C 0.310 175.014 174.700 0.007 0.000 1.184 432 T CA -0.614 61.486 62.100 -0.001 0.000 1.050 432 T CB 1.651 70.483 68.868 -0.061 0.000 1.159 432 T HN 0.674 nan 8.240 nan 0.000 0.469 433 K N 1.323 121.724 120.400 0.001 0.000 2.141 433 K HA 0.080 4.401 4.320 0.001 0.000 0.202 433 K C 2.116 178.709 176.600 -0.012 0.000 1.045 433 K CA 1.090 57.383 56.287 0.009 0.000 0.971 433 K CB 0.031 32.543 32.500 0.019 0.000 0.795 433 K HN 0.594 nan 8.250 nan 0.000 0.459 434 S N -0.833 114.838 115.700 -0.047 0.000 2.517 434 S HA 0.190 4.661 4.470 0.001 0.000 0.214 434 S C 1.490 176.020 174.600 -0.117 0.000 0.991 434 S CA 0.465 58.632 58.200 -0.056 0.000 0.906 434 S CB 0.687 63.851 63.200 -0.060 0.000 0.789 434 S HN 0.468 nan 8.310 nan 0.000 0.513 435 G N 1.144 109.814 108.800 -0.217 0.000 2.258 435 G HA2 -0.360 3.601 3.960 0.001 0.000 0.233 435 G HA3 -0.360 3.601 3.960 0.001 0.000 0.233 435 G C 1.077 175.333 174.900 -1.073 0.000 1.006 435 G CA 0.609 45.412 45.100 -0.496 0.000 0.620 435 G HN 0.589 nan 8.290 nan 0.000 0.511 436 R N 1.078 121.162 120.500 -0.694 0.000 2.081 436 R HA 0.046 4.387 4.340 0.001 0.000 0.235 436 R C 2.957 179.045 176.300 -0.353 0.000 1.131 436 R CA 2.766 58.538 56.100 -0.547 0.000 0.960 436 R CB -1.251 28.919 30.300 -0.217 0.000 0.856 436 R HN 0.712 nan 8.270 nan 0.000 0.436 437 S N 0.070 115.633 115.700 -0.228 0.000 2.368 437 S HA -0.036 4.435 4.470 0.001 0.000 0.225 437 S C 2.215 176.761 174.600 -0.090 0.000 1.030 437 S CA 1.179 59.317 58.200 -0.103 0.000 0.999 437 S CB -0.580 62.591 63.200 -0.048 0.000 0.844 437 S HN 0.740 nan 8.310 nan 0.000 0.459 438 A N 1.457 124.186 122.820 -0.152 0.000 1.930 438 A HA -0.147 4.173 4.320 0.001 0.000 0.217 438 A C 1.666 179.227 177.584 -0.038 0.000 1.175 438 A CA 1.466 53.461 52.037 -0.070 0.000 0.627 438 A CB -0.965 18.006 19.000 -0.049 0.000 0.815 438 A HN 0.713 nan 8.150 nan 0.000 0.443 439 H N -0.744 118.160 119.070 -0.278 0.000 2.387 439 H HA -0.146 4.411 4.556 0.001 0.000 0.299 439 H C 2.244 177.491 175.328 -0.135 0.000 1.099 439 H CA 1.324 57.117 56.048 -0.426 0.000 1.315 439 H CB -0.018 29.342 29.762 -0.671 0.000 1.380 439 H HN 0.608 nan 8.280 nan 0.000 0.513 440 Q N 0.412 120.243 119.800 0.052 0.000 2.172 440 Q HA -0.079 4.262 4.340 0.001 0.000 0.200 440 Q C 2.522 178.633 176.000 0.185 0.000 0.964 440 Q CA 1.025 56.888 55.803 0.101 0.000 0.855 440 Q CB 0.243 29.042 28.738 0.101 0.000 0.918 440 Q HN 0.284 nan 8.270 nan 0.000 0.444 441 V N 0.819 120.828 119.914 0.158 0.000 2.358 441 V HA -0.241 3.880 4.120 0.001 0.000 0.246 441 V C 2.248 178.456 176.094 0.190 0.000 1.047 441 V CA 1.767 64.186 62.300 0.198 0.000 1.035 441 V CB -0.883 31.005 31.823 0.108 0.000 0.658 441 V HN 0.380 nan 8.190 nan 0.000 0.452 442 A N 1.375 124.273 122.820 0.129 0.000 1.933 442 A HA -0.250 4.070 4.320 0.001 0.000 0.218 442 A C 2.350 180.003 177.584 0.115 0.000 1.175 442 A CA 1.987 54.104 52.037 0.133 0.000 0.628 442 A CB -0.597 18.494 19.000 0.153 0.000 0.814 442 A HN 0.689 nan 8.150 nan 0.000 0.444 443 R N -1.945 118.580 120.500 0.041 0.000 2.193 443 R HA -0.138 4.203 4.340 0.001 0.000 0.229 443 R C 0.948 177.122 176.300 -0.211 0.000 1.110 443 R CA 1.699 57.736 56.100 -0.105 0.000 0.988 443 R CB -0.577 29.591 30.300 -0.219 0.000 0.871 443 R HN 0.499 nan 8.270 nan 0.000 0.458 444 Y N 0.918 121.338 120.300 0.200 0.000 2.490 444 Y HA 0.266 4.817 4.550 0.001 0.000 0.281 444 Y C 0.159 176.267 175.900 0.348 0.000 1.174 444 Y CA -0.295 57.992 58.100 0.311 0.000 1.295 444 Y CB 0.329 39.032 38.460 0.404 0.000 1.062 444 Y HN -0.056 nan 8.280 nan 0.000 0.522 445 R N -0.687 120.002 120.500 0.314 0.000 3.267 445 R HA -0.150 4.190 4.340 0.001 0.000 0.254 445 R C -2.892 173.619 176.300 0.351 0.000 0.993 445 R CA 0.256 56.540 56.100 0.305 0.000 0.670 445 R CB -2.265 28.215 30.300 0.300 0.000 1.125 445 R HN 0.294 nan 8.270 nan 0.000 0.434 446 P HA 0.012 nan 4.420 nan 0.000 0.270 446 P C 0.719 177.945 177.300 -0.123 0.000 1.223 446 P CA -0.178 62.790 63.100 -0.221 0.000 0.785 446 P CB 0.578 32.092 31.700 -0.310 0.000 0.923 447 R N 1.735 121.990 120.500 -0.407 0.000 2.075 447 R HA 0.058 4.398 4.340 0.001 0.000 0.226 447 R C 0.794 176.992 176.300 -0.171 0.000 1.114 447 R CA 0.571 56.480 56.100 -0.318 0.000 0.972 447 R CB -0.565 29.466 30.300 -0.448 0.000 0.869 447 R HN 0.591 nan 8.270 nan 0.000 0.437 448 A N 3.186 125.860 122.820 -0.243 0.000 2.511 448 A HA 0.218 4.539 4.320 0.001 0.000 0.242 448 A C -2.161 175.369 177.584 -0.090 0.000 1.069 448 A CA -1.175 50.764 52.037 -0.164 0.000 0.763 448 A CB -0.075 18.809 19.000 -0.193 0.000 1.001 448 A HN 0.319 nan 8.150 nan 0.000 0.498 449 P HA 0.181 nan 4.420 nan 0.000 0.269 449 P C -0.776 176.555 177.300 0.053 0.000 1.209 449 P CA 0.296 63.369 63.100 -0.044 0.000 0.776 449 P CB 0.529 31.842 31.700 -0.645 0.000 0.876 450 I N 3.604 124.304 120.570 0.215 0.000 2.330 450 I HA 0.293 4.464 4.170 0.001 0.000 0.286 450 I C 0.641 176.908 176.117 0.251 0.000 1.025 450 I CA -0.588 60.815 61.300 0.171 0.000 1.197 450 I CB 0.505 38.587 38.000 0.137 0.000 1.358 450 I HN 0.115 nan 8.210 nan 0.000 0.467 451 I N 6.309 126.997 120.570 0.196 0.000 2.281 451 I HA 0.296 4.466 4.170 0.001 0.000 0.293 451 I C 0.648 176.853 176.117 0.147 0.000 1.085 451 I CA -0.174 61.252 61.300 0.211 0.000 1.257 451 I CB 0.824 38.934 38.000 0.183 0.000 1.430 451 I HN 0.597 nan 8.210 nan 0.000 0.489 452 A N 7.378 130.283 122.820 0.142 0.000 2.279 452 A HA 0.537 4.858 4.320 0.001 0.000 0.306 452 A C -0.212 177.440 177.584 0.112 0.000 1.300 452 A CA -0.385 51.710 52.037 0.098 0.000 0.925 452 A CB 0.294 19.334 19.000 0.068 0.000 1.152 452 A HN 0.473 nan 8.150 nan 0.000 0.544 453 V N 3.079 123.064 119.914 0.118 0.000 2.383 453 V HA 0.592 4.713 4.120 0.001 0.000 0.275 453 V C 0.585 176.761 176.094 0.136 0.000 1.036 453 V CA -0.016 62.388 62.300 0.174 0.000 0.889 453 V CB 1.046 32.993 31.823 0.207 0.000 0.985 453 V HN 0.932 nan 8.190 nan 0.000 0.459 454 T N 4.316 118.957 114.554 0.144 0.000 2.896 454 T HA 0.425 4.776 4.350 0.001 0.000 0.297 454 T C 0.604 175.353 174.700 0.083 0.000 1.108 454 T CA -0.637 61.520 62.100 0.094 0.000 1.004 454 T CB 1.826 70.737 68.868 0.071 0.000 1.159 454 T HN 0.633 nan 8.240 nan 0.000 0.499 455 R N 1.357 121.887 120.500 0.050 0.000 2.312 455 R HA 0.186 4.526 4.340 0.001 0.000 0.205 455 R C 0.392 176.709 176.300 0.029 0.000 0.904 455 R CA -0.141 55.973 56.100 0.024 0.000 1.052 455 R CB 0.191 30.498 30.300 0.010 0.000 1.014 455 R HN 0.403 nan 8.270 nan 0.000 0.503 456 N N 1.709 120.433 118.700 0.041 0.000 2.437 456 N HA 0.081 4.822 4.740 0.001 0.000 0.243 456 N C -2.134 173.410 175.510 0.056 0.000 1.041 456 N CA -1.887 51.186 53.050 0.039 0.000 0.940 456 N CB 1.764 40.272 38.487 0.034 0.000 1.133 456 N HN -0.162 nan 8.380 nan 0.000 0.506 457 P HA -0.145 nan 4.420 nan 0.000 0.217 457 P C 1.211 178.562 177.300 0.086 0.000 1.150 457 P CA 1.137 64.287 63.100 0.083 0.000 0.832 457 P CB 0.406 32.148 31.700 0.069 0.000 0.787 458 Q N -0.686 119.152 119.800 0.064 0.000 2.046 458 Q HA -0.133 4.208 4.340 0.001 0.000 0.200 458 Q C 1.836 177.880 176.000 0.074 0.000 0.975 458 Q CA 2.171 58.012 55.803 0.063 0.000 0.836 458 Q CB -0.810 27.955 28.738 0.045 0.000 0.896 458 Q HN 0.083 nan 8.270 nan 0.000 0.428 459 T N 0.998 115.592 114.554 0.067 0.000 2.653 459 T HA -0.268 4.083 4.350 0.001 0.000 0.268 459 T C 1.803 176.547 174.700 0.072 0.000 1.035 459 T CA 1.603 63.747 62.100 0.073 0.000 1.154 459 T CB -0.644 68.252 68.868 0.047 0.000 0.862 459 T HN 0.531 nan 8.240 nan 0.000 0.441 460 A N 1.758 124.620 122.820 0.069 0.000 1.892 460 A HA -0.215 4.106 4.320 0.001 0.000 0.218 460 A C 2.391 179.974 177.584 -0.002 0.000 1.188 460 A CA 1.882 53.951 52.037 0.053 0.000 0.631 460 A CB -0.565 18.506 19.000 0.119 0.000 0.822 460 A HN 0.487 nan 8.150 nan 0.000 0.447 461 R N -0.997 119.545 120.500 0.070 0.000 2.090 461 R HA -0.089 4.252 4.340 0.001 0.000 0.228 461 R C 2.400 178.773 176.300 0.122 0.000 1.110 461 R CA 1.473 57.645 56.100 0.121 0.000 0.973 461 R CB -0.298 30.080 30.300 0.131 0.000 0.869 461 R HN 0.675 nan 8.270 nan 0.000 0.440 462 Q N 0.050 119.915 119.800 0.108 0.000 2.297 462 Q HA 0.007 4.347 4.340 0.001 0.000 0.204 462 Q C 2.024 178.134 176.000 0.183 0.000 0.962 462 Q CA 0.963 56.852 55.803 0.143 0.000 0.879 462 Q CB 0.086 28.915 28.738 0.153 0.000 0.947 462 Q HN 0.338 nan 8.270 nan 0.000 0.462 463 A N 0.533 123.426 122.820 0.123 0.000 2.070 463 A HA -0.206 4.115 4.320 0.001 0.000 0.220 463 A C 1.414 179.061 177.584 0.104 0.000 1.159 463 A CA 1.135 53.252 52.037 0.135 0.000 0.656 463 A CB -0.550 18.453 19.000 0.005 0.000 0.800 463 A HN 0.372 nan 8.150 nan 0.000 0.453 464 H N -0.509 118.626 119.070 0.108 0.000 2.518 464 H HA 0.018 4.575 4.556 0.001 0.000 0.289 464 H C 1.687 177.022 175.328 0.011 0.000 1.051 464 H CA 1.026 57.093 56.048 0.031 0.000 1.280 464 H CB -0.164 29.605 29.762 0.011 0.000 1.380 464 H HN 0.453 nan 8.280 nan 0.000 0.566 465 L N -0.145 121.151 121.223 0.120 0.000 2.465 465 L HA -0.102 4.239 4.340 0.001 0.000 0.224 465 L C -0.035 176.664 176.870 -0.284 0.000 1.145 465 L CA 0.578 55.354 54.840 -0.106 0.000 0.834 465 L CB -0.069 41.836 42.059 -0.255 0.000 0.944 465 L HN 0.124 nan 8.230 nan 0.000 0.451 466 Y N -0.701 119.562 120.300 -0.062 0.000 2.335 466 Y HA 0.376 4.927 4.550 0.001 0.000 0.338 466 Y C 0.515 176.388 175.900 -0.045 0.000 0.977 466 Y CA -1.305 56.752 58.100 -0.073 0.000 1.114 466 Y CB 0.940 39.340 38.460 -0.099 0.000 1.182 466 Y HN -0.107 nan 8.280 nan 0.000 0.463 467 R N 1.783 122.333 120.500 0.084 0.000 2.504 467 R HA 0.271 4.611 4.340 0.001 0.000 0.291 467 R C 1.151 177.494 176.300 0.072 0.000 0.974 467 R CA 1.522 57.654 56.100 0.053 0.000 1.077 467 R CB -0.423 29.911 30.300 0.057 0.000 0.926 467 R HN 0.991 nan 8.270 nan 0.000 0.407 468 G N 3.717 112.524 108.800 0.012 0.000 2.195 468 G HA2 -0.269 3.692 3.960 0.001 0.000 0.246 468 G HA3 -0.269 3.692 3.960 0.001 0.000 0.246 468 G C 0.187 175.123 174.900 0.060 0.000 0.984 468 G CA 0.149 45.289 45.100 0.068 0.000 0.633 468 G HN 0.562 nan 8.290 nan 0.000 0.525 469 I N 1.022 121.570 120.570 -0.036 0.000 2.371 469 I HA 0.460 4.630 4.170 0.001 0.000 0.290 469 I C -0.283 175.711 176.117 -0.205 0.000 1.028 469 I CA -0.554 60.755 61.300 0.015 0.000 1.345 469 I CB 0.634 38.667 38.000 0.055 0.000 1.407 469 I HN -0.051 nan 8.210 nan 0.000 0.501 470 F N 7.671 127.657 119.950 0.061 0.000 2.311 470 F HA 0.360 4.887 4.527 0.001 0.000 0.371 470 F C -2.076 173.757 175.800 0.056 0.000 1.083 470 F CA -2.679 55.377 58.000 0.093 0.000 1.113 470 F CB 0.715 39.815 39.000 0.167 0.000 1.349 470 F HN 0.238 nan 8.300 nan 0.000 0.470 471 P HA 0.251 nan 4.420 nan 0.000 0.281 471 P C -0.837 176.538 177.300 0.123 0.000 1.252 471 P CA -0.200 62.925 63.100 0.042 0.000 0.778 471 P CB 1.854 33.480 31.700 -0.123 0.000 0.895 472 V N 1.932 121.947 119.914 0.168 0.000 2.604 472 V HA 0.564 4.684 4.120 0.001 0.000 0.305 472 V C -0.649 175.657 176.094 0.353 0.000 1.043 472 V CA -1.238 61.209 62.300 0.245 0.000 0.888 472 V CB 1.854 33.737 31.823 0.100 0.000 0.995 472 V HN 0.307 nan 8.190 nan 0.000 0.429 473 L N 5.857 127.330 121.223 0.416 0.000 2.276 473 L HA 0.657 4.998 4.340 0.001 0.000 0.286 473 L C -0.124 176.855 176.870 0.183 0.000 1.024 473 L CA -0.106 54.902 54.840 0.281 0.000 0.826 473 L CB 0.657 42.868 42.059 0.254 0.000 1.211 473 L HN 1.092 nan 8.230 nan 0.000 0.422 474 C N 5.626 124.945 119.300 0.032 0.000 2.347 474 C HA 0.397 4.857 4.460 0.001 0.000 0.353 474 C C 1.094 175.920 174.990 -0.274 0.000 1.273 474 C CA -0.474 58.304 59.018 -0.400 0.000 1.861 474 C CB -0.249 27.291 27.740 -0.334 0.000 2.420 474 C HN 0.966 nan 8.230 nan 0.000 0.542 475 K N 3.206 123.401 120.400 -0.342 0.000 2.414 475 K HA 0.169 4.489 4.320 0.001 0.000 0.204 475 K C -0.137 176.352 176.600 -0.184 0.000 1.026 475 K CA -0.257 55.908 56.287 -0.204 0.000 1.108 475 K CB 0.221 32.619 32.500 -0.169 0.000 0.855 475 K HN 0.743 nan 8.250 nan 0.000 0.517 476 D N 3.161 123.423 120.400 -0.229 0.000 2.341 476 D HA 0.093 4.733 4.640 0.001 0.000 0.245 476 D C -2.151 174.087 176.300 -0.104 0.000 1.106 476 D CA -1.170 52.732 54.000 -0.163 0.000 0.905 476 D CB 1.018 41.711 40.800 -0.178 0.000 1.202 476 D HN 0.024 nan 8.370 nan 0.000 0.426 477 P HA -0.023 nan 4.420 nan 0.000 0.267 477 P C -0.156 177.122 177.300 -0.037 0.000 1.200 477 P CA -0.288 62.784 63.100 -0.047 0.000 0.772 477 P CB 0.583 32.262 31.700 -0.035 0.000 0.855 478 V N 4.062 123.965 119.914 -0.018 0.000 2.540 478 V HA -0.049 4.072 4.120 0.001 0.000 0.297 478 V C 1.161 177.258 176.094 0.005 0.000 1.024 478 V CA 0.254 62.555 62.300 0.002 0.000 1.105 478 V CB -0.247 31.590 31.823 0.025 0.000 0.938 478 V HN 0.516 nan 8.190 nan 0.000 0.482 479 Q N 3.718 123.519 119.800 0.001 0.000 2.368 479 Q HA 0.201 4.542 4.340 0.001 0.000 0.237 479 Q C 1.132 177.149 176.000 0.028 0.000 0.987 479 Q CA -0.111 55.694 55.803 0.002 0.000 0.896 479 Q CB 0.830 29.559 28.738 -0.016 0.000 1.241 479 Q HN 0.710 nan 8.270 nan 0.000 0.485 480 E N 0.202 120.417 120.200 0.024 0.000 2.158 480 E HA 0.038 4.389 4.350 0.001 0.000 0.191 480 E C -0.109 176.524 176.600 0.056 0.000 0.982 480 E CA 0.421 56.843 56.400 0.035 0.000 0.823 480 E CB 0.320 30.033 29.700 0.022 0.000 0.766 480 E HN 0.546 nan 8.360 nan 0.000 0.468 481 A N 0.755 123.606 122.820 0.051 0.000 2.276 481 A HA 0.109 4.429 4.320 0.001 0.000 0.300 481 A C 0.147 177.792 177.584 0.102 0.000 1.235 481 A CA -0.466 51.617 52.037 0.076 0.000 0.867 481 A CB 0.097 19.124 19.000 0.044 0.000 1.137 481 A HN 0.380 nan 8.150 nan 0.000 0.527 482 W N 3.581 124.873 121.300 -0.014 0.000 2.318 482 W HA -0.268 4.393 4.660 0.001 0.000 0.313 482 W C 1.932 178.446 176.519 -0.008 0.000 1.221 482 W CA 2.822 60.156 57.345 -0.018 0.000 1.266 482 W CB -0.105 29.336 29.460 -0.031 0.000 1.150 482 W HN 0.705 nan 8.180 nan 0.000 0.496 483 A N 0.308 123.073 122.820 -0.093 0.000 1.972 483 A HA -0.141 4.180 4.320 0.001 0.000 0.219 483 A C 1.865 179.308 177.584 -0.234 0.000 1.169 483 A CA 2.846 54.722 52.037 -0.269 0.000 0.635 483 A CB -1.463 17.497 19.000 -0.065 0.000 0.810 483 A HN 0.439 nan 8.150 nan 0.000 0.446 484 E N -0.124 119.997 120.200 -0.132 0.000 2.107 484 E HA -0.214 4.136 4.350 0.001 0.000 0.191 484 E C 1.637 178.159 176.600 -0.129 0.000 0.982 484 E CA 1.523 57.863 56.400 -0.100 0.000 0.809 484 E CB -0.847 28.825 29.700 -0.045 0.000 0.756 484 E HN 0.719 nan 8.360 nan 0.000 0.459 485 D N -0.525 119.778 120.400 -0.162 0.000 2.144 485 D HA -0.097 4.544 4.640 0.001 0.000 0.200 485 D C 1.883 178.048 176.300 -0.226 0.000 0.978 485 D CA 1.195 55.104 54.000 -0.153 0.000 0.833 485 D CB 0.096 40.837 40.800 -0.100 0.000 0.961 485 D HN 0.264 nan 8.370 nan 0.000 0.470 486 V N 0.776 120.436 119.914 -0.422 0.000 2.261 486 V HA -0.231 3.889 4.120 0.001 0.000 0.246 486 V C 1.887 177.857 176.094 -0.206 0.000 1.047 486 V CA 2.066 64.125 62.300 -0.402 0.000 1.015 486 V CB -0.543 30.884 31.823 -0.661 0.000 0.642 486 V HN 0.219 nan 8.190 nan 0.000 0.446 487 D N -0.177 120.115 120.400 -0.180 0.000 2.149 487 D HA -0.172 4.469 4.640 0.001 0.000 0.198 487 D C 2.029 178.302 176.300 -0.045 0.000 0.990 487 D CA 1.264 55.207 54.000 -0.095 0.000 0.839 487 D CB -0.339 40.413 40.800 -0.082 0.000 0.948 487 D HN 0.427 nan 8.370 nan 0.000 0.460 488 L N 0.416 121.610 121.223 -0.049 0.000 2.083 488 L HA -0.167 4.173 4.340 0.001 0.000 0.209 488 L C 2.297 179.193 176.870 0.044 0.000 1.083 488 L CA 1.359 56.194 54.840 -0.008 0.000 0.752 488 L CB 0.054 42.093 42.059 -0.032 0.000 0.899 488 L HN -0.102 nan 8.230 nan 0.000 0.433 489 R N -0.997 119.519 120.500 0.028 0.000 2.090 489 R HA -0.084 4.257 4.340 0.001 0.000 0.228 489 R C 2.152 178.537 176.300 0.142 0.000 1.110 489 R CA 1.293 57.458 56.100 0.108 0.000 0.973 489 R CB -0.324 30.009 30.300 0.054 0.000 0.869 489 R HN 0.284 nan 8.270 nan 0.000 0.440 490 V N 1.962 121.911 119.914 0.058 0.000 2.287 490 V HA -0.276 3.845 4.120 0.001 0.000 0.248 490 V C 1.756 177.894 176.094 0.072 0.000 1.053 490 V CA 1.781 64.110 62.300 0.048 0.000 1.027 490 V CB -0.470 31.352 31.823 -0.001 0.000 0.646 490 V HN 0.380 nan 8.190 nan 0.000 0.447 491 N N -0.528 118.218 118.700 0.076 0.000 2.309 491 N HA -0.129 4.612 4.740 0.001 0.000 0.182 491 N C 1.721 177.317 175.510 0.143 0.000 1.018 491 N CA 1.253 54.355 53.050 0.085 0.000 0.876 491 N CB -0.324 38.200 38.487 0.061 0.000 0.972 491 N HN 0.531 nan 8.380 nan 0.000 0.434 492 F N 2.303 122.264 119.950 0.019 0.000 2.126 492 F HA -0.111 4.417 4.527 0.001 0.000 0.299 492 F C 2.256 178.082 175.800 0.044 0.000 1.096 492 F CA 1.229 59.244 58.000 0.024 0.000 1.255 492 F CB -0.517 38.495 39.000 0.020 0.000 0.997 492 F HN 0.002 nan 8.300 nan 0.000 0.479 493 A N 0.754 123.537 122.820 -0.063 0.000 1.902 493 A HA -0.183 4.137 4.320 0.001 0.000 0.217 493 A C 2.237 179.825 177.584 0.008 0.000 1.181 493 A CA 1.869 53.837 52.037 -0.116 0.000 0.623 493 A CB -0.705 18.316 19.000 0.034 0.000 0.818 493 A HN 0.427 nan 8.150 nan 0.000 0.443 494 M N 0.310 119.970 119.600 0.099 0.000 2.108 494 M HA -0.153 4.328 4.480 0.001 0.000 0.261 494 M C 1.612 177.968 176.300 0.094 0.000 1.066 494 M CA 1.403 56.836 55.300 0.222 0.000 1.107 494 M CB -1.609 31.074 32.600 0.138 0.000 1.356 494 M HN 0.422 nan 8.290 nan 0.000 0.406 495 N N 0.335 119.023 118.700 -0.021 0.000 2.188 495 N HA -0.070 4.670 4.740 0.001 0.000 0.184 495 N C 1.943 177.320 175.510 -0.220 0.000 1.018 495 N CA 0.986 53.991 53.050 -0.076 0.000 0.858 495 N CB -0.535 37.947 38.487 -0.009 0.000 0.989 495 N HN 0.179 nan 8.380 nan 0.000 0.426 496 V N 1.092 120.798 119.914 -0.347 0.000 2.255 496 V HA -0.180 3.941 4.120 0.001 0.000 0.247 496 V C 2.505 178.240 176.094 -0.599 0.000 1.051 496 V CA 2.179 64.211 62.300 -0.447 0.000 1.018 496 V CB -1.308 30.212 31.823 -0.505 0.000 0.641 496 V HN 0.335 nan 8.190 nan 0.000 0.445 497 G N -0.615 107.795 108.800 -0.650 0.000 2.440 497 G HA2 -0.278 3.682 3.960 0.001 0.000 0.218 497 G HA3 -0.278 3.682 3.960 0.001 0.000 0.218 497 G C 1.683 175.849 174.900 -1.224 0.000 1.154 497 G CA 1.079 45.409 45.100 -1.283 0.000 0.767 497 G HN 0.471 nan 8.290 nan 0.000 0.552 498 K N 0.417 120.373 120.400 -0.741 0.000 2.026 498 K HA 0.072 4.393 4.320 0.001 0.000 0.208 498 K C 2.924 179.320 176.600 -0.340 0.000 1.048 498 K CA 1.129 57.191 56.287 -0.376 0.000 0.929 498 K CB -0.241 32.188 32.500 -0.119 0.000 0.713 498 K HN 0.258 nan 8.250 nan 0.000 0.439 499 A N 1.102 123.720 122.820 -0.338 0.000 1.969 499 A HA -0.128 4.193 4.320 0.001 0.000 0.218 499 A C 1.722 179.106 177.584 -0.334 0.000 1.169 499 A CA 1.245 53.122 52.037 -0.266 0.000 0.635 499 A CB -0.226 18.650 19.000 -0.207 0.000 0.810 499 A HN 0.210 nan 8.150 nan 0.000 0.445 500 R N -1.536 118.624 120.500 -0.567 0.000 2.334 500 R HA 0.262 4.603 4.340 0.001 0.000 0.216 500 R C 1.085 177.059 176.300 -0.542 0.000 0.905 500 R CA 0.468 56.184 56.100 -0.641 0.000 1.064 500 R CB 0.109 29.790 30.300 -1.031 0.000 1.046 500 R HN 0.620 nan 8.270 nan 0.000 0.508 501 G N 0.950 109.481 108.800 -0.449 0.000 2.143 501 G HA2 -0.263 3.698 3.960 0.001 0.000 0.248 501 G HA3 -0.263 3.698 3.960 0.001 0.000 0.248 501 G C 0.470 175.327 174.900 -0.071 0.000 0.991 501 G CA -0.025 44.950 45.100 -0.209 0.000 0.689 501 G HN 0.243 nan 8.290 nan 0.000 0.522 502 F N -0.170 119.553 119.950 -0.377 0.000 2.234 502 F HA 0.334 4.862 4.527 0.001 0.000 0.299 502 F C 1.473 177.176 175.800 -0.161 0.000 1.087 502 F CA 0.805 58.600 58.000 -0.342 0.000 1.340 502 F CB -0.714 37.985 39.000 -0.503 0.000 1.031 502 F HN 0.458 nan 8.300 nan 0.000 0.500 503 F N -1.432 118.565 119.950 0.079 0.000 2.877 503 F HA 0.591 5.119 4.527 0.001 0.000 0.319 503 F C -0.973 174.820 175.800 -0.011 0.000 1.174 503 F CA -2.325 55.689 58.000 0.023 0.000 0.903 503 F CB 1.059 40.068 39.000 0.015 0.000 1.357 503 F HN -0.236 nan 8.300 nan 0.000 0.472 504 K N 0.287 120.899 120.400 0.353 0.000 2.480 504 K HA 0.463 4.784 4.320 0.001 0.000 0.258 504 K C -1.388 175.313 176.600 0.169 0.000 0.990 504 K CA -1.245 55.163 56.287 0.202 0.000 0.857 504 K CB 2.402 34.956 32.500 0.091 0.000 1.384 504 K HN 0.792 nan 8.250 nan 0.000 0.446 505 K N 0.169 120.633 120.400 0.107 0.000 2.513 505 K HA -0.096 4.225 4.320 0.001 0.000 0.275 505 K C 0.750 177.367 176.600 0.028 0.000 1.025 505 K CA 2.128 58.448 56.287 0.056 0.000 1.125 505 K CB -0.603 31.919 32.500 0.037 0.000 0.843 505 K HN 0.880 nan 8.250 nan 0.000 0.486 506 G N 2.991 111.790 108.800 -0.001 0.000 2.217 506 G HA2 -0.218 3.743 3.960 0.001 0.000 0.246 506 G HA3 -0.218 3.743 3.960 0.001 0.000 0.246 506 G C -0.317 174.564 174.900 -0.032 0.000 0.990 506 G CA 0.150 45.240 45.100 -0.016 0.000 0.627 506 G HN 0.722 nan 8.290 nan 0.000 0.522 507 D N 0.532 120.910 120.400 -0.037 0.000 2.362 507 D HA 0.434 5.075 4.640 0.001 0.000 0.242 507 D C 1.039 177.248 176.300 -0.152 0.000 1.132 507 D CA 0.617 54.574 54.000 -0.072 0.000 0.907 507 D CB 1.739 42.517 40.800 -0.036 0.000 1.195 507 D HN 0.891 nan 8.370 nan 0.000 0.429 508 V N -0.488 119.344 119.914 -0.138 0.000 2.439 508 V HA 0.639 4.760 4.120 0.001 0.000 0.282 508 V C 0.123 176.088 176.094 -0.215 0.000 1.039 508 V CA -0.723 61.486 62.300 -0.152 0.000 0.913 508 V CB 1.102 32.867 31.823 -0.097 0.000 0.983 508 V HN 0.327 nan 8.190 nan 0.000 0.460 509 V N 3.297 123.061 119.914 -0.251 0.000 3.001 509 V HA 0.708 4.829 4.120 0.001 0.000 0.314 509 V C -0.389 175.606 176.094 -0.165 0.000 1.099 509 V CA -0.935 61.207 62.300 -0.262 0.000 0.989 509 V CB 2.035 33.603 31.823 -0.426 0.000 1.040 509 V HN 0.805 nan 8.190 nan 0.000 0.434 510 I N 2.782 123.273 120.570 -0.132 0.000 2.385 510 I HA 0.596 4.766 4.170 0.001 0.000 0.294 510 I C -0.166 175.913 176.117 -0.065 0.000 0.988 510 I CA -0.555 60.691 61.300 -0.090 0.000 1.265 510 I CB 1.372 39.319 38.000 -0.088 0.000 1.388 510 I HN 0.498 nan 8.210 nan 0.000 0.480 511 V N 6.974 126.861 119.914 -0.044 0.000 2.531 511 V HA 0.475 4.596 4.120 0.001 0.000 0.301 511 V C -0.087 176.005 176.094 -0.003 0.000 1.034 511 V CA -0.626 61.661 62.300 -0.023 0.000 0.865 511 V CB 2.493 34.299 31.823 -0.028 0.000 0.995 511 V HN 0.442 nan 8.190 nan 0.000 0.424 512 L N 5.167 126.397 121.223 0.012 0.000 2.313 512 L HA 0.827 5.168 4.340 0.001 0.000 0.283 512 L C 0.204 177.099 176.870 0.041 0.000 1.013 512 L CA -0.118 54.740 54.840 0.030 0.000 0.816 512 L CB 2.089 44.168 42.059 0.034 0.000 1.236 512 L HN 0.906 nan 8.230 nan 0.000 0.419 513 T N -0.558 114.032 114.554 0.060 0.000 2.778 513 T HA 0.784 5.135 4.350 0.001 0.000 0.293 513 T C -0.211 174.577 174.700 0.147 0.000 1.144 513 T CA -0.595 61.550 62.100 0.075 0.000 1.010 513 T CB 2.038 70.919 68.868 0.023 0.000 1.325 513 T HN 0.583 nan 8.240 nan 0.000 0.515 514 G N -0.960 107.966 108.800 0.210 0.000 2.735 514 G HA2 0.539 4.500 3.960 0.001 0.000 0.301 514 G HA3 0.539 4.500 3.960 0.001 0.000 0.301 514 G C 0.203 175.367 174.900 0.441 0.000 1.279 514 G CA -0.659 44.626 45.100 0.308 0.000 1.019 514 G HN 0.975 nan 8.290 nan 0.000 0.497 515 W N -0.284 121.195 121.300 0.298 0.000 2.996 515 W HA 0.314 4.975 4.660 0.001 0.000 0.270 515 W C 0.223 176.802 176.519 0.100 0.000 1.280 515 W CA -0.227 57.258 57.345 0.233 0.000 1.549 515 W CB -0.052 29.478 29.460 0.117 0.000 1.079 515 W HN 0.578 nan 8.180 nan 0.000 0.629 516 R N 0.263 120.319 120.500 -0.738 0.000 2.764 516 R HA 0.577 4.918 4.340 0.001 0.000 0.270 516 R C -3.041 172.597 176.300 -1.103 0.000 1.014 516 R CA -1.731 53.617 56.100 -1.255 0.000 0.904 516 R CB 0.721 30.036 30.300 -1.641 0.000 1.236 516 R HN -0.388 nan 8.270 nan 0.000 0.466 517 P HA 0.303 nan 4.420 nan 0.000 0.274 517 P C -0.067 177.038 177.300 -0.324 0.000 1.256 517 P CA 0.601 63.313 63.100 -0.648 0.000 0.795 517 P CB 0.587 31.823 31.700 -0.773 0.000 1.038 518 G N -0.007 108.753 108.800 -0.066 0.000 2.712 518 G HA2 -0.101 3.860 3.960 0.001 0.000 0.686 518 G HA3 -0.101 3.860 3.960 0.001 0.000 0.686 518 G C -0.405 174.590 174.900 0.158 0.000 1.321 518 G CA -0.623 44.497 45.100 0.033 0.000 0.813 518 G HN 0.544 nan 8.290 nan 0.000 0.599 519 S N -0.104 115.648 115.700 0.086 0.000 2.579 519 S HA 0.547 5.018 4.470 0.001 0.000 0.275 519 S C 1.530 176.025 174.600 -0.175 0.000 1.345 519 S CA 1.590 59.789 58.200 -0.002 0.000 1.031 519 S CB 1.116 64.291 63.200 -0.042 0.000 0.892 519 S HN 2.590 nan 8.310 nan 0.000 0.529 520 G N 0.738 109.367 108.800 -0.285 0.000 2.159 520 G HA2 -0.202 3.759 3.960 0.001 0.000 0.227 520 G HA3 -0.202 3.759 3.960 0.001 0.000 0.227 520 G C 0.109 174.522 174.900 -0.813 0.000 0.986 520 G CA -0.162 44.589 45.100 -0.582 0.000 0.651 520 G HN 0.607 nan 8.290 nan 0.000 0.523 521 F N 1.376 121.311 119.950 -0.024 0.000 2.772 521 F HA 0.333 4.860 4.527 0.001 0.000 0.316 521 F C 1.227 177.084 175.800 0.094 0.000 1.114 521 F CA -0.109 57.886 58.000 -0.008 0.000 1.191 521 F CB 0.575 39.347 39.000 -0.380 0.000 1.065 521 F HN 0.000 nan 8.300 nan 0.000 0.534 522 T N 3.146 117.807 114.554 0.178 0.000 2.867 522 T HA 0.038 4.389 4.350 0.001 0.000 0.297 522 T C 1.001 175.825 174.700 0.207 0.000 0.989 522 T CA 0.496 62.701 62.100 0.175 0.000 1.159 522 T CB 0.111 69.036 68.868 0.095 0.000 0.928 522 T HN 0.510 nan 8.240 nan 0.000 0.538 523 N N 0.594 119.434 118.700 0.234 0.000 1.958 523 N HA -0.015 4.726 4.740 0.001 0.000 0.223 523 N C -0.855 174.751 175.510 0.160 0.000 1.395 523 N CA -0.430 52.749 53.050 0.216 0.000 0.737 523 N CB 0.746 39.425 38.487 0.319 0.000 1.155 523 N HN 0.401 nan 8.380 nan 0.000 0.529 524 T N 1.863 116.503 114.554 0.142 0.000 2.881 524 T HA 0.411 4.761 4.350 0.001 0.000 0.291 524 T C -1.015 173.725 174.700 0.066 0.000 0.990 524 T CA -0.457 61.705 62.100 0.105 0.000 0.976 524 T CB 1.796 70.739 68.868 0.124 0.000 0.970 524 T HN 0.097 nan 8.240 nan 0.000 0.438 525 M N 4.014 123.640 119.600 0.043 0.000 2.181 525 M HA 0.516 4.997 4.480 0.001 0.000 0.323 525 M C -1.097 175.207 176.300 0.008 0.000 1.004 525 M CA -0.453 54.859 55.300 0.021 0.000 0.941 525 M CB 1.215 33.823 32.600 0.014 0.000 1.579 525 M HN 0.577 nan 8.290 nan 0.000 0.427 526 R N 2.521 123.018 120.500 -0.005 0.000 2.740 526 R HA 0.731 5.071 4.340 0.001 0.000 0.282 526 R C -1.201 175.079 176.300 -0.034 0.000 0.969 526 R CA -0.880 55.211 56.100 -0.016 0.000 0.918 526 R CB 2.597 32.887 30.300 -0.016 0.000 1.175 526 R HN 0.480 nan 8.270 nan 0.000 0.464 527 V N 3.686 123.577 119.914 -0.038 0.000 2.347 527 V HA 0.371 4.492 4.120 0.001 0.000 0.280 527 V C -0.246 175.813 176.094 -0.059 0.000 1.021 527 V CA -0.577 61.691 62.300 -0.053 0.000 0.847 527 V CB 1.375 33.171 31.823 -0.046 0.000 0.990 527 V HN 0.578 nan 8.190 nan 0.000 0.444 528 V N 4.133 123.999 119.914 -0.081 0.000 2.789 528 V HA 0.774 4.895 4.120 0.001 0.000 0.311 528 V C -2.722 173.307 176.094 -0.108 0.000 1.073 528 V CA -2.553 59.699 62.300 -0.081 0.000 0.921 528 V CB 2.359 34.137 31.823 -0.075 0.000 1.009 528 V HN 0.636 nan 8.190 nan 0.000 0.426 529 P HA 0.214 nan 4.420 nan 0.000 0.275 529 P C -0.124 177.108 177.300 -0.112 0.000 1.227 529 P CA 0.034 63.077 63.100 -0.095 0.000 0.781 529 P CB 1.393 33.058 31.700 -0.058 0.000 0.906 530 V N 6.018 125.843 119.914 -0.149 0.000 2.529 530 V HA 0.060 4.180 4.120 0.001 0.000 0.292 530 V C -1.561 174.514 176.094 -0.032 0.000 1.028 530 V CA -0.810 61.414 62.300 -0.127 0.000 1.074 530 V CB -0.216 31.516 31.823 -0.151 0.000 0.958 530 V HN 0.612 nan 8.190 nan 0.000 0.481 531 P HA 0.000 nan 4.420 nan 0.000 0.216 531 P CA 0.000 63.103 63.100 0.005 0.000 0.800 531 P CB 0.000 31.705 31.700 0.008 0.000 0.726