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 3ntg_1_B DATA FIRST_RESID 18 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN DATA SEQUENCE VHYGYKSWEA FSNLSYYTRA LPPVADDcPT PMGVKGNKEL PDSKEVLEKV DATA SEQUENCE LLRREFIPDP QGSNMMFAFF AQHFTHQFFK TDHKRGPGFT RGLGHGVDLN DATA SEQUENCE HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV EMIYPPHIPE DATA SEQUENCE NLQFAVGQEV FGLVPGLMMY ATIWLREHNR VCDILKQEHP EWGDEQLFQT DATA SEQUENCE SRLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF DATA SEQUENCE NTLYHWHPLL PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA DATA SEQUENCE GRVAGGRNVP IAVQAVAKAS IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL DATA SEQUENCE TGEKEMAAEL KALYSDIDVM ELYPALLVEK PRPDAIFGET MVELGAPFSL DATA SEQUENCE KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLIcNN VKGcPFTSFN DATA SEQUENCE VQ 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.632 177.584 0.080 0.000 1.274 18 A CA 0.000 52.077 52.037 0.067 0.000 0.836 18 A CB 0.000 19.046 19.000 0.077 0.000 0.831 19 N N 2.424 121.164 118.700 0.067 0.000 2.374 19 N HA 0.054 4.795 4.740 0.001 0.000 0.269 19 N C -1.521 174.015 175.510 0.044 0.000 1.310 19 N CA -0.246 52.838 53.050 0.057 0.000 0.877 19 N CB 1.127 39.639 38.487 0.040 0.000 1.096 19 N HN 0.255 nan 8.380 nan 0.000 0.484 20 P HA 0.018 nan 4.420 nan 0.000 0.234 20 P C 0.591 177.881 177.300 -0.017 0.000 1.167 20 P CA 0.500 63.647 63.100 0.077 0.000 0.763 20 P CB 0.093 31.892 31.700 0.164 0.000 0.835 21 c N -1.231 117.343 118.600 -0.044 0.000 2.673 21 c HA 0.133 4.703 4.570 0.001 0.000 0.274 21 c C 2.577 176.593 174.090 -0.123 0.000 1.276 21 c CA -0.199 56.049 56.329 -0.136 0.000 1.701 21 c CB -2.281 40.181 42.510 -0.079 0.000 1.836 21 c HN 0.342 nan 8.230 nan 0.000 0.596 22 c N 1.332 119.886 118.600 -0.076 0.000 2.432 22 c HA -0.084 4.487 4.570 0.001 0.000 0.280 22 c C 2.864 176.907 174.090 -0.078 0.000 1.353 22 c CA 1.833 58.128 56.329 -0.058 0.000 1.766 22 c CB -1.288 41.210 42.510 -0.021 0.000 1.924 22 c HN 0.818 nan 8.230 nan 0.000 0.509 23 S N 0.598 116.232 115.700 -0.109 0.000 2.607 23 S HA -0.040 4.431 4.470 0.001 0.000 0.224 23 S C 0.450 174.964 174.600 -0.143 0.000 0.969 23 S CA 0.416 58.550 58.200 -0.110 0.000 0.927 23 S CB -0.674 62.463 63.200 -0.105 0.000 0.772 23 S HN 0.677 nan 8.310 nan 0.000 0.533 24 N N 1.626 120.222 118.700 -0.174 0.000 2.714 24 N HA -0.092 4.649 4.740 0.001 0.000 0.253 24 N C -1.920 173.465 175.510 -0.207 0.000 1.024 24 N CA 1.045 53.984 53.050 -0.186 0.000 0.726 24 N CB -1.420 36.974 38.487 -0.156 0.000 0.908 24 N HN 0.489 nan 8.380 nan 0.000 0.542 25 P HA -0.009 nan 4.420 nan 0.000 0.222 25 P C 0.315 177.504 177.300 -0.184 0.000 1.153 25 P CA 0.579 63.507 63.100 -0.287 0.000 0.798 25 P CB 0.167 31.505 31.700 -0.603 0.000 0.796 26 c N 2.477 120.974 118.600 -0.173 0.000 2.585 26 c HA 0.322 4.892 4.570 0.001 0.000 0.406 26 c C 0.715 174.729 174.090 -0.126 0.000 1.312 26 c CA -0.500 55.772 56.329 -0.094 0.000 1.924 26 c CB -0.524 41.953 42.510 -0.056 0.000 2.578 26 c HN 0.276 nan 8.230 nan 0.000 0.580 27 Q N 1.796 121.510 119.800 -0.144 0.000 2.241 27 Q HA 0.348 4.689 4.340 0.001 0.000 0.262 27 Q C 0.071 175.911 176.000 -0.267 0.000 1.014 27 Q CA -0.486 55.189 55.803 -0.212 0.000 0.885 27 Q CB 0.710 29.296 28.738 -0.254 0.000 1.311 27 Q HN 0.770 nan 8.270 nan 0.000 0.461 28 N N 1.640 120.157 118.700 -0.304 0.000 2.738 28 N HA -0.212 4.528 4.740 0.001 0.000 0.249 28 N C -0.633 174.806 175.510 -0.120 0.000 1.047 28 N CA 0.803 53.675 53.050 -0.296 0.000 0.707 28 N CB -0.478 37.572 38.487 -0.729 0.000 0.937 28 N HN 0.691 nan 8.380 nan 0.000 0.545 29 R N -4.166 116.270 120.500 -0.107 0.000 3.963 29 R HA -0.147 4.194 4.340 0.001 0.000 0.394 29 R C 0.869 177.159 176.300 -0.017 0.000 1.131 29 R CA 1.261 57.325 56.100 -0.060 0.000 1.059 29 R CB -2.240 28.041 30.300 -0.031 0.000 1.614 29 R HN 0.494 nan 8.270 nan 0.000 0.546 30 G N 0.891 109.674 108.800 -0.027 0.000 2.527 30 G HA2 0.353 4.313 3.960 0.001 0.000 0.248 30 G HA3 0.353 4.313 3.960 0.001 0.000 0.248 30 G C -0.222 174.682 174.900 0.007 0.000 1.231 30 G CA -0.399 44.706 45.100 0.009 0.000 0.838 30 G HN 0.175 nan 8.290 nan 0.000 0.570 31 E N -0.108 120.116 120.200 0.041 0.000 2.166 31 E HA 0.301 4.652 4.350 0.001 0.000 0.275 31 E C -0.600 176.032 176.600 0.052 0.000 0.941 31 E CA -0.595 55.838 56.400 0.055 0.000 0.784 31 E CB 1.943 31.704 29.700 0.102 0.000 1.115 31 E HN 0.414 nan 8.360 nan 0.000 0.399 32 c N 4.501 123.115 118.600 0.023 0.000 2.466 32 c HA 0.623 5.194 4.570 0.001 0.000 0.379 32 c C -0.307 173.820 174.090 0.062 0.000 1.251 32 c CA -0.312 56.037 56.329 0.033 0.000 2.263 32 c CB -0.316 42.157 42.510 -0.062 0.000 2.511 32 c HN 0.841 nan 8.230 nan 0.000 0.573 33 M N 5.112 124.769 119.600 0.096 0.000 2.322 33 M HA 0.341 4.822 4.480 0.001 0.000 0.286 33 M C -0.160 176.194 176.300 0.089 0.000 1.111 33 M CA -0.087 55.259 55.300 0.075 0.000 0.941 33 M CB 2.040 34.676 32.600 0.060 0.000 1.671 33 M HN 0.826 nan 8.290 nan 0.000 0.470 34 S N 2.180 117.913 115.700 0.054 0.000 2.549 34 S HA 0.261 4.731 4.470 0.001 0.000 0.283 34 S C 0.681 175.282 174.600 0.002 0.000 1.320 34 S CA 0.236 58.463 58.200 0.045 0.000 1.058 34 S CB 0.543 63.746 63.200 0.005 0.000 0.882 34 S HN 0.782 nan 8.310 nan 0.000 0.498 35 T N -0.865 113.690 114.554 0.001 0.000 3.174 35 T HA 0.605 4.955 4.350 0.001 0.000 0.269 35 T C 0.607 175.276 174.700 -0.051 0.000 1.017 35 T CA -0.014 62.068 62.100 -0.031 0.000 0.899 35 T CB -0.437 68.414 68.868 -0.028 0.000 1.077 35 T HN 1.468 nan 8.240 nan 0.000 0.552 36 G N -0.119 108.637 108.800 -0.074 0.000 2.321 36 G HA2 0.346 4.307 3.960 0.001 0.000 0.298 36 G HA3 0.346 4.307 3.960 0.001 0.000 0.298 36 G C -0.367 174.492 174.900 -0.068 0.000 1.385 36 G CA -0.881 44.164 45.100 -0.091 0.000 0.856 36 G HN -0.004 nan 8.290 nan 0.000 0.584 37 F N -0.217 119.745 119.950 0.019 0.000 2.250 37 F HA 0.058 4.585 4.527 0.001 0.000 0.301 37 F C 1.695 177.514 175.800 0.031 0.000 1.077 37 F CA 1.778 59.791 58.000 0.023 0.000 1.348 37 F CB 0.433 39.444 39.000 0.017 0.000 1.040 37 F HN 0.259 nan 8.300 nan 0.000 0.509 38 D N -0.876 119.641 120.400 0.194 0.000 2.785 38 D HA 0.152 4.792 4.640 0.001 0.000 0.324 38 D C -0.565 175.803 176.300 0.114 0.000 1.523 38 D CA 0.181 54.265 54.000 0.140 0.000 0.789 38 D CB 0.446 41.319 40.800 0.121 0.000 1.171 38 D HN 0.225 nan 8.370 nan 0.000 0.447 39 Q N -0.005 119.851 119.800 0.094 0.000 2.451 39 Q HA 0.570 4.911 4.340 0.001 0.000 0.281 39 Q C -0.840 175.221 176.000 0.100 0.000 1.099 39 Q CA -0.971 54.867 55.803 0.059 0.000 0.806 39 Q CB 2.139 30.863 28.738 -0.023 0.000 1.419 39 Q HN 0.179 nan 8.270 nan 0.000 0.427 40 Y N -1.685 118.617 120.300 0.003 0.000 2.634 40 Y HA 0.930 5.480 4.550 0.001 0.000 0.340 40 Y C -1.178 174.721 175.900 -0.001 0.000 1.058 40 Y CA -1.372 56.726 58.100 -0.003 0.000 1.081 40 Y CB 1.661 40.119 38.460 -0.003 0.000 1.295 40 Y HN 0.529 nan 8.280 nan 0.000 0.487 41 K N 0.755 121.259 120.400 0.173 0.000 2.501 41 K HA 0.626 4.947 4.320 0.001 0.000 0.252 41 K C -2.247 174.474 176.600 0.202 0.000 0.934 41 K CA -0.309 56.029 56.287 0.085 0.000 0.797 41 K CB 1.596 34.111 32.500 0.026 0.000 1.270 41 K HN 0.954 nan 8.250 nan 0.000 0.431 42 c N 2.960 121.669 118.600 0.182 0.000 2.319 42 c HA 0.439 5.010 4.570 0.001 0.000 0.335 42 c C -0.634 173.514 174.090 0.096 0.000 1.274 42 c CA -0.681 55.736 56.329 0.147 0.000 1.806 42 c CB 0.500 43.100 42.510 0.149 0.000 2.329 42 c HN 0.794 nan 8.230 nan 0.000 0.524 43 D N 1.758 122.208 120.400 0.082 0.000 2.380 43 D HA 0.221 4.862 4.640 0.001 0.000 0.230 43 D C 0.314 176.659 176.300 0.075 0.000 1.154 43 D CA -0.238 53.805 54.000 0.072 0.000 0.859 43 D CB 0.711 41.550 40.800 0.064 0.000 1.045 43 D HN 0.641 nan 8.370 nan 0.000 0.495 44 c N 2.697 121.350 118.600 0.089 0.000 2.673 44 c HA 0.127 4.698 4.570 0.001 0.000 0.274 44 c C 0.810 174.966 174.090 0.109 0.000 1.276 44 c CA -0.284 56.112 56.329 0.112 0.000 1.701 44 c CB -1.369 41.233 42.510 0.155 0.000 1.836 44 c HN 0.547 nan 8.230 nan 0.000 0.596 45 T N 1.917 116.519 114.554 0.080 0.000 2.765 45 T HA -0.024 4.327 4.350 0.001 0.000 0.275 45 T C 0.933 175.674 174.700 0.067 0.000 1.007 45 T CA 0.722 62.860 62.100 0.063 0.000 1.175 45 T CB -0.114 68.781 68.868 0.045 0.000 0.993 45 T HN 0.617 nan 8.240 nan 0.000 0.510 46 R N 0.322 120.860 120.500 0.064 0.000 3.863 46 R HA -0.232 4.108 4.340 0.001 0.000 0.313 46 R C 1.701 178.056 176.300 0.091 0.000 1.202 46 R CA 1.157 57.293 56.100 0.061 0.000 0.852 46 R CB -2.258 28.067 30.300 0.042 0.000 1.292 46 R HN 0.943 nan 8.270 nan 0.000 0.519 47 T N -4.955 109.679 114.554 0.133 0.000 3.014 47 T HA 0.188 4.539 4.350 0.001 0.000 0.263 47 T C 1.566 176.428 174.700 0.270 0.000 1.078 47 T CA 0.982 63.205 62.100 0.206 0.000 1.135 47 T CB 0.606 69.617 68.868 0.239 0.000 0.895 47 T HN 0.672 nan 8.240 nan 0.000 0.480 48 G N 0.662 109.559 108.800 0.161 0.000 2.175 48 G HA2 -0.140 3.821 3.960 0.001 0.000 0.244 48 G HA3 -0.140 3.821 3.960 0.001 0.000 0.244 48 G C -0.129 174.667 174.900 -0.173 0.000 0.982 48 G CA -0.026 45.067 45.100 -0.013 0.000 0.641 48 G HN 0.557 nan 8.290 nan 0.000 0.527 49 F N -0.237 119.773 119.950 0.100 0.000 2.593 49 F HA 0.793 5.321 4.527 0.001 0.000 0.320 49 F C 0.413 176.331 175.800 0.196 0.000 1.060 49 F CA -1.124 56.940 58.000 0.108 0.000 0.940 49 F CB 1.339 40.351 39.000 0.020 0.000 1.268 49 F HN 0.247 nan 8.300 nan 0.000 0.475 50 Y N -0.834 119.594 120.300 0.213 0.000 2.833 50 Y HA 0.961 5.512 4.550 0.001 0.000 0.319 50 Y C 0.162 176.136 175.900 0.123 0.000 1.254 50 Y CA -1.493 56.686 58.100 0.132 0.000 1.138 50 Y CB 1.142 39.650 38.460 0.079 0.000 1.352 50 Y HN 1.004 nan 8.280 nan 0.000 0.546 51 G N 0.145 109.044 108.800 0.165 0.000 2.603 51 G HA2 -0.215 3.745 3.960 0.001 0.000 0.686 51 G HA3 -0.215 3.745 3.960 0.001 0.000 0.686 51 G C 0.125 175.062 174.900 0.063 0.000 1.286 51 G CA -0.067 45.056 45.100 0.038 0.000 0.871 51 G HN 1.124 nan 8.290 nan 0.000 0.568 52 E N -0.410 119.814 120.200 0.040 0.000 2.118 52 E HA -0.153 4.197 4.350 0.001 0.000 0.195 52 E C 1.470 178.131 176.600 0.102 0.000 0.992 52 E CA 1.625 58.053 56.400 0.046 0.000 0.804 52 E CB -0.072 29.641 29.700 0.021 0.000 0.741 52 E HN 0.387 nan 8.360 nan 0.000 0.458 53 N N -0.837 117.907 118.700 0.074 0.000 2.200 53 N HA 0.087 4.828 4.740 0.001 0.000 0.224 53 N C -0.691 174.814 175.510 -0.009 0.000 1.179 53 N CA 0.384 53.473 53.050 0.064 0.000 0.877 53 N CB 0.600 39.108 38.487 0.037 0.000 1.072 53 N HN 0.124 nan 8.380 nan 0.000 0.519 54 c N 0.907 119.515 118.600 0.013 0.000 4.300 54 c HA -0.117 4.453 4.570 0.001 0.000 0.304 54 c C 1.714 175.721 174.090 -0.138 0.000 1.367 54 c CA 1.193 57.527 56.329 0.010 0.000 2.032 54 c CB -2.999 39.512 42.510 0.002 0.000 1.285 54 c HN 0.619 nan 8.230 nan 0.000 0.737 55 T N -5.036 109.467 114.554 -0.086 0.000 3.004 55 T HA 0.176 4.527 4.350 0.001 0.000 0.266 55 T C 0.261 175.020 174.700 0.099 0.000 0.986 55 T CA 0.573 62.601 62.100 -0.120 0.000 0.902 55 T CB 0.200 68.997 68.868 -0.118 0.000 1.118 55 T HN 0.512 nan 8.240 nan 0.000 0.522 56 T N 6.000 120.551 114.554 -0.006 0.000 2.723 56 T HA 0.405 4.756 4.350 0.001 0.000 0.297 56 T C -2.625 172.007 174.700 -0.113 0.000 0.925 56 T CA -1.058 60.913 62.100 -0.214 0.000 1.030 56 T CB 1.153 69.555 68.868 -0.778 0.000 0.905 56 T HN 0.288 nan 8.240 nan 0.000 0.502 57 P HA 0.278 nan 4.420 nan 0.000 0.277 57 P C -0.264 177.000 177.300 -0.060 0.000 1.240 57 P CA -0.604 62.312 63.100 -0.307 0.000 0.798 57 P CB 1.161 32.645 31.700 -0.359 0.000 0.979 58 E N 0.567 120.723 120.200 -0.074 0.000 2.349 58 E HA 0.095 4.446 4.350 0.001 0.000 0.262 58 E C 0.744 177.369 176.600 0.042 0.000 1.088 58 E CA -0.466 55.989 56.400 0.092 0.000 0.899 58 E CB 0.318 30.049 29.700 0.052 0.000 1.044 58 E HN 0.353 nan 8.360 nan 0.000 0.420 59 F N 1.893 121.834 119.950 -0.014 0.000 2.063 59 F HA -0.296 4.231 4.527 0.001 0.000 0.298 59 F C 1.913 177.684 175.800 -0.049 0.000 1.109 59 F CA 1.730 59.715 58.000 -0.024 0.000 1.212 59 F CB -0.165 38.826 39.000 -0.015 0.000 0.973 59 F HN 0.462 nan 8.300 nan 0.000 0.480 60 L N 0.165 121.447 121.223 0.099 0.000 2.127 60 L HA -0.177 4.163 4.340 0.001 0.000 0.211 60 L C 2.152 178.946 176.870 -0.126 0.000 1.089 60 L CA 2.546 57.382 54.840 -0.007 0.000 0.757 60 L CB -1.471 40.615 42.059 0.046 0.000 0.899 60 L HN 0.245 nan 8.230 nan 0.000 0.434 61 T N -0.185 114.270 114.554 -0.165 0.000 2.821 61 T HA -0.139 4.211 4.350 0.001 0.000 0.267 61 T C 1.929 176.493 174.700 -0.226 0.000 1.046 61 T CA 1.474 63.432 62.100 -0.236 0.000 1.139 61 T CB -0.212 68.381 68.868 -0.458 0.000 0.871 61 T HN 0.417 nan 8.240 nan 0.000 0.454 62 R N 0.403 120.749 120.500 -0.258 0.000 2.083 62 R HA -0.052 4.288 4.340 0.001 0.000 0.237 62 R C 2.329 178.491 176.300 -0.229 0.000 1.137 62 R CA 1.293 57.251 56.100 -0.238 0.000 0.951 62 R CB -0.706 29.416 30.300 -0.296 0.000 0.851 62 R HN 0.314 nan 8.270 nan 0.000 0.434 63 I N 1.456 121.843 120.570 -0.305 0.000 2.179 63 I HA -0.257 3.914 4.170 0.001 0.000 0.242 63 I C 2.313 178.354 176.117 -0.127 0.000 1.088 63 I CA 1.573 62.737 61.300 -0.228 0.000 1.357 63 I CB -0.308 37.550 38.000 -0.237 0.000 1.051 63 I HN 0.058 nan 8.210 nan 0.000 0.409 64 K N 0.040 120.375 120.400 -0.108 0.000 2.063 64 K HA -0.158 4.163 4.320 0.001 0.000 0.208 64 K C 2.086 178.666 176.600 -0.034 0.000 1.048 64 K CA 1.414 57.667 56.287 -0.058 0.000 0.928 64 K CB -0.391 32.080 32.500 -0.049 0.000 0.713 64 K HN 0.289 nan 8.250 nan 0.000 0.442 65 L N 0.437 121.636 121.223 -0.041 0.000 2.291 65 L HA -0.149 4.192 4.340 0.001 0.000 0.214 65 L C 1.932 178.792 176.870 -0.017 0.000 1.120 65 L CA 0.366 55.202 54.840 -0.008 0.000 0.799 65 L CB -0.134 41.930 42.059 0.009 0.000 0.925 65 L HN 0.075 nan 8.230 nan 0.000 0.446 66 L N -1.193 120.004 121.223 -0.044 0.000 2.240 66 L HA -0.090 4.250 4.340 0.001 0.000 0.211 66 L C 1.609 178.461 176.870 -0.030 0.000 1.106 66 L CA 1.193 56.009 54.840 -0.041 0.000 0.793 66 L CB -0.226 41.796 42.059 -0.062 0.000 0.927 66 L HN 0.152 nan 8.230 nan 0.000 0.446 67 L N -1.067 120.138 121.223 -0.029 0.000 2.667 67 L HA 0.179 4.520 4.340 0.001 0.000 0.232 67 L C 0.767 177.635 176.870 -0.004 0.000 1.138 67 L CA 0.313 55.141 54.840 -0.021 0.000 0.921 67 L CB -0.588 41.454 42.059 -0.029 0.000 1.180 67 L HN 0.044 nan 8.230 nan 0.000 0.487 68 K N 2.210 122.616 120.400 0.009 0.000 2.248 68 K HA 0.354 4.674 4.320 0.001 0.000 0.281 68 K C -2.182 174.438 176.600 0.033 0.000 1.054 68 K CA -1.532 54.775 56.287 0.034 0.000 0.903 68 K CB 1.051 33.582 32.500 0.051 0.000 1.077 68 K HN -0.080 nan 8.250 nan 0.000 0.474 69 P HA 0.073 nan 4.420 nan 0.000 0.276 69 P C -0.663 176.669 177.300 0.053 0.000 1.244 69 P CA -0.454 62.670 63.100 0.040 0.000 0.801 69 P CB 0.813 32.541 31.700 0.047 0.000 1.006 70 T N -1.272 113.310 114.554 0.045 0.000 2.900 70 T HA 0.128 4.478 4.350 0.001 0.000 0.307 70 T C -1.754 172.991 174.700 0.075 0.000 1.065 70 T CA -1.136 60.993 62.100 0.048 0.000 1.105 70 T CB -0.263 68.624 68.868 0.031 0.000 0.979 70 T HN 0.187 nan 8.240 nan 0.000 0.544 71 P HA -0.132 nan 4.420 nan 0.000 0.216 71 P C 1.389 178.770 177.300 0.135 0.000 1.154 71 P CA 1.036 64.197 63.100 0.101 0.000 0.865 71 P CB -0.020 31.723 31.700 0.072 0.000 0.789 72 N N -1.660 117.102 118.700 0.104 0.000 2.244 72 N HA -0.082 4.659 4.740 0.001 0.000 0.183 72 N C 1.666 177.289 175.510 0.189 0.000 1.016 72 N CA 1.326 54.456 53.050 0.133 0.000 0.866 72 N CB -1.191 37.342 38.487 0.077 0.000 0.980 72 N HN 0.151 nan 8.380 nan 0.000 0.430 73 T N 0.835 115.468 114.554 0.132 0.000 2.708 73 T HA -0.047 4.304 4.350 0.001 0.000 0.266 73 T C 2.136 176.948 174.700 0.187 0.000 1.037 73 T CA 0.892 63.066 62.100 0.124 0.000 1.146 73 T CB -0.257 68.651 68.868 0.067 0.000 0.865 73 T HN -0.035 nan 8.240 nan 0.000 0.435 74 V N 1.308 121.322 119.914 0.166 0.000 2.295 74 V HA -0.211 3.909 4.120 0.001 0.000 0.246 74 V C 2.378 178.562 176.094 0.151 0.000 1.049 74 V CA 1.764 64.153 62.300 0.150 0.000 1.024 74 V CB -0.757 31.139 31.823 0.121 0.000 0.648 74 V HN 0.633 nan 8.190 nan 0.000 0.447 75 H N -0.978 118.164 119.070 0.119 0.000 2.319 75 H HA -0.281 4.275 4.556 0.001 0.000 0.297 75 H C 2.317 177.741 175.328 0.161 0.000 1.097 75 H CA 2.669 58.796 56.048 0.132 0.000 1.285 75 H CB -0.241 29.617 29.762 0.161 0.000 1.368 75 H HN 0.547 nan 8.280 nan 0.000 0.495 76 Y N 0.942 121.363 120.300 0.201 0.000 2.128 76 Y HA -0.213 4.338 4.550 0.001 0.000 0.284 76 Y C 2.794 178.822 175.900 0.213 0.000 1.154 76 Y CA 2.041 60.263 58.100 0.205 0.000 1.149 76 Y CB -0.392 38.118 38.460 0.083 0.000 0.976 76 Y HN 0.121 nan 8.280 nan 0.000 0.505 77 I N -0.483 120.368 120.570 0.468 0.000 2.315 77 I HA -0.297 3.874 4.170 0.001 0.000 0.248 77 I C 2.050 178.477 176.117 0.516 0.000 1.117 77 I CA 0.690 62.339 61.300 0.582 0.000 1.404 77 I CB -0.331 37.974 38.000 0.508 0.000 1.071 77 I HN 0.307 nan 8.210 nan 0.000 0.419 78 L N 0.568 121.841 121.223 0.084 0.000 2.291 78 L HA -0.106 4.234 4.340 0.001 0.000 0.214 78 L C 2.337 178.940 176.870 -0.445 0.000 1.120 78 L CA 2.059 56.648 54.840 -0.419 0.000 0.799 78 L CB -1.182 40.194 42.059 -1.138 0.000 0.925 78 L HN 0.443 nan 8.230 nan 0.000 0.446 79 T N -5.254 109.085 114.554 -0.358 0.000 3.092 79 T HA 0.157 4.507 4.350 0.001 0.000 0.258 79 T C 0.454 174.799 174.700 -0.591 0.000 1.031 79 T CA -0.254 61.484 62.100 -0.603 0.000 0.925 79 T CB 0.045 68.499 68.868 -0.689 0.000 1.036 79 T HN 0.218 nan 8.240 nan 0.000 0.544 80 H N -0.625 118.339 119.070 -0.176 0.000 2.869 80 H HA 0.600 5.156 4.556 0.001 0.000 0.342 80 H C -0.661 174.674 175.328 0.011 0.000 1.250 80 H CA -1.692 54.157 56.048 -0.332 0.000 1.217 80 H CB 0.641 29.735 29.762 -1.113 0.000 1.917 80 H HN 0.074 nan 8.280 nan 0.000 0.586 81 F N -0.497 119.635 119.950 0.304 0.000 2.983 81 F HA -0.276 4.252 4.527 0.001 0.000 0.288 81 F C 1.524 177.428 175.800 0.173 0.000 0.980 81 F CA 0.504 58.604 58.000 0.168 0.000 0.965 81 F CB -0.895 38.152 39.000 0.078 0.000 0.967 81 F HN 0.526 nan 8.300 nan 0.000 0.800 82 K N 1.265 121.743 120.400 0.131 0.000 2.063 82 K HA -0.107 4.214 4.320 0.001 0.000 0.208 82 K C 2.268 178.895 176.600 0.045 0.000 1.048 82 K CA 1.655 57.878 56.287 -0.107 0.000 0.928 82 K CB -0.501 31.711 32.500 -0.480 0.000 0.713 82 K HN 0.560 nan 8.250 nan 0.000 0.442 83 G N 0.363 109.190 108.800 0.044 0.000 2.440 83 G HA2 -0.223 3.737 3.960 0.001 0.000 0.218 83 G HA3 -0.223 3.737 3.960 0.001 0.000 0.218 83 G C 1.444 176.361 174.900 0.028 0.000 1.154 83 G CA 1.078 46.198 45.100 0.033 0.000 0.767 83 G HN 0.213 nan 8.290 nan 0.000 0.552 84 V N -0.475 119.436 119.914 -0.006 0.000 2.307 84 V HA -0.147 3.973 4.120 0.001 0.000 0.245 84 V C 2.431 178.463 176.094 -0.103 0.000 1.045 84 V CA 1.721 63.940 62.300 -0.134 0.000 1.024 84 V CB -0.769 30.864 31.823 -0.315 0.000 0.651 84 V HN 0.594 nan 8.190 nan 0.000 0.449 85 W N 0.444 121.805 121.300 0.103 0.000 2.374 85 W HA -0.138 4.523 4.660 0.001 0.000 0.288 85 W C 2.402 178.977 176.519 0.094 0.000 1.218 85 W CA 1.401 58.827 57.345 0.136 0.000 1.245 85 W CB -0.579 29.002 29.460 0.202 0.000 1.126 85 W HN 0.265 nan 8.180 nan 0.000 0.545 86 N N 0.501 119.349 118.700 0.246 0.000 2.104 86 N HA -0.207 4.533 4.740 0.001 0.000 0.190 86 N C 1.555 177.129 175.510 0.107 0.000 1.024 86 N CA 1.708 54.842 53.050 0.138 0.000 0.853 86 N CB -0.278 38.253 38.487 0.073 0.000 1.008 86 N HN 0.071 nan 8.380 nan 0.000 0.424 87 I N -0.232 120.385 120.570 0.079 0.000 2.193 87 I HA -0.204 3.967 4.170 0.001 0.000 0.240 87 I C 2.041 178.200 176.117 0.071 0.000 1.084 87 I CA 0.618 61.948 61.300 0.050 0.000 1.365 87 I CB -0.252 37.753 38.000 0.008 0.000 1.064 87 I HN -0.005 nan 8.210 nan 0.000 0.410 88 V N 1.520 121.489 119.914 0.091 0.000 2.282 88 V HA -0.315 3.806 4.120 0.001 0.000 0.249 88 V C 2.151 178.362 176.094 0.195 0.000 1.057 88 V CA 2.041 64.422 62.300 0.135 0.000 1.032 88 V CB -0.926 31.022 31.823 0.208 0.000 0.645 88 V HN 0.466 nan 8.190 nan 0.000 0.447 89 N N 0.731 119.569 118.700 0.229 0.000 2.205 89 N HA -0.130 4.611 4.740 0.001 0.000 0.186 89 N C 1.348 176.908 175.510 0.084 0.000 1.015 89 N CA 1.163 54.298 53.050 0.142 0.000 0.862 89 N CB -0.477 38.070 38.487 0.100 0.000 0.986 89 N HN 0.521 nan 8.380 nan 0.000 0.429 90 N N 0.387 119.136 118.700 0.082 0.000 2.314 90 N HA 0.136 4.877 4.740 0.001 0.000 0.200 90 N C -0.324 175.230 175.510 0.073 0.000 1.135 90 N CA 0.105 53.194 53.050 0.065 0.000 0.835 90 N CB 0.810 39.330 38.487 0.055 0.000 0.989 90 N HN 0.278 nan 8.380 nan 0.000 0.478 91 I N 1.410 122.028 120.570 0.079 0.000 2.503 91 I HA 0.217 4.388 4.170 0.001 0.000 0.277 91 I C -1.644 174.524 176.117 0.086 0.000 1.078 91 I CA -1.933 59.423 61.300 0.092 0.000 1.184 91 I CB 1.777 39.816 38.000 0.066 0.000 1.353 91 I HN -0.312 nan 8.210 nan 0.000 0.490 92 P HA -0.267 nan 4.420 nan 0.000 0.216 92 P C 1.707 179.087 177.300 0.133 0.000 1.157 92 P CA 1.726 64.897 63.100 0.118 0.000 0.880 92 P CB 0.011 31.787 31.700 0.127 0.000 0.791 93 F N -0.858 119.136 119.950 0.072 0.000 2.171 93 F HA -0.126 4.402 4.527 0.001 0.000 0.300 93 F C 1.964 177.817 175.800 0.087 0.000 1.090 93 F CA 1.218 59.260 58.000 0.070 0.000 1.293 93 F CB -1.294 37.739 39.000 0.054 0.000 1.013 93 F HN -0.203 nan 8.300 nan 0.000 0.486 94 L N 0.336 121.030 121.223 -0.881 0.000 2.027 94 L HA -0.140 4.200 4.340 0.001 0.000 0.206 94 L C 2.983 179.771 176.870 -0.136 0.000 1.074 94 L CA 1.543 55.982 54.840 -0.668 0.000 0.745 94 L CB -0.544 41.223 42.059 -0.486 0.000 0.898 94 L HN 0.185 nan 8.230 nan 0.000 0.433 95 R N -0.562 119.964 120.500 0.043 0.000 2.096 95 R HA -0.197 4.144 4.340 0.001 0.000 0.240 95 R C 2.322 178.763 176.300 0.234 0.000 1.139 95 R CA 2.070 58.328 56.100 0.263 0.000 0.952 95 R CB -0.151 30.245 30.300 0.160 0.000 0.854 95 R HN 0.264 nan 8.270 nan 0.000 0.436 96 S N 0.933 116.704 115.700 0.118 0.000 2.382 96 S HA -0.135 4.336 4.470 0.001 0.000 0.228 96 S C 1.789 176.451 174.600 0.103 0.000 1.027 96 S CA 1.149 59.414 58.200 0.109 0.000 0.991 96 S CB -0.222 63.038 63.200 0.100 0.000 0.823 96 S HN 0.383 nan 8.310 nan 0.000 0.469 97 L N 1.197 122.455 121.223 0.057 0.000 2.056 97 L HA -0.092 4.249 4.340 0.001 0.000 0.207 97 L C 1.938 178.852 176.870 0.075 0.000 1.078 97 L CA 1.223 56.094 54.840 0.052 0.000 0.749 97 L CB -0.274 41.767 42.059 -0.029 0.000 0.901 97 L HN 0.234 nan 8.230 nan 0.000 0.433 98 I N -0.402 120.199 120.570 0.052 0.000 2.142 98 I HA -0.322 3.848 4.170 0.001 0.000 0.240 98 I C 2.570 178.745 176.117 0.097 0.000 1.078 98 I CA 1.633 62.924 61.300 -0.015 0.000 1.343 98 I CB -0.952 36.859 38.000 -0.315 0.000 1.046 98 I HN 0.417 nan 8.210 nan 0.000 0.405 99 M N 0.961 120.706 119.600 0.242 0.000 2.159 99 M HA -0.212 4.268 4.480 0.001 0.000 0.263 99 M C 2.237 178.624 176.300 0.144 0.000 1.063 99 M CA 1.755 57.211 55.300 0.261 0.000 1.110 99 M CB -0.514 32.257 32.600 0.285 0.000 1.374 99 M HN 0.066 nan 8.290 nan 0.000 0.411 100 K N -1.340 119.132 120.400 0.120 0.000 2.044 100 K HA -0.268 4.053 4.320 0.001 0.000 0.210 100 K C 2.139 178.803 176.600 0.107 0.000 1.049 100 K CA 2.009 58.346 56.287 0.082 0.000 0.927 100 K CB -0.585 31.967 32.500 0.087 0.000 0.713 100 K HN 0.480 nan 8.250 nan 0.000 0.443 101 Y N 1.236 121.556 120.300 0.034 0.000 2.242 101 Y HA -0.198 4.352 4.550 0.001 0.000 0.291 101 Y C 1.941 177.876 175.900 0.058 0.000 1.137 101 Y CA 1.516 59.638 58.100 0.037 0.000 1.181 101 Y CB -0.231 38.238 38.460 0.014 0.000 0.989 101 Y HN 0.036 nan 8.280 nan 0.000 0.527 102 V N -1.258 118.659 119.914 0.004 0.000 2.307 102 V HA -0.208 3.913 4.120 0.001 0.000 0.245 102 V C 2.105 178.164 176.094 -0.058 0.000 1.045 102 V CA 1.762 64.031 62.300 -0.052 0.000 1.024 102 V CB -1.059 30.823 31.823 0.099 0.000 0.651 102 V HN 0.342 nan 8.190 nan 0.000 0.449 103 L N 2.015 123.235 121.223 -0.005 0.000 2.013 103 L HA -0.150 4.191 4.340 0.001 0.000 0.212 103 L C 3.026 179.905 176.870 0.015 0.000 1.073 103 L CA 3.019 57.856 54.840 -0.005 0.000 0.753 103 L CB -1.727 40.296 42.059 -0.060 0.000 0.890 103 L HN 0.783 nan 8.230 nan 0.000 0.432 104 T N -4.368 110.179 114.554 -0.012 0.000 2.896 104 T HA -0.099 4.251 4.350 0.001 0.000 0.263 104 T C 2.033 176.773 174.700 0.066 0.000 1.050 104 T CA 1.095 63.232 62.100 0.061 0.000 1.140 104 T CB -0.607 68.292 68.868 0.050 0.000 0.877 104 T HN 0.389 nan 8.240 nan 0.000 0.457 105 S N 1.416 117.047 115.700 -0.117 0.000 2.387 105 S HA -0.006 4.464 4.470 0.001 0.000 0.226 105 S C 2.274 176.945 174.600 0.119 0.000 1.026 105 S CA 0.334 58.524 58.200 -0.018 0.000 0.972 105 S CB -0.413 62.451 63.200 -0.560 0.000 0.814 105 S HN 0.266 nan 8.310 nan 0.000 0.477 106 R N 1.801 122.294 120.500 -0.013 0.000 2.080 106 R HA 0.147 4.487 4.340 0.001 0.000 0.236 106 R C 2.716 178.991 176.300 -0.041 0.000 1.137 106 R CA 1.873 57.959 56.100 -0.025 0.000 0.943 106 R CB -1.326 28.978 30.300 0.006 0.000 0.846 106 R HN 0.520 nan 8.270 nan 0.000 0.431 107 S N -0.132 115.605 115.700 0.062 0.000 2.423 107 S HA -0.143 4.328 4.470 0.001 0.000 0.231 107 S C 1.630 176.241 174.600 0.019 0.000 1.014 107 S CA 1.081 59.328 58.200 0.080 0.000 0.965 107 S CB -0.414 62.961 63.200 0.291 0.000 0.785 107 S HN 0.575 nan 8.310 nan 0.000 0.495 108 Y N 1.222 121.512 120.300 -0.017 0.000 2.384 108 Y HA 0.007 4.558 4.550 0.001 0.000 0.289 108 Y C 1.621 177.481 175.900 -0.066 0.000 1.152 108 Y CA 0.693 58.768 58.100 -0.042 0.000 1.258 108 Y CB -0.448 37.994 38.460 -0.030 0.000 0.979 108 Y HN 0.092 nan 8.280 nan 0.000 0.549 109 L N 0.904 121.715 121.223 -0.685 0.000 2.362 109 L HA -0.030 4.311 4.340 0.001 0.000 0.219 109 L C 0.460 177.116 176.870 -0.357 0.000 1.134 109 L CA 0.722 55.190 54.840 -0.620 0.000 0.807 109 L CB -0.787 40.986 42.059 -0.477 0.000 0.927 109 L HN 0.284 nan 8.230 nan 0.000 0.447 110 I N 0.022 120.468 120.570 -0.206 0.000 2.428 110 I HA 0.167 4.338 4.170 0.001 0.000 0.296 110 I C 0.070 176.132 176.117 -0.093 0.000 0.985 110 I CA -1.015 60.218 61.300 -0.113 0.000 1.260 110 I CB 0.973 38.942 38.000 -0.051 0.000 1.389 110 I HN -0.128 nan 8.210 nan 0.000 0.484 111 D N 3.751 124.114 120.400 -0.061 0.000 2.343 111 D HA 0.255 4.896 4.640 0.001 0.000 0.255 111 D C -0.102 176.154 176.300 -0.074 0.000 1.187 111 D CA 0.451 54.410 54.000 -0.068 0.000 0.875 111 D CB 0.891 41.652 40.800 -0.066 0.000 1.136 111 D HN 0.389 nan 8.370 nan 0.000 0.469 112 S N 2.644 118.288 115.700 -0.094 0.000 2.706 112 S HA 0.383 4.853 4.470 0.001 0.000 0.270 112 S C -2.682 171.854 174.600 -0.107 0.000 1.163 112 S CA -1.226 56.909 58.200 -0.108 0.000 1.042 112 S CB 0.737 63.839 63.200 -0.164 0.000 1.079 112 S HN 0.049 nan 8.310 nan 0.000 0.474 113 P HA 0.238 nan 4.420 nan 0.000 0.267 113 P C -2.542 174.726 177.300 -0.053 0.000 1.201 113 P CA -0.710 62.365 63.100 -0.042 0.000 0.775 113 P CB -0.069 31.588 31.700 -0.072 0.000 0.854 114 P HA 0.117 nan 4.420 nan 0.000 0.278 114 P C -0.082 177.148 177.300 -0.116 0.000 1.258 114 P CA -0.188 62.869 63.100 -0.071 0.000 0.811 114 P CB 1.169 32.816 31.700 -0.088 0.000 1.063 115 T N -2.034 112.393 114.554 -0.211 0.000 3.257 115 T HA 0.217 4.568 4.350 0.001 0.000 0.176 115 T C 0.548 175.012 174.700 -0.393 0.000 0.892 115 T CA 0.101 61.947 62.100 -0.422 0.000 1.147 115 T CB -0.911 67.498 68.868 -0.766 0.000 1.840 115 T HN 0.254 nan 8.240 nan 0.000 0.375 116 Y N 3.592 123.854 120.300 -0.064 0.000 2.298 116 Y HA 0.579 5.130 4.550 0.001 0.000 0.329 116 Y C 0.891 176.726 175.900 -0.108 0.000 1.293 116 Y CA -0.577 57.474 58.100 -0.081 0.000 1.388 116 Y CB 0.540 38.967 38.460 -0.055 0.000 1.309 116 Y HN 0.755 nan 8.280 nan 0.000 0.544 117 N N -2.223 116.496 118.700 0.032 0.000 3.278 117 N HA 0.169 4.909 4.740 0.001 0.000 0.307 117 N C -0.167 175.310 175.510 -0.056 0.000 1.551 117 N CA -0.738 52.265 53.050 -0.077 0.000 0.794 117 N CB 0.406 38.682 38.487 -0.351 0.000 1.770 117 N HN 0.408 nan 8.380 nan 0.000 0.612 118 V N -0.225 119.638 119.914 -0.084 0.000 2.469 118 V HA -0.195 3.926 4.120 0.001 0.000 0.251 118 V C 1.263 177.321 176.094 -0.060 0.000 1.064 118 V CA 1.961 64.216 62.300 -0.076 0.000 1.066 118 V CB -0.958 30.776 31.823 -0.149 0.000 0.667 118 V HN 0.689 nan 8.190 nan 0.000 0.461 119 H N -3.023 116.004 119.070 -0.073 0.000 2.563 119 H HA 0.198 4.754 4.556 0.001 0.000 0.264 119 H C -0.435 174.501 175.328 -0.653 0.000 0.957 119 H CA 0.027 55.915 56.048 -0.266 0.000 1.173 119 H CB 0.343 29.985 29.762 -0.200 0.000 1.420 119 H HN 0.467 nan 8.280 nan 0.000 0.551 120 Y N -0.163 120.051 120.300 -0.143 0.000 2.363 120 Y HA 0.311 4.861 4.550 0.001 0.000 0.325 120 Y C 0.786 176.557 175.900 -0.216 0.000 0.984 120 Y CA -0.839 57.049 58.100 -0.354 0.000 1.248 120 Y CB 1.883 40.081 38.460 -0.436 0.000 1.116 120 Y HN 0.059 nan 8.280 nan 0.000 0.470 121 G N 2.682 111.397 108.800 -0.142 0.000 3.371 121 G HA2 0.197 4.158 3.960 0.001 0.000 0.248 121 G HA3 0.197 4.158 3.960 0.001 0.000 0.248 121 G C -0.627 174.364 174.900 0.153 0.000 1.161 121 G CA 0.126 45.193 45.100 -0.055 0.000 0.796 121 G HN 0.554 nan 8.290 nan 0.000 0.539 122 Y N -2.616 117.898 120.300 0.357 0.000 2.562 122 Y HA 0.679 5.229 4.550 0.001 0.000 0.345 122 Y C -0.299 175.775 175.900 0.290 0.000 1.045 122 Y CA -2.279 56.034 58.100 0.356 0.000 1.028 122 Y CB 0.940 39.524 38.460 0.206 0.000 1.297 122 Y HN -0.209 nan 8.280 nan 0.000 0.463 123 K N 2.072 122.654 120.400 0.304 0.000 2.382 123 K HA 0.536 4.856 4.320 0.001 0.000 0.275 123 K C -0.407 176.290 176.600 0.162 0.000 1.009 123 K CA 0.148 56.462 56.287 0.046 0.000 0.970 123 K CB 0.729 33.198 32.500 -0.053 0.000 0.934 123 K HN 0.902 nan 8.250 nan 0.000 0.479 124 S N 0.976 116.666 115.700 -0.016 0.000 2.570 124 S HA 0.171 4.642 4.470 0.001 0.000 0.270 124 S C 0.051 174.634 174.600 -0.029 0.000 1.149 124 S CA -1.114 57.089 58.200 0.004 0.000 0.837 124 S CB 0.627 63.701 63.200 -0.209 0.000 1.124 124 S HN 0.904 nan 8.310 nan 0.000 0.465 125 W N 1.325 122.589 121.300 -0.061 0.000 2.392 125 W HA -0.092 4.569 4.660 0.001 0.000 0.279 125 W C 1.517 178.012 176.519 -0.041 0.000 1.225 125 W CA 2.215 59.568 57.345 0.013 0.000 1.233 125 W CB -0.052 29.427 29.460 0.031 0.000 1.122 125 W HN 1.049 nan 8.180 nan 0.000 0.561 126 E N 0.815 120.936 120.200 -0.132 0.000 2.047 126 E HA -0.151 4.200 4.350 0.001 0.000 0.191 126 E C 2.229 178.573 176.600 -0.428 0.000 0.987 126 E CA 2.359 58.608 56.400 -0.253 0.000 0.799 126 E CB -0.707 28.812 29.700 -0.302 0.000 0.752 126 E HN 0.060 nan 8.360 nan 0.000 0.449 127 A N -0.158 122.274 122.820 -0.647 0.000 1.930 127 A HA -0.085 4.236 4.320 0.001 0.000 0.217 127 A C 2.170 179.514 177.584 -0.400 0.000 1.175 127 A CA 1.323 53.033 52.037 -0.546 0.000 0.627 127 A CB -0.902 17.807 19.000 -0.485 0.000 0.815 127 A HN 0.476 nan 8.150 nan 0.000 0.443 128 F N 2.124 121.769 119.950 -0.508 0.000 2.113 128 F HA -0.167 4.361 4.527 0.001 0.000 0.297 128 F C 2.588 178.051 175.800 -0.562 0.000 1.103 128 F CA 2.120 59.786 58.000 -0.556 0.000 1.248 128 F CB -0.431 38.136 39.000 -0.723 0.000 0.999 128 F HN 0.274 nan 8.300 nan 0.000 0.475 129 S N -0.693 114.413 115.700 -0.991 0.000 2.446 129 S HA -0.038 4.433 4.470 0.001 0.000 0.225 129 S C 0.976 175.304 174.600 -0.453 0.000 1.016 129 S CA 0.196 57.869 58.200 -0.878 0.000 0.943 129 S CB -0.761 62.113 63.200 -0.544 0.000 0.786 129 S HN 0.396 nan 8.310 nan 0.000 0.508 130 N N 1.958 120.500 118.700 -0.263 0.000 2.415 130 N HA 0.220 4.961 4.740 0.001 0.000 0.250 130 N C 0.446 175.960 175.510 0.006 0.000 1.127 130 N CA -0.164 52.878 53.050 -0.013 0.000 0.945 130 N CB 0.366 38.997 38.487 0.240 0.000 1.196 130 N HN 0.359 nan 8.380 nan 0.000 0.499 131 L N 1.765 122.966 121.223 -0.037 0.000 2.551 131 L HA -0.024 4.316 4.340 0.001 0.000 0.228 131 L C 1.701 178.654 176.870 0.140 0.000 1.153 131 L CA 0.330 55.179 54.840 0.015 0.000 0.851 131 L CB -0.087 41.974 42.059 0.003 0.000 0.959 131 L HN 0.418 nan 8.230 nan 0.000 0.451 132 S N -1.512 114.244 115.700 0.093 0.000 2.515 132 S HA -0.009 4.462 4.470 0.001 0.000 0.231 132 S C 0.375 174.984 174.600 0.014 0.000 0.987 132 S CA 0.346 58.569 58.200 0.038 0.000 0.936 132 S CB -0.162 63.051 63.200 0.021 0.000 0.766 132 S HN 0.231 nan 8.310 nan 0.000 0.528 133 Y N 0.470 120.761 120.300 -0.014 0.000 2.301 133 Y HA 0.326 4.877 4.550 0.001 0.000 0.325 133 Y C 0.199 176.020 175.900 -0.131 0.000 1.203 133 Y CA -1.055 56.918 58.100 -0.211 0.000 1.255 133 Y CB 0.325 38.656 38.460 -0.216 0.000 1.232 133 Y HN 0.051 nan 8.280 nan 0.000 0.501 134 Y N 0.891 121.242 120.300 0.085 0.000 2.480 134 Y HA 0.080 4.631 4.550 0.001 0.000 0.338 134 Y C 1.008 176.945 175.900 0.063 0.000 1.220 134 Y CA 0.057 58.221 58.100 0.107 0.000 1.430 134 Y CB 0.510 38.990 38.460 0.034 0.000 1.311 134 Y HN 0.534 nan 8.280 nan 0.000 0.575 135 T N 3.000 117.680 114.554 0.210 0.000 2.810 135 T HA 0.489 4.839 4.350 0.001 0.000 0.277 135 T C -0.448 174.310 174.700 0.096 0.000 0.973 135 T CA -0.795 61.352 62.100 0.079 0.000 0.949 135 T CB 0.404 69.279 68.868 0.012 0.000 1.075 135 T HN 0.439 nan 8.240 nan 0.000 0.537 136 R N 1.241 121.802 120.500 0.102 0.000 2.483 136 R HA 0.518 4.859 4.340 0.001 0.000 0.303 136 R C 0.821 177.249 176.300 0.213 0.000 0.987 136 R CA -0.401 55.775 56.100 0.127 0.000 0.881 136 R CB 1.250 31.611 30.300 0.101 0.000 1.177 136 R HN 0.748 nan 8.270 nan 0.000 0.451 137 A N 4.027 127.010 122.820 0.272 0.000 1.908 137 A HA -0.034 4.286 4.320 0.001 0.000 0.218 137 A C 0.790 178.499 177.584 0.209 0.000 1.181 137 A CA 1.191 53.432 52.037 0.340 0.000 0.627 137 A CB 0.049 19.435 19.000 0.644 0.000 0.818 137 A HN 0.505 nan 8.150 nan 0.000 0.445 138 L N 0.232 121.544 121.223 0.148 0.000 2.362 138 L HA 0.372 4.713 4.340 0.001 0.000 0.271 138 L C -2.422 174.340 176.870 -0.179 0.000 1.002 138 L CA -2.621 52.142 54.840 -0.129 0.000 0.818 138 L CB 2.387 44.160 42.059 -0.476 0.000 1.298 138 L HN 0.042 nan 8.230 nan 0.000 0.420 139 P HA 0.128 nan 4.420 nan 0.000 0.270 139 P C -2.690 174.475 177.300 -0.226 0.000 1.223 139 P CA -1.175 61.645 63.100 -0.468 0.000 0.785 139 P CB -0.269 30.919 31.700 -0.854 0.000 0.923 140 P HA 0.028 nan 4.420 nan 0.000 0.272 140 P C -0.186 177.086 177.300 -0.046 0.000 1.223 140 P CA -0.047 63.035 63.100 -0.031 0.000 0.784 140 P CB 0.393 32.101 31.700 0.014 0.000 0.923 141 V N 1.913 121.826 119.914 -0.002 0.000 2.585 141 V HA 0.118 4.239 4.120 0.001 0.000 0.296 141 V C 1.243 177.341 176.094 0.008 0.000 1.035 141 V CA -0.002 62.294 62.300 -0.005 0.000 1.084 141 V CB -0.111 31.726 31.823 0.024 0.000 0.953 141 V HN 0.749 nan 8.190 nan 0.000 0.483 142 A N 4.096 126.916 122.820 0.000 0.000 2.520 142 A HA 0.073 4.394 4.320 0.001 0.000 0.235 142 A C 1.230 178.831 177.584 0.028 0.000 1.065 142 A CA -0.170 51.878 52.037 0.018 0.000 0.764 142 A CB -0.038 18.975 19.000 0.022 0.000 1.002 142 A HN 0.911 nan 8.150 nan 0.000 0.502 143 D N 0.597 121.017 120.400 0.034 0.000 2.149 143 D HA -0.152 4.489 4.640 0.001 0.000 0.198 143 D C 1.256 177.577 176.300 0.035 0.000 0.990 143 D CA 1.852 55.874 54.000 0.037 0.000 0.839 143 D CB -0.055 40.767 40.800 0.036 0.000 0.948 143 D HN 0.828 nan 8.370 nan 0.000 0.460 144 D N -0.135 120.286 120.400 0.036 0.000 2.339 144 D HA -0.054 4.587 4.640 0.001 0.000 0.217 144 D C 0.152 176.472 176.300 0.034 0.000 1.050 144 D CA -0.186 53.836 54.000 0.038 0.000 0.856 144 D CB -0.305 40.523 40.800 0.046 0.000 0.922 144 D HN 0.033 nan 8.370 nan 0.000 0.518 145 c N 2.802 121.420 118.600 0.029 0.000 2.662 145 c HA 0.097 4.668 4.570 0.001 0.000 0.420 145 c C -0.188 173.917 174.090 0.025 0.000 1.314 145 c CA -1.047 55.296 56.329 0.024 0.000 1.963 145 c CB 1.054 43.574 42.510 0.017 0.000 2.686 145 c HN 0.304 nan 8.230 nan 0.000 0.609 146 P HA -0.043 nan 4.420 nan 0.000 0.220 146 P C 0.507 177.822 177.300 0.025 0.000 1.148 146 P CA 1.487 64.601 63.100 0.023 0.000 0.803 146 P CB -0.064 31.649 31.700 0.022 0.000 0.782 147 T N -5.639 108.931 114.554 0.027 0.000 2.907 147 T HA 0.482 4.833 4.350 0.001 0.000 0.290 147 T C -2.378 172.345 174.700 0.039 0.000 1.066 147 T CA -2.099 60.021 62.100 0.033 0.000 1.012 147 T CB 1.898 70.789 68.868 0.037 0.000 1.184 147 T HN -0.328 nan 8.240 nan 0.000 0.522 148 P HA 0.074 nan 4.420 nan 0.000 0.219 148 P C 1.247 178.588 177.300 0.068 0.000 1.150 148 P CA 0.842 63.977 63.100 0.059 0.000 0.814 148 P CB 0.036 31.777 31.700 0.067 0.000 0.787 149 M N -2.343 117.299 119.600 0.069 0.000 2.428 149 M HA 0.306 4.787 4.480 0.001 0.000 0.239 149 M C 1.292 177.610 176.300 0.030 0.000 1.121 149 M CA 0.469 55.809 55.300 0.066 0.000 1.019 149 M CB -0.496 32.154 32.600 0.083 0.000 1.485 149 M HN 0.083 nan 8.290 nan 0.000 0.484 150 G N 0.256 109.070 108.800 0.023 0.000 1.676 150 G HA2 -0.201 3.759 3.960 0.001 0.000 0.199 150 G HA3 -0.201 3.759 3.960 0.001 0.000 0.199 150 G C 0.324 175.228 174.900 0.007 0.000 1.990 150 G CA 0.321 45.422 45.100 0.002 0.000 1.393 150 G HN 0.340 nan 8.290 nan 0.000 0.449 151 V N -1.235 118.681 119.914 0.004 0.000 3.539 151 V HA 0.537 4.657 4.120 0.001 0.000 0.262 151 V C 0.780 176.886 176.094 0.019 0.000 1.381 151 V CA 1.204 63.510 62.300 0.010 0.000 1.060 151 V CB 0.152 31.975 31.823 0.001 0.000 0.842 151 V HN 0.404 nan 8.190 nan 0.000 0.445 152 K N 1.640 122.054 120.400 0.023 0.000 2.126 152 K HA 0.601 4.922 4.320 0.001 0.000 0.257 152 K C 0.688 177.321 176.600 0.055 0.000 1.007 152 K CA 0.822 57.131 56.287 0.037 0.000 0.928 152 K CB 0.817 33.339 32.500 0.036 0.000 1.013 152 K HN 0.769 nan 8.250 nan 0.000 0.473 153 G N 1.304 110.142 108.800 0.064 0.000 2.725 153 G HA2 -0.225 3.736 3.960 0.001 0.000 0.220 153 G HA3 -0.225 3.736 3.960 0.001 0.000 0.220 153 G C -0.736 174.197 174.900 0.054 0.000 1.357 153 G CA -0.826 44.320 45.100 0.077 0.000 0.866 153 G HN 0.613 nan 8.290 nan 0.000 0.548 154 N N 0.132 118.861 118.700 0.048 0.000 2.405 154 N HA 0.302 5.042 4.740 0.001 0.000 0.269 154 N C 1.474 176.999 175.510 0.025 0.000 1.249 154 N CA -0.346 52.721 53.050 0.028 0.000 0.974 154 N CB 0.566 39.060 38.487 0.013 0.000 1.204 154 N HN 0.507 nan 8.380 nan 0.000 0.565 155 K N 0.767 121.176 120.400 0.016 0.000 2.148 155 K HA 0.018 4.339 4.320 0.001 0.000 0.204 155 K C 0.072 176.680 176.600 0.014 0.000 1.050 155 K CA 1.262 57.559 56.287 0.016 0.000 0.942 155 K CB 0.098 32.605 32.500 0.011 0.000 0.724 155 K HN 0.553 nan 8.250 nan 0.000 0.446 156 E N 0.834 121.036 120.200 0.005 0.000 2.222 156 E HA 0.191 4.541 4.350 0.001 0.000 0.267 156 E C -0.694 175.897 176.600 -0.015 0.000 0.884 156 E CA -0.862 55.536 56.400 -0.002 0.000 0.764 156 E CB 1.682 31.375 29.700 -0.012 0.000 1.169 156 E HN -0.174 nan 8.360 nan 0.000 0.413 157 L N 3.616 124.833 121.223 -0.010 0.000 2.482 157 L HA 0.125 4.465 4.340 0.001 0.000 0.273 157 L C -1.811 174.984 176.870 -0.125 0.000 1.228 157 L CA -1.246 53.566 54.840 -0.046 0.000 0.827 157 L CB -0.788 41.279 42.059 0.013 0.000 1.099 157 L HN 0.385 nan 8.230 nan 0.000 0.494 158 P HA -0.038 nan 4.420 nan 0.000 0.269 158 P C -0.473 176.727 177.300 -0.168 0.000 1.215 158 P CA -0.396 62.539 63.100 -0.274 0.000 0.780 158 P CB 0.355 31.749 31.700 -0.509 0.000 0.898 159 D N 1.363 121.694 120.400 -0.115 0.000 2.520 159 D HA -0.064 4.577 4.640 0.001 0.000 0.243 159 D C 1.234 177.502 176.300 -0.053 0.000 1.160 159 D CA 0.411 54.371 54.000 -0.067 0.000 0.877 159 D CB 0.766 41.534 40.800 -0.053 0.000 1.150 159 D HN 0.327 nan 8.370 nan 0.000 0.494 160 S N 4.047 119.731 115.700 -0.026 0.000 2.399 160 S HA -0.222 4.248 4.470 0.001 0.000 0.231 160 S C 1.773 176.380 174.600 0.012 0.000 1.022 160 S CA 0.843 59.045 58.200 0.004 0.000 0.983 160 S CB -0.030 63.175 63.200 0.009 0.000 0.803 160 S HN 0.621 nan 8.310 nan 0.000 0.480 161 K N 1.053 121.452 120.400 -0.002 0.000 2.097 161 K HA -0.118 4.202 4.320 0.001 0.000 0.206 161 K C 2.184 178.783 176.600 -0.002 0.000 1.049 161 K CA 1.485 57.772 56.287 0.001 0.000 0.933 161 K CB -0.147 32.349 32.500 -0.006 0.000 0.717 161 K HN 0.356 nan 8.250 nan 0.000 0.442 162 E N -0.028 120.162 120.200 -0.016 0.000 2.047 162 E HA -0.132 4.218 4.350 0.001 0.000 0.191 162 E C 1.823 178.417 176.600 -0.009 0.000 0.987 162 E CA 1.275 57.662 56.400 -0.023 0.000 0.799 162 E CB 0.003 29.675 29.700 -0.047 0.000 0.752 162 E HN 0.074 nan 8.360 nan 0.000 0.449 163 V N 1.477 121.391 119.914 -0.000 0.000 2.255 163 V HA -0.276 3.845 4.120 0.001 0.000 0.247 163 V C 2.371 178.497 176.094 0.053 0.000 1.051 163 V CA 1.759 64.086 62.300 0.046 0.000 1.018 163 V CB -0.710 31.171 31.823 0.097 0.000 0.641 163 V HN 0.389 nan 8.190 nan 0.000 0.445 164 L N 0.333 121.589 121.223 0.054 0.000 1.990 164 L HA -0.240 4.101 4.340 0.001 0.000 0.213 164 L C 2.505 179.397 176.870 0.036 0.000 1.072 164 L CA 2.395 57.270 54.840 0.058 0.000 0.755 164 L CB -0.889 41.202 42.059 0.053 0.000 0.889 164 L HN 0.486 nan 8.230 nan 0.000 0.432 165 E N -0.673 119.539 120.200 0.021 0.000 2.112 165 E HA -0.172 4.179 4.350 0.001 0.000 0.190 165 E C 2.128 178.732 176.600 0.007 0.000 0.979 165 E CA 0.716 57.123 56.400 0.011 0.000 0.814 165 E CB 0.116 29.818 29.700 0.003 0.000 0.762 165 E HN 0.518 nan 8.360 nan 0.000 0.460 166 K N 0.440 120.843 120.400 0.005 0.000 2.103 166 K HA -0.065 4.255 4.320 0.001 0.000 0.204 166 K C 1.978 178.578 176.600 0.000 0.000 1.052 166 K CA 1.462 57.748 56.287 -0.002 0.000 0.945 166 K CB 0.428 32.922 32.500 -0.011 0.000 0.722 166 K HN 0.130 nan 8.250 nan 0.000 0.443 167 V N -3.196 116.724 119.914 0.009 0.000 3.411 167 V HA 0.181 4.301 4.120 0.001 0.000 0.287 167 V C 1.101 177.195 176.094 0.001 0.000 1.543 167 V CA -0.087 62.215 62.300 0.003 0.000 1.028 167 V CB -0.015 31.812 31.823 0.007 0.000 0.840 167 V HN 0.044 nan 8.190 nan 0.000 0.435 168 L N -0.016 121.216 121.223 0.014 0.000 2.467 168 L HA 0.435 4.776 4.340 0.001 0.000 0.213 168 L C 0.885 177.773 176.870 0.031 0.000 1.053 168 L CA 0.170 55.021 54.840 0.018 0.000 0.847 168 L CB 0.318 42.399 42.059 0.038 0.000 1.075 168 L HN 0.184 nan 8.230 nan 0.000 0.479 169 L N 1.458 122.698 121.223 0.029 0.000 2.426 169 L HA 0.125 4.465 4.340 0.001 0.000 0.271 169 L C 0.744 177.631 176.870 0.027 0.000 1.169 169 L CA -0.025 54.833 54.840 0.030 0.000 0.836 169 L CB 0.525 42.596 42.059 0.020 0.000 1.112 169 L HN 0.200 nan 8.230 nan 0.000 0.465 170 R N 2.713 123.236 120.500 0.038 0.000 2.489 170 R HA 0.055 4.396 4.340 0.001 0.000 0.287 170 R C 0.730 177.050 176.300 0.034 0.000 1.053 170 R CA -0.200 55.927 56.100 0.045 0.000 1.036 170 R CB 0.650 30.998 30.300 0.080 0.000 0.966 170 R HN 0.616 nan 8.270 nan 0.000 0.432 171 R N 2.916 123.433 120.500 0.028 0.000 2.038 171 R HA 0.062 4.403 4.340 0.001 0.000 0.214 171 R C 0.250 176.574 176.300 0.039 0.000 1.249 171 R CA 0.612 56.726 56.100 0.024 0.000 1.025 171 R CB -0.379 29.929 30.300 0.012 0.000 0.911 171 R HN 0.654 nan 8.270 nan 0.000 0.456 172 E N 0.510 120.735 120.200 0.041 0.000 2.222 172 E HA 0.201 4.552 4.350 0.001 0.000 0.267 172 E C -1.344 175.315 176.600 0.097 0.000 0.884 172 E CA -0.753 55.688 56.400 0.067 0.000 0.764 172 E CB 1.347 31.071 29.700 0.040 0.000 1.169 172 E HN 0.045 nan 8.360 nan 0.000 0.413 173 F N 4.988 124.929 119.950 -0.015 0.000 2.612 173 F HA 0.116 4.644 4.527 0.001 0.000 0.389 173 F C -0.439 175.346 175.800 -0.026 0.000 1.055 173 F CA 0.178 58.166 58.000 -0.020 0.000 1.232 173 F CB 0.338 39.322 39.000 -0.026 0.000 1.044 173 F HN 0.412 nan 8.300 nan 0.000 0.560 174 I N 9.444 129.659 120.570 -0.592 0.000 2.306 174 I HA 0.230 4.401 4.170 0.001 0.000 0.288 174 I C -2.006 173.534 176.117 -0.962 0.000 1.036 174 I CA -2.164 58.789 61.300 -0.578 0.000 1.221 174 I CB 0.803 38.620 38.000 -0.304 0.000 1.385 174 I HN 0.415 nan 8.210 nan 0.000 0.472 175 P HA 0.010 nan 4.420 nan 0.000 0.272 175 P C -0.672 176.403 177.300 -0.376 0.000 1.223 175 P CA -0.242 62.450 63.100 -0.680 0.000 0.784 175 P CB 0.825 32.356 31.700 -0.282 0.000 0.923 176 D N 3.319 123.560 120.400 -0.264 0.000 2.401 176 D HA 0.024 4.665 4.640 0.001 0.000 0.254 176 D C -1.107 175.079 176.300 -0.190 0.000 1.192 176 D CA -1.931 51.929 54.000 -0.233 0.000 0.885 176 D CB 0.367 41.035 40.800 -0.219 0.000 1.147 176 D HN 0.189 nan 8.370 nan 0.000 0.478 177 P HA -0.145 nan 4.420 nan 0.000 0.223 177 P C 0.790 178.001 177.300 -0.149 0.000 1.151 177 P CA 0.957 63.965 63.100 -0.153 0.000 0.787 177 P CB 0.294 31.905 31.700 -0.148 0.000 0.788 178 Q N -0.795 118.885 119.800 -0.201 0.000 2.472 178 Q HA 0.125 4.465 4.340 0.001 0.000 0.208 178 Q C 1.227 177.185 176.000 -0.070 0.000 0.958 178 Q CA 0.624 56.312 55.803 -0.192 0.000 0.932 178 Q CB -0.446 28.072 28.738 -0.367 0.000 1.007 178 Q HN 0.281 nan 8.270 nan 0.000 0.508 179 G N 1.103 109.858 108.800 -0.075 0.000 2.160 179 G HA2 -0.274 3.686 3.960 0.001 0.000 0.251 179 G HA3 -0.274 3.686 3.960 0.001 0.000 0.251 179 G C -0.040 174.845 174.900 -0.024 0.000 1.008 179 G CA 0.247 45.330 45.100 -0.028 0.000 0.724 179 G HN 0.290 nan 8.290 nan 0.000 0.514 180 S N 0.891 116.559 115.700 -0.054 0.000 2.558 180 S HA 0.321 4.792 4.470 0.001 0.000 0.293 180 S C 0.924 175.512 174.600 -0.019 0.000 1.292 180 S CA 0.609 58.733 58.200 -0.126 0.000 1.063 180 S CB 0.545 63.578 63.200 -0.279 0.000 0.831 180 S HN 0.991 nan 8.310 nan 0.000 0.499 181 N N 1.983 120.709 118.700 0.043 0.000 2.643 181 N HA 0.356 5.097 4.740 0.001 0.000 0.305 181 N C 0.551 176.175 175.510 0.191 0.000 1.283 181 N CA -0.853 52.274 53.050 0.127 0.000 0.946 181 N CB 0.000 38.569 38.487 0.137 0.000 1.149 181 N HN 0.273 nan 8.380 nan 0.000 0.600 182 M N -0.491 119.214 119.600 0.175 0.000 2.419 182 M HA 0.143 4.624 4.480 0.001 0.000 0.264 182 M C 1.371 177.813 176.300 0.238 0.000 1.082 182 M CA 0.762 56.105 55.300 0.073 0.000 1.119 182 M CB -0.985 31.575 32.600 -0.068 0.000 1.398 182 M HN 0.506 nan 8.290 nan 0.000 0.453 183 M N -0.960 118.877 119.600 0.394 0.000 2.159 183 M HA -0.178 4.303 4.480 0.001 0.000 0.263 183 M C 2.230 178.932 176.300 0.671 0.000 1.063 183 M CA 1.516 57.157 55.300 0.569 0.000 1.110 183 M CB -1.400 31.487 32.600 0.477 0.000 1.374 183 M HN 0.225 nan 8.290 nan 0.000 0.411 184 F N 0.982 121.145 119.950 0.356 0.000 2.128 184 F HA -0.038 4.489 4.527 0.001 0.000 0.295 184 F C 2.317 178.205 175.800 0.147 0.000 1.100 184 F CA 1.522 59.561 58.000 0.064 0.000 1.260 184 F CB -0.317 38.604 39.000 -0.132 0.000 1.009 184 F HN 0.098 nan 8.300 nan 0.000 0.476 185 A N 0.279 123.204 122.820 0.175 0.000 1.883 185 A HA -0.183 4.137 4.320 0.001 0.000 0.217 185 A C 2.021 179.508 177.584 -0.161 0.000 1.186 185 A CA 1.881 53.895 52.037 -0.038 0.000 0.624 185 A CB -1.542 17.350 19.000 -0.181 0.000 0.822 185 A HN 0.434 nan 8.150 nan 0.000 0.444 186 F N -1.725 118.293 119.950 0.112 0.000 2.325 186 F HA 0.007 4.535 4.527 0.001 0.000 0.299 186 F C 1.913 177.743 175.800 0.051 0.000 1.090 186 F CA 0.628 58.696 58.000 0.113 0.000 1.392 186 F CB -0.729 38.380 39.000 0.181 0.000 1.053 186 F HN 0.331 nan 8.300 nan 0.000 0.521 187 F N 0.629 120.586 119.950 0.011 0.000 2.102 187 F HA -0.146 4.382 4.527 0.001 0.000 0.298 187 F C 2.392 178.049 175.800 -0.238 0.000 1.105 187 F CA 1.358 59.130 58.000 -0.379 0.000 1.239 187 F CB -0.518 38.303 39.000 -0.297 0.000 0.991 187 F HN -0.077 nan 8.300 nan 0.000 0.474 188 A N -0.261 122.566 122.820 0.011 0.000 1.908 188 A HA -0.290 4.031 4.320 0.001 0.000 0.218 188 A C 2.205 179.710 177.584 -0.132 0.000 1.181 188 A CA 1.934 54.015 52.037 0.073 0.000 0.627 188 A CB -1.086 18.025 19.000 0.185 0.000 0.818 188 A HN 0.592 nan 8.150 nan 0.000 0.445 189 Q N -1.444 118.264 119.800 -0.153 0.000 2.050 189 Q HA -0.248 4.092 4.340 0.001 0.000 0.202 189 Q C 2.189 177.920 176.000 -0.449 0.000 0.980 189 Q CA 1.692 57.306 55.803 -0.315 0.000 0.840 189 Q CB -0.328 28.270 28.738 -0.234 0.000 0.898 189 Q HN 0.872 nan 8.270 nan 0.000 0.424 190 H N -0.523 118.275 119.070 -0.453 0.000 2.326 190 H HA -0.157 4.399 4.556 0.001 0.000 0.301 190 H C 1.957 177.076 175.328 -0.349 0.000 1.081 190 H CA 1.729 57.487 56.048 -0.484 0.000 1.334 190 H CB -0.271 29.209 29.762 -0.470 0.000 1.385 190 H HN 0.352 nan 8.280 nan 0.000 0.504 191 F N 2.000 121.571 119.950 -0.631 0.000 2.102 191 F HA -0.199 4.328 4.527 0.001 0.000 0.298 191 F C 2.745 177.935 175.800 -1.017 0.000 1.105 191 F CA 2.411 59.941 58.000 -0.785 0.000 1.239 191 F CB -0.894 37.590 39.000 -0.860 0.000 0.991 191 F HN 0.234 nan 8.300 nan 0.000 0.474 192 T N -2.819 110.987 114.554 -1.246 0.000 2.904 192 T HA -0.173 4.178 4.350 0.001 0.000 0.267 192 T C 1.562 175.371 174.700 -1.486 0.000 1.059 192 T CA 1.565 62.541 62.100 -1.872 0.000 1.137 192 T CB -0.922 67.192 68.868 -1.257 0.000 0.879 192 T HN 0.374 nan 8.240 nan 0.000 0.467 193 H N 1.861 120.392 119.070 -0.898 0.000 2.563 193 H HA 0.110 4.667 4.556 0.001 0.000 0.272 193 H C 2.429 177.402 175.328 -0.592 0.000 1.005 193 H CA 0.968 56.713 56.048 -0.505 0.000 1.171 193 H CB -0.304 29.422 29.762 -0.060 0.000 1.351 193 H HN 0.766 nan 8.280 nan 0.000 0.602 194 Q N 0.051 119.317 119.800 -0.889 0.000 2.187 194 Q HA -0.088 4.252 4.340 0.001 0.000 0.199 194 Q C 1.051 176.687 176.000 -0.608 0.000 0.957 194 Q CA 1.247 56.568 55.803 -0.803 0.000 0.857 194 Q CB -0.249 27.797 28.738 -1.152 0.000 0.929 194 Q HN 0.605 nan 8.270 nan 0.000 0.453 195 F N -2.424 117.111 119.950 -0.691 0.000 2.720 195 F HA 0.464 4.992 4.527 0.001 0.000 0.301 195 F C -0.182 175.326 175.800 -0.486 0.000 1.103 195 F CA -1.134 56.502 58.000 -0.606 0.000 1.291 195 F CB 0.425 39.051 39.000 -0.623 0.000 1.086 195 F HN -0.222 nan 8.300 nan 0.000 0.592 196 F N 3.507 123.250 119.950 -0.344 0.000 2.313 196 F HA 0.500 5.027 4.527 0.001 0.000 0.369 196 F C -0.077 175.516 175.800 -0.345 0.000 1.109 196 F CA -1.673 56.158 58.000 -0.283 0.000 1.132 196 F CB 0.826 39.533 39.000 -0.489 0.000 1.291 196 F HN -0.039 nan 8.300 nan 0.000 0.496 197 K N 2.109 122.511 120.400 0.004 0.000 3.050 197 K HA 0.186 4.506 4.320 0.001 0.000 0.185 197 K C -0.572 175.959 176.600 -0.114 0.000 1.147 197 K CA -0.301 55.916 56.287 -0.115 0.000 0.916 197 K CB 1.210 33.607 32.500 -0.172 0.000 1.119 197 K HN 0.353 nan 8.250 nan 0.000 0.605 198 T N 1.385 115.879 114.554 -0.101 0.000 2.853 198 T HA -0.027 4.323 4.350 0.001 0.000 0.298 198 T C 0.065 174.512 174.700 -0.422 0.000 0.978 198 T CA 0.249 62.240 62.100 -0.182 0.000 1.152 198 T CB 0.414 69.167 68.868 -0.192 0.000 0.914 198 T HN 0.221 nan 8.240 nan 0.000 0.539 199 D N 1.907 122.142 120.400 -0.275 0.000 2.402 199 D HA 0.023 4.664 4.640 0.001 0.000 0.235 199 D C 1.155 177.325 176.300 -0.216 0.000 1.226 199 D CA -0.212 53.651 54.000 -0.228 0.000 0.918 199 D CB 0.264 40.963 40.800 -0.168 0.000 1.043 199 D HN 0.553 nan 8.370 nan 0.000 0.506 200 H N 2.745 121.802 119.070 -0.022 0.000 2.524 200 H HA -0.014 4.543 4.556 0.001 0.000 0.282 200 H C 1.407 176.709 175.328 -0.044 0.000 1.016 200 H CA 0.612 56.651 56.048 -0.015 0.000 1.270 200 H CB 0.615 30.371 29.762 -0.010 0.000 1.394 200 H HN 0.450 nan 8.280 nan 0.000 0.568 201 K N 0.773 121.178 120.400 0.008 0.000 2.097 201 K HA -0.078 4.242 4.320 0.001 0.000 0.206 201 K C 2.152 178.674 176.600 -0.131 0.000 1.049 201 K CA 0.872 57.127 56.287 -0.054 0.000 0.933 201 K CB 0.192 32.644 32.500 -0.079 0.000 0.717 201 K HN 0.256 nan 8.250 nan 0.000 0.442 202 R N -0.197 120.168 120.500 -0.225 0.000 2.087 202 R HA 0.098 4.439 4.340 0.001 0.000 0.216 202 R C 0.779 176.935 176.300 -0.240 0.000 1.114 202 R CA 0.695 56.512 56.100 -0.472 0.000 1.002 202 R CB 0.574 30.257 30.300 -1.029 0.000 0.903 202 R HN 0.250 nan 8.270 nan 0.000 0.445 203 G N -0.720 108.092 108.800 0.021 0.000 2.353 203 G HA2 -0.054 3.906 3.960 0.001 0.000 0.308 203 G HA3 -0.054 3.906 3.960 0.001 0.000 0.308 203 G C -2.587 172.470 174.900 0.261 0.000 1.418 203 G CA -0.914 44.315 45.100 0.216 0.000 0.966 203 G HN -0.191 nan 8.290 nan 0.000 0.638 204 P HA 0.034 nan 4.420 nan 0.000 0.220 204 P C 1.565 178.956 177.300 0.152 0.000 1.148 204 P CA 1.647 64.819 63.100 0.119 0.000 0.803 204 P CB 0.078 31.809 31.700 0.052 0.000 0.782 205 G N -1.684 107.170 108.800 0.090 0.000 3.262 205 G HA2 0.185 4.146 3.960 0.001 0.000 0.228 205 G HA3 0.185 4.146 3.960 0.001 0.000 0.228 205 G C -0.184 174.533 174.900 -0.304 0.000 1.197 205 G CA -0.119 44.962 45.100 -0.033 0.000 0.819 205 G HN 0.146 nan 8.290 nan 0.000 0.531 206 F N -1.000 118.929 119.950 -0.035 0.000 2.546 206 F HA 0.638 5.165 4.527 0.001 0.000 0.320 206 F C 0.248 175.744 175.800 -0.507 0.000 1.076 206 F CA -0.850 56.968 58.000 -0.303 0.000 0.928 206 F CB 2.617 41.432 39.000 -0.308 0.000 1.189 206 F HN -0.159 nan 8.300 nan 0.000 0.465 207 T N 0.662 114.930 114.554 -0.478 0.000 2.893 207 T HA 0.447 4.798 4.350 0.001 0.000 0.291 207 T C 0.371 174.872 174.700 -0.333 0.000 1.028 207 T CA -0.612 61.117 62.100 -0.618 0.000 0.995 207 T CB 1.202 69.447 68.868 -1.038 0.000 1.051 207 T HN 0.715 nan 8.240 nan 0.000 0.470 208 R N 1.834 122.170 120.500 -0.273 0.000 2.362 208 R HA 0.277 4.617 4.340 0.001 0.000 0.227 208 R C 1.179 177.351 176.300 -0.212 0.000 0.905 208 R CA -0.147 55.830 56.100 -0.205 0.000 1.067 208 R CB 0.581 30.782 30.300 -0.165 0.000 1.078 208 R HN 0.548 nan 8.270 nan 0.000 0.516 209 G N 1.046 109.677 108.800 -0.282 0.000 3.286 209 G HA2 0.206 4.167 3.960 0.001 0.000 0.303 209 G HA3 0.206 4.167 3.960 0.001 0.000 0.303 209 G C 0.648 175.332 174.900 -0.359 0.000 0.974 209 G CA -0.437 44.497 45.100 -0.276 0.000 1.635 209 G HN 0.135 nan 8.290 nan 0.000 0.535 210 L N 1.434 122.532 121.223 -0.207 0.000 2.465 210 L HA 0.033 4.374 4.340 0.001 0.000 0.224 210 L C 2.712 179.597 176.870 0.023 0.000 1.145 210 L CA 0.847 55.636 54.840 -0.086 0.000 0.834 210 L CB 0.020 42.055 42.059 -0.039 0.000 0.944 210 L HN 0.520 nan 8.230 nan 0.000 0.451 211 G N -2.047 106.732 108.800 -0.034 0.000 2.448 211 G HA2 -0.190 3.771 3.960 0.001 0.000 0.218 211 G HA3 -0.190 3.771 3.960 0.001 0.000 0.218 211 G C 0.631 175.580 174.900 0.081 0.000 1.135 211 G CA 0.017 45.130 45.100 0.021 0.000 0.784 211 G HN 0.572 nan 8.290 nan 0.000 0.543 212 H N -0.379 118.663 119.070 -0.047 0.000 2.770 212 H HA -0.152 4.405 4.556 0.001 0.000 0.309 212 H C 1.087 176.362 175.328 -0.088 0.000 1.206 212 H CA 1.088 57.105 56.048 -0.052 0.000 1.147 212 H CB -1.381 28.347 29.762 -0.056 0.000 1.422 212 H HN 0.825 nan 8.280 nan 0.000 0.420 213 G N -1.687 107.101 108.800 -0.021 0.000 2.356 213 G HA2 0.253 4.214 3.960 0.001 0.000 0.281 213 G HA3 0.253 4.214 3.960 0.001 0.000 0.281 213 G C -0.853 174.073 174.900 0.043 0.000 1.246 213 G CA -0.241 44.812 45.100 -0.078 0.000 0.889 213 G HN 0.159 nan 8.290 nan 0.000 0.486 214 V N 2.419 122.371 119.914 0.064 0.000 2.222 214 V HA 0.272 4.393 4.120 0.001 0.000 0.253 214 V C 0.402 176.547 176.094 0.086 0.000 1.210 214 V CA 0.685 63.049 62.300 0.106 0.000 1.079 214 V CB 0.275 32.216 31.823 0.196 0.000 1.265 214 V HN 0.762 nan 8.190 nan 0.000 0.494 215 D N 2.927 123.359 120.400 0.054 0.000 2.398 215 D HA 0.039 4.680 4.640 0.001 0.000 0.210 215 D C 0.983 177.371 176.300 0.147 0.000 1.094 215 D CA -0.331 53.720 54.000 0.085 0.000 0.839 215 D CB 0.059 40.894 40.800 0.058 0.000 0.963 215 D HN 0.356 nan 8.370 nan 0.000 0.506 216 L N 0.719 122.024 121.223 0.137 0.000 3.843 216 L HA -0.355 3.985 4.340 0.001 0.000 0.411 216 L C 0.974 178.030 176.870 0.311 0.000 1.205 216 L CA 0.646 55.651 54.840 0.275 0.000 0.945 216 L CB -2.520 39.697 42.059 0.263 0.000 1.929 216 L HN 0.286 nan 8.230 nan 0.000 0.934 217 N N 0.203 119.007 118.700 0.173 0.000 2.348 217 N HA -0.225 4.516 4.740 0.001 0.000 0.185 217 N C 1.770 177.296 175.510 0.028 0.000 1.019 217 N CA 1.803 54.910 53.050 0.095 0.000 0.880 217 N CB -0.244 38.238 38.487 -0.009 0.000 0.965 217 N HN 0.737 nan 8.380 nan 0.000 0.437 218 H N -0.646 118.269 119.070 -0.259 0.000 2.546 218 H HA 0.095 4.651 4.556 0.001 0.000 0.277 218 H C 1.479 176.637 175.328 -0.285 0.000 1.004 218 H CA 0.821 56.630 56.048 -0.399 0.000 1.231 218 H CB -0.370 29.116 29.762 -0.460 0.000 1.382 218 H HN 0.440 nan 8.280 nan 0.000 0.580 219 I N -0.853 119.446 120.570 -0.452 0.000 2.947 219 I HA -0.067 4.103 4.170 0.001 0.000 0.263 219 I C 1.382 177.237 176.117 -0.437 0.000 1.130 219 I CA 0.221 61.201 61.300 -0.534 0.000 1.448 219 I CB 0.000 37.490 38.000 -0.850 0.000 1.222 219 I HN -0.020 nan 8.210 nan 0.000 0.453 220 Y N 1.380 121.663 120.300 -0.028 0.000 2.510 220 Y HA 0.422 4.973 4.550 0.001 0.000 0.273 220 Y C 1.243 177.159 175.900 0.027 0.000 1.119 220 Y CA 0.192 58.319 58.100 0.044 0.000 1.286 220 Y CB -0.247 38.289 38.460 0.127 0.000 1.061 220 Y HN 0.153 nan 8.280 nan 0.000 0.542 221 G N 0.435 109.289 108.800 0.091 0.000 2.675 221 G HA2 -0.183 3.777 3.960 0.001 0.000 0.686 221 G HA3 -0.183 3.777 3.960 0.001 0.000 0.686 221 G C 0.265 175.182 174.900 0.029 0.000 1.215 221 G CA -0.367 44.748 45.100 0.025 0.000 0.777 221 G HN 0.044 nan 8.290 nan 0.000 0.638 222 E N -0.443 119.741 120.200 -0.026 0.000 2.047 222 E HA -0.021 4.330 4.350 0.001 0.000 0.191 222 E C 1.993 178.582 176.600 -0.019 0.000 0.987 222 E CA 1.970 58.351 56.400 -0.032 0.000 0.799 222 E CB -0.151 29.508 29.700 -0.067 0.000 0.752 222 E HN 1.022 nan 8.360 nan 0.000 0.449 223 T N -1.818 112.720 114.554 -0.028 0.000 2.952 223 T HA 0.279 4.629 4.350 0.001 0.000 0.286 223 T C 1.077 175.744 174.700 -0.055 0.000 1.024 223 T CA -0.757 61.319 62.100 -0.041 0.000 1.029 223 T CB 1.618 70.456 68.868 -0.051 0.000 1.094 223 T HN -0.082 nan 8.240 nan 0.000 0.515 224 L N 0.678 121.838 121.223 -0.105 0.000 2.093 224 L HA 0.022 4.363 4.340 0.001 0.000 0.208 224 L C 2.202 178.878 176.870 -0.323 0.000 1.085 224 L CA 1.802 56.504 54.840 -0.230 0.000 0.755 224 L CB -1.003 40.885 42.059 -0.285 0.000 0.904 224 L HN 0.879 nan 8.230 nan 0.000 0.435 225 D N -0.645 119.640 120.400 -0.192 0.000 2.092 225 D HA -0.273 4.367 4.640 0.001 0.000 0.193 225 D C 2.233 178.520 176.300 -0.023 0.000 0.994 225 D CA 1.479 55.418 54.000 -0.103 0.000 0.828 225 D CB 0.123 40.889 40.800 -0.057 0.000 0.963 225 D HN 0.322 nan 8.370 nan 0.000 0.450 226 R N 0.692 121.178 120.500 -0.023 0.000 2.075 226 R HA -0.130 4.211 4.340 0.001 0.000 0.232 226 R C 2.407 178.728 176.300 0.036 0.000 1.126 226 R CA 1.264 57.368 56.100 0.007 0.000 0.963 226 R CB -0.163 30.131 30.300 -0.009 0.000 0.858 226 R HN 0.204 nan 8.270 nan 0.000 0.435 227 Q N -0.211 119.610 119.800 0.035 0.000 2.061 227 Q HA -0.232 4.109 4.340 0.001 0.000 0.204 227 Q C 1.703 177.754 176.000 0.084 0.000 0.984 227 Q CA 1.882 57.729 55.803 0.072 0.000 0.846 227 Q CB -0.170 28.619 28.738 0.084 0.000 0.902 227 Q HN 0.663 nan 8.270 nan 0.000 0.421 228 H N -0.415 118.642 119.070 -0.022 0.000 2.421 228 H HA -0.071 4.486 4.556 0.001 0.000 0.298 228 H C 1.976 177.370 175.328 0.110 0.000 1.087 228 H CA 1.051 57.148 56.048 0.081 0.000 1.330 228 H CB 0.287 30.188 29.762 0.232 0.000 1.388 228 H HN 0.218 nan 8.280 nan 0.000 0.526 229 K N 0.560 121.073 120.400 0.187 0.000 2.217 229 K HA -0.044 4.277 4.320 0.001 0.000 0.202 229 K C 1.774 178.413 176.600 0.066 0.000 1.051 229 K CA 0.553 56.912 56.287 0.121 0.000 0.952 229 K CB 0.210 32.759 32.500 0.081 0.000 0.736 229 K HN 0.245 nan 8.250 nan 0.000 0.453 230 L N 0.270 121.514 121.223 0.035 0.000 2.554 230 L HA 0.029 4.370 4.340 0.001 0.000 0.226 230 L C 0.719 177.571 176.870 -0.030 0.000 1.137 230 L CA 0.170 55.023 54.840 0.022 0.000 0.863 230 L CB 0.071 42.154 42.059 0.041 0.000 0.985 230 L HN 0.022 nan 8.230 nan 0.000 0.451 231 R N -0.225 120.171 120.500 -0.173 0.000 2.540 231 R HA 0.190 4.530 4.340 0.001 0.000 0.287 231 R C 0.572 176.664 176.300 -0.347 0.000 0.980 231 R CA -0.490 55.370 56.100 -0.399 0.000 0.966 231 R CB 1.776 31.483 30.300 -0.988 0.000 1.106 231 R HN -0.102 nan 8.270 nan 0.000 0.480 232 L N 2.824 123.929 121.223 -0.196 0.000 2.446 232 L HA 0.173 4.514 4.340 0.001 0.000 0.219 232 L C 0.046 176.959 176.870 0.071 0.000 1.116 232 L CA 0.984 55.814 54.840 -0.016 0.000 0.844 232 L CB -0.129 41.970 42.059 0.067 0.000 0.970 232 L HN 0.812 nan 8.230 nan 0.000 0.457 233 F N -0.363 119.588 119.950 0.001 0.000 3.100 233 F HA -0.334 4.194 4.527 0.001 0.000 0.284 233 F C 0.456 176.270 175.800 0.023 0.000 0.875 233 F CA 0.959 58.945 58.000 -0.023 0.000 1.039 233 F CB -1.754 37.202 39.000 -0.074 0.000 1.111 233 F HN 0.155 nan 8.300 nan 0.000 0.575 234 K N 0.300 120.796 120.400 0.160 0.000 2.507 234 K HA 0.283 4.603 4.320 0.001 0.000 0.252 234 K C -0.031 176.659 176.600 0.150 0.000 0.943 234 K CA -0.888 55.486 56.287 0.145 0.000 0.808 234 K CB 1.596 34.170 32.500 0.123 0.000 1.142 234 K HN -0.007 nan 8.250 nan 0.000 0.426 235 D N 1.672 122.164 120.400 0.153 0.000 2.911 235 D HA -0.192 4.449 4.640 0.001 0.000 0.227 235 D C 0.756 177.170 176.300 0.191 0.000 1.164 235 D CA 1.853 55.950 54.000 0.162 0.000 0.782 235 D CB -1.057 39.826 40.800 0.139 0.000 1.094 235 D HN 1.114 nan 8.370 nan 0.000 0.425 236 G N -0.644 108.287 108.800 0.219 0.000 2.162 236 G HA2 -0.383 3.578 3.960 0.001 0.000 0.260 236 G HA3 -0.383 3.578 3.960 0.001 0.000 0.260 236 G C 0.398 175.568 174.900 0.450 0.000 0.976 236 G CA 0.940 46.233 45.100 0.321 0.000 0.655 236 G HN 0.498 nan 8.290 nan 0.000 0.533 237 K N -0.717 119.877 120.400 0.323 0.000 2.090 237 K HA 0.634 4.954 4.320 0.001 0.000 0.250 237 K C -0.011 176.798 176.600 0.349 0.000 1.004 237 K CA -0.832 55.690 56.287 0.391 0.000 0.919 237 K CB 0.849 33.526 32.500 0.295 0.000 1.045 237 K HN 0.021 nan 8.250 nan 0.000 0.471 238 L N 2.022 123.477 121.223 0.387 0.000 2.325 238 L HA 0.244 4.584 4.340 0.001 0.000 0.279 238 L C 0.213 177.235 176.870 0.254 0.000 1.054 238 L CA -0.098 54.881 54.840 0.233 0.000 0.804 238 L CB 0.937 43.112 42.059 0.193 0.000 1.200 238 L HN 0.427 nan 8.230 nan 0.000 0.436 239 K N 2.665 123.150 120.400 0.142 0.000 2.494 239 K HA 0.232 4.553 4.320 0.001 0.000 0.273 239 K C -1.046 175.689 176.600 0.225 0.000 0.970 239 K CA 0.633 56.983 56.287 0.104 0.000 0.963 239 K CB 0.291 32.812 32.500 0.036 0.000 0.913 239 K HN 0.580 nan 8.250 nan 0.000 0.502 240 Y N -2.245 118.106 120.300 0.086 0.000 2.670 240 Y HA 0.306 4.857 4.550 0.001 0.000 0.334 240 Y C -1.475 174.483 175.900 0.097 0.000 1.185 240 Y CA -1.389 56.773 58.100 0.103 0.000 1.053 240 Y CB 1.097 39.614 38.460 0.096 0.000 1.298 240 Y HN 0.603 nan 8.280 nan 0.000 0.459 241 Q N 0.742 120.711 119.800 0.283 0.000 2.423 241 Q HA 0.820 5.161 4.340 0.001 0.000 0.278 241 Q C -2.046 174.155 176.000 0.336 0.000 1.097 241 Q CA -1.317 54.595 55.803 0.182 0.000 0.809 241 Q CB 3.059 31.864 28.738 0.112 0.000 1.391 241 Q HN 0.606 nan 8.270 nan 0.000 0.428 242 V N 2.793 122.853 119.914 0.242 0.000 2.398 242 V HA 0.520 4.641 4.120 0.001 0.000 0.286 242 V C -0.501 175.710 176.094 0.194 0.000 1.026 242 V CA -0.489 61.957 62.300 0.244 0.000 0.868 242 V CB 1.161 33.101 31.823 0.195 0.000 0.982 242 V HN 0.669 nan 8.190 nan 0.000 0.443 243 I N 3.306 124.031 120.570 0.258 0.000 2.512 243 I HA 0.549 4.720 4.170 0.001 0.000 0.287 243 I C 0.920 177.151 176.117 0.189 0.000 1.069 243 I CA -0.613 60.791 61.300 0.174 0.000 1.056 243 I CB 1.900 39.957 38.000 0.095 0.000 1.229 243 I HN 0.788 nan 8.210 nan 0.000 0.429 244 G N 4.184 113.048 108.800 0.106 0.000 2.356 244 G HA2 -0.096 3.865 3.960 0.001 0.000 0.296 244 G HA3 -0.096 3.865 3.960 0.001 0.000 0.296 244 G C 1.035 175.989 174.900 0.091 0.000 1.022 244 G CA 0.779 45.931 45.100 0.087 0.000 0.961 244 G HN 1.645 nan 8.290 nan 0.000 0.510 245 G N -1.837 107.015 108.800 0.087 0.000 2.184 245 G HA2 -0.256 3.705 3.960 0.001 0.000 0.264 245 G HA3 -0.256 3.705 3.960 0.001 0.000 0.264 245 G C 0.124 175.052 174.900 0.047 0.000 0.975 245 G CA 1.010 46.147 45.100 0.062 0.000 0.642 245 G HN 0.941 nan 8.290 nan 0.000 0.536 246 E N -0.407 119.838 120.200 0.076 0.000 2.227 246 E HA 0.556 4.906 4.350 0.001 0.000 0.268 246 E C -0.125 176.431 176.600 -0.074 0.000 0.907 246 E CA -0.803 55.567 56.400 -0.050 0.000 0.786 246 E CB 2.430 32.062 29.700 -0.114 0.000 1.191 246 E HN 0.080 nan 8.360 nan 0.000 0.411 247 V N 3.457 123.233 119.914 -0.231 0.000 2.461 247 V HA 0.214 4.335 4.120 0.001 0.000 0.275 247 V C -0.741 175.166 176.094 -0.311 0.000 1.047 247 V CA 0.055 62.269 62.300 -0.143 0.000 0.955 247 V CB -0.240 31.439 31.823 -0.240 0.000 0.988 247 V HN 0.516 nan 8.190 nan 0.000 0.471 248 Y N 4.772 125.145 120.300 0.121 0.000 2.634 248 Y HA 0.526 5.076 4.550 0.001 0.000 0.340 248 Y C -2.248 173.783 175.900 0.217 0.000 1.058 248 Y CA -2.658 55.514 58.100 0.120 0.000 1.081 248 Y CB 1.909 40.487 38.460 0.197 0.000 1.295 248 Y HN 0.425 nan 8.280 nan 0.000 0.487 249 P HA 0.075 nan 4.420 nan 0.000 0.271 249 P C -2.543 174.995 177.300 0.397 0.000 1.233 249 P CA -0.875 62.444 63.100 0.366 0.000 0.789 249 P CB 0.029 31.922 31.700 0.322 0.000 0.951 250 P HA 0.103 nan 4.420 nan 0.000 0.279 250 P C -0.509 176.830 177.300 0.066 0.000 1.282 250 P CA -0.065 63.113 63.100 0.131 0.000 0.788 250 P CB 0.110 31.861 31.700 0.084 0.000 1.139 251 T N -3.522 111.007 114.554 -0.042 0.000 2.918 251 T HA 0.222 4.573 4.350 0.001 0.000 0.283 251 T C 1.451 176.122 174.700 -0.049 0.000 1.001 251 T CA -0.701 61.327 62.100 -0.121 0.000 1.041 251 T CB 0.189 68.944 68.868 -0.188 0.000 1.028 251 T HN 0.065 nan 8.240 nan 0.000 0.511 252 V N 1.305 121.185 119.914 -0.056 0.000 2.392 252 V HA -0.148 3.973 4.120 0.001 0.000 0.249 252 V C 2.801 178.875 176.094 -0.034 0.000 1.059 252 V CA 2.113 64.403 62.300 -0.016 0.000 1.051 252 V CB -0.813 31.003 31.823 -0.010 0.000 0.658 252 V HN 1.002 nan 8.190 nan 0.000 0.455 253 K N -0.220 120.139 120.400 -0.068 0.000 2.155 253 K HA -0.218 4.103 4.320 0.001 0.000 0.203 253 K C 1.904 178.479 176.600 -0.042 0.000 1.052 253 K CA 1.685 57.937 56.287 -0.059 0.000 0.948 253 K CB -0.142 32.310 32.500 -0.080 0.000 0.728 253 K HN 0.513 nan 8.250 nan 0.000 0.448 254 D N -0.319 120.056 120.400 -0.043 0.000 2.137 254 D HA -0.106 4.535 4.640 0.001 0.000 0.202 254 D C 1.729 178.026 176.300 -0.006 0.000 0.970 254 D CA 1.873 55.857 54.000 -0.027 0.000 0.837 254 D CB 0.038 40.819 40.800 -0.033 0.000 0.981 254 D HN 0.330 nan 8.370 nan 0.000 0.475 255 T N -4.081 110.476 114.554 0.004 0.000 3.037 255 T HA 0.109 4.459 4.350 0.001 0.000 0.252 255 T C 1.038 175.753 174.700 0.025 0.000 1.073 255 T CA 0.539 62.654 62.100 0.024 0.000 1.091 255 T CB 0.112 69.001 68.868 0.036 0.000 0.935 255 T HN 0.040 nan 8.240 nan 0.000 0.488 256 Q N 0.347 120.155 119.800 0.014 0.000 2.460 256 Q HA -0.143 4.197 4.340 0.001 0.000 0.248 256 Q C 0.007 176.018 176.000 0.019 0.000 0.847 256 Q CA 0.781 56.592 55.803 0.012 0.000 1.214 256 Q CB -2.516 26.230 28.738 0.013 0.000 1.523 256 Q HN 0.918 nan 8.270 nan 0.000 0.602 257 V N -1.806 118.124 119.914 0.027 0.000 2.607 257 V HA 0.496 4.617 4.120 0.001 0.000 0.289 257 V C 0.526 176.639 176.094 0.031 0.000 1.053 257 V CA -0.600 61.716 62.300 0.027 0.000 0.996 257 V CB 1.696 33.538 31.823 0.033 0.000 0.995 257 V HN 0.212 nan 8.190 nan 0.000 0.476 258 E N 5.020 125.230 120.200 0.017 0.000 2.316 258 E HA 0.410 4.761 4.350 0.001 0.000 0.275 258 E C -0.530 176.080 176.600 0.017 0.000 1.029 258 E CA -0.205 56.205 56.400 0.016 0.000 0.871 258 E CB 0.951 30.649 29.700 -0.004 0.000 1.022 258 E HN 0.608 nan 8.360 nan 0.000 0.418 259 M N 2.216 121.845 119.600 0.047 0.000 2.619 259 M HA 0.430 4.911 4.480 0.001 0.000 0.297 259 M C -0.466 175.808 176.300 -0.043 0.000 1.229 259 M CA -0.804 54.501 55.300 0.007 0.000 0.860 259 M CB 1.669 34.351 32.600 0.137 0.000 1.741 259 M HN 0.413 nan 8.290 nan 0.000 0.462 260 I N 1.894 122.347 120.570 -0.195 0.000 2.301 260 I HA 0.285 4.456 4.170 0.001 0.000 0.292 260 I C -1.368 174.508 176.117 -0.401 0.000 1.046 260 I CA -0.093 61.094 61.300 -0.189 0.000 1.282 260 I CB 0.232 38.154 38.000 -0.131 0.000 1.409 260 I HN 0.492 nan 8.210 nan 0.000 0.484 261 Y N 6.588 126.865 120.300 -0.039 0.000 2.470 261 Y HA 0.393 4.943 4.550 0.001 0.000 0.341 261 Y C -2.069 173.735 175.900 -0.160 0.000 1.021 261 Y CA -2.052 55.996 58.100 -0.086 0.000 1.025 261 Y CB 1.955 40.367 38.460 -0.080 0.000 1.266 261 Y HN 0.431 nan 8.280 nan 0.000 0.448 262 P HA 0.108 nan 4.420 nan 0.000 0.272 262 P C -2.205 175.005 177.300 -0.149 0.000 1.223 262 P CA -1.363 61.624 63.100 -0.188 0.000 0.784 262 P CB 0.691 32.183 31.700 -0.346 0.000 0.923 263 P HA -0.172 nan 4.420 nan 0.000 0.223 263 P C 1.080 178.372 177.300 -0.013 0.000 1.144 263 P CA 1.522 64.613 63.100 -0.015 0.000 0.783 263 P CB -0.338 31.376 31.700 0.023 0.000 0.771 264 H N -1.879 117.174 119.070 -0.029 0.000 2.592 264 H HA 0.133 4.689 4.556 0.001 0.000 0.265 264 H C 0.643 175.953 175.328 -0.030 0.000 0.955 264 H CA -0.426 55.608 56.048 -0.023 0.000 1.175 264 H CB -0.228 29.527 29.762 -0.010 0.000 1.433 264 H HN -0.021 nan 8.280 nan 0.000 0.537 265 I N 5.388 125.662 120.570 -0.494 0.000 2.587 265 I HA 0.065 4.235 4.170 0.001 0.000 0.284 265 I C -1.955 174.024 176.117 -0.231 0.000 1.134 265 I CA -2.271 58.820 61.300 -0.349 0.000 1.410 265 I CB 0.370 38.156 38.000 -0.357 0.000 1.392 265 I HN 0.108 nan 8.210 nan 0.000 0.545 266 P HA 0.136 nan 4.420 nan 0.000 0.272 266 P C 0.680 177.845 177.300 -0.224 0.000 1.223 266 P CA -0.284 62.724 63.100 -0.153 0.000 0.784 266 P CB 0.986 32.620 31.700 -0.109 0.000 0.923 267 E N 1.528 121.613 120.200 -0.192 0.000 2.086 267 E HA -0.253 4.098 4.350 0.001 0.000 0.200 267 E C 1.628 178.061 176.600 -0.280 0.000 1.012 267 E CA 1.571 57.841 56.400 -0.216 0.000 0.812 267 E CB -0.269 29.341 29.700 -0.151 0.000 0.743 267 E HN 0.610 nan 8.360 nan 0.000 0.453 268 N N 1.046 119.594 118.700 -0.253 0.000 2.519 268 N HA -0.167 4.574 4.740 0.001 0.000 0.186 268 N C 1.389 176.617 175.510 -0.471 0.000 1.062 268 N CA 0.835 53.703 53.050 -0.304 0.000 0.910 268 N CB -0.051 38.308 38.487 -0.214 0.000 0.958 268 N HN 0.244 nan 8.380 nan 0.000 0.445 269 L N -0.150 120.803 121.223 -0.450 0.000 2.728 269 L HA 0.223 4.564 4.340 0.001 0.000 0.238 269 L C 0.219 176.723 176.870 -0.609 0.000 1.143 269 L CA -0.120 54.413 54.840 -0.511 0.000 0.937 269 L CB 0.117 42.055 42.059 -0.202 0.000 1.225 269 L HN -0.053 nan 8.230 nan 0.000 0.507 270 Q N 1.059 120.439 119.800 -0.701 0.000 2.553 270 Q HA 0.264 4.605 4.340 0.001 0.000 0.221 270 Q C -0.861 174.901 176.000 -0.396 0.000 1.219 270 Q CA -0.286 55.005 55.803 -0.853 0.000 0.955 270 Q CB 0.301 28.614 28.738 -0.709 0.000 1.399 270 Q HN 0.123 nan 8.270 nan 0.000 0.551 271 F N 1.070 120.996 119.950 -0.041 0.000 2.418 271 F HA 0.343 4.871 4.527 0.001 0.000 0.341 271 F C 0.714 176.628 175.800 0.189 0.000 1.120 271 F CA -0.640 57.416 58.000 0.093 0.000 1.232 271 F CB 0.815 39.883 39.000 0.114 0.000 1.175 271 F HN 0.350 nan 8.300 nan 0.000 0.569 272 A N 3.212 126.205 122.820 0.289 0.000 2.287 272 A HA 0.763 5.084 4.320 0.001 0.000 0.317 272 A C -0.718 176.967 177.584 0.169 0.000 1.220 272 A CA -0.514 51.640 52.037 0.196 0.000 0.835 272 A CB 0.531 19.602 19.000 0.119 0.000 1.180 272 A HN 0.755 nan 8.150 nan 0.000 0.500 273 V N -0.004 119.982 119.914 0.120 0.000 3.167 273 V HA 0.878 4.999 4.120 0.001 0.000 0.310 273 V C 1.131 177.200 176.094 -0.042 0.000 1.207 273 V CA -0.051 62.286 62.300 0.062 0.000 1.059 273 V CB 1.008 32.906 31.823 0.125 0.000 1.079 273 V HN 1.011 nan 8.190 nan 0.000 0.446 274 G N -0.772 107.964 108.800 -0.106 0.000 2.446 274 G HA2 -0.112 3.849 3.960 0.001 0.000 0.217 274 G HA3 -0.112 3.849 3.960 0.001 0.000 0.217 274 G C 0.732 175.480 174.900 -0.252 0.000 1.168 274 G CA 0.762 45.772 45.100 -0.150 0.000 0.771 274 G HN 0.691 nan 8.290 nan 0.000 0.551 275 Q N 0.691 120.193 119.800 -0.497 0.000 2.294 275 Q HA 0.144 4.484 4.340 0.001 0.000 0.257 275 Q C 1.447 177.157 176.000 -0.484 0.000 0.955 275 Q CA -0.043 55.318 55.803 -0.737 0.000 0.936 275 Q CB 1.397 29.017 28.738 -1.863 0.000 1.188 275 Q HN 0.775 nan 8.270 nan 0.000 0.420 276 E N 1.418 121.444 120.200 -0.289 0.000 2.333 276 E HA -0.137 4.213 4.350 0.001 0.000 0.198 276 E C 1.202 177.711 176.600 -0.153 0.000 1.007 276 E CA 1.233 57.531 56.400 -0.170 0.000 0.845 276 E CB -0.093 29.537 29.700 -0.117 0.000 0.766 276 E HN 0.370 nan 8.360 nan 0.000 0.507 277 V N -2.738 117.106 119.914 -0.118 0.000 3.542 277 V HA 0.170 4.291 4.120 0.001 0.000 0.296 277 V C 0.978 177.182 176.094 0.185 0.000 1.364 277 V CA -0.218 62.090 62.300 0.014 0.000 1.118 277 V CB -0.687 31.196 31.823 0.100 0.000 0.972 277 V HN -0.004 nan 8.190 nan 0.000 0.430 278 F N 2.683 122.588 119.950 -0.075 0.000 2.661 278 F HA 0.384 4.912 4.527 0.001 0.000 0.298 278 F C 2.228 177.996 175.800 -0.053 0.000 1.137 278 F CA 0.435 58.410 58.000 -0.042 0.000 1.454 278 F CB -0.821 38.175 39.000 -0.006 0.000 1.103 278 F HN 0.402 nan 8.300 nan 0.000 0.577 279 G N -0.771 108.069 108.800 0.066 0.000 2.985 279 G HA2 0.050 4.010 3.960 0.001 0.000 0.209 279 G HA3 0.050 4.010 3.960 0.001 0.000 0.209 279 G C 1.466 176.402 174.900 0.061 0.000 1.165 279 G CA 0.032 45.183 45.100 0.084 0.000 0.776 279 G HN 0.319 nan 8.290 nan 0.000 0.541 280 L N 0.112 121.338 121.223 0.004 0.000 2.585 280 L HA 0.261 4.602 4.340 0.001 0.000 0.226 280 L C -0.238 176.583 176.870 -0.081 0.000 1.113 280 L CA 0.153 55.037 54.840 0.073 0.000 0.876 280 L CB 0.680 42.822 42.059 0.139 0.000 1.072 280 L HN -0.073 nan 8.230 nan 0.000 0.468 281 V N -0.480 119.349 119.914 -0.142 0.000 2.524 281 V HA 0.239 4.360 4.120 0.001 0.000 0.297 281 V C -1.899 173.950 176.094 -0.408 0.000 1.035 281 V CA -0.913 61.214 62.300 -0.289 0.000 0.867 281 V CB 1.977 33.736 31.823 -0.108 0.000 1.004 281 V HN -0.155 nan 8.190 nan 0.000 0.426 282 P HA -0.070 nan 4.420 nan 0.000 0.220 282 P C 1.635 178.733 177.300 -0.338 0.000 1.148 282 P CA 1.439 64.233 63.100 -0.509 0.000 0.803 282 P CB 0.324 31.653 31.700 -0.618 0.000 0.782 283 G N -0.553 107.896 108.800 -0.584 0.000 2.432 283 G HA2 -0.213 3.747 3.960 0.001 0.000 0.219 283 G HA3 -0.213 3.747 3.960 0.001 0.000 0.219 283 G C 1.331 175.955 174.900 -0.461 0.000 1.135 283 G CA 0.487 44.968 45.100 -1.032 0.000 0.767 283 G HN 0.158 nan 8.290 nan 0.000 0.550 284 L N -0.343 120.677 121.223 -0.338 0.000 2.044 284 L HA 0.200 4.540 4.340 0.001 0.000 0.205 284 L C 2.710 179.466 176.870 -0.189 0.000 1.075 284 L CA 1.313 55.999 54.840 -0.256 0.000 0.747 284 L CB -0.675 41.125 42.059 -0.432 0.000 0.903 284 L HN 0.182 nan 8.230 nan 0.000 0.435 285 M N -1.209 118.272 119.600 -0.198 0.000 2.202 285 M HA -0.241 4.239 4.480 0.001 0.000 0.262 285 M C 2.225 178.387 176.300 -0.230 0.000 1.063 285 M CA 1.607 56.797 55.300 -0.184 0.000 1.097 285 M CB -0.538 31.896 32.600 -0.276 0.000 1.382 285 M HN 0.295 nan 8.290 nan 0.000 0.413 286 M N -1.498 117.934 119.600 -0.280 0.000 2.080 286 M HA -0.286 4.195 4.480 0.001 0.000 0.260 286 M C 1.695 177.804 176.300 -0.317 0.000 1.068 286 M CA 1.976 57.085 55.300 -0.318 0.000 1.109 286 M CB -0.379 32.070 32.600 -0.251 0.000 1.342 286 M HN 0.279 nan 8.290 nan 0.000 0.405 287 Y N 0.073 120.225 120.300 -0.246 0.000 2.314 287 Y HA -0.020 4.531 4.550 0.001 0.000 0.293 287 Y C 2.598 178.331 175.900 -0.277 0.000 1.129 287 Y CA 1.334 59.214 58.100 -0.367 0.000 1.201 287 Y CB -0.876 37.171 38.460 -0.689 0.000 0.999 287 Y HN 0.384 nan 8.280 nan 0.000 0.541 288 A N -0.614 122.205 122.820 -0.001 0.000 1.933 288 A HA -0.193 4.128 4.320 0.001 0.000 0.218 288 A C 2.273 179.917 177.584 0.101 0.000 1.175 288 A CA 2.308 54.471 52.037 0.210 0.000 0.628 288 A CB -1.123 18.040 19.000 0.272 0.000 0.814 288 A HN 0.405 nan 8.150 nan 0.000 0.444 289 T N 0.213 114.755 114.554 -0.019 0.000 2.737 289 T HA -0.048 4.303 4.350 0.001 0.000 0.265 289 T C 1.821 176.464 174.700 -0.094 0.000 1.038 289 T CA 1.383 63.441 62.100 -0.071 0.000 1.144 289 T CB -0.380 68.385 68.868 -0.172 0.000 0.866 289 T HN 0.407 nan 8.240 nan 0.000 0.434 290 I N -0.669 119.812 120.570 -0.148 0.000 2.208 290 I HA -0.196 3.974 4.170 0.001 0.000 0.245 290 I C 2.228 178.244 176.117 -0.167 0.000 1.097 290 I CA 1.533 62.703 61.300 -0.217 0.000 1.363 290 I CB -0.252 37.553 38.000 -0.325 0.000 1.051 290 I HN 0.344 nan 8.210 nan 0.000 0.413 291 W N 0.379 121.666 121.300 -0.023 0.000 2.418 291 W HA -0.086 4.575 4.660 0.001 0.000 0.292 291 W C 2.451 178.972 176.519 0.003 0.000 1.213 291 W CA 0.409 57.756 57.345 0.004 0.000 1.283 291 W CB -0.260 29.188 29.460 -0.019 0.000 1.119 291 W HN 0.075 nan 8.180 nan 0.000 0.542 292 L N 0.812 122.155 121.223 0.200 0.000 2.042 292 L HA -0.238 4.103 4.340 0.001 0.000 0.210 292 L C 2.511 179.457 176.870 0.127 0.000 1.076 292 L CA 1.788 56.711 54.840 0.138 0.000 0.749 292 L CB -0.341 41.776 42.059 0.096 0.000 0.893 292 L HN -0.077 nan 8.230 nan 0.000 0.432 293 R N -0.391 120.127 120.500 0.030 0.000 2.091 293 R HA -0.236 4.105 4.340 0.001 0.000 0.238 293 R C 2.245 178.546 176.300 0.002 0.000 1.136 293 R CA 1.704 57.778 56.100 -0.043 0.000 0.959 293 R CB -0.300 29.925 30.300 -0.125 0.000 0.856 293 R HN 0.377 nan 8.270 nan 0.000 0.437 294 E N -0.247 119.977 120.200 0.040 0.000 2.106 294 E HA -0.220 4.130 4.350 0.001 0.000 0.192 294 E C 1.698 178.399 176.600 0.168 0.000 0.984 294 E CA 1.662 58.105 56.400 0.072 0.000 0.806 294 E CB -0.153 29.584 29.700 0.060 0.000 0.750 294 E HN 0.457 nan 8.360 nan 0.000 0.458 295 H N -0.073 119.099 119.070 0.170 0.000 2.321 295 H HA -0.040 4.517 4.556 0.001 0.000 0.300 295 H C 1.646 177.063 175.328 0.149 0.000 1.087 295 H CA 2.274 58.440 56.048 0.198 0.000 1.319 295 H CB -0.152 29.750 29.762 0.234 0.000 1.379 295 H HN 0.128 nan 8.280 nan 0.000 0.501 296 N N 0.343 119.119 118.700 0.128 0.000 2.166 296 N HA -0.145 4.596 4.740 0.001 0.000 0.186 296 N C 2.031 177.528 175.510 -0.021 0.000 1.019 296 N CA 1.079 54.156 53.050 0.044 0.000 0.856 296 N CB -0.405 38.110 38.487 0.046 0.000 0.993 296 N HN 0.412 nan 8.380 nan 0.000 0.426 297 R N 0.880 121.368 120.500 -0.020 0.000 2.091 297 R HA -0.068 4.272 4.340 0.001 0.000 0.238 297 R C 1.574 177.864 176.300 -0.017 0.000 1.136 297 R CA 1.201 57.286 56.100 -0.025 0.000 0.959 297 R CB -0.258 30.026 30.300 -0.027 0.000 0.856 297 R HN 0.016 nan 8.270 nan 0.000 0.437 298 V N 0.270 120.174 119.914 -0.017 0.000 2.626 298 V HA -0.260 3.860 4.120 0.001 0.000 0.252 298 V C 2.497 178.581 176.094 -0.016 0.000 1.067 298 V CA 1.438 63.736 62.300 -0.003 0.000 1.081 298 V CB -0.407 31.435 31.823 0.032 0.000 0.686 298 V HN 0.521 nan 8.190 nan 0.000 0.468 299 C N 0.119 119.376 119.300 -0.072 0.000 2.425 299 C HA -0.148 4.312 4.460 0.001 0.000 0.277 299 C C 2.485 177.494 174.990 0.031 0.000 1.280 299 C CA 0.878 59.888 59.018 -0.014 0.000 1.744 299 C CB -0.950 26.778 27.740 -0.020 0.000 1.989 299 C HN 0.595 nan 8.230 nan 0.000 0.491 300 D N 0.717 121.125 120.400 0.013 0.000 2.144 300 D HA -0.030 4.611 4.640 0.001 0.000 0.200 300 D C 1.925 178.225 176.300 0.001 0.000 0.978 300 D CA 1.041 55.050 54.000 0.015 0.000 0.833 300 D CB -0.325 40.478 40.800 0.004 0.000 0.961 300 D HN 0.462 nan 8.370 nan 0.000 0.470 301 I N 0.500 121.067 120.570 -0.005 0.000 2.252 301 I HA -0.203 3.968 4.170 0.001 0.000 0.245 301 I C 2.374 178.470 176.117 -0.037 0.000 1.102 301 I CA 0.613 61.901 61.300 -0.020 0.000 1.385 301 I CB -0.047 37.947 38.000 -0.009 0.000 1.064 301 I HN -0.046 nan 8.210 nan 0.000 0.414 302 L N 0.464 121.689 121.223 0.003 0.000 2.093 302 L HA -0.199 4.142 4.340 0.001 0.000 0.208 302 L C 2.588 179.435 176.870 -0.039 0.000 1.085 302 L CA 1.280 56.124 54.840 0.006 0.000 0.755 302 L CB -0.450 41.700 42.059 0.153 0.000 0.904 302 L HN 0.203 nan 8.230 nan 0.000 0.435 303 K N 0.010 120.422 120.400 0.020 0.000 2.097 303 K HA -0.254 4.066 4.320 0.001 0.000 0.205 303 K C 2.152 178.728 176.600 -0.039 0.000 1.050 303 K CA 1.347 57.650 56.287 0.028 0.000 0.938 303 K CB 0.091 32.628 32.500 0.062 0.000 0.718 303 K HN 0.142 nan 8.250 nan 0.000 0.442 304 Q N 0.702 120.465 119.800 -0.061 0.000 2.030 304 Q HA -0.186 4.155 4.340 0.001 0.000 0.204 304 Q C 1.681 177.582 176.000 -0.165 0.000 0.986 304 Q CA 1.897 57.648 55.803 -0.086 0.000 0.843 304 Q CB 0.092 28.786 28.738 -0.074 0.000 0.904 304 Q HN 0.227 nan 8.270 nan 0.000 0.420 305 E N -0.361 119.679 120.200 -0.268 0.000 2.204 305 E HA -0.105 4.245 4.350 0.001 0.000 0.194 305 E C 0.108 176.272 176.600 -0.727 0.000 0.989 305 E CA 0.937 57.034 56.400 -0.505 0.000 0.824 305 E CB 0.134 29.441 29.700 -0.655 0.000 0.756 305 E HN 0.432 nan 8.360 nan 0.000 0.477 306 H N -0.466 118.386 119.070 -0.363 0.000 2.429 306 H HA 0.160 4.716 4.556 0.001 0.000 0.231 306 H C -1.825 173.366 175.328 -0.228 0.000 1.416 306 H CA -1.698 54.041 56.048 -0.515 0.000 1.443 306 H CB 1.181 30.138 29.762 -1.341 0.000 1.591 306 H HN -0.003 nan 8.280 nan 0.000 0.507 307 P HA -0.111 nan 4.420 nan 0.000 0.226 307 P C 0.712 178.072 177.300 0.099 0.000 1.153 307 P CA 0.828 63.952 63.100 0.041 0.000 0.777 307 P CB 0.548 32.259 31.700 0.017 0.000 0.794 308 E N -1.432 118.841 120.200 0.122 0.000 2.208 308 E HA -0.106 4.245 4.350 0.001 0.000 0.193 308 E C 0.554 177.347 176.600 0.321 0.000 0.988 308 E CA 0.474 56.991 56.400 0.195 0.000 0.828 308 E CB -0.977 28.854 29.700 0.218 0.000 0.763 308 E HN 0.259 nan 8.360 nan 0.000 0.478 309 W N 1.717 123.052 121.300 0.058 0.000 2.170 309 W HA 0.512 5.172 4.660 0.001 0.000 0.336 309 W C 1.165 177.715 176.519 0.051 0.000 1.283 309 W CA -0.626 56.739 57.345 0.034 0.000 1.224 309 W CB 0.261 29.741 29.460 0.032 0.000 1.132 309 W HN -0.001 nan 8.180 nan 0.000 0.571 310 G N 0.967 109.887 108.800 0.200 0.000 2.522 310 G HA2 0.120 4.080 3.960 0.001 0.000 0.304 310 G HA3 0.120 4.080 3.960 0.001 0.000 0.304 310 G C 0.379 175.370 174.900 0.151 0.000 1.210 310 G CA -0.223 44.959 45.100 0.137 0.000 0.960 310 G HN 0.479 nan 8.290 nan 0.000 0.497 311 D N -0.786 119.700 120.400 0.145 0.000 2.116 311 D HA -0.184 4.457 4.640 0.001 0.000 0.193 311 D C 2.048 178.453 176.300 0.175 0.000 0.998 311 D CA 1.665 55.767 54.000 0.169 0.000 0.836 311 D CB 0.173 41.077 40.800 0.174 0.000 0.951 311 D HN 0.291 nan 8.370 nan 0.000 0.449 312 E N 0.212 120.488 120.200 0.126 0.000 2.033 312 E HA -0.245 4.106 4.350 0.001 0.000 0.199 312 E C 2.033 178.706 176.600 0.123 0.000 1.011 312 E CA 1.185 57.659 56.400 0.123 0.000 0.815 312 E CB -0.589 29.145 29.700 0.057 0.000 0.755 312 E HN 0.559 nan 8.360 nan 0.000 0.451 313 Q N -0.215 119.571 119.800 -0.022 0.000 2.167 313 Q HA -0.072 4.269 4.340 0.001 0.000 0.202 313 Q C 2.428 178.408 176.000 -0.033 0.000 0.970 313 Q CA 0.763 56.443 55.803 -0.204 0.000 0.855 313 Q CB -0.032 28.322 28.738 -0.640 0.000 0.911 313 Q HN 0.234 nan 8.270 nan 0.000 0.438 314 L N -0.225 121.105 121.223 0.179 0.000 2.046 314 L HA -0.155 4.185 4.340 0.001 0.000 0.208 314 L C 2.271 179.286 176.870 0.241 0.000 1.077 314 L CA 1.242 56.269 54.840 0.312 0.000 0.747 314 L CB -0.469 41.776 42.059 0.309 0.000 0.896 314 L HN 0.323 nan 8.230 nan 0.000 0.432 315 F N 0.340 120.369 119.950 0.133 0.000 2.102 315 F HA -0.243 4.285 4.527 0.001 0.000 0.298 315 F C 2.680 178.559 175.800 0.132 0.000 1.105 315 F CA 1.537 59.643 58.000 0.177 0.000 1.239 315 F CB -0.177 38.885 39.000 0.103 0.000 0.991 315 F HN 0.036 nan 8.300 nan 0.000 0.474 316 Q N 0.028 119.854 119.800 0.044 0.000 2.079 316 Q HA -0.123 4.218 4.340 0.001 0.000 0.200 316 Q C 2.249 178.195 176.000 -0.089 0.000 0.974 316 Q CA 2.187 57.932 55.803 -0.097 0.000 0.840 316 Q CB -1.144 27.620 28.738 0.044 0.000 0.898 316 Q HN 0.421 nan 8.270 nan 0.000 0.430 317 T N 1.032 115.595 114.554 0.015 0.000 2.746 317 T HA -0.081 4.269 4.350 0.001 0.000 0.267 317 T C 2.194 176.994 174.700 0.167 0.000 1.039 317 T CA 1.387 63.565 62.100 0.130 0.000 1.142 317 T CB -0.171 68.861 68.868 0.273 0.000 0.866 317 T HN 0.177 nan 8.240 nan 0.000 0.444 318 S N 0.861 116.619 115.700 0.097 0.000 2.370 318 S HA -0.132 4.339 4.470 0.001 0.000 0.226 318 S C 2.109 176.790 174.600 0.134 0.000 1.033 318 S CA 1.204 59.453 58.200 0.081 0.000 1.011 318 S CB -0.274 62.854 63.200 -0.121 0.000 0.852 318 S HN 0.462 nan 8.310 nan 0.000 0.457 319 R N 0.919 121.374 120.500 -0.076 0.000 2.091 319 R HA -0.039 4.302 4.340 0.001 0.000 0.238 319 R C 2.132 178.478 176.300 0.076 0.000 1.136 319 R CA 1.193 57.189 56.100 -0.174 0.000 0.959 319 R CB -0.374 29.420 30.300 -0.843 0.000 0.856 319 R HN 0.361 nan 8.270 nan 0.000 0.437 320 L N 0.302 121.609 121.223 0.140 0.000 2.046 320 L HA -0.179 4.162 4.340 0.001 0.000 0.208 320 L C 2.449 179.586 176.870 0.445 0.000 1.077 320 L CA 1.236 56.279 54.840 0.340 0.000 0.747 320 L CB -0.341 41.958 42.059 0.401 0.000 0.896 320 L HN 0.277 nan 8.230 nan 0.000 0.432 321 I N -0.612 120.189 120.570 0.385 0.000 2.252 321 I HA -0.290 3.880 4.170 0.001 0.000 0.245 321 I C 2.294 178.563 176.117 0.253 0.000 1.102 321 I CA 1.078 62.541 61.300 0.271 0.000 1.385 321 I CB -0.081 38.063 38.000 0.240 0.000 1.064 321 I HN 0.171 nan 8.210 nan 0.000 0.414 322 L N 0.138 121.539 121.223 0.296 0.000 2.141 322 L HA -0.147 4.194 4.340 0.001 0.000 0.209 322 L C 2.267 179.281 176.870 0.239 0.000 1.094 322 L CA 1.601 56.643 54.840 0.337 0.000 0.763 322 L CB -0.451 41.854 42.059 0.410 0.000 0.908 322 L HN 0.157 nan 8.230 nan 0.000 0.437 323 I N -0.912 119.797 120.570 0.232 0.000 2.179 323 I HA -0.252 3.919 4.170 0.001 0.000 0.242 323 I C 2.507 178.746 176.117 0.203 0.000 1.088 323 I CA 1.497 62.917 61.300 0.200 0.000 1.357 323 I CB -0.918 37.220 38.000 0.230 0.000 1.051 323 I HN 0.345 nan 8.210 nan 0.000 0.409 324 G N 0.141 109.098 108.800 0.261 0.000 2.421 324 G HA2 -0.232 3.729 3.960 0.001 0.000 0.216 324 G HA3 -0.232 3.729 3.960 0.001 0.000 0.216 324 G C 1.505 176.533 174.900 0.213 0.000 1.171 324 G CA 0.563 45.835 45.100 0.287 0.000 0.775 324 G HN 0.391 nan 8.290 nan 0.000 0.543 325 E N -0.167 120.173 120.200 0.233 0.000 2.130 325 E HA -0.142 4.208 4.350 0.001 0.000 0.196 325 E C 2.753 179.519 176.600 0.277 0.000 0.998 325 E CA 1.562 58.124 56.400 0.270 0.000 0.806 325 E CB -0.191 29.737 29.700 0.380 0.000 0.738 325 E HN 0.384 nan 8.360 nan 0.000 0.459 326 T N 1.108 115.804 114.554 0.237 0.000 2.737 326 T HA -0.100 4.251 4.350 0.001 0.000 0.265 326 T C 2.009 176.709 174.700 -0.000 0.000 1.038 326 T CA 0.917 63.118 62.100 0.168 0.000 1.144 326 T CB -0.169 68.711 68.868 0.021 0.000 0.866 326 T HN 0.102 nan 8.240 nan 0.000 0.434 327 I N 0.999 121.495 120.570 -0.124 0.000 2.286 327 I HA -0.150 4.020 4.170 0.001 0.000 0.248 327 I C 2.513 178.291 176.117 -0.564 0.000 1.115 327 I CA 1.064 62.135 61.300 -0.381 0.000 1.392 327 I CB -0.280 37.353 38.000 -0.611 0.000 1.065 327 I HN 0.123 nan 8.210 nan 0.000 0.418 328 K N 1.864 121.966 120.400 -0.495 0.000 2.032 328 K HA -0.159 4.162 4.320 0.001 0.000 0.209 328 K C 1.869 178.473 176.600 0.007 0.000 1.048 328 K CA 1.857 58.068 56.287 -0.127 0.000 0.927 328 K CB -0.405 32.216 32.500 0.202 0.000 0.712 328 K HN 0.262 nan 8.250 nan 0.000 0.441 329 I N -0.032 120.564 120.570 0.042 0.000 2.202 329 I HA -0.233 3.938 4.170 0.001 0.000 0.242 329 I C 2.061 178.211 176.117 0.056 0.000 1.091 329 I CA 0.869 62.211 61.300 0.070 0.000 1.368 329 I CB -0.193 37.891 38.000 0.140 0.000 1.058 329 I HN -0.032 nan 8.210 nan 0.000 0.410 330 V N 1.256 121.148 119.914 -0.036 0.000 2.332 330 V HA -0.303 3.818 4.120 0.001 0.000 0.248 330 V C 2.251 178.415 176.094 0.116 0.000 1.055 330 V CA 1.934 64.180 62.300 -0.091 0.000 1.038 330 V CB -0.434 31.142 31.823 -0.411 0.000 0.651 330 V HN 0.341 nan 8.190 nan 0.000 0.450 331 I N -0.502 120.102 120.570 0.056 0.000 2.235 331 I HA -0.141 4.029 4.170 0.001 0.000 0.241 331 I C 2.415 178.611 176.117 0.133 0.000 1.085 331 I CA 1.479 62.846 61.300 0.113 0.000 1.378 331 I CB -0.318 37.737 38.000 0.092 0.000 1.076 331 I HN 0.328 nan 8.210 nan 0.000 0.415 332 E N 0.147 120.415 120.200 0.114 0.000 2.442 332 E HA -0.091 4.260 4.350 0.001 0.000 0.195 332 E C 0.847 177.506 176.600 0.099 0.000 1.030 332 E CA 0.537 56.992 56.400 0.092 0.000 0.869 332 E CB 0.318 30.068 29.700 0.083 0.000 0.857 332 E HN 0.495 nan 8.360 nan 0.000 0.505 333 D N -0.791 119.704 120.400 0.159 0.000 2.932 333 D HA -0.038 4.603 4.640 0.001 0.000 0.294 333 D C 1.481 178.065 176.300 0.474 0.000 1.119 333 D CA 0.177 54.306 54.000 0.215 0.000 0.980 333 D CB -0.238 40.605 40.800 0.070 0.000 1.361 333 D HN 0.049 nan 8.370 nan 0.000 0.466 334 Y N 2.416 122.928 120.300 0.355 0.000 2.130 334 Y HA -0.160 4.391 4.550 0.001 0.000 0.287 334 Y C 2.225 178.277 175.900 0.252 0.000 1.124 334 Y CA 1.495 59.740 58.100 0.243 0.000 1.118 334 Y CB -0.344 38.107 38.460 -0.015 0.000 0.994 334 Y HN -0.274 nan 8.280 nan 0.000 0.497 335 V N 0.640 120.771 119.914 0.361 0.000 2.343 335 V HA -0.309 3.812 4.120 0.001 0.000 0.247 335 V C 2.318 178.436 176.094 0.039 0.000 1.051 335 V CA 2.093 64.504 62.300 0.186 0.000 1.036 335 V CB -0.860 31.096 31.823 0.222 0.000 0.654 335 V HN 0.411 nan 8.190 nan 0.000 0.451 336 Q N 0.367 120.219 119.800 0.086 0.000 2.062 336 Q HA -0.303 4.038 4.340 0.001 0.000 0.209 336 Q C 2.139 178.122 176.000 -0.030 0.000 0.996 336 Q CA 2.782 58.600 55.803 0.024 0.000 0.859 336 Q CB -0.566 28.211 28.738 0.065 0.000 0.920 336 Q HN 0.870 nan 8.270 nan 0.000 0.415 337 H N -1.094 117.953 119.070 -0.039 0.000 2.326 337 H HA -0.075 4.482 4.556 0.001 0.000 0.301 337 H C 1.587 176.748 175.328 -0.279 0.000 1.081 337 H CA 1.628 57.602 56.048 -0.122 0.000 1.334 337 H CB -0.446 29.287 29.762 -0.048 0.000 1.385 337 H HN 0.314 nan 8.280 nan 0.000 0.504 338 L N 0.811 121.689 121.223 -0.576 0.000 2.042 338 L HA -0.168 4.173 4.340 0.001 0.000 0.210 338 L C 2.739 179.294 176.870 -0.524 0.000 1.076 338 L CA 2.118 56.565 54.840 -0.655 0.000 0.749 338 L CB -1.320 40.562 42.059 -0.295 0.000 0.893 338 L HN 0.618 nan 8.230 nan 0.000 0.432 339 S N -0.986 114.446 115.700 -0.446 0.000 2.402 339 S HA -0.012 4.459 4.470 0.001 0.000 0.229 339 S C 1.765 176.018 174.600 -0.578 0.000 1.021 339 S CA 0.885 58.704 58.200 -0.635 0.000 0.974 339 S CB -0.693 61.907 63.200 -0.999 0.000 0.800 339 S HN 0.672 nan 8.310 nan 0.000 0.484 340 G N -0.200 108.332 108.800 -0.447 0.000 2.168 340 G HA2 -0.255 3.706 3.960 0.001 0.000 0.263 340 G HA3 -0.255 3.706 3.960 0.001 0.000 0.263 340 G C -0.136 174.602 174.900 -0.270 0.000 0.977 340 G CA 0.468 45.367 45.100 -0.336 0.000 0.659 340 G HN 0.529 nan 8.290 nan 0.000 0.533 341 Y N -0.033 120.064 120.300 -0.338 0.000 2.336 341 Y HA 0.452 5.003 4.550 0.001 0.000 0.331 341 Y C 1.725 177.408 175.900 -0.362 0.000 1.211 341 Y CA -0.448 57.408 58.100 -0.406 0.000 1.346 341 Y CB 0.464 38.767 38.460 -0.261 0.000 1.271 341 Y HN 0.305 nan 8.280 nan 0.000 0.538 342 H N 1.238 120.192 119.070 -0.193 0.000 2.482 342 H HA -0.031 4.526 4.556 0.001 0.000 0.286 342 H C 0.204 175.444 175.328 -0.147 0.000 1.017 342 H CA -0.066 55.892 56.048 -0.150 0.000 1.322 342 H CB 0.160 29.884 29.762 -0.064 0.000 1.426 342 H HN 0.434 nan 8.280 nan 0.000 0.546 343 F N 2.952 122.608 119.950 -0.490 0.000 2.608 343 F HA 0.005 4.532 4.527 0.001 0.000 0.380 343 F C 0.519 176.277 175.800 -0.070 0.000 1.083 343 F CA -0.349 57.447 58.000 -0.341 0.000 1.266 343 F CB 0.422 38.987 39.000 -0.724 0.000 1.076 343 F HN -0.176 nan 8.300 nan 0.000 0.574 344 K N 8.050 127.950 120.400 -0.834 0.000 2.250 344 K HA 0.313 4.634 4.320 0.001 0.000 0.285 344 K C -0.648 175.441 176.600 -0.851 0.000 1.097 344 K CA -0.449 55.476 56.287 -0.603 0.000 0.913 344 K CB 0.132 32.444 32.500 -0.313 0.000 1.179 344 K HN 0.718 nan 8.250 nan 0.000 0.462 345 L N 3.318 124.272 121.223 -0.448 0.000 2.467 345 L HA 0.187 4.528 4.340 0.001 0.000 0.270 345 L C 0.224 177.045 176.870 -0.081 0.000 1.205 345 L CA 0.206 54.940 54.840 -0.178 0.000 0.828 345 L CB 0.388 42.471 42.059 0.039 0.000 1.101 345 L HN 0.554 nan 8.230 nan 0.000 0.479 346 K N 1.627 122.043 120.400 0.026 0.000 2.482 346 K HA 0.322 4.643 4.320 0.001 0.000 0.251 346 K C -1.417 175.266 176.600 0.138 0.000 0.936 346 K CA -0.689 55.631 56.287 0.056 0.000 0.791 346 K CB 1.474 33.984 32.500 0.017 0.000 1.213 346 K HN 0.291 nan 8.250 nan 0.000 0.428 347 F N 4.576 124.515 119.950 -0.018 0.000 2.405 347 F HA 0.343 4.871 4.527 0.001 0.000 0.358 347 F C -0.919 174.825 175.800 -0.094 0.000 1.151 347 F CA -0.618 57.353 58.000 -0.049 0.000 1.161 347 F CB 0.511 39.500 39.000 -0.018 0.000 1.245 347 F HN 0.518 nan 8.300 nan 0.000 0.545 348 D N 8.355 128.494 120.400 -0.436 0.000 2.337 348 D HA 0.315 4.956 4.640 0.001 0.000 0.238 348 D C -2.269 173.645 176.300 -0.642 0.000 1.331 348 D CA -1.867 51.801 54.000 -0.552 0.000 0.967 348 D CB 1.801 42.456 40.800 -0.241 0.000 1.382 348 D HN 0.158 nan 8.370 nan 0.000 0.549 349 P HA -0.134 nan 4.420 nan 0.000 0.217 349 P C 0.946 177.552 177.300 -1.156 0.000 1.148 349 P CA 1.011 63.562 63.100 -0.915 0.000 0.828 349 P CB 0.371 31.287 31.700 -1.307 0.000 0.783 350 E N -0.575 118.944 120.200 -1.135 0.000 2.219 350 E HA -0.171 4.179 4.350 0.001 0.000 0.198 350 E C 1.874 178.058 176.600 -0.694 0.000 0.998 350 E CA 0.743 56.421 56.400 -1.203 0.000 0.818 350 E CB -0.652 28.852 29.700 -0.327 0.000 0.741 350 E HN 0.305 nan 8.360 nan 0.000 0.477 351 L N 0.284 121.245 121.223 -0.436 0.000 2.189 351 L HA -0.210 4.131 4.340 0.001 0.000 0.214 351 L C 2.109 178.880 176.870 -0.164 0.000 1.097 351 L CA 0.961 55.673 54.840 -0.212 0.000 0.764 351 L CB -0.231 41.740 42.059 -0.147 0.000 0.900 351 L HN 0.191 nan 8.230 nan 0.000 0.436 352 L N -2.187 118.894 121.223 -0.237 0.000 2.585 352 L HA 0.047 4.388 4.340 0.001 0.000 0.226 352 L C 1.988 179.006 176.870 0.247 0.000 1.113 352 L CA -0.017 54.799 54.840 -0.039 0.000 0.876 352 L CB -0.156 41.806 42.059 -0.162 0.000 1.072 352 L HN 0.160 nan 8.230 nan 0.000 0.468 353 F N 1.337 121.357 119.950 0.115 0.000 2.293 353 F HA -0.150 4.378 4.527 0.001 0.000 0.300 353 F C 1.895 177.775 175.800 0.134 0.000 1.086 353 F CA 0.408 58.500 58.000 0.153 0.000 1.375 353 F CB -0.099 38.986 39.000 0.140 0.000 1.045 353 F HN 0.394 nan 8.300 nan 0.000 0.516 354 N N -0.185 118.683 118.700 0.280 0.000 2.276 354 N HA 0.036 4.777 4.740 0.001 0.000 0.212 354 N C -0.316 175.289 175.510 0.157 0.000 1.127 354 N CA 0.120 53.285 53.050 0.191 0.000 0.834 354 N CB 0.035 38.614 38.487 0.152 0.000 1.014 354 N HN 0.194 nan 8.380 nan 0.000 0.491 355 Q N 0.278 120.184 119.800 0.176 0.000 2.413 355 Q HA 0.379 4.719 4.340 0.001 0.000 0.276 355 Q C -1.135 174.967 176.000 0.170 0.000 1.099 355 Q CA -0.492 55.398 55.803 0.146 0.000 0.814 355 Q CB 1.906 30.715 28.738 0.118 0.000 1.379 355 Q HN 0.216 nan 8.270 nan 0.000 0.436 356 Q N 1.582 121.467 119.800 0.141 0.000 2.307 356 Q HA 0.470 4.810 4.340 0.001 0.000 0.259 356 Q C -1.206 174.901 176.000 0.178 0.000 0.998 356 Q CA 0.124 56.005 55.803 0.130 0.000 0.923 356 Q CB 0.522 29.308 28.738 0.080 0.000 1.196 356 Q HN 0.444 nan 8.270 nan 0.000 0.416 357 F N 1.431 121.336 119.950 -0.075 0.000 2.615 357 F HA 0.210 4.737 4.527 0.001 0.000 0.312 357 F C -1.318 174.290 175.800 -0.320 0.000 1.119 357 F CA -0.868 57.007 58.000 -0.209 0.000 0.979 357 F CB 1.834 40.650 39.000 -0.306 0.000 1.266 357 F HN 0.271 nan 8.300 nan 0.000 0.444 358 Q N 5.334 124.612 119.800 -0.871 0.000 2.349 358 Q HA 0.178 4.518 4.340 0.001 0.000 0.254 358 Q C -1.164 174.455 176.000 -0.636 0.000 0.980 358 Q CA -0.192 55.273 55.803 -0.563 0.000 0.924 358 Q CB 0.851 29.354 28.738 -0.390 0.000 1.209 358 Q HN 0.682 nan 8.270 nan 0.000 0.445 359 Y N 2.964 123.259 120.300 -0.008 0.000 2.734 359 Y HA 0.030 4.580 4.550 0.001 0.000 0.353 359 Y C 0.688 176.600 175.900 0.021 0.000 1.244 359 Y CA -0.150 58.014 58.100 0.105 0.000 1.950 359 Y CB 0.051 38.615 38.460 0.174 0.000 2.028 359 Y HN 0.414 nan 8.280 nan 0.000 0.421 360 Q N -0.283 119.529 119.800 0.020 0.000 2.575 360 Q HA 0.563 4.904 4.340 0.001 0.000 0.290 360 Q C -1.947 174.026 176.000 -0.046 0.000 0.963 360 Q CA -1.306 54.500 55.803 0.005 0.000 0.783 360 Q CB 2.117 30.852 28.738 -0.005 0.000 1.467 360 Q HN 0.234 nan 8.270 nan 0.000 0.402 361 N N -0.334 118.346 118.700 -0.034 0.000 2.367 361 N HA 0.532 5.273 4.740 0.001 0.000 0.278 361 N C -2.203 173.263 175.510 -0.072 0.000 1.117 361 N CA -0.552 52.471 53.050 -0.045 0.000 0.867 361 N CB 2.407 40.882 38.487 -0.020 0.000 1.649 361 N HN 0.616 nan 8.380 nan 0.000 0.479 362 R N 3.100 123.547 120.500 -0.088 0.000 2.476 362 R HA 0.518 4.859 4.340 0.001 0.000 0.305 362 R C -0.797 175.546 176.300 0.073 0.000 0.965 362 R CA -0.578 55.414 56.100 -0.180 0.000 0.867 362 R CB 0.504 30.630 30.300 -0.290 0.000 1.176 362 R HN 0.516 nan 8.270 nan 0.000 0.447 363 I N 3.640 124.448 120.570 0.398 0.000 2.683 363 I HA 0.138 4.309 4.170 0.001 0.000 0.286 363 I C 0.613 176.921 176.117 0.317 0.000 1.175 363 I CA 0.192 61.708 61.300 0.360 0.000 1.429 363 I CB 0.353 38.627 38.000 0.456 0.000 1.371 363 I HN 0.725 nan 8.210 nan 0.000 0.569 364 A N 4.859 127.728 122.820 0.083 0.000 2.310 364 A HA 0.316 4.637 4.320 0.001 0.000 0.299 364 A C 1.215 178.698 177.584 -0.168 0.000 1.147 364 A CA -0.193 51.789 52.037 -0.092 0.000 0.818 364 A CB 0.895 19.612 19.000 -0.472 0.000 1.096 364 A HN 0.797 nan 8.150 nan 0.000 0.495 365 S N 0.845 116.462 115.700 -0.139 0.000 2.368 365 S HA -0.161 4.309 4.470 0.001 0.000 0.225 365 S C 1.544 176.005 174.600 -0.232 0.000 1.030 365 S CA 2.226 60.260 58.200 -0.277 0.000 0.999 365 S CB -0.368 62.821 63.200 -0.018 0.000 0.844 365 S HN 0.779 nan 8.310 nan 0.000 0.459 366 E N 0.142 120.216 120.200 -0.211 0.000 2.204 366 E HA -0.037 4.313 4.350 0.001 0.000 0.194 366 E C 1.531 178.036 176.600 -0.159 0.000 0.989 366 E CA 0.895 57.186 56.400 -0.182 0.000 0.824 366 E CB -0.286 29.274 29.700 -0.234 0.000 0.756 366 E HN 0.596 nan 8.360 nan 0.000 0.477 367 F N 1.857 121.422 119.950 -0.641 0.000 2.146 367 F HA -0.110 4.417 4.527 0.001 0.000 0.298 367 F C 1.918 177.544 175.800 -0.291 0.000 1.096 367 F CA 1.101 58.814 58.000 -0.478 0.000 1.275 367 F CB -0.409 38.166 39.000 -0.707 0.000 1.008 367 F HN 0.004 nan 8.300 nan 0.000 0.480 368 N N 0.146 118.443 118.700 -0.672 0.000 2.043 368 N HA -0.191 4.550 4.740 0.001 0.000 0.193 368 N C 1.724 176.878 175.510 -0.592 0.000 1.037 368 N CA 2.399 54.640 53.050 -1.348 0.000 0.851 368 N CB -0.621 37.151 38.487 -1.192 0.000 1.027 368 N HN 0.295 nan 8.380 nan 0.000 0.422 369 T N 2.012 116.363 114.554 -0.339 0.000 2.665 369 T HA -0.165 4.186 4.350 0.001 0.000 0.268 369 T C 1.913 176.609 174.700 -0.007 0.000 1.035 369 T CA 1.833 63.792 62.100 -0.235 0.000 1.151 369 T CB -0.393 68.425 68.868 -0.084 0.000 0.862 369 T HN 0.434 nan 8.240 nan 0.000 0.438 370 L N -1.331 119.908 121.223 0.027 0.000 2.376 370 L HA 0.207 4.548 4.340 0.001 0.000 0.219 370 L C 1.886 178.815 176.870 0.098 0.000 1.133 370 L CA 1.314 56.225 54.840 0.118 0.000 0.816 370 L CB -1.111 41.017 42.059 0.115 0.000 0.933 370 L HN 0.171 nan 8.230 nan 0.000 0.449 371 Y N -0.106 120.044 120.300 -0.250 0.000 2.490 371 Y HA 0.141 4.692 4.550 0.001 0.000 0.281 371 Y C 0.879 176.354 175.900 -0.708 0.000 1.174 371 Y CA -0.177 57.447 58.100 -0.794 0.000 1.295 371 Y CB -0.083 37.932 38.460 -0.740 0.000 1.062 371 Y HN 0.268 nan 8.280 nan 0.000 0.522 372 H N 0.264 119.254 119.070 -0.132 0.000 3.629 372 H HA -0.104 4.453 4.556 0.001 0.000 0.245 372 H C -0.584 174.901 175.328 0.262 0.000 1.599 372 H CA -0.047 56.027 56.048 0.044 0.000 1.557 372 H CB -0.388 29.516 29.762 0.236 0.000 1.823 372 H HN 0.396 nan 8.280 nan 0.000 0.614 373 W N 1.933 123.233 121.300 -0.000 0.000 2.676 373 W HA 0.127 4.788 4.660 0.001 0.000 0.430 373 W C 0.739 177.259 176.519 0.001 0.000 0.690 373 W CA -1.034 56.357 57.345 0.075 0.000 2.297 373 W CB -1.094 28.469 29.460 0.171 0.000 1.361 373 W HN 0.652 nan 8.180 nan 0.000 0.800 374 H N 0.348 119.656 119.070 0.396 0.000 2.489 374 H HA -0.097 4.460 4.556 0.001 0.000 0.293 374 H C -0.570 174.912 175.328 0.257 0.000 1.066 374 H CA 1.392 57.618 56.048 0.296 0.000 1.305 374 H CB -1.107 28.812 29.762 0.262 0.000 1.386 374 H HN 0.021 nan 8.280 nan 0.000 0.551 375 P HA -0.140 nan 4.420 nan 0.000 0.221 375 P C 1.081 178.503 177.300 0.203 0.000 1.145 375 P CA 1.006 64.236 63.100 0.217 0.000 0.795 375 P CB 0.012 31.795 31.700 0.137 0.000 0.775 376 L N -1.746 119.602 121.223 0.209 0.000 2.127 376 L HA -0.132 4.208 4.340 0.001 0.000 0.211 376 L C 1.155 178.127 176.870 0.170 0.000 1.089 376 L CA 0.624 55.571 54.840 0.179 0.000 0.757 376 L CB -0.850 41.337 42.059 0.213 0.000 0.899 376 L HN 0.009 nan 8.230 nan 0.000 0.434 377 L N 1.369 122.708 121.223 0.192 0.000 2.453 377 L HA 0.130 4.470 4.340 0.001 0.000 0.272 377 L C -1.854 175.047 176.870 0.051 0.000 1.182 377 L CA -1.607 53.314 54.840 0.135 0.000 0.858 377 L CB -0.099 42.180 42.059 0.367 0.000 1.120 377 L HN -0.113 nan 8.230 nan 0.000 0.474 378 P HA 0.115 nan 4.420 nan 0.000 0.276 378 P C -0.468 176.588 177.300 -0.406 0.000 1.261 378 P CA -0.462 62.314 63.100 -0.541 0.000 0.800 378 P CB 1.102 32.368 31.700 -0.723 0.000 1.066 379 D N -1.119 119.042 120.400 -0.398 0.000 2.224 379 D HA -0.017 4.624 4.640 0.001 0.000 0.205 379 D C 0.882 177.087 176.300 -0.158 0.000 0.965 379 D CA 1.535 55.462 54.000 -0.122 0.000 0.852 379 D CB -0.025 40.703 40.800 -0.121 0.000 0.947 379 D HN 0.532 nan 8.370 nan 0.000 0.494 380 T N -2.505 111.809 114.554 -0.399 0.000 2.896 380 T HA 0.582 4.933 4.350 0.001 0.000 0.297 380 T C -0.742 173.572 174.700 -0.644 0.000 1.108 380 T CA -0.929 60.940 62.100 -0.385 0.000 1.004 380 T CB 1.395 70.159 68.868 -0.173 0.000 1.159 380 T HN -0.221 nan 8.240 nan 0.000 0.499 381 F N 1.791 121.577 119.950 -0.273 0.000 2.415 381 F HA 0.512 5.040 4.527 0.001 0.000 0.348 381 F C 0.447 176.174 175.800 -0.122 0.000 1.119 381 F CA -0.972 56.852 58.000 -0.294 0.000 1.069 381 F CB 1.278 39.757 39.000 -0.868 0.000 1.124 381 F HN 0.434 nan 8.300 nan 0.000 0.472 382 N N 5.059 123.786 118.700 0.045 0.000 2.558 382 N HA 0.437 5.178 4.740 0.001 0.000 0.242 382 N C -0.939 174.447 175.510 -0.207 0.000 0.979 382 N CA -0.228 52.772 53.050 -0.082 0.000 0.931 382 N CB 1.286 39.718 38.487 -0.091 0.000 1.122 382 N HN 0.487 nan 8.380 nan 0.000 0.508 383 I N 0.988 121.391 120.570 -0.277 0.000 2.382 383 I HA 0.197 4.367 4.170 0.001 0.000 0.286 383 I C 0.969 176.829 176.117 -0.429 0.000 1.002 383 I CA -0.442 60.546 61.300 -0.521 0.000 1.135 383 I CB 1.115 38.660 38.000 -0.759 0.000 1.288 383 I HN 0.528 nan 8.210 nan 0.000 0.448 384 E N 3.233 123.256 120.200 -0.295 0.000 3.259 384 E HA -0.324 4.026 4.350 0.001 0.000 0.332 384 E C 0.233 176.776 176.600 -0.095 0.000 1.477 384 E CA 1.976 58.298 56.400 -0.131 0.000 1.742 384 E CB -0.370 29.322 29.700 -0.014 0.000 1.842 384 E HN 0.802 nan 8.360 nan 0.000 0.499 385 D N 0.701 121.080 120.400 -0.035 0.000 2.178 385 D HA -0.059 4.582 4.640 0.001 0.000 0.202 385 D C 0.462 176.698 176.300 -0.107 0.000 0.974 385 D CA 1.090 55.061 54.000 -0.048 0.000 0.841 385 D CB -0.074 40.720 40.800 -0.010 0.000 0.953 385 D HN 0.150 nan 8.370 nan 0.000 0.478 386 Q N 0.747 120.452 119.800 -0.159 0.000 2.368 386 Q HA 0.286 4.627 4.340 0.001 0.000 0.237 386 Q C -0.164 175.593 176.000 -0.405 0.000 0.987 386 Q CA 0.315 55.914 55.803 -0.339 0.000 0.896 386 Q CB 1.091 29.487 28.738 -0.570 0.000 1.241 386 Q HN 0.250 nan 8.270 nan 0.000 0.485 387 E N 1.621 121.561 120.200 -0.433 0.000 2.216 387 E HA 0.300 4.651 4.350 0.001 0.000 0.260 387 E C -1.291 175.133 176.600 -0.294 0.000 0.880 387 E CA -0.352 55.872 56.400 -0.294 0.000 0.765 387 E CB 1.101 30.701 29.700 -0.166 0.000 1.174 387 E HN 0.376 nan 8.360 nan 0.000 0.417 388 Y N 1.245 121.564 120.300 0.033 0.000 2.330 388 Y HA 0.157 4.708 4.550 0.001 0.000 0.336 388 Y C 1.085 177.062 175.900 0.129 0.000 1.036 388 Y CA -0.723 57.448 58.100 0.119 0.000 1.125 388 Y CB 1.432 40.020 38.460 0.214 0.000 1.194 388 Y HN 0.432 nan 8.280 nan 0.000 0.469 389 S N 1.656 117.538 115.700 0.303 0.000 2.596 389 S HA 0.104 4.574 4.470 0.001 0.000 0.260 389 S C 0.904 175.747 174.600 0.406 0.000 1.336 389 S CA -0.386 57.997 58.200 0.305 0.000 0.993 389 S CB 0.341 63.699 63.200 0.263 0.000 0.923 389 S HN 0.563 nan 8.310 nan 0.000 0.567 390 F N 1.045 121.183 119.950 0.313 0.000 2.095 390 F HA -0.025 4.503 4.527 0.001 0.000 0.298 390 F C 2.704 178.642 175.800 0.229 0.000 1.104 390 F CA 1.863 60.068 58.000 0.342 0.000 1.232 390 F CB -0.351 38.799 39.000 0.250 0.000 0.987 390 F HN 0.565 nan 8.300 nan 0.000 0.475 391 K N 0.627 121.253 120.400 0.375 0.000 2.103 391 K HA -0.210 4.110 4.320 0.001 0.000 0.207 391 K C 1.907 178.641 176.600 0.225 0.000 1.048 391 K CA 1.703 58.143 56.287 0.256 0.000 0.930 391 K CB -0.317 32.313 32.500 0.217 0.000 0.716 391 K HN 0.414 nan 8.250 nan 0.000 0.444 392 Q N -1.283 118.675 119.800 0.263 0.000 2.137 392 Q HA -0.084 4.257 4.340 0.001 0.000 0.198 392 Q C 1.959 178.078 176.000 0.199 0.000 0.960 392 Q CA 1.129 57.087 55.803 0.259 0.000 0.847 392 Q CB -0.125 28.832 28.738 0.364 0.000 0.915 392 Q HN 0.181 nan 8.270 nan 0.000 0.448 393 F N 1.132 121.092 119.950 0.015 0.000 2.128 393 F HA 0.023 4.551 4.527 0.001 0.000 0.295 393 F C 0.710 176.376 175.800 -0.224 0.000 1.100 393 F CA 0.533 58.427 58.000 -0.177 0.000 1.260 393 F CB 0.071 38.888 39.000 -0.305 0.000 1.009 393 F HN -0.102 nan 8.300 nan 0.000 0.476 394 L N 0.731 121.829 121.223 -0.209 0.000 2.456 394 L HA -0.054 4.287 4.340 0.001 0.000 0.272 394 L C 0.287 176.819 176.870 -0.563 0.000 1.189 394 L CA -0.111 54.396 54.840 -0.555 0.000 0.846 394 L CB -0.340 41.252 42.059 -0.778 0.000 1.111 394 L HN 0.455 nan 8.230 nan 0.000 0.475 395 Y N 0.434 120.714 120.300 -0.033 0.000 4.324 395 Y HA -0.288 4.263 4.550 0.001 0.000 0.224 395 Y C 0.460 176.365 175.900 0.007 0.000 1.113 395 Y CA 0.117 58.233 58.100 0.026 0.000 1.887 395 Y CB -1.811 36.705 38.460 0.094 0.000 1.602 395 Y HN 0.660 nan 8.280 nan 0.000 0.654 396 N N 1.236 119.906 118.700 -0.050 0.000 2.851 396 N HA 0.238 4.979 4.740 0.001 0.000 0.248 396 N C 0.190 175.615 175.510 -0.141 0.000 1.221 396 N CA -0.408 52.606 53.050 -0.061 0.000 0.847 396 N CB 0.202 38.642 38.487 -0.078 0.000 1.150 396 N HN 0.194 nan 8.380 nan 0.000 0.507 397 N N -0.087 118.584 118.700 -0.049 0.000 2.515 397 N HA -0.021 4.720 4.740 0.001 0.000 0.185 397 N C 1.128 176.598 175.510 -0.066 0.000 1.109 397 N CA 0.286 53.289 53.050 -0.079 0.000 0.903 397 N CB 0.296 38.824 38.487 0.069 0.000 0.969 397 N HN 0.287 nan 8.380 nan 0.000 0.450 398 S N 1.085 116.767 115.700 -0.031 0.000 2.400 398 S HA -0.000 4.470 4.470 0.001 0.000 0.232 398 S C 1.934 176.514 174.600 -0.034 0.000 1.025 398 S CA 0.574 58.755 58.200 -0.031 0.000 0.993 398 S CB -0.069 63.128 63.200 -0.005 0.000 0.808 398 S HN 0.322 nan 8.310 nan 0.000 0.478 399 I N 0.563 121.112 120.570 -0.035 0.000 2.252 399 I HA -0.166 4.004 4.170 0.001 0.000 0.245 399 I C 2.237 178.451 176.117 0.162 0.000 1.102 399 I CA 0.730 62.074 61.300 0.075 0.000 1.385 399 I CB -0.278 37.683 38.000 -0.065 0.000 1.064 399 I HN 0.253 nan 8.210 nan 0.000 0.414 400 L N 0.748 121.906 121.223 -0.109 0.000 2.017 400 L HA -0.181 4.160 4.340 0.001 0.000 0.208 400 L C 2.310 179.059 176.870 -0.203 0.000 1.073 400 L CA 1.868 56.447 54.840 -0.434 0.000 0.745 400 L CB -0.478 41.228 42.059 -0.588 0.000 0.894 400 L HN 0.130 nan 8.230 nan 0.000 0.432 401 L N -0.786 120.328 121.223 -0.181 0.000 2.083 401 L HA -0.200 4.141 4.340 0.001 0.000 0.209 401 L C 2.529 179.368 176.870 -0.052 0.000 1.083 401 L CA 1.467 56.212 54.840 -0.157 0.000 0.752 401 L CB -0.584 41.358 42.059 -0.194 0.000 0.899 401 L HN 0.381 nan 8.230 nan 0.000 0.433 402 E N -0.263 119.904 120.200 -0.055 0.000 2.031 402 E HA -0.226 4.125 4.350 0.001 0.000 0.193 402 E C 2.180 178.697 176.600 -0.139 0.000 0.994 402 E CA 1.518 57.845 56.400 -0.122 0.000 0.800 402 E CB 0.010 29.591 29.700 -0.198 0.000 0.752 402 E HN 0.447 nan 8.360 nan 0.000 0.447 403 H N -0.611 118.536 119.070 0.128 0.000 2.497 403 H HA 0.243 4.800 4.556 0.001 0.000 0.282 403 H C 1.066 176.470 175.328 0.126 0.000 1.003 403 H CA 0.894 57.039 56.048 0.162 0.000 1.307 403 H CB 0.218 30.149 29.762 0.282 0.000 1.437 403 H HN 0.310 nan 8.280 nan 0.000 0.544 404 G N 0.913 109.821 108.800 0.179 0.000 2.787 404 G HA2 -0.226 3.735 3.960 0.001 0.000 0.685 404 G HA3 -0.226 3.735 3.960 0.001 0.000 0.685 404 G C 0.645 175.575 174.900 0.049 0.000 1.437 404 G CA -0.148 45.013 45.100 0.101 0.000 0.872 404 G HN 0.175 nan 8.290 nan 0.000 0.566 405 L N 0.783 121.973 121.223 -0.055 0.000 2.056 405 L HA -0.082 4.259 4.340 0.001 0.000 0.207 405 L C 3.249 180.122 176.870 0.005 0.000 1.078 405 L CA 2.940 57.723 54.840 -0.096 0.000 0.749 405 L CB -1.775 40.170 42.059 -0.190 0.000 0.901 405 L HN 0.867 nan 8.230 nan 0.000 0.433 406 T N -0.783 113.768 114.554 -0.004 0.000 2.635 406 T HA -0.289 4.062 4.350 0.001 0.000 0.267 406 T C 1.831 176.553 174.700 0.036 0.000 1.040 406 T CA 1.794 63.897 62.100 0.005 0.000 1.156 406 T CB -0.145 68.724 68.868 0.001 0.000 0.863 406 T HN 0.169 nan 8.240 nan 0.000 0.430 407 Q N -0.032 119.812 119.800 0.073 0.000 2.124 407 Q HA -0.011 4.329 4.340 0.001 0.000 0.202 407 Q C 1.853 177.850 176.000 -0.005 0.000 0.977 407 Q CA 1.369 57.204 55.803 0.054 0.000 0.850 407 Q CB -0.657 28.149 28.738 0.112 0.000 0.901 407 Q HN 0.491 nan 8.270 nan 0.000 0.429 408 F N -0.905 118.946 119.950 -0.166 0.000 2.095 408 F HA -0.235 4.293 4.527 0.001 0.000 0.298 408 F C 2.201 177.867 175.800 -0.223 0.000 1.104 408 F CA 1.325 59.141 58.000 -0.305 0.000 1.232 408 F CB -0.696 38.184 39.000 -0.201 0.000 0.987 408 F HN -0.055 nan 8.300 nan 0.000 0.475 409 V N -0.197 119.764 119.914 0.079 0.000 2.295 409 V HA -0.298 3.823 4.120 0.001 0.000 0.246 409 V C 2.185 178.300 176.094 0.034 0.000 1.049 409 V CA 2.196 64.529 62.300 0.055 0.000 1.024 409 V CB -0.606 31.212 31.823 -0.008 0.000 0.648 409 V HN 0.324 nan 8.190 nan 0.000 0.447 410 E N -0.136 120.067 120.200 0.005 0.000 2.077 410 E HA -0.179 4.172 4.350 0.001 0.000 0.193 410 E C 2.414 179.010 176.600 -0.005 0.000 0.989 410 E CA 1.626 58.036 56.400 0.016 0.000 0.800 410 E CB -0.199 29.508 29.700 0.013 0.000 0.746 410 E HN 0.514 nan 8.360 nan 0.000 0.452 411 S N 0.323 115.961 115.700 -0.104 0.000 2.345 411 S HA -0.080 4.390 4.470 0.001 0.000 0.219 411 S C 1.602 176.189 174.600 -0.023 0.000 1.031 411 S CA 0.791 58.893 58.200 -0.163 0.000 0.984 411 S CB -0.194 62.757 63.200 -0.415 0.000 0.874 411 S HN 0.167 nan 8.310 nan 0.000 0.451 412 F N 2.245 122.184 119.950 -0.018 0.000 2.365 412 F HA -0.000 4.527 4.527 0.001 0.000 0.300 412 F C 2.625 178.481 175.800 0.093 0.000 1.090 412 F CA 0.499 58.536 58.000 0.062 0.000 1.408 412 F CB -1.576 37.508 39.000 0.140 0.000 1.060 412 F HN 0.144 nan 8.300 nan 0.000 0.534 413 T N -0.470 114.223 114.554 0.232 0.000 2.867 413 T HA -0.125 4.226 4.350 0.001 0.000 0.268 413 T C 2.114 176.898 174.700 0.140 0.000 1.057 413 T CA 1.018 63.210 62.100 0.153 0.000 1.136 413 T CB -0.096 68.818 68.868 0.076 0.000 0.874 413 T HN 0.227 nan 8.240 nan 0.000 0.466 414 R N 0.661 121.235 120.500 0.123 0.000 2.200 414 R HA 0.144 4.485 4.340 0.001 0.000 0.208 414 R C 1.329 177.683 176.300 0.090 0.000 1.033 414 R CA 0.242 56.397 56.100 0.092 0.000 1.000 414 R CB 0.085 30.418 30.300 0.055 0.000 0.906 414 R HN 0.409 nan 8.270 nan 0.000 0.462 415 Q N 1.664 121.539 119.800 0.126 0.000 2.279 415 Q HA 0.187 4.528 4.340 0.001 0.000 0.256 415 Q C -0.737 175.324 176.000 0.101 0.000 0.937 415 Q CA -0.274 55.591 55.803 0.103 0.000 0.933 415 Q CB 0.992 29.814 28.738 0.141 0.000 1.189 415 Q HN 0.101 nan 8.270 nan 0.000 0.417 416 I N 3.339 123.964 120.570 0.092 0.000 2.588 416 I HA 0.248 4.419 4.170 0.001 0.000 0.283 416 I C -0.257 175.972 176.117 0.187 0.000 1.119 416 I CA 0.175 61.554 61.300 0.131 0.000 1.419 416 I CB 0.781 38.877 38.000 0.161 0.000 1.394 416 I HN 0.794 nan 8.210 nan 0.000 0.562 417 A N 5.365 128.281 122.820 0.160 0.000 2.257 417 A HA 0.721 5.042 4.320 0.001 0.000 0.289 417 A C 0.264 177.992 177.584 0.240 0.000 1.095 417 A CA -0.079 52.073 52.037 0.192 0.000 0.836 417 A CB 0.296 19.367 19.000 0.119 0.000 1.111 417 A HN 0.857 nan 8.150 nan 0.000 0.497 418 G N -0.520 108.429 108.800 0.248 0.000 2.476 418 G HA2 0.483 4.444 3.960 0.001 0.000 0.286 418 G HA3 0.483 4.444 3.960 0.001 0.000 0.286 418 G C 0.102 174.927 174.900 -0.125 0.000 1.177 418 G CA -0.633 44.461 45.100 -0.010 0.000 0.870 418 G HN 0.858 nan 8.290 nan 0.000 0.528 419 R N 0.640 120.994 120.500 -0.243 0.000 2.543 419 R HA 0.254 4.594 4.340 0.001 0.000 0.277 419 R C 0.749 176.956 176.300 -0.154 0.000 1.074 419 R CA -0.475 55.486 56.100 -0.232 0.000 1.076 419 R CB 0.937 31.092 30.300 -0.242 0.000 0.993 419 R HN 0.256 nan 8.270 nan 0.000 0.459 420 V N 3.133 122.945 119.914 -0.171 0.000 2.436 420 V HA 0.115 4.235 4.120 0.001 0.000 0.240 420 V C 0.999 177.077 176.094 -0.027 0.000 1.040 420 V CA 1.384 63.647 62.300 -0.062 0.000 1.052 420 V CB -0.368 31.419 31.823 -0.059 0.000 0.707 420 V HN 0.896 nan 8.190 nan 0.000 0.469 421 A N -0.514 122.290 122.820 -0.026 0.000 2.249 421 A HA 0.555 4.876 4.320 0.001 0.000 0.281 421 A C 1.532 179.074 177.584 -0.070 0.000 1.127 421 A CA 0.540 52.559 52.037 -0.031 0.000 0.833 421 A CB -0.131 18.868 19.000 -0.001 0.000 1.140 421 A HN 1.368 nan 8.150 nan 0.000 0.502 422 G N -2.137 106.622 108.800 -0.068 0.000 2.217 422 G HA2 0.334 4.295 3.960 0.001 0.000 0.246 422 G HA3 0.334 4.295 3.960 0.001 0.000 0.246 422 G C 1.653 176.514 174.900 -0.065 0.000 0.990 422 G CA 0.681 45.737 45.100 -0.073 0.000 0.627 422 G HN 3.071 nan 8.290 nan 0.000 0.522 423 G N -0.825 107.940 108.800 -0.059 0.000 2.730 423 G HA2 0.302 4.262 3.960 0.001 0.000 0.686 423 G HA3 0.302 4.262 3.960 0.001 0.000 0.686 423 G C 0.230 175.108 174.900 -0.037 0.000 1.343 423 G CA 0.369 45.441 45.100 -0.047 0.000 0.826 423 G HN 1.608 nan 8.290 nan 0.000 0.582 424 R N -0.987 119.501 120.500 -0.021 0.000 3.333 424 R HA -0.221 4.119 4.340 0.001 0.000 0.256 424 R C 0.542 176.841 176.300 -0.001 0.000 1.010 424 R CA 1.129 57.224 56.100 -0.008 0.000 0.680 424 R CB -1.205 29.086 30.300 -0.014 0.000 1.102 424 R HN 0.768 nan 8.270 nan 0.000 0.440 425 N N -0.700 118.007 118.700 0.012 0.000 2.301 425 N HA 0.096 4.837 4.740 0.001 0.000 0.247 425 N C -0.989 174.571 175.510 0.084 0.000 1.347 425 N CA -0.047 53.022 53.050 0.031 0.000 0.844 425 N CB 1.157 39.631 38.487 -0.021 0.000 1.332 425 N HN 0.035 nan 8.380 nan 0.000 0.494 426 V N 2.605 122.571 119.914 0.088 0.000 2.488 426 V HA 0.388 4.509 4.120 0.001 0.000 0.277 426 V C -1.990 174.159 176.094 0.091 0.000 1.046 426 V CA -1.417 60.957 62.300 0.125 0.000 0.986 426 V CB 1.026 32.927 31.823 0.130 0.000 0.989 426 V HN 0.131 nan 8.190 nan 0.000 0.475 427 P HA 0.188 nan 4.420 nan 0.000 0.268 427 P C 1.071 178.332 177.300 -0.065 0.000 1.205 427 P CA 0.023 63.131 63.100 0.013 0.000 0.771 427 P CB 0.756 32.449 31.700 -0.011 0.000 0.858 428 I N 1.994 122.516 120.570 -0.081 0.000 2.454 428 I HA -0.267 3.903 4.170 0.001 0.000 0.254 428 I C 2.037 178.058 176.117 -0.161 0.000 1.156 428 I CA 1.339 62.588 61.300 -0.085 0.000 1.433 428 I CB -0.369 37.600 38.000 -0.052 0.000 1.082 428 I HN 0.399 nan 8.210 nan 0.000 0.432 429 A N -0.386 122.239 122.820 -0.325 0.000 2.084 429 A HA -0.176 4.145 4.320 0.001 0.000 0.221 429 A C 2.030 179.426 177.584 -0.314 0.000 1.161 429 A CA 1.563 53.326 52.037 -0.457 0.000 0.653 429 A CB -0.389 17.895 19.000 -1.193 0.000 0.802 429 A HN 0.318 nan 8.150 nan 0.000 0.457 430 V N 0.359 120.125 119.914 -0.247 0.000 3.070 430 V HA 0.014 4.135 4.120 0.001 0.000 0.345 430 V C 1.807 177.847 176.094 -0.090 0.000 1.403 430 V CA 0.607 62.822 62.300 -0.143 0.000 1.155 430 V CB -0.073 31.680 31.823 -0.116 0.000 1.140 430 V HN 0.879 nan 8.190 nan 0.000 0.505 431 Q N 0.540 120.301 119.800 -0.065 0.000 2.170 431 Q HA -0.128 4.213 4.340 0.001 0.000 0.203 431 Q C 1.946 177.936 176.000 -0.016 0.000 0.976 431 Q CA 1.996 57.786 55.803 -0.022 0.000 0.858 431 Q CB -0.404 28.324 28.738 -0.017 0.000 0.907 431 Q HN 0.542 nan 8.270 nan 0.000 0.433 432 A N 1.035 123.836 122.820 -0.031 0.000 2.015 432 A HA -0.061 4.260 4.320 0.001 0.000 0.219 432 A C 2.260 179.820 177.584 -0.039 0.000 1.163 432 A CA 1.336 53.356 52.037 -0.028 0.000 0.646 432 A CB -0.470 18.515 19.000 -0.024 0.000 0.806 432 A HN 0.269 nan 8.150 nan 0.000 0.448 433 V N -0.558 119.319 119.914 -0.063 0.000 2.591 433 V HA -0.121 4.000 4.120 0.001 0.000 0.249 433 V C 2.902 178.969 176.094 -0.044 0.000 1.053 433 V CA 1.588 63.839 62.300 -0.082 0.000 1.068 433 V CB -1.048 30.637 31.823 -0.229 0.000 0.689 433 V HN 0.567 nan 8.190 nan 0.000 0.462 434 A N 0.119 122.944 122.820 0.009 0.000 1.929 434 A HA -0.174 4.146 4.320 0.001 0.000 0.216 434 A C 2.308 179.919 177.584 0.046 0.000 1.176 434 A CA 1.827 53.934 52.037 0.117 0.000 0.628 434 A CB -0.377 18.749 19.000 0.211 0.000 0.816 434 A HN 0.497 nan 8.150 nan 0.000 0.444 435 K N -0.096 120.313 120.400 0.015 0.000 2.057 435 K HA -0.077 4.243 4.320 0.001 0.000 0.207 435 K C 2.062 178.624 176.600 -0.063 0.000 1.049 435 K CA 1.285 57.569 56.287 -0.005 0.000 0.931 435 K CB -0.313 32.183 32.500 -0.006 0.000 0.714 435 K HN 0.349 nan 8.250 nan 0.000 0.440 436 A N 0.227 122.996 122.820 -0.085 0.000 1.969 436 A HA -0.096 4.224 4.320 0.001 0.000 0.218 436 A C 2.120 179.574 177.584 -0.216 0.000 1.169 436 A CA 1.803 53.774 52.037 -0.110 0.000 0.635 436 A CB -0.506 18.452 19.000 -0.071 0.000 0.810 436 A HN 0.335 nan 8.150 nan 0.000 0.445 437 S N -0.051 115.435 115.700 -0.357 0.000 2.356 437 S HA -0.135 4.335 4.470 0.001 0.000 0.223 437 S C 1.801 176.037 174.600 -0.607 0.000 1.032 437 S CA 1.580 59.342 58.200 -0.731 0.000 1.005 437 S CB -0.472 61.858 63.200 -1.450 0.000 0.867 437 S HN 0.574 nan 8.310 nan 0.000 0.449 438 I N 1.609 121.974 120.570 -0.341 0.000 2.202 438 I HA -0.183 3.987 4.170 0.001 0.000 0.242 438 I C 2.004 178.046 176.117 -0.126 0.000 1.091 438 I CA 1.174 62.410 61.300 -0.106 0.000 1.368 438 I CB -0.445 37.589 38.000 0.058 0.000 1.058 438 I HN 0.160 nan 8.210 nan 0.000 0.410 439 D N 0.515 120.846 120.400 -0.116 0.000 2.144 439 D HA -0.177 4.464 4.640 0.001 0.000 0.200 439 D C 2.239 178.470 176.300 -0.115 0.000 0.978 439 D CA 1.231 55.179 54.000 -0.086 0.000 0.833 439 D CB -0.214 40.550 40.800 -0.060 0.000 0.961 439 D HN 0.454 nan 8.370 nan 0.000 0.470 440 Q N 0.027 119.724 119.800 -0.172 0.000 2.269 440 Q HA 0.036 4.377 4.340 0.001 0.000 0.201 440 Q C 2.186 178.014 176.000 -0.285 0.000 0.946 440 Q CA 0.482 56.180 55.803 -0.175 0.000 0.877 440 Q CB 0.225 28.871 28.738 -0.154 0.000 0.963 440 Q HN 0.072 nan 8.270 nan 0.000 0.472 441 S N 0.957 116.393 115.700 -0.441 0.000 2.368 441 S HA -0.151 4.320 4.470 0.001 0.000 0.225 441 S C 1.778 176.165 174.600 -0.354 0.000 1.030 441 S CA 1.155 58.912 58.200 -0.738 0.000 0.999 441 S CB -0.111 62.678 63.200 -0.685 0.000 0.844 441 S HN 0.338 nan 8.310 nan 0.000 0.459 442 R N 1.044 121.447 120.500 -0.163 0.000 2.066 442 R HA -0.024 4.316 4.340 0.001 0.000 0.232 442 R C 2.474 178.767 176.300 -0.012 0.000 1.131 442 R CA 1.234 57.312 56.100 -0.037 0.000 0.955 442 R CB -0.305 29.988 30.300 -0.013 0.000 0.851 442 R HN 0.477 nan 8.270 nan 0.000 0.432 443 E N 0.852 121.032 120.200 -0.034 0.000 2.118 443 E HA -0.189 4.162 4.350 0.001 0.000 0.195 443 E C 1.582 178.202 176.600 0.034 0.000 0.992 443 E CA 1.237 57.640 56.400 0.004 0.000 0.804 443 E CB 0.079 29.779 29.700 -0.001 0.000 0.741 443 E HN 0.297 nan 8.360 nan 0.000 0.458 444 M N 0.274 119.884 119.600 0.015 0.000 2.628 444 M HA 0.019 4.500 4.480 0.001 0.000 0.232 444 M C -0.287 176.123 176.300 0.184 0.000 1.128 444 M CA 0.293 55.650 55.300 0.095 0.000 1.040 444 M CB 0.476 33.145 32.600 0.115 0.000 1.608 444 M HN -0.153 nan 8.290 nan 0.000 0.507 445 K N -0.162 120.324 120.400 0.143 0.000 3.150 445 K HA -0.189 4.132 4.320 0.001 0.000 0.267 445 K C -1.185 175.577 176.600 0.269 0.000 1.028 445 K CA 0.663 57.046 56.287 0.160 0.000 0.753 445 K CB -2.634 29.930 32.500 0.107 0.000 1.288 445 K HN 0.295 nan 8.250 nan 0.000 0.473 446 Y N 1.190 121.543 120.300 0.089 0.000 2.702 446 Y HA -0.026 4.525 4.550 0.001 0.000 0.336 446 Y C 1.877 177.880 175.900 0.171 0.000 1.235 446 Y CA -0.016 58.189 58.100 0.175 0.000 1.492 446 Y CB 0.421 38.989 38.460 0.180 0.000 1.308 446 Y HN 0.183 nan 8.280 nan 0.000 0.589 447 Q N 0.858 120.825 119.800 0.278 0.000 2.500 447 Q HA 0.233 4.574 4.340 0.001 0.000 0.215 447 Q C 0.231 176.389 176.000 0.264 0.000 1.062 447 Q CA -0.341 55.528 55.803 0.110 0.000 0.996 447 Q CB 0.477 29.099 28.738 -0.193 0.000 1.239 447 Q HN 0.789 nan 8.270 nan 0.000 0.578 448 S N -0.223 115.563 115.700 0.144 0.000 2.614 448 S HA 0.048 4.519 4.470 0.001 0.000 0.265 448 S C 0.963 175.708 174.600 0.243 0.000 1.303 448 S CA -0.684 57.619 58.200 0.172 0.000 1.000 448 S CB 0.637 63.887 63.200 0.083 0.000 0.935 448 S HN 0.654 nan 8.310 nan 0.000 0.551 449 L N 1.576 122.912 121.223 0.188 0.000 2.011 449 L HA -0.232 4.109 4.340 0.001 0.000 0.225 449 L C 2.016 178.983 176.870 0.162 0.000 1.084 449 L CA 2.257 57.203 54.840 0.176 0.000 0.791 449 L CB -1.407 40.700 42.059 0.080 0.000 0.898 449 L HN 0.791 nan 8.230 nan 0.000 0.440 450 N N -0.517 118.230 118.700 0.078 0.000 2.223 450 N HA -0.148 4.593 4.740 0.001 0.000 0.185 450 N C 1.722 177.233 175.510 0.002 0.000 1.016 450 N CA 1.196 54.261 53.050 0.025 0.000 0.863 450 N CB -0.228 38.250 38.487 -0.015 0.000 0.983 450 N HN 0.501 nan 8.380 nan 0.000 0.429 451 E N -0.068 120.123 120.200 -0.015 0.000 2.077 451 E HA -0.135 4.216 4.350 0.001 0.000 0.193 451 E C 1.706 178.228 176.600 -0.130 0.000 0.989 451 E CA 0.859 57.189 56.400 -0.116 0.000 0.800 451 E CB -0.446 29.132 29.700 -0.204 0.000 0.746 451 E HN 0.503 nan 8.360 nan 0.000 0.452 452 Y N 0.987 121.308 120.300 0.036 0.000 2.293 452 Y HA -0.058 4.492 4.550 0.001 0.000 0.291 452 Y C 2.523 178.509 175.900 0.144 0.000 1.137 452 Y CA 0.953 59.118 58.100 0.109 0.000 1.202 452 Y CB -0.082 38.450 38.460 0.119 0.000 0.990 452 Y HN -0.033 nan 8.280 nan 0.000 0.537 453 R N 0.119 120.732 120.500 0.189 0.000 2.073 453 R HA -0.170 4.170 4.340 0.001 0.000 0.234 453 R C 2.091 178.421 176.300 0.050 0.000 1.134 453 R CA 1.713 57.867 56.100 0.090 0.000 0.952 453 R CB -0.213 30.072 30.300 -0.024 0.000 0.850 453 R HN 0.231 nan 8.270 nan 0.000 0.433 454 K N -0.005 120.390 120.400 -0.009 0.000 2.057 454 K HA -0.171 4.150 4.320 0.001 0.000 0.207 454 K C 2.053 178.609 176.600 -0.073 0.000 1.049 454 K CA 1.235 57.488 56.287 -0.057 0.000 0.931 454 K CB -0.124 32.317 32.500 -0.098 0.000 0.714 454 K HN -0.102 nan 8.250 nan 0.000 0.440 455 R N 0.678 121.130 120.500 -0.080 0.000 2.133 455 R HA -0.129 4.211 4.340 0.001 0.000 0.247 455 R C 0.647 176.714 176.300 -0.388 0.000 1.151 455 R CA 1.652 57.624 56.100 -0.213 0.000 0.971 455 R CB -0.460 29.735 30.300 -0.175 0.000 0.866 455 R HN 0.161 nan 8.270 nan 0.000 0.447 456 F N 0.437 120.343 119.950 -0.074 0.000 2.837 456 F HA 0.290 4.818 4.527 0.001 0.000 0.298 456 F C 0.433 176.182 175.800 -0.086 0.000 1.161 456 F CA 0.008 57.942 58.000 -0.109 0.000 1.353 456 F CB 0.218 39.147 39.000 -0.118 0.000 0.951 456 F HN -0.084 nan 8.300 nan 0.000 0.508 457 S N 0.442 116.151 115.700 0.015 0.000 3.587 457 S HA -0.210 4.260 4.470 0.001 0.000 0.337 457 S C 0.072 174.684 174.600 0.020 0.000 1.119 457 S CA 0.276 58.486 58.200 0.017 0.000 0.976 457 S CB -2.168 61.057 63.200 0.042 0.000 0.922 457 S HN 0.333 nan 8.310 nan 0.000 0.503 458 L N 0.522 121.749 121.223 0.007 0.000 2.360 458 L HA 0.464 4.804 4.340 0.001 0.000 0.271 458 L C 0.686 177.501 176.870 -0.091 0.000 1.057 458 L CA -0.758 54.055 54.840 -0.045 0.000 0.803 458 L CB 0.744 42.763 42.059 -0.067 0.000 1.207 458 L HN 0.058 nan 8.230 nan 0.000 0.445 459 K N 3.051 123.372 120.400 -0.132 0.000 2.379 459 K HA 0.226 4.547 4.320 0.001 0.000 0.284 459 K C -2.258 174.199 176.600 -0.238 0.000 1.044 459 K CA -1.509 54.689 56.287 -0.149 0.000 0.974 459 K CB 0.802 33.223 32.500 -0.131 0.000 0.962 459 K HN 0.215 nan 8.250 nan 0.000 0.474 460 P HA -0.077 nan 4.420 nan 0.000 0.267 460 P C -0.897 176.279 177.300 -0.206 0.000 1.200 460 P CA 0.337 63.329 63.100 -0.180 0.000 0.772 460 P CB 0.221 31.863 31.700 -0.097 0.000 0.855 461 Y N 0.322 120.569 120.300 -0.088 0.000 2.411 461 Y HA 0.078 4.628 4.550 0.001 0.000 0.333 461 Y C 2.201 178.023 175.900 -0.131 0.000 1.186 461 Y CA 0.495 58.528 58.100 -0.112 0.000 1.381 461 Y CB 0.405 38.773 38.460 -0.154 0.000 1.273 461 Y HN 0.402 nan 8.280 nan 0.000 0.546 462 T N -2.772 111.825 114.554 0.071 0.000 3.040 462 T HA 0.233 4.584 4.350 0.001 0.000 0.250 462 T C 0.200 174.881 174.700 -0.033 0.000 1.058 462 T CA 0.365 62.465 62.100 -0.000 0.000 0.988 462 T CB -0.115 68.758 68.868 0.010 0.000 0.993 462 T HN 0.549 nan 8.240 nan 0.000 0.519 463 S N -1.103 114.560 115.700 -0.063 0.000 2.643 463 S HA 0.590 5.060 4.470 0.001 0.000 0.270 463 S C -0.288 174.182 174.600 -0.217 0.000 1.166 463 S CA -0.909 57.235 58.200 -0.093 0.000 0.815 463 S CB 0.192 63.406 63.200 0.024 0.000 1.139 463 S HN -0.064 nan 8.310 nan 0.000 0.472 464 F N 1.101 121.018 119.950 -0.054 0.000 2.293 464 F HA 0.190 4.718 4.527 0.001 0.000 0.297 464 F C 2.524 178.248 175.800 -0.127 0.000 1.089 464 F CA 1.021 58.957 58.000 -0.106 0.000 1.377 464 F CB -0.230 38.732 39.000 -0.064 0.000 1.051 464 F HN 0.669 nan 8.300 nan 0.000 0.511 465 E N 0.209 120.461 120.200 0.087 0.000 2.110 465 E HA -0.251 4.100 4.350 0.001 0.000 0.193 465 E C 2.036 178.610 176.600 -0.044 0.000 0.988 465 E CA 1.250 57.661 56.400 0.019 0.000 0.804 465 E CB -0.264 29.455 29.700 0.032 0.000 0.745 465 E HN 0.518 nan 8.360 nan 0.000 0.458 466 E N 0.704 120.870 120.200 -0.058 0.000 2.051 466 E HA -0.206 4.144 4.350 0.001 0.000 0.192 466 E C 2.194 178.607 176.600 -0.312 0.000 0.991 466 E CA 0.593 56.962 56.400 -0.052 0.000 0.799 466 E CB 0.017 29.779 29.700 0.103 0.000 0.748 466 E HN 0.069 nan 8.360 nan 0.000 0.449 467 L N 0.869 121.690 121.223 -0.670 0.000 1.971 467 L HA -0.200 4.141 4.340 0.001 0.000 0.215 467 L C 2.556 179.157 176.870 -0.449 0.000 1.072 467 L CA 2.903 57.124 54.840 -1.032 0.000 0.758 467 L CB -1.174 40.431 42.059 -0.757 0.000 0.889 467 L HN 0.304 nan 8.230 nan 0.000 0.433 468 T N -3.957 110.461 114.554 -0.227 0.000 3.035 468 T HA 0.239 4.589 4.350 0.001 0.000 0.259 468 T C 1.559 176.208 174.700 -0.086 0.000 1.078 468 T CA 0.584 62.611 62.100 -0.122 0.000 1.132 468 T CB -0.440 68.393 68.868 -0.059 0.000 0.900 468 T HN 0.821 nan 8.240 nan 0.000 0.480 469 G N 1.795 110.552 108.800 -0.073 0.000 2.153 469 G HA2 -0.158 3.803 3.960 0.001 0.000 0.252 469 G HA3 -0.158 3.803 3.960 0.001 0.000 0.252 469 G C -0.165 174.719 174.900 -0.027 0.000 0.994 469 G CA 0.684 45.760 45.100 -0.040 0.000 0.698 469 G HN 1.028 nan 8.290 nan 0.000 0.521 470 E N -2.368 117.816 120.200 -0.026 0.000 2.421 470 E HA 0.781 5.132 4.350 0.001 0.000 0.265 470 E C 0.653 177.247 176.600 -0.010 0.000 0.990 470 E CA -0.787 55.602 56.400 -0.018 0.000 0.874 470 E CB 0.130 29.816 29.700 -0.024 0.000 1.646 470 E HN 0.028 nan 8.360 nan 0.000 0.451 471 K N -0.503 119.892 120.400 -0.009 0.000 2.399 471 K HA 0.156 4.476 4.320 0.001 0.000 0.196 471 K C 1.518 178.112 176.600 -0.010 0.000 1.117 471 K CA 0.396 56.681 56.287 -0.004 0.000 0.965 471 K CB 0.548 33.047 32.500 -0.003 0.000 0.983 471 K HN 0.569 nan 8.250 nan 0.000 0.531 472 E N 1.803 121.994 120.200 -0.015 0.000 2.016 472 E HA -0.057 4.293 4.350 0.001 0.000 0.190 472 E C 2.049 178.633 176.600 -0.026 0.000 0.985 472 E CA 0.881 57.269 56.400 -0.020 0.000 0.802 472 E CB 0.110 29.799 29.700 -0.019 0.000 0.762 472 E HN 0.095 nan 8.360 nan 0.000 0.448 473 M N 0.556 120.141 119.600 -0.024 0.000 2.117 473 M HA -0.152 4.328 4.480 0.001 0.000 0.262 473 M C 2.486 178.767 176.300 -0.033 0.000 1.065 473 M CA 1.462 56.746 55.300 -0.027 0.000 1.114 473 M CB -0.290 32.297 32.600 -0.023 0.000 1.361 473 M HN 0.259 nan 8.290 nan 0.000 0.408 474 A N 0.643 123.455 122.820 -0.013 0.000 1.892 474 A HA -0.180 4.141 4.320 0.001 0.000 0.218 474 A C 2.377 179.918 177.584 -0.073 0.000 1.188 474 A CA 2.305 54.350 52.037 0.013 0.000 0.631 474 A CB -1.048 17.985 19.000 0.056 0.000 0.822 474 A HN 0.529 nan 8.150 nan 0.000 0.447 475 A N -0.704 122.080 122.820 -0.059 0.000 1.902 475 A HA -0.132 4.189 4.320 0.001 0.000 0.217 475 A C 1.934 179.446 177.584 -0.120 0.000 1.181 475 A CA 1.676 53.666 52.037 -0.079 0.000 0.623 475 A CB -0.446 18.529 19.000 -0.043 0.000 0.818 475 A HN 0.477 nan 8.150 nan 0.000 0.443 476 E N 0.220 120.360 120.200 -0.099 0.000 2.085 476 E HA -0.173 4.178 4.350 0.001 0.000 0.194 476 E C 2.054 178.565 176.600 -0.148 0.000 0.994 476 E CA 1.086 57.428 56.400 -0.097 0.000 0.801 476 E CB -0.524 29.141 29.700 -0.058 0.000 0.743 476 E HN 0.683 nan 8.360 nan 0.000 0.453 477 L N 0.714 121.811 121.223 -0.210 0.000 2.056 477 L HA -0.165 4.176 4.340 0.001 0.000 0.207 477 L C 2.697 179.148 176.870 -0.699 0.000 1.078 477 L CA 1.281 55.930 54.840 -0.318 0.000 0.749 477 L CB -0.393 41.482 42.059 -0.306 0.000 0.901 477 L HN 0.088 nan 8.230 nan 0.000 0.433 478 K N 0.532 120.384 120.400 -0.913 0.000 2.063 478 K HA -0.214 4.106 4.320 0.001 0.000 0.208 478 K C 2.112 178.548 176.600 -0.274 0.000 1.048 478 K CA 1.488 57.358 56.287 -0.696 0.000 0.928 478 K CB -0.147 32.156 32.500 -0.329 0.000 0.713 478 K HN 0.261 nan 8.250 nan 0.000 0.442 479 A N 0.911 123.613 122.820 -0.197 0.000 1.978 479 A HA -0.111 4.210 4.320 0.001 0.000 0.220 479 A C 2.040 179.556 177.584 -0.113 0.000 1.170 479 A CA 1.327 53.295 52.037 -0.115 0.000 0.636 479 A CB -0.423 18.523 19.000 -0.091 0.000 0.810 479 A HN 0.333 nan 8.150 nan 0.000 0.448 480 L N -3.073 118.063 121.223 -0.144 0.000 2.084 480 L HA -0.034 4.306 4.340 0.001 0.000 0.202 480 L C 2.362 179.100 176.870 -0.221 0.000 1.074 480 L CA 1.088 55.812 54.840 -0.194 0.000 0.757 480 L CB -0.452 41.466 42.059 -0.235 0.000 0.918 480 L HN 0.427 nan 8.230 nan 0.000 0.444 481 Y N -0.633 119.610 120.300 -0.095 0.000 2.503 481 Y HA -0.037 4.514 4.550 0.001 0.000 0.278 481 Y C 2.033 177.981 175.900 0.081 0.000 1.111 481 Y CA 0.535 58.658 58.100 0.039 0.000 1.270 481 Y CB 0.317 38.891 38.460 0.191 0.000 1.063 481 Y HN 0.157 nan 8.280 nan 0.000 0.548 482 S N -1.096 114.692 115.700 0.146 0.000 1.794 482 S HA -0.302 4.169 4.470 0.001 0.000 0.226 482 S C 0.064 174.832 174.600 0.280 0.000 0.924 482 S CA 1.818 60.106 58.200 0.146 0.000 1.546 482 S CB -1.198 62.062 63.200 0.100 0.000 2.033 482 S HN 0.544 nan 8.310 nan 0.000 0.543 483 D N 0.128 120.738 120.400 0.349 0.000 2.375 483 D HA 0.595 5.236 4.640 0.001 0.000 0.247 483 D C 0.609 177.065 176.300 0.261 0.000 1.061 483 D CA -0.570 53.599 54.000 0.282 0.000 0.834 483 D CB 1.323 42.218 40.800 0.158 0.000 1.247 483 D HN 0.072 nan 8.370 nan 0.000 0.489 484 I N 2.893 123.429 120.570 -0.056 0.000 2.335 484 I HA -0.201 3.970 4.170 0.001 0.000 0.251 484 I C 1.201 177.175 176.117 -0.239 0.000 1.129 484 I CA 1.519 62.467 61.300 -0.587 0.000 1.402 484 I CB -0.014 37.597 38.000 -0.649 0.000 1.069 484 I HN 0.405 nan 8.210 nan 0.000 0.424 485 D N -0.258 120.094 120.400 -0.080 0.000 2.350 485 D HA -0.059 4.582 4.640 0.001 0.000 0.216 485 D C 1.985 178.295 176.300 0.017 0.000 0.968 485 D CA 0.949 54.931 54.000 -0.029 0.000 0.894 485 D CB 0.149 40.944 40.800 -0.009 0.000 0.909 485 D HN 0.320 nan 8.370 nan 0.000 0.520 486 V N 0.449 120.403 119.914 0.068 0.000 3.621 486 V HA 0.077 4.197 4.120 0.001 0.000 0.285 486 V C 0.766 176.936 176.094 0.125 0.000 1.346 486 V CA -0.206 62.184 62.300 0.150 0.000 1.104 486 V CB -0.128 31.843 31.823 0.246 0.000 0.913 486 V HN 0.074 nan 8.190 nan 0.000 0.432 487 M N 1.473 121.026 119.600 -0.079 0.000 2.249 487 M HA 0.172 4.653 4.480 0.001 0.000 0.340 487 M C 0.199 176.409 176.300 -0.150 0.000 1.166 487 M CA 0.451 55.523 55.300 -0.379 0.000 1.115 487 M CB -0.065 32.338 32.600 -0.328 0.000 1.606 487 M HN 0.285 nan 8.290 nan 0.000 0.448 488 E N 2.874 122.979 120.200 -0.159 0.000 2.248 488 E HA 0.160 4.511 4.350 0.001 0.000 0.272 488 E C 0.442 177.084 176.600 0.070 0.000 1.008 488 E CA -0.660 55.782 56.400 0.070 0.000 0.856 488 E CB 1.229 31.033 29.700 0.173 0.000 1.120 488 E HN 0.745 nan 8.360 nan 0.000 0.397 489 L N 2.821 124.132 121.223 0.147 0.000 1.976 489 L HA -0.228 4.112 4.340 0.001 0.000 0.209 489 L C 2.110 179.032 176.870 0.087 0.000 1.071 489 L CA 1.925 56.832 54.840 0.111 0.000 0.746 489 L CB -0.728 41.384 42.059 0.088 0.000 0.890 489 L HN 0.728 nan 8.230 nan 0.000 0.432 490 Y N 1.045 121.347 120.300 0.003 0.000 2.097 490 Y HA -0.159 4.391 4.550 0.001 0.000 0.282 490 Y C -0.596 175.310 175.900 0.010 0.000 1.152 490 Y CA 2.098 60.187 58.100 -0.019 0.000 1.136 490 Y CB -1.915 36.495 38.460 -0.083 0.000 0.975 490 Y HN 0.258 nan 8.280 nan 0.000 0.498 491 P HA -0.139 nan 4.420 nan 0.000 0.218 491 P C 1.446 178.642 177.300 -0.174 0.000 1.149 491 P CA 2.320 65.283 63.100 -0.227 0.000 0.817 491 P CB -0.371 31.335 31.700 0.011 0.000 0.785 492 A N -0.241 122.514 122.820 -0.109 0.000 1.902 492 A HA -0.172 4.148 4.320 0.001 0.000 0.217 492 A C 2.205 179.732 177.584 -0.094 0.000 1.181 492 A CA 1.461 53.445 52.037 -0.089 0.000 0.623 492 A CB -1.695 17.277 19.000 -0.046 0.000 0.818 492 A HN 0.123 nan 8.150 nan 0.000 0.443 493 L N -0.744 120.416 121.223 -0.105 0.000 2.079 493 L HA -0.165 4.176 4.340 0.001 0.000 0.210 493 L C 2.248 179.055 176.870 -0.106 0.000 1.081 493 L CA 0.995 55.779 54.840 -0.092 0.000 0.752 493 L CB -0.416 41.600 42.059 -0.071 0.000 0.896 493 L HN 0.366 nan 8.230 nan 0.000 0.433 494 L N -1.654 119.466 121.223 -0.171 0.000 2.509 494 L HA -0.016 4.325 4.340 0.001 0.000 0.222 494 L C 1.847 178.659 176.870 -0.096 0.000 1.123 494 L CA 0.092 54.851 54.840 -0.135 0.000 0.856 494 L CB 0.236 42.167 42.059 -0.213 0.000 0.985 494 L HN 0.058 nan 8.230 nan 0.000 0.456 495 V N -1.130 118.724 119.914 -0.099 0.000 3.645 495 V HA 0.041 4.162 4.120 0.001 0.000 0.275 495 V C 1.071 177.114 176.094 -0.085 0.000 1.356 495 V CA -0.047 62.205 62.300 -0.079 0.000 1.051 495 V CB 0.566 32.350 31.823 -0.066 0.000 0.828 495 V HN 0.297 nan 8.190 nan 0.000 0.441 496 E N 1.896 122.042 120.200 -0.090 0.000 2.437 496 E HA -0.054 4.297 4.350 0.001 0.000 0.263 496 E C 0.395 176.948 176.600 -0.078 0.000 1.030 496 E CA -0.109 56.232 56.400 -0.099 0.000 0.934 496 E CB 0.410 30.081 29.700 -0.049 0.000 0.943 496 E HN 0.266 nan 8.360 nan 0.000 0.444 497 K N 4.932 125.280 120.400 -0.086 0.000 2.472 497 K HA 0.054 4.375 4.320 0.001 0.000 0.280 497 K C -2.265 174.307 176.600 -0.046 0.000 1.028 497 K CA -1.186 55.066 56.287 -0.059 0.000 1.045 497 K CB 0.335 32.807 32.500 -0.047 0.000 0.902 497 K HN 0.251 nan 8.250 nan 0.000 0.478 498 P HA 0.153 nan 4.420 nan 0.000 0.274 498 P C -0.794 176.458 177.300 -0.080 0.000 1.237 498 P CA -0.482 62.575 63.100 -0.071 0.000 0.793 498 P CB 0.576 32.219 31.700 -0.095 0.000 0.977 499 R N 2.124 122.549 120.500 -0.126 0.000 2.784 499 R HA 0.188 4.528 4.340 0.001 0.000 0.266 499 R C -1.970 174.283 176.300 -0.078 0.000 1.044 499 R CA -1.405 54.595 56.100 -0.168 0.000 1.151 499 R CB -1.635 28.398 30.300 -0.444 0.000 1.037 499 R HN 0.391 nan 8.270 nan 0.000 0.478 500 P HA -0.080 nan 4.420 nan 0.000 0.260 500 P C -0.828 176.460 177.300 -0.020 0.000 1.185 500 P CA 0.686 63.794 63.100 0.012 0.000 0.763 500 P CB 0.255 32.001 31.700 0.077 0.000 0.776 501 D N -0.048 120.320 120.400 -0.054 0.000 2.860 501 D HA -0.221 4.419 4.640 0.001 0.000 0.229 501 D C 0.234 176.458 176.300 -0.125 0.000 1.169 501 D CA 1.426 55.374 54.000 -0.087 0.000 0.737 501 D CB -1.107 39.648 40.800 -0.076 0.000 1.080 501 D HN 0.474 nan 8.370 nan 0.000 0.424 502 A N -0.198 122.540 122.820 -0.137 0.000 2.322 502 A HA 0.677 4.997 4.320 0.001 0.000 0.327 502 A C 1.175 178.587 177.584 -0.286 0.000 1.134 502 A CA -0.555 51.361 52.037 -0.201 0.000 0.831 502 A CB 1.333 20.251 19.000 -0.137 0.000 1.288 502 A HN 0.112 nan 8.150 nan 0.000 0.472 503 I N -0.821 119.470 120.570 -0.465 0.000 2.617 503 I HA 0.088 4.259 4.170 0.001 0.000 0.256 503 I C -0.621 175.138 176.117 -0.596 0.000 1.167 503 I CA 0.853 61.758 61.300 -0.658 0.000 1.469 503 I CB -0.081 37.287 38.000 -1.054 0.000 1.098 503 I HN 0.486 nan 8.210 nan 0.000 0.436 504 F N -0.507 119.276 119.950 -0.277 0.000 2.611 504 F HA 0.603 5.130 4.527 0.001 0.000 0.324 504 F C 0.789 176.475 175.800 -0.190 0.000 1.061 504 F CA -1.178 56.672 58.000 -0.250 0.000 0.954 504 F CB 0.610 39.452 39.000 -0.264 0.000 1.301 504 F HN -0.256 nan 8.300 nan 0.000 0.482 505 G N -0.316 108.529 108.800 0.076 0.000 2.557 505 G HA2 0.256 4.217 3.960 0.001 0.000 0.292 505 G HA3 0.256 4.217 3.960 0.001 0.000 0.292 505 G C 0.667 175.565 174.900 -0.003 0.000 1.237 505 G CA -0.286 44.817 45.100 0.006 0.000 0.978 505 G HN 0.764 nan 8.290 nan 0.000 0.498 506 E N -1.051 119.151 120.200 0.002 0.000 2.049 506 E HA -0.191 4.160 4.350 0.001 0.000 0.198 506 E C 2.336 178.924 176.600 -0.019 0.000 1.007 506 E CA 1.991 58.388 56.400 -0.005 0.000 0.809 506 E CB -0.272 29.438 29.700 0.016 0.000 0.749 506 E HN 0.457 nan 8.360 nan 0.000 0.450 507 T N 0.919 115.471 114.554 -0.003 0.000 2.746 507 T HA -0.218 4.132 4.350 0.001 0.000 0.267 507 T C 1.745 176.381 174.700 -0.106 0.000 1.039 507 T CA 1.622 63.700 62.100 -0.036 0.000 1.142 507 T CB -0.294 68.585 68.868 0.018 0.000 0.866 507 T HN 0.184 nan 8.240 nan 0.000 0.444 508 M N 1.331 120.852 119.600 -0.132 0.000 2.080 508 M HA -0.085 4.395 4.480 0.001 0.000 0.260 508 M C 2.136 178.301 176.300 -0.225 0.000 1.068 508 M CA 1.502 56.650 55.300 -0.253 0.000 1.109 508 M CB -0.688 31.598 32.600 -0.525 0.000 1.342 508 M HN 0.084 nan 8.290 nan 0.000 0.405 509 V N 0.168 119.998 119.914 -0.140 0.000 2.358 509 V HA -0.211 3.910 4.120 0.001 0.000 0.246 509 V C 2.381 178.433 176.094 -0.070 0.000 1.047 509 V CA 1.854 64.122 62.300 -0.053 0.000 1.035 509 V CB -0.953 30.891 31.823 0.035 0.000 0.658 509 V HN 0.440 nan 8.190 nan 0.000 0.452 510 E N 0.062 120.204 120.200 -0.096 0.000 2.216 510 E HA -0.020 4.331 4.350 0.001 0.000 0.192 510 E C 2.150 178.550 176.600 -0.333 0.000 0.988 510 E CA 0.841 57.171 56.400 -0.117 0.000 0.834 510 E CB -0.038 29.631 29.700 -0.051 0.000 0.772 510 E HN 0.529 nan 8.360 nan 0.000 0.479 511 L N -0.618 120.298 121.223 -0.512 0.000 2.249 511 L HA 0.121 4.462 4.340 0.001 0.000 0.207 511 L C 2.394 178.928 176.870 -0.561 0.000 1.090 511 L CA 0.973 55.201 54.840 -1.019 0.000 0.802 511 L CB -0.700 40.874 42.059 -0.809 0.000 0.947 511 L HN 0.104 nan 8.230 nan 0.000 0.453 512 G N 0.267 108.961 108.800 -0.177 0.000 2.394 512 G HA2 -0.165 3.796 3.960 0.001 0.000 0.215 512 G HA3 -0.165 3.796 3.960 0.001 0.000 0.215 512 G C 1.808 176.740 174.900 0.053 0.000 1.165 512 G CA 0.801 45.958 45.100 0.095 0.000 0.784 512 G HN 0.398 nan 8.290 nan 0.000 0.535 513 A N 1.522 124.330 122.820 -0.020 0.000 1.902 513 A HA 0.085 4.406 4.320 0.001 0.000 0.217 513 A C 0.720 178.283 177.584 -0.036 0.000 1.181 513 A CA 1.900 53.951 52.037 0.024 0.000 0.623 513 A CB -1.050 17.971 19.000 0.034 0.000 0.818 513 A HN 0.377 nan 8.150 nan 0.000 0.443 514 P HA -0.101 nan 4.420 nan 0.000 0.214 514 P C 1.241 178.421 177.300 -0.200 0.000 1.162 514 P CA 0.995 63.985 63.100 -0.182 0.000 0.879 514 P CB -0.236 31.326 31.700 -0.230 0.000 0.786 515 F N -0.381 119.401 119.950 -0.279 0.000 2.091 515 F HA -0.228 4.300 4.527 0.001 0.000 0.299 515 F C 2.764 178.177 175.800 -0.644 0.000 1.103 515 F CA 1.485 59.099 58.000 -0.644 0.000 1.228 515 F CB -1.046 37.125 39.000 -1.382 0.000 0.984 515 F HN -0.034 nan 8.300 nan 0.000 0.477 516 S N 0.630 116.201 115.700 -0.215 0.000 2.348 516 S HA -0.159 4.311 4.470 0.001 0.000 0.221 516 S C 1.995 176.675 174.600 0.133 0.000 1.033 516 S CA 1.220 59.497 58.200 0.128 0.000 1.010 516 S CB -0.526 62.914 63.200 0.401 0.000 0.891 516 S HN 0.287 nan 8.310 nan 0.000 0.442 517 L N 0.938 122.229 121.223 0.113 0.000 2.093 517 L HA -0.026 4.315 4.340 0.001 0.000 0.208 517 L C 2.878 179.841 176.870 0.154 0.000 1.085 517 L CA 1.036 55.955 54.840 0.132 0.000 0.755 517 L CB -0.415 41.713 42.059 0.115 0.000 0.904 517 L HN 0.209 nan 8.230 nan 0.000 0.435 518 K N 0.507 120.981 120.400 0.122 0.000 2.057 518 K HA -0.103 4.217 4.320 0.001 0.000 0.207 518 K C 2.024 178.700 176.600 0.127 0.000 1.049 518 K CA 1.514 57.894 56.287 0.155 0.000 0.931 518 K CB -0.708 31.816 32.500 0.039 0.000 0.714 518 K HN 0.355 nan 8.250 nan 0.000 0.440 519 G N 0.620 109.442 108.800 0.037 0.000 2.422 519 G HA2 -0.172 3.789 3.960 0.001 0.000 0.218 519 G HA3 -0.172 3.789 3.960 0.001 0.000 0.218 519 G C 1.437 176.376 174.900 0.066 0.000 1.140 519 G CA 0.293 45.381 45.100 -0.019 0.000 0.775 519 G HN 0.137 nan 8.290 nan 0.000 0.545 520 L N 0.257 121.555 121.223 0.125 0.000 2.049 520 L HA 0.199 4.540 4.340 0.001 0.000 0.203 520 L C 2.755 179.724 176.870 0.164 0.000 1.074 520 L CA 1.126 56.047 54.840 0.134 0.000 0.749 520 L CB -0.705 41.425 42.059 0.118 0.000 0.907 520 L HN 0.142 nan 8.230 nan 0.000 0.439 521 M N -1.066 118.661 119.600 0.210 0.000 2.506 521 M HA 0.134 4.614 4.480 0.001 0.000 0.260 521 M C 2.062 178.662 176.300 0.501 0.000 1.104 521 M CA 0.782 56.226 55.300 0.240 0.000 1.112 521 M CB -1.618 30.962 32.600 -0.033 0.000 1.401 521 M HN 0.270 nan 8.290 nan 0.000 0.473 522 G N 0.780 109.868 108.800 0.481 0.000 2.509 522 G HA2 -0.152 3.809 3.960 0.001 0.000 0.218 522 G HA3 -0.152 3.809 3.960 0.001 0.000 0.218 522 G C 0.891 176.007 174.900 0.360 0.000 1.124 522 G CA -0.042 45.307 45.100 0.415 0.000 0.776 522 G HN 0.435 nan 8.290 nan 0.000 0.547 523 N N 1.041 119.915 118.700 0.290 0.000 2.407 523 N HA 0.025 4.765 4.740 0.001 0.000 0.250 523 N C -1.033 174.568 175.510 0.152 0.000 1.236 523 N CA -1.046 52.118 53.050 0.191 0.000 0.879 523 N CB 1.873 40.469 38.487 0.182 0.000 1.088 523 N HN -0.034 nan 8.380 nan 0.000 0.450 524 P HA -0.127 nan 4.420 nan 0.000 0.220 524 P C 1.514 178.590 177.300 -0.375 0.000 1.148 524 P CA 1.108 64.037 63.100 -0.284 0.000 0.803 524 P CB -0.137 31.241 31.700 -0.536 0.000 0.782 525 I N -2.917 117.616 120.570 -0.061 0.000 2.700 525 I HA -0.126 4.045 4.170 0.001 0.000 0.261 525 I C 1.558 177.981 176.117 0.509 0.000 1.219 525 I CA 1.339 62.847 61.300 0.346 0.000 1.463 525 I CB -1.179 37.190 38.000 0.615 0.000 1.092 525 I HN -0.160 nan 8.210 nan 0.000 0.452 526 C N 1.502 120.974 119.300 0.287 0.000 2.618 526 C HA 0.170 4.631 4.460 0.001 0.000 0.264 526 C C 1.785 176.800 174.990 0.041 0.000 1.334 526 C CA 0.225 59.367 59.018 0.207 0.000 1.731 526 C CB -1.832 26.072 27.740 0.274 0.000 1.852 526 C HN 0.711 nan 8.230 nan 0.000 0.566 527 S N 2.301 117.842 115.700 -0.266 0.000 2.585 527 S HA 0.192 4.663 4.470 0.001 0.000 0.273 527 S C -1.316 173.195 174.600 -0.147 0.000 1.339 527 S CA -0.633 57.164 58.200 -0.671 0.000 1.028 527 S CB 0.721 63.566 63.200 -0.593 0.000 0.906 527 S HN 0.176 nan 8.310 nan 0.000 0.528 528 P HA -0.108 nan 4.420 nan 0.000 0.221 528 P C 1.116 178.328 177.300 -0.146 0.000 1.145 528 P CA 1.071 63.830 63.100 -0.569 0.000 0.795 528 P CB 0.061 31.237 31.700 -0.873 0.000 0.775 529 Q N -1.766 118.009 119.800 -0.041 0.000 2.331 529 Q HA -0.040 4.300 4.340 0.001 0.000 0.203 529 Q C 1.904 177.889 176.000 -0.025 0.000 0.944 529 Q CA 1.048 56.840 55.803 -0.020 0.000 0.892 529 Q CB -0.335 28.397 28.738 -0.009 0.000 0.983 529 Q HN 0.463 nan 8.270 nan 0.000 0.482 530 Y N -1.833 118.459 120.300 -0.012 0.000 2.436 530 Y HA -0.010 4.540 4.550 0.001 0.000 0.288 530 Y C 1.134 177.092 175.900 0.097 0.000 1.112 530 Y CA -0.116 57.987 58.100 0.005 0.000 1.220 530 Y CB 0.421 38.933 38.460 0.086 0.000 1.073 530 Y HN 0.161 nan 8.280 nan 0.000 0.552 531 W N 4.827 126.265 121.300 0.230 0.000 1.864 531 W HA 0.256 4.917 4.660 0.001 0.000 0.425 531 W C -0.850 175.777 176.519 0.181 0.000 0.791 531 W CA -0.035 57.538 57.345 0.381 0.000 1.650 531 W CB -0.425 29.347 29.460 0.520 0.000 1.791 531 W HN 0.075 nan 8.180 nan 0.000 0.266 532 K N 2.716 122.917 120.400 -0.332 0.000 2.579 532 K HA 0.412 4.732 4.320 0.001 0.000 0.284 532 K C -2.635 173.456 176.600 -0.849 0.000 0.990 532 K CA -1.566 54.358 56.287 -0.605 0.000 0.880 532 K CB 1.453 33.789 32.500 -0.273 0.000 1.488 532 K HN -0.295 nan 8.250 nan 0.000 0.425 533 P HA -0.235 nan 4.420 nan 0.000 0.216 533 P C 1.196 178.363 177.300 -0.221 0.000 1.150 533 P CA 1.850 64.597 63.100 -0.588 0.000 0.837 533 P CB 0.033 31.552 31.700 -0.301 0.000 0.786 534 S N -1.894 113.678 115.700 -0.213 0.000 2.419 534 S HA -0.130 4.341 4.470 0.001 0.000 0.233 534 S C 1.839 176.337 174.600 -0.169 0.000 1.016 534 S CA 1.708 59.841 58.200 -0.112 0.000 0.974 534 S CB -1.972 61.163 63.200 -0.108 0.000 0.786 534 S HN 0.121 nan 8.310 nan 0.000 0.492 535 T N 1.574 115.892 114.554 -0.394 0.000 2.803 535 T HA -0.002 4.348 4.350 0.001 0.000 0.269 535 T C 0.527 174.889 174.700 -0.562 0.000 1.052 535 T CA 1.256 62.974 62.100 -0.636 0.000 1.136 535 T CB -0.481 67.725 68.868 -1.104 0.000 0.864 535 T HN 0.638 nan 8.240 nan 0.000 0.467 536 F N 0.000 119.977 119.950 0.045 0.000 2.791 536 F HA 0.507 5.035 4.527 0.001 0.000 0.308 536 F C 1.532 177.454 175.800 0.204 0.000 1.138 536 F CA -0.519 57.566 58.000 0.142 0.000 1.294 536 F CB 0.253 39.353 39.000 0.167 0.000 0.975 536 F HN 0.177 nan 8.300 nan 0.000 0.512 537 G N 0.175 109.193 108.800 0.363 0.000 2.143 537 G HA2 0.127 4.088 3.960 0.001 0.000 0.249 537 G HA3 0.127 4.088 3.960 0.001 0.000 0.249 537 G C 0.556 175.651 174.900 0.325 0.000 0.981 537 G CA -0.032 45.340 45.100 0.454 0.000 0.665 537 G HN 1.252 nan 8.290 nan 0.000 0.528 538 G N -1.398 107.525 108.800 0.204 0.000 2.422 538 G HA2 0.243 4.204 3.960 0.001 0.000 0.607 538 G HA3 0.243 4.204 3.960 0.001 0.000 0.607 538 G C 0.363 175.335 174.900 0.121 0.000 1.270 538 G CA 0.521 45.688 45.100 0.113 0.000 0.992 538 G HN 0.487 nan 8.290 nan 0.000 0.499 539 E N -0.585 119.669 120.200 0.090 0.000 2.153 539 E HA -0.090 4.260 4.350 0.001 0.000 0.194 539 E C 2.850 179.528 176.600 0.129 0.000 0.988 539 E CA 1.518 58.003 56.400 0.141 0.000 0.811 539 E CB -0.267 29.489 29.700 0.093 0.000 0.746 539 E HN 0.426 nan 8.360 nan 0.000 0.466 540 V N 0.954 120.907 119.914 0.065 0.000 2.295 540 V HA -0.207 3.914 4.120 0.001 0.000 0.246 540 V C 2.446 178.589 176.094 0.081 0.000 1.049 540 V CA 2.078 64.401 62.300 0.039 0.000 1.024 540 V CB -1.091 30.718 31.823 -0.024 0.000 0.648 540 V HN 0.333 nan 8.190 nan 0.000 0.447 541 G N -1.205 107.674 108.800 0.133 0.000 2.422 541 G HA2 -0.277 3.683 3.960 0.001 0.000 0.218 541 G HA3 -0.277 3.683 3.960 0.001 0.000 0.218 541 G C 1.532 176.555 174.900 0.205 0.000 1.146 541 G CA 0.759 45.975 45.100 0.192 0.000 0.769 541 G HN 0.435 nan 8.290 nan 0.000 0.547 542 F N 1.420 121.382 119.950 0.020 0.000 2.186 542 F HA 0.131 4.658 4.527 0.002 0.000 0.299 542 F C 2.459 178.192 175.800 -0.112 0.000 1.090 542 F CA 1.249 59.181 58.000 -0.114 0.000 1.307 542 F CB -0.179 38.777 39.000 -0.073 0.000 1.019 542 F HN 0.120 nan 8.300 nan 0.000 0.489 543 K N 0.437 120.847 120.400 0.017 0.000 2.097 543 K HA -0.160 4.160 4.320 0.001 0.000 0.206 543 K C 2.181 178.751 176.600 -0.050 0.000 1.049 543 K CA 1.615 57.866 56.287 -0.061 0.000 0.933 543 K CB -0.284 32.214 32.500 -0.003 0.000 0.717 543 K HN 0.318 nan 8.250 nan 0.000 0.442 544 I N 0.949 121.515 120.570 -0.006 0.000 2.226 544 I HA -0.308 3.862 4.170 0.001 0.000 0.245 544 I C 2.185 178.313 176.117 0.019 0.000 1.100 544 I CA 1.185 62.495 61.300 0.016 0.000 1.374 544 I CB -0.220 37.810 38.000 0.050 0.000 1.057 544 I HN 0.183 nan 8.210 nan 0.000 0.413 545 I N 0.739 121.297 120.570 -0.020 0.000 2.142 545 I HA -0.297 3.874 4.170 0.001 0.000 0.240 545 I C 2.042 178.192 176.117 0.055 0.000 1.078 545 I CA 1.408 62.727 61.300 0.031 0.000 1.343 545 I CB -0.530 37.446 38.000 -0.040 0.000 1.046 545 I HN 0.277 nan 8.210 nan 0.000 0.405 546 N N 0.289 118.937 118.700 -0.086 0.000 2.512 546 N HA -0.094 4.646 4.740 0.001 0.000 0.183 546 N C 1.525 177.026 175.510 -0.016 0.000 1.073 546 N CA 1.688 54.694 53.050 -0.075 0.000 0.911 546 N CB -0.165 38.157 38.487 -0.274 0.000 0.964 546 N HN 0.500 nan 8.380 nan 0.000 0.447 547 T N -3.164 111.385 114.554 -0.008 0.000 3.044 547 T HA 0.457 4.807 4.350 0.001 0.000 0.260 547 T C 0.648 175.360 174.700 0.021 0.000 1.019 547 T CA -0.505 61.598 62.100 0.004 0.000 0.921 547 T CB 0.286 69.149 68.868 -0.008 0.000 1.053 547 T HN 0.088 nan 8.240 nan 0.000 0.533 548 A N 1.973 124.822 122.820 0.049 0.000 2.498 548 A HA 0.612 4.933 4.320 0.001 0.000 0.239 548 A C 0.624 178.230 177.584 0.036 0.000 1.068 548 A CA -0.092 51.978 52.037 0.055 0.000 0.766 548 A CB -0.012 19.055 19.000 0.111 0.000 1.003 548 A HN 1.026 nan 8.150 nan 0.000 0.497 549 S N 1.058 116.755 115.700 -0.005 0.000 2.588 549 S HA 0.445 4.915 4.470 0.001 0.000 0.269 549 S C 0.393 174.925 174.600 -0.112 0.000 1.157 549 S CA -0.120 58.050 58.200 -0.050 0.000 0.824 549 S CB 0.568 63.730 63.200 -0.063 0.000 1.126 549 S HN 1.063 nan 8.310 nan 0.000 0.464 550 I N 1.337 121.781 120.570 -0.210 0.000 2.226 550 I HA -0.091 4.079 4.170 0.001 0.000 0.245 550 I C 2.509 178.456 176.117 -0.283 0.000 1.100 550 I CA 2.050 63.159 61.300 -0.318 0.000 1.374 550 I CB -0.585 36.976 38.000 -0.733 0.000 1.057 550 I HN 0.933 nan 8.210 nan 0.000 0.413 551 Q N 0.533 120.170 119.800 -0.271 0.000 2.084 551 Q HA -0.201 4.140 4.340 0.001 0.000 0.202 551 Q C 2.420 178.326 176.000 -0.156 0.000 0.978 551 Q CA 2.640 58.305 55.803 -0.229 0.000 0.844 551 Q CB -0.597 28.032 28.738 -0.180 0.000 0.898 551 Q HN 0.686 nan 8.270 nan 0.000 0.426 552 S N -0.627 115.000 115.700 -0.121 0.000 2.406 552 S HA -0.112 4.358 4.470 0.001 0.000 0.228 552 S C 1.890 176.421 174.600 -0.115 0.000 1.020 552 S CA 0.887 59.032 58.200 -0.092 0.000 0.965 552 S CB -0.594 62.570 63.200 -0.059 0.000 0.798 552 S HN 0.413 nan 8.310 nan 0.000 0.488 553 L N 1.055 122.189 121.223 -0.149 0.000 2.012 553 L HA 0.025 4.366 4.340 0.001 0.000 0.210 553 L C 2.099 178.840 176.870 -0.216 0.000 1.073 553 L CA 1.698 56.407 54.840 -0.218 0.000 0.748 553 L CB -0.686 41.188 42.059 -0.309 0.000 0.891 553 L HN 0.268 nan 8.230 nan 0.000 0.431 554 I N -1.175 119.280 120.570 -0.191 0.000 2.353 554 I HA -0.239 3.932 4.170 0.001 0.000 0.248 554 I C 2.711 178.745 176.117 -0.138 0.000 1.119 554 I CA 1.250 62.445 61.300 -0.174 0.000 1.417 554 I CB -0.985 36.913 38.000 -0.170 0.000 1.078 554 I HN 0.488 nan 8.210 nan 0.000 0.421 555 c N 0.981 119.510 118.600 -0.119 0.000 2.435 555 c HA -0.087 4.483 4.570 0.001 0.000 0.279 555 c C 2.560 176.602 174.090 -0.080 0.000 1.321 555 c CA 0.911 57.189 56.329 -0.084 0.000 1.752 555 c CB -1.253 41.218 42.510 -0.065 0.000 1.959 555 c HN 0.502 nan 8.230 nan 0.000 0.500 556 N N 1.137 119.782 118.700 -0.091 0.000 2.446 556 N HA 0.033 4.774 4.740 0.001 0.000 0.179 556 N C 0.851 176.303 175.510 -0.097 0.000 1.054 556 N CA 0.797 53.798 53.050 -0.082 0.000 0.905 556 N CB -0.308 38.134 38.487 -0.074 0.000 0.973 556 N HN 0.651 nan 8.380 nan 0.000 0.448 557 N N -0.506 118.121 118.700 -0.123 0.000 2.143 557 N HA 0.110 4.851 4.740 0.001 0.000 0.222 557 N C -0.728 174.689 175.510 -0.155 0.000 1.264 557 N CA 0.129 53.093 53.050 -0.143 0.000 0.897 557 N CB 2.082 40.467 38.487 -0.170 0.000 1.092 557 N HN -0.123 nan 8.380 nan 0.000 0.516 558 V N 1.682 121.514 119.914 -0.136 0.000 2.487 558 V HA 0.231 4.351 4.120 0.001 0.000 0.298 558 V C 0.364 176.401 176.094 -0.094 0.000 1.028 558 V CA -1.170 61.052 62.300 -0.129 0.000 0.860 558 V CB 2.610 34.357 31.823 -0.127 0.000 0.991 558 V HN -0.022 nan 8.190 nan 0.000 0.427 559 K N 2.958 123.305 120.400 -0.088 0.000 2.484 559 K HA 0.316 4.637 4.320 0.001 0.000 0.280 559 K C 1.160 177.736 176.600 -0.040 0.000 1.013 559 K CA 1.286 57.537 56.287 -0.061 0.000 1.029 559 K CB 0.125 32.592 32.500 -0.055 0.000 0.902 559 K HN 1.202 nan 8.250 nan 0.000 0.481 560 G N 2.971 111.752 108.800 -0.032 0.000 2.157 560 G HA2 -0.315 3.645 3.960 0.001 0.000 0.248 560 G HA3 -0.315 3.645 3.960 0.001 0.000 0.248 560 G C 0.336 175.227 174.900 -0.015 0.000 0.979 560 G CA -0.210 44.879 45.100 -0.018 0.000 0.650 560 G HN 1.112 nan 8.290 nan 0.000 0.529 561 c N 0.932 119.516 118.600 -0.027 0.000 2.977 561 c HA -0.074 4.496 4.570 0.001 0.000 0.252 561 c C -0.304 173.784 174.090 -0.003 0.000 1.310 561 c CA -0.073 56.240 56.329 -0.026 0.000 2.393 561 c CB -1.602 40.897 42.510 -0.019 0.000 1.512 561 c HN 0.761 nan 8.230 nan 0.000 0.453 562 P HA 0.244 nan 4.420 nan 0.000 0.275 562 P C -0.056 177.269 177.300 0.042 0.000 1.228 562 P CA -0.156 62.960 63.100 0.027 0.000 0.786 562 P CB 0.429 32.133 31.700 0.006 0.000 0.927 563 F N 2.183 122.112 119.950 -0.035 0.000 2.563 563 F HA 0.315 4.843 4.527 0.001 0.000 0.363 563 F C 0.422 176.198 175.800 -0.040 0.000 1.123 563 F CA 1.241 59.217 58.000 -0.040 0.000 1.307 563 F CB 0.451 39.431 39.000 -0.033 0.000 1.115 563 F HN 0.344 nan 8.300 nan 0.000 0.592 564 T N 3.502 117.362 114.554 -1.157 0.000 2.821 564 T HA 0.594 4.945 4.350 0.001 0.000 0.306 564 T C -1.381 172.655 174.700 -1.106 0.000 1.313 564 T CA -0.075 61.459 62.100 -0.944 0.000 1.012 564 T CB 1.224 69.843 68.868 -0.414 0.000 1.298 564 T HN 1.008 nan 8.240 nan 0.000 0.502 565 S N 0.599 115.909 115.700 -0.652 0.000 2.627 565 S HA 0.497 4.967 4.470 0.001 0.000 0.268 565 S C -0.803 173.641 174.600 -0.260 0.000 1.130 565 S CA -0.617 57.292 58.200 -0.485 0.000 0.819 565 S CB 0.316 63.342 63.200 -0.290 0.000 1.100 565 S HN 0.641 nan 8.310 nan 0.000 0.465 566 F N 1.567 121.405 119.950 -0.186 0.000 2.776 566 F HA 0.229 4.757 4.527 0.001 0.000 0.300 566 F C 0.994 176.508 175.800 -0.477 0.000 1.116 566 F CA -0.291 57.569 58.000 -0.233 0.000 1.375 566 F CB 0.208 39.068 39.000 -0.233 0.000 1.109 566 F HN 0.674 nan 8.300 nan 0.000 0.585 567 N N -1.075 117.501 118.700 -0.207 0.000 2.370 567 N HA 0.356 5.096 4.740 0.001 0.000 0.303 567 N C -1.052 174.456 175.510 -0.003 0.000 1.103 567 N CA -0.688 52.264 53.050 -0.162 0.000 0.848 567 N CB 1.557 39.984 38.487 -0.100 0.000 1.235 567 N HN -0.261 nan 8.380 nan 0.000 0.496 568 V N 2.354 122.279 119.914 0.019 0.000 2.493 568 V HA -0.027 4.094 4.120 0.001 0.000 0.292 568 V C 0.861 176.994 176.094 0.066 0.000 1.016 568 V CA -0.109 62.225 62.300 0.057 0.000 1.097 568 V CB -0.019 31.834 31.823 0.049 0.000 0.947 568 V HN 0.811 nan 8.190 nan 0.000 0.479 569 Q N 0.000 119.861 119.800 0.102 0.000 2.315 569 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 569 Q CA 0.000 55.859 55.803 0.094 0.000 1.022 569 Q CB 0.000 28.832 28.738 0.157 0.000 1.108 569 Q HN 0.000 nan 8.270 nan 0.000 0.481