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 1k1d_1_C DATA FIRST_RESID 1 DATA SEQUENCE MTKIIKNGTI VTATDTYEAH LLIKDGKIAM IGQNLEEKGA EVIDAKGCYV DATA SEQUENCE FPGGIDPHTH LDMPLGGTVT KDDFESGTIA AAFGGTTTII DFCLTNKGEP DATA SEQUENCE LKKAIETWHN KANGKAVIDY GFHLMISEIT DDVLEELPKV LEEEGITSLX DATA SEQUENCE VFMAYKNVFQ ADDGTLYCTL LAAKELGALV MVHAENGDVI DYLTKKALAD DATA SEQUENCE GNTDPIYHAL TRPPELEGEA TGRACQLTEL AGSQLYVVHV TCAQAVEKIA DATA SEQUENCE EARNKGLDVW GETCPQYLVL DQSYLEKPNF EGAKYVWSPP LREKWHQEVL DATA SEQUENCE WNALKNGQLQ TLGSDQCSFD FKGQKELGRG DFTKIPNGGP IIEDRVSILF DATA SEQUENCE SEGVKKGRIT LNQFVDIVST RIAKLFGLFP KKGTIVVGSD ADLVIFDPNI DATA SEQUENCE ERVISAETHH MAVDYNAFEG MKVTGEPVSV LCRGEFVVRD KQFVGKPGYG DATA SEQUENCE QYLKRAKYGT 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.312 176.300 0.020 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 T N 3.297 117.860 114.554 0.016 0.000 2.939 2 T HA 0.110 4.460 4.350 -0.000 0.000 0.312 2 T C -0.004 174.709 174.700 0.022 0.000 1.064 2 T CA 0.515 62.624 62.100 0.015 0.000 1.136 2 T CB 0.320 69.195 68.868 0.012 0.000 1.035 2 T HN 0.469 nan 8.240 nan 0.000 0.538 3 K N 1.830 122.242 120.400 0.021 0.000 2.482 3 K HA 0.693 5.013 4.320 -0.000 0.000 0.257 3 K C -0.973 175.638 176.600 0.018 0.000 0.969 3 K CA -0.862 55.443 56.287 0.030 0.000 0.842 3 K CB 2.343 34.870 32.500 0.045 0.000 1.359 3 K HN 0.412 nan 8.250 nan 0.000 0.441 4 I N 2.703 123.283 120.570 0.017 0.000 2.534 4 I HA 0.315 4.485 4.170 -0.000 0.000 0.286 4 I C -0.851 175.259 176.117 -0.012 0.000 1.094 4 I CA -0.587 60.715 61.300 0.003 0.000 1.055 4 I CB 1.628 39.622 38.000 -0.010 0.000 1.225 4 I HN 0.409 nan 8.210 nan 0.000 0.435 5 I N 7.259 127.826 120.570 -0.006 0.000 2.291 5 I HA 0.244 4.414 4.170 -0.000 0.000 0.290 5 I C 0.144 176.244 176.117 -0.028 0.000 1.050 5 I CA -0.451 60.840 61.300 -0.015 0.000 1.245 5 I CB 0.600 38.591 38.000 -0.016 0.000 1.405 5 I HN 0.565 nan 8.210 nan 0.000 0.478 6 K N 5.100 125.418 120.400 -0.138 0.000 2.185 6 K HA 0.523 4.843 4.320 -0.000 0.000 0.240 6 K C 0.237 176.783 176.600 -0.091 0.000 0.983 6 K CA -0.789 55.293 56.287 -0.341 0.000 0.873 6 K CB 0.989 32.950 32.500 -0.899 0.000 1.118 6 K HN 0.416 nan 8.250 nan 0.000 0.441 7 N N -1.155 117.617 118.700 0.119 0.000 2.741 7 N HA -0.151 4.589 4.740 -0.000 0.000 0.251 7 N C -0.245 175.296 175.510 0.052 0.000 1.112 7 N CA 1.345 54.473 53.050 0.130 0.000 0.750 7 N CB -1.438 37.065 38.487 0.026 0.000 1.119 7 N HN 0.901 nan 8.380 nan 0.000 0.561 8 G N -0.816 108.015 108.800 0.051 0.000 2.461 8 G HA2 0.576 4.536 3.960 -0.000 0.000 0.329 8 G HA3 0.576 4.536 3.960 -0.000 0.000 0.329 8 G C -0.367 174.507 174.900 -0.043 0.000 1.170 8 G CA -0.131 44.957 45.100 -0.021 0.000 0.935 8 G HN 0.031 nan 8.290 nan 0.000 0.492 9 T N 1.481 116.005 114.554 -0.049 0.000 2.753 9 T HA 0.360 4.710 4.350 -0.000 0.000 0.297 9 T C 0.464 175.141 174.700 -0.038 0.000 0.981 9 T CA -0.021 62.070 62.100 -0.015 0.000 0.956 9 T CB 0.546 69.476 68.868 0.103 0.000 0.936 9 T HN 0.278 nan 8.240 nan 0.000 0.463 10 I N 3.338 123.750 120.570 -0.265 0.000 2.496 10 I HA 0.284 4.454 4.170 -0.000 0.000 0.285 10 I C -0.212 175.819 176.117 -0.142 0.000 1.080 10 I CA -0.423 60.676 61.300 -0.335 0.000 1.404 10 I CB 0.915 38.421 38.000 -0.823 0.000 1.403 10 I HN 0.257 nan 8.210 nan 0.000 0.539 11 V N 5.298 125.232 119.914 0.034 0.000 2.445 11 V HA 0.229 4.349 4.120 -0.000 0.000 0.283 11 V C 0.314 176.550 176.094 0.237 0.000 1.014 11 V CA -0.626 61.775 62.300 0.169 0.000 0.852 11 V CB 1.285 33.237 31.823 0.215 0.000 1.021 11 V HN 0.922 nan 8.190 nan 0.000 0.435 12 T N 1.609 116.286 114.554 0.204 0.000 2.888 12 T HA 0.636 4.986 4.350 -0.000 0.000 0.283 12 T C 1.449 176.224 174.700 0.125 0.000 1.013 12 T CA 0.137 62.340 62.100 0.171 0.000 0.938 12 T CB 1.618 70.598 68.868 0.186 0.000 1.298 12 T HN 0.619 nan 8.240 nan 0.000 0.580 13 A N -0.422 122.451 122.820 0.087 0.000 2.168 13 A HA 0.179 4.499 4.320 -0.000 0.000 0.215 13 A C 2.007 179.625 177.584 0.057 0.000 1.152 13 A CA 1.422 53.486 52.037 0.045 0.000 0.716 13 A CB -1.126 17.882 19.000 0.014 0.000 0.794 13 A HN 0.858 nan 8.150 nan 0.000 0.465 14 T N -1.203 113.401 114.554 0.082 0.000 3.115 14 T HA 0.122 4.472 4.350 -0.000 0.000 0.256 14 T C 0.087 174.847 174.700 0.101 0.000 0.970 14 T CA -0.088 62.056 62.100 0.074 0.000 1.010 14 T CB 0.143 69.044 68.868 0.055 0.000 1.151 14 T HN 0.360 nan 8.240 nan 0.000 0.479 15 D N 2.076 122.564 120.400 0.146 0.000 2.332 15 D HA 0.534 5.174 4.640 -0.000 0.000 0.252 15 D C -0.701 175.769 176.300 0.284 0.000 1.050 15 D CA 0.103 54.228 54.000 0.209 0.000 0.970 15 D CB 1.696 42.628 40.800 0.220 0.000 1.141 15 D HN 0.065 nan 8.370 nan 0.000 0.485 16 T N 1.162 115.916 114.554 0.333 0.000 3.348 16 T HA 0.386 4.736 4.350 -0.000 0.000 0.328 16 T C -1.032 173.871 174.700 0.338 0.000 0.913 16 T CA -0.772 61.487 62.100 0.267 0.000 1.043 16 T CB 0.114 69.092 68.868 0.185 0.000 1.021 16 T HN 0.375 nan 8.240 nan 0.000 0.461 17 Y N -0.475 119.877 120.300 0.087 0.000 2.705 17 Y HA 0.792 5.342 4.550 -0.000 0.000 0.332 17 Y C -1.064 174.872 175.900 0.060 0.000 1.221 17 Y CA -1.718 56.420 58.100 0.063 0.000 1.059 17 Y CB 1.046 39.529 38.460 0.039 0.000 1.298 17 Y HN 0.298 nan 8.280 nan 0.000 0.459 18 E N 1.091 121.331 120.200 0.067 0.000 2.151 18 E HA 0.776 5.126 4.350 -0.000 0.000 0.275 18 E C -0.961 175.630 176.600 -0.015 0.000 0.936 18 E CA -0.881 55.500 56.400 -0.032 0.000 0.777 18 E CB 1.864 31.572 29.700 0.014 0.000 1.108 18 E HN 0.928 nan 8.360 nan 0.000 0.401 19 A N 2.823 125.582 122.820 -0.102 0.000 2.483 19 A HA 0.492 4.812 4.320 -0.000 0.000 0.294 19 A C -1.713 175.830 177.584 -0.067 0.000 1.077 19 A CA -0.903 51.050 52.037 -0.140 0.000 0.633 19 A CB 1.060 20.116 19.000 0.092 0.000 1.318 19 A HN 0.587 nan 8.150 nan 0.000 0.455 20 H N -0.403 118.683 119.070 0.026 0.000 2.573 20 H HA 0.707 5.263 4.556 -0.000 0.000 0.351 20 H C -0.970 174.369 175.328 0.019 0.000 1.163 20 H CA -0.888 55.165 56.048 0.009 0.000 1.205 20 H CB 1.197 30.967 29.762 0.013 0.000 1.605 20 H HN 0.519 nan 8.280 nan 0.000 0.525 21 L N 2.760 124.065 121.223 0.138 0.000 2.313 21 L HA 0.254 4.594 4.340 -0.000 0.000 0.283 21 L C -0.428 176.476 176.870 0.057 0.000 1.013 21 L CA -1.027 53.858 54.840 0.075 0.000 0.816 21 L CB 1.659 43.738 42.059 0.034 0.000 1.236 21 L HN 0.178 nan 8.230 nan 0.000 0.419 22 L N 5.552 126.805 121.223 0.050 0.000 2.259 22 L HA 0.495 4.835 4.340 -0.000 0.000 0.288 22 L C -0.347 176.532 176.870 0.015 0.000 1.051 22 L CA 0.142 55.002 54.840 0.034 0.000 0.824 22 L CB 0.580 42.662 42.059 0.037 0.000 1.206 22 L HN 0.369 nan 8.230 nan 0.000 0.429 23 I N 5.290 125.862 120.570 0.004 0.000 2.396 23 I HA 0.303 4.473 4.170 -0.000 0.000 0.292 23 I C 0.350 176.466 176.117 -0.002 0.000 0.999 23 I CA -0.348 60.947 61.300 -0.008 0.000 1.310 23 I CB 1.334 39.318 38.000 -0.027 0.000 1.404 23 I HN 0.659 nan 8.210 nan 0.000 0.496 24 K N 3.039 123.436 120.400 -0.004 0.000 4.450 24 K HA 0.202 4.522 4.320 -0.000 0.000 0.247 24 K C 0.099 176.699 176.600 -0.000 0.000 1.242 24 K CA 0.078 56.364 56.287 -0.000 0.000 1.820 24 K CB -0.043 32.457 32.500 -0.001 0.000 2.701 24 K HN 0.415 nan 8.250 nan 0.000 0.569 25 D N 0.316 120.713 120.400 -0.005 0.000 2.841 25 D HA 0.214 4.854 4.640 -0.000 0.000 0.244 25 D C -0.002 176.295 176.300 -0.005 0.000 1.228 25 D CA 1.147 55.145 54.000 -0.004 0.000 0.872 25 D CB -0.333 40.461 40.800 -0.010 0.000 1.082 25 D HN 0.663 nan 8.370 nan 0.000 0.457 26 G N 0.500 109.300 108.800 0.000 0.000 2.162 26 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 26 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 26 G C 0.393 175.282 174.900 -0.018 0.000 0.976 26 G CA 0.196 45.297 45.100 0.003 0.000 0.655 26 G HN 0.423 nan 8.290 nan 0.000 0.533 27 K N -0.740 119.646 120.400 -0.024 0.000 2.352 27 K HA 0.708 5.028 4.320 -0.000 0.000 0.240 27 K C -0.012 176.571 176.600 -0.028 0.000 1.017 27 K CA -1.222 55.044 56.287 -0.035 0.000 0.851 27 K CB 1.814 34.290 32.500 -0.040 0.000 1.261 27 K HN 0.075 nan 8.250 nan 0.000 0.451 28 I N 2.320 122.871 120.570 -0.030 0.000 2.363 28 I HA -0.003 4.167 4.170 -0.000 0.000 0.292 28 I C 1.005 177.116 176.117 -0.010 0.000 1.075 28 I CA 0.087 61.377 61.300 -0.016 0.000 1.333 28 I CB 1.182 39.175 38.000 -0.011 0.000 1.415 28 I HN 0.832 nan 8.210 nan 0.000 0.502 29 A N 7.970 130.789 122.820 -0.002 0.000 1.874 29 A HA 0.156 4.476 4.320 -0.000 0.000 0.214 29 A C 0.778 178.367 177.584 0.008 0.000 1.189 29 A CA 0.950 52.988 52.037 0.001 0.000 0.615 29 A CB 0.144 19.146 19.000 0.004 0.000 0.830 29 A HN 0.786 nan 8.150 nan 0.000 0.443 30 M N -2.514 117.098 119.600 0.020 0.000 2.643 30 M HA 0.685 5.165 4.480 -0.000 0.000 0.276 30 M C -2.010 174.319 176.300 0.048 0.000 1.200 30 M CA -0.530 54.787 55.300 0.028 0.000 0.863 30 M CB 1.506 34.121 32.600 0.025 0.000 1.711 30 M HN -0.047 nan 8.290 nan 0.000 0.492 31 I N 0.800 121.405 120.570 0.058 0.000 2.569 31 I HA 0.992 5.162 4.170 -0.000 0.000 0.296 31 I C 0.145 176.305 176.117 0.071 0.000 1.028 31 I CA -0.605 60.750 61.300 0.090 0.000 1.082 31 I CB 2.213 40.301 38.000 0.146 0.000 1.264 31 I HN 1.049 nan 8.210 nan 0.000 0.429 32 G N 4.146 112.982 108.800 0.060 0.000 2.320 32 G HA2 0.322 4.282 3.960 -0.000 0.000 0.296 32 G HA3 0.322 4.282 3.960 -0.000 0.000 0.296 32 G C -2.188 172.648 174.900 -0.105 0.000 1.306 32 G CA -0.799 44.305 45.100 0.008 0.000 0.836 32 G HN 0.579 nan 8.290 nan 0.000 0.517 33 Q N -0.275 119.436 119.800 -0.149 0.000 2.257 33 Q HA 0.591 4.931 4.340 -0.000 0.000 0.262 33 Q C -0.332 175.599 176.000 -0.116 0.000 0.997 33 Q CA -0.948 54.645 55.803 -0.351 0.000 0.873 33 Q CB 1.526 30.129 28.738 -0.225 0.000 1.312 33 Q HN 0.516 nan 8.270 nan 0.000 0.450 34 N N 0.788 119.497 118.700 0.015 0.000 2.714 34 N HA -0.164 4.576 4.740 -0.000 0.000 0.253 34 N C -0.929 174.710 175.510 0.216 0.000 1.024 34 N CA 0.658 53.856 53.050 0.247 0.000 0.726 34 N CB -1.377 37.175 38.487 0.107 0.000 0.908 34 N HN 0.614 nan 8.380 nan 0.000 0.542 35 L N 0.257 121.690 121.223 0.349 0.000 2.436 35 L HA 0.325 4.665 4.340 -0.000 0.000 0.265 35 L C 0.838 177.767 176.870 0.098 0.000 1.168 35 L CA 0.271 55.215 54.840 0.172 0.000 0.815 35 L CB 0.649 42.813 42.059 0.175 0.000 1.109 35 L HN 0.144 nan 8.230 nan 0.000 0.462 36 E N 1.576 121.811 120.200 0.058 0.000 2.372 36 E HA 0.456 4.806 4.350 -0.000 0.000 0.279 36 E C -1.424 175.190 176.600 0.023 0.000 0.946 36 E CA -0.724 55.694 56.400 0.031 0.000 0.769 36 E CB 2.997 32.713 29.700 0.027 0.000 1.230 36 E HN 0.492 nan 8.360 nan 0.000 0.442 37 E N 2.384 122.593 120.200 0.014 0.000 2.683 37 E HA 0.045 4.395 4.350 -0.000 0.000 0.339 37 E C -1.495 175.109 176.600 0.007 0.000 0.921 37 E CA -0.385 56.022 56.400 0.011 0.000 0.786 37 E CB 1.227 30.936 29.700 0.014 0.000 1.363 37 E HN 0.354 nan 8.360 nan 0.000 0.401 38 K N 2.303 122.706 120.400 0.005 0.000 2.511 38 K HA 0.103 4.423 4.320 -0.000 0.000 0.277 38 K C 0.212 176.813 176.600 0.002 0.000 1.025 38 K CA 1.730 58.018 56.287 0.002 0.000 1.112 38 K CB 0.024 32.525 32.500 0.002 0.000 0.859 38 K HN 0.750 nan 8.250 nan 0.000 0.485 39 G N 2.654 111.454 108.800 -0.000 0.000 2.815 39 G HA2 0.002 3.962 3.960 -0.000 0.000 0.234 39 G HA3 0.002 3.962 3.960 -0.000 0.000 0.234 39 G C 0.131 175.033 174.900 0.004 0.000 0.971 39 G CA -0.108 44.992 45.100 0.000 0.000 1.124 39 G HN 0.928 nan 8.290 nan 0.000 0.435 40 A N 1.854 124.676 122.820 0.003 0.000 2.709 40 A HA 0.668 4.988 4.320 -0.000 0.000 0.212 40 A C 1.149 178.742 177.584 0.015 0.000 1.280 40 A CA 1.409 53.451 52.037 0.009 0.000 1.034 40 A CB -0.124 18.880 19.000 0.006 0.000 1.255 40 A HN 2.064 nan 8.150 nan 0.000 0.547 41 E N -1.084 119.120 120.200 0.007 0.000 3.904 41 E HA -0.243 4.107 4.350 -0.000 0.000 0.316 41 E C -0.137 176.466 176.600 0.006 0.000 0.643 41 E CA 0.807 57.211 56.400 0.007 0.000 1.129 41 E CB -1.751 27.969 29.700 0.032 0.000 1.635 41 E HN 1.136 nan 8.360 nan 0.000 0.424 42 V N 1.360 121.276 119.914 0.003 0.000 5.604 42 V HA -0.268 3.852 4.120 -0.000 0.000 0.305 42 V C 0.481 176.570 176.094 -0.009 0.000 0.712 42 V CA 1.750 64.040 62.300 -0.016 0.000 1.117 42 V CB -0.988 30.812 31.823 -0.039 0.000 1.297 42 V HN 0.239 nan 8.190 nan 0.000 0.443 43 I N 3.338 123.920 120.570 0.020 0.000 2.396 43 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 43 I C 0.343 176.455 176.117 -0.008 0.000 0.999 43 I CA -0.246 61.082 61.300 0.047 0.000 1.310 43 I CB 1.328 39.427 38.000 0.165 0.000 1.404 43 I HN 0.619 nan 8.210 nan 0.000 0.496 44 D N 4.417 124.807 120.400 -0.016 0.000 2.274 44 D HA 0.553 5.193 4.640 -0.000 0.000 0.239 44 D C 0.226 176.511 176.300 -0.025 0.000 1.104 44 D CA -0.285 53.691 54.000 -0.040 0.000 0.840 44 D CB 1.480 42.254 40.800 -0.043 0.000 1.100 44 D HN 0.641 nan 8.370 nan 0.000 0.477 45 A N 4.011 126.811 122.820 -0.034 0.000 2.564 45 A HA 0.163 4.483 4.320 -0.000 0.000 0.279 45 A C 0.517 178.072 177.584 -0.049 0.000 1.232 45 A CA -0.416 51.601 52.037 -0.034 0.000 0.950 45 A CB -0.167 18.815 19.000 -0.030 0.000 1.138 45 A HN 0.500 nan 8.150 nan 0.000 0.526 46 K N -0.057 120.316 120.400 -0.044 0.000 2.586 46 K HA 0.199 4.519 4.320 -0.000 0.000 0.280 46 K C 1.145 177.701 176.600 -0.074 0.000 0.972 46 K CA 0.951 57.209 56.287 -0.047 0.000 1.040 46 K CB 0.069 32.546 32.500 -0.037 0.000 0.870 46 K HN 0.819 nan 8.250 nan 0.000 0.497 47 G N 1.237 109.982 108.800 -0.093 0.000 2.341 47 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.292 47 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.292 47 G C -0.235 174.550 174.900 -0.192 0.000 1.021 47 G CA 0.158 45.177 45.100 -0.135 0.000 0.905 47 G HN 0.563 nan 8.290 nan 0.000 0.508 48 C N -1.657 117.516 119.300 -0.211 0.000 3.173 48 C HA 0.711 5.171 4.460 -0.000 0.000 0.310 48 C C -0.334 174.503 174.990 -0.255 0.000 1.306 48 C CA -1.455 57.421 59.018 -0.236 0.000 1.426 48 C CB 1.458 29.119 27.740 -0.133 0.000 1.800 48 C HN 0.355 nan 8.230 nan 0.000 0.470 49 Y N 0.578 120.750 120.300 -0.213 0.000 2.403 49 Y HA 0.607 5.157 4.550 -0.000 0.000 0.323 49 Y C 0.242 175.852 175.900 -0.483 0.000 1.226 49 Y CA -0.698 57.165 58.100 -0.395 0.000 1.235 49 Y CB 0.998 39.037 38.460 -0.700 0.000 1.248 49 Y HN 0.309 nan 8.280 nan 0.000 0.489 50 V N 4.400 124.159 119.914 -0.259 0.000 2.357 50 V HA 0.319 4.439 4.120 -0.000 0.000 0.281 50 V C -0.919 175.088 176.094 -0.146 0.000 1.015 50 V CA -0.885 61.297 62.300 -0.197 0.000 0.827 50 V CB -0.133 31.631 31.823 -0.097 0.000 1.018 50 V HN 0.417 nan 8.190 nan 0.000 0.432 51 F N 4.785 124.765 119.950 0.049 0.000 2.440 51 F HA 0.654 5.181 4.527 -0.000 0.000 0.328 51 F C -2.216 173.575 175.800 -0.016 0.000 1.070 51 F CA -3.197 54.808 58.000 0.008 0.000 1.011 51 F CB 0.882 39.874 39.000 -0.013 0.000 1.226 51 F HN 0.231 nan 8.300 nan 0.000 0.491 52 P HA 0.181 nan 4.420 nan 0.000 0.276 52 P C -0.062 177.267 177.300 0.050 0.000 1.235 52 P CA -0.231 62.917 63.100 0.079 0.000 0.772 52 P CB 0.553 32.285 31.700 0.053 0.000 0.871 53 G N 3.267 112.084 108.800 0.027 0.000 2.460 53 G HA2 0.236 4.196 3.960 -0.000 0.000 0.230 53 G HA3 0.236 4.196 3.960 -0.000 0.000 0.230 53 G C 0.622 175.505 174.900 -0.028 0.000 1.248 53 G CA -0.036 45.071 45.100 0.011 0.000 0.863 53 G HN 0.592 nan 8.290 nan 0.000 0.549 54 G N -0.331 108.443 108.800 -0.043 0.000 2.539 54 G HA2 0.486 4.446 3.960 -0.000 0.000 0.258 54 G HA3 0.486 4.446 3.960 -0.000 0.000 0.258 54 G C -0.228 174.634 174.900 -0.062 0.000 1.202 54 G CA -0.694 44.352 45.100 -0.089 0.000 0.851 54 G HN 0.689 nan 8.290 nan 0.000 0.556 55 I N 0.977 121.504 120.570 -0.071 0.000 2.439 55 I HA 0.190 4.360 4.170 -0.000 0.000 0.285 55 I C -1.087 174.997 176.117 -0.055 0.000 1.021 55 I CA -0.709 60.555 61.300 -0.060 0.000 1.091 55 I CB 2.214 40.181 38.000 -0.053 0.000 1.242 55 I HN 0.299 nan 8.210 nan 0.000 0.439 56 D N 9.169 129.537 120.400 -0.053 0.000 2.443 56 D HA 0.241 4.881 4.640 -0.000 0.000 0.221 56 D C -1.744 174.520 176.300 -0.060 0.000 1.097 56 D CA -1.944 52.038 54.000 -0.030 0.000 0.865 56 D CB 1.878 42.669 40.800 -0.015 0.000 1.034 56 D HN 0.267 nan 8.370 nan 0.000 0.511 57 P HA -0.030 nan 4.420 nan 0.000 0.249 57 P C -0.141 177.158 177.300 -0.003 0.000 1.229 57 P CA 0.265 63.234 63.100 -0.219 0.000 0.788 57 P CB 0.080 31.530 31.700 -0.418 0.000 1.072 58 H N -0.343 118.754 119.070 0.045 0.000 2.541 58 H HA 0.392 4.948 4.556 -0.000 0.000 0.246 58 H C -0.837 174.531 175.328 0.065 0.000 1.341 58 H CA -0.200 55.968 56.048 0.200 0.000 1.469 58 H CB 0.394 30.277 29.762 0.201 0.000 1.472 58 H HN -0.206 nan 8.280 nan 0.000 0.503 59 T N 3.172 117.864 114.554 0.230 0.000 2.863 59 T HA 0.258 4.608 4.350 -0.000 0.000 0.285 59 T C -0.893 173.782 174.700 -0.041 0.000 1.009 59 T CA -0.722 61.407 62.100 0.050 0.000 0.989 59 T CB 1.156 70.023 68.868 -0.002 0.000 1.004 59 T HN 0.549 nan 8.240 nan 0.000 0.455 60 H N 3.828 123.027 119.070 0.215 0.000 2.761 60 H HA 0.349 4.905 4.556 -0.000 0.000 0.263 60 H C 0.351 175.698 175.328 0.033 0.000 1.292 60 H CA -0.301 55.882 56.048 0.224 0.000 1.540 60 H CB 0.637 30.517 29.762 0.197 0.000 1.569 60 H HN 0.406 nan 8.280 nan 0.000 0.510 61 L N 0.258 121.488 121.223 0.011 0.000 2.121 61 L HA 0.048 4.388 4.340 -0.000 0.000 0.200 61 L C 1.606 178.443 176.870 -0.055 0.000 1.132 61 L CA 0.563 55.277 54.840 -0.211 0.000 0.782 61 L CB 0.057 41.629 42.059 -0.812 0.000 0.940 61 L HN 0.330 nan 8.230 nan 0.000 0.458 62 D N 1.019 121.454 120.400 0.057 0.000 2.323 62 D HA 0.059 4.699 4.640 -0.000 0.000 0.239 62 D C 0.537 176.831 176.300 -0.010 0.000 1.129 62 D CA -0.066 53.947 54.000 0.022 0.000 0.865 62 D CB 0.100 40.900 40.800 -0.001 0.000 0.913 62 D HN 0.136 nan 8.370 nan 0.000 0.517 63 M N 0.249 119.919 119.600 0.117 0.000 2.245 63 M HA 0.310 4.790 4.480 -0.000 0.000 0.344 63 M C -2.696 173.703 176.300 0.165 0.000 1.170 63 M CA -0.801 54.631 55.300 0.220 0.000 1.135 63 M CB 1.022 33.848 32.600 0.377 0.000 1.574 63 M HN -0.339 nan 8.290 nan 0.000 0.452 64 P HA 0.343 nan 4.420 nan 0.000 0.300 64 P C -1.430 175.978 177.300 0.181 0.000 1.375 64 P CA -0.295 62.904 63.100 0.166 0.000 0.864 64 P CB 1.166 32.931 31.700 0.109 0.000 0.958 65 L N 3.894 125.251 121.223 0.224 0.000 2.599 65 L HA 0.712 5.052 4.340 -0.000 0.000 0.241 65 L C 0.537 177.408 176.870 0.001 0.000 1.207 65 L CA 0.505 55.423 54.840 0.131 0.000 0.987 65 L CB -0.356 41.826 42.059 0.204 0.000 1.318 65 L HN 0.713 nan 8.230 nan 0.000 0.458 66 G N 0.956 109.755 108.800 -0.001 0.000 2.265 66 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.246 66 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.246 66 G C 0.445 175.334 174.900 -0.017 0.000 1.299 66 G CA -0.310 44.766 45.100 -0.040 0.000 1.117 66 G HN 0.519 nan 8.290 nan 0.000 0.485 67 G N -0.466 108.317 108.800 -0.028 0.000 2.920 67 G HA2 0.428 4.388 3.960 -0.000 0.000 0.208 67 G HA3 0.428 4.388 3.960 -0.000 0.000 0.208 67 G C 0.757 175.660 174.900 0.006 0.000 1.159 67 G CA 2.215 47.306 45.100 -0.014 0.000 0.784 67 G HN 1.165 nan 8.290 nan 0.000 0.535 68 T N -1.000 113.566 114.554 0.019 0.000 2.927 68 T HA 0.627 4.977 4.350 -0.000 0.000 0.286 68 T C -0.911 173.873 174.700 0.140 0.000 1.040 68 T CA -0.487 61.654 62.100 0.067 0.000 1.010 68 T CB 1.950 70.855 68.868 0.062 0.000 1.177 68 T HN -0.107 nan 8.240 nan 0.000 0.546 69 V N 1.260 121.288 119.914 0.190 0.000 2.962 69 V HA 0.429 4.549 4.120 -0.000 0.000 0.313 69 V C 0.170 176.399 176.094 0.225 0.000 1.099 69 V CA -1.024 61.396 62.300 0.201 0.000 0.971 69 V CB 2.149 34.027 31.823 0.092 0.000 1.028 69 V HN 1.082 nan 8.190 nan 0.000 0.430 70 T N 2.460 117.058 114.554 0.073 0.000 2.891 70 T HA -0.045 4.305 4.350 -0.000 0.000 0.296 70 T C 1.125 175.759 174.700 -0.111 0.000 1.025 70 T CA 0.422 62.372 62.100 -0.249 0.000 1.149 70 T CB 0.292 68.999 68.868 -0.269 0.000 1.007 70 T HN 0.763 nan 8.240 nan 0.000 0.528 71 K N 2.256 122.580 120.400 -0.126 0.000 2.097 71 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 71 K C 0.443 177.001 176.600 -0.070 0.000 1.049 71 K CA 1.356 57.620 56.287 -0.038 0.000 0.933 71 K CB 0.091 32.588 32.500 -0.006 0.000 0.717 71 K HN 0.583 nan 8.250 nan 0.000 0.442 72 D N 1.764 122.088 120.400 -0.127 0.000 2.249 72 D HA 0.018 4.658 4.640 -0.000 0.000 0.246 72 D C -0.371 175.864 176.300 -0.107 0.000 1.114 72 D CA -0.157 53.772 54.000 -0.120 0.000 0.854 72 D CB 1.048 41.754 40.800 -0.158 0.000 1.132 72 D HN 0.384 nan 8.370 nan 0.000 0.461 73 D N 0.921 121.281 120.400 -0.066 0.000 2.539 73 D HA 0.053 4.693 4.640 -0.000 0.000 0.276 73 D C 0.966 177.245 176.300 -0.035 0.000 1.206 73 D CA -0.589 53.398 54.000 -0.021 0.000 1.081 73 D CB 0.308 41.121 40.800 0.021 0.000 1.142 73 D HN 0.131 nan 8.370 nan 0.000 0.595 74 F N -0.203 119.696 119.950 -0.085 0.000 2.408 74 F HA -0.053 4.474 4.527 -0.000 0.000 0.300 74 F C 2.476 178.224 175.800 -0.087 0.000 1.090 74 F CA 1.053 58.995 58.000 -0.096 0.000 1.427 74 F CB -0.004 38.910 39.000 -0.144 0.000 1.070 74 F HN 0.470 nan 8.300 nan 0.000 0.549 75 E N -0.190 120.059 120.200 0.082 0.000 2.030 75 E HA -0.153 4.197 4.350 -0.000 0.000 0.189 75 E C 2.432 179.018 176.600 -0.022 0.000 0.974 75 E CA 1.201 57.622 56.400 0.035 0.000 0.807 75 E CB -0.072 29.647 29.700 0.031 0.000 0.771 75 E HN 0.348 nan 8.360 nan 0.000 0.451 76 S N 0.038 115.713 115.700 -0.041 0.000 2.356 76 S HA -0.104 4.366 4.470 -0.000 0.000 0.223 76 S C 2.227 176.778 174.600 -0.081 0.000 1.032 76 S CA 1.241 59.400 58.200 -0.069 0.000 1.005 76 S CB -1.050 62.110 63.200 -0.067 0.000 0.867 76 S HN 0.366 nan 8.310 nan 0.000 0.449 77 G N 1.348 110.085 108.800 -0.104 0.000 2.442 77 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 77 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 77 G C 1.488 176.332 174.900 -0.093 0.000 1.141 77 G CA 1.524 46.546 45.100 -0.129 0.000 0.763 77 G HN 0.570 nan 8.290 nan 0.000 0.554 78 T N 1.299 115.810 114.554 -0.072 0.000 2.708 78 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 78 T C 2.393 177.094 174.700 0.001 0.000 1.037 78 T CA 1.061 63.150 62.100 -0.018 0.000 1.146 78 T CB -0.155 68.731 68.868 0.030 0.000 0.865 78 T HN 0.271 nan 8.240 nan 0.000 0.435 79 I N 1.391 121.940 120.570 -0.035 0.000 2.179 79 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 79 I C 2.973 179.144 176.117 0.089 0.000 1.088 79 I CA 1.108 62.371 61.300 -0.061 0.000 1.357 79 I CB -0.625 37.219 38.000 -0.259 0.000 1.051 79 I HN 0.193 nan 8.210 nan 0.000 0.409 80 A N 1.084 123.937 122.820 0.056 0.000 1.859 80 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 80 A C 2.575 180.213 177.584 0.091 0.000 1.198 80 A CA 2.475 54.559 52.037 0.078 0.000 0.629 80 A CB -1.180 17.808 19.000 -0.019 0.000 0.830 80 A HN 0.453 nan 8.150 nan 0.000 0.446 81 A N -0.435 122.407 122.820 0.036 0.000 1.948 81 A HA 0.068 4.388 4.320 -0.000 0.000 0.220 81 A C 2.516 180.132 177.584 0.054 0.000 1.177 81 A CA 2.510 54.569 52.037 0.037 0.000 0.636 81 A CB -1.105 17.898 19.000 0.005 0.000 0.815 81 A HN 1.244 nan 8.150 nan 0.000 0.449 82 A N -1.233 121.612 122.820 0.042 0.000 1.883 82 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 82 A C 1.996 179.550 177.584 -0.050 0.000 1.186 82 A CA 1.592 53.625 52.037 -0.006 0.000 0.624 82 A CB -0.774 18.211 19.000 -0.026 0.000 0.822 82 A HN 0.499 nan 8.150 nan 0.000 0.444 83 F N 0.184 120.098 119.950 -0.059 0.000 2.186 83 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 83 F C 2.524 178.320 175.800 -0.006 0.000 1.090 83 F CA 1.113 59.043 58.000 -0.117 0.000 1.307 83 F CB -0.377 38.342 39.000 -0.469 0.000 1.019 83 F HN 0.312 nan 8.300 nan 0.000 0.489 84 G N -1.121 107.797 108.800 0.197 0.000 2.776 84 G HA2 0.230 4.190 3.960 -0.000 0.000 0.209 84 G HA3 0.230 4.190 3.960 -0.000 0.000 0.209 84 G C 1.509 176.511 174.900 0.171 0.000 1.145 84 G CA 0.560 45.770 45.100 0.182 0.000 0.791 84 G HN 0.643 nan 8.290 nan 0.000 0.530 85 G N -1.388 107.497 108.800 0.142 0.000 2.157 85 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.239 85 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.239 85 G C 0.281 175.219 174.900 0.064 0.000 0.982 85 G CA 0.317 45.495 45.100 0.131 0.000 0.650 85 G HN 0.602 nan 8.290 nan 0.000 0.527 86 T N 1.149 115.730 114.554 0.045 0.000 2.767 86 T HA 0.535 4.885 4.350 -0.000 0.000 0.288 86 T C 1.290 176.000 174.700 0.017 0.000 0.963 86 T CA 0.528 62.637 62.100 0.014 0.000 1.019 86 T CB 1.446 70.319 68.868 0.008 0.000 0.923 86 T HN 0.672 nan 8.240 nan 0.000 0.468 87 T N -0.754 113.804 114.554 0.008 0.000 3.044 87 T HA 0.284 4.634 4.350 -0.000 0.000 0.260 87 T C 0.366 175.074 174.700 0.013 0.000 1.019 87 T CA -0.279 61.832 62.100 0.019 0.000 0.921 87 T CB 0.276 69.152 68.868 0.013 0.000 1.053 87 T HN 0.494 nan 8.240 nan 0.000 0.533 88 T N 2.613 117.162 114.554 -0.008 0.000 3.172 88 T HA 0.614 4.964 4.350 -0.000 0.000 0.320 88 T C -0.889 173.786 174.700 -0.042 0.000 1.085 88 T CA -0.830 61.253 62.100 -0.028 0.000 1.052 88 T CB 1.698 70.524 68.868 -0.069 0.000 1.107 88 T HN 0.535 nan 8.240 nan 0.000 0.458 89 I N 0.071 120.626 120.570 -0.025 0.000 2.785 89 I HA 0.793 4.963 4.170 -0.000 0.000 0.302 89 I C -1.330 174.723 176.117 -0.107 0.000 1.069 89 I CA -1.465 59.804 61.300 -0.051 0.000 1.045 89 I CB 2.020 40.008 38.000 -0.020 0.000 1.236 89 I HN 0.588 nan 8.210 nan 0.000 0.429 90 I N 3.884 124.337 120.570 -0.194 0.000 2.466 90 I HA 0.311 4.481 4.170 -0.000 0.000 0.279 90 I C -0.747 175.206 176.117 -0.273 0.000 1.033 90 I CA -0.344 60.721 61.300 -0.392 0.000 1.123 90 I CB 1.162 38.706 38.000 -0.760 0.000 1.237 90 I HN 0.650 nan 8.210 nan 0.000 0.460 91 D N 5.094 125.508 120.400 0.024 0.000 2.283 91 D HA 0.254 4.894 4.640 -0.000 0.000 0.248 91 D C -0.901 175.542 176.300 0.237 0.000 1.072 91 D CA -0.240 53.927 54.000 0.279 0.000 0.929 91 D CB 1.345 42.534 40.800 0.649 0.000 1.182 91 D HN 0.136 nan 8.370 nan 0.000 0.433 92 F N 2.182 122.298 119.950 0.277 0.000 2.405 92 F HA 0.136 4.663 4.527 -0.000 0.000 0.358 92 F C 0.819 176.527 175.800 -0.153 0.000 1.151 92 F CA -0.681 57.426 58.000 0.178 0.000 1.161 92 F CB 0.537 39.695 39.000 0.264 0.000 1.245 92 F HN 0.183 nan 8.300 nan 0.000 0.545 93 C N 7.610 126.572 119.300 -0.564 0.000 2.520 93 C HA 0.410 4.870 4.460 -0.000 0.000 0.369 93 C C 0.483 174.873 174.990 -1.000 0.000 1.244 93 C CA -0.954 57.002 59.018 -1.770 0.000 1.677 93 C CB -1.805 25.116 27.740 -1.365 0.000 2.324 93 C HN 0.670 nan 8.230 nan 0.000 0.557 94 L N 6.063 126.621 121.223 -1.108 0.000 2.452 94 L HA 0.370 4.710 4.340 -0.000 0.000 0.267 94 L C 0.875 177.667 176.870 -0.130 0.000 1.188 94 L CA 0.418 55.125 54.840 -0.222 0.000 0.821 94 L CB 0.712 42.877 42.059 0.176 0.000 1.102 94 L HN 0.609 nan 8.230 nan 0.000 0.470 95 T N 1.213 115.789 114.554 0.037 0.000 2.893 95 T HA 0.387 4.737 4.350 -0.000 0.000 0.291 95 T C -0.606 174.119 174.700 0.041 0.000 1.028 95 T CA -0.783 61.338 62.100 0.035 0.000 0.995 95 T CB 1.491 70.383 68.868 0.040 0.000 1.051 95 T HN 0.456 nan 8.240 nan 0.000 0.470 96 N N 1.850 120.566 118.700 0.026 0.000 2.361 96 N HA 0.332 5.072 4.740 -0.000 0.000 0.302 96 N C -0.509 175.006 175.510 0.008 0.000 1.074 96 N CA -0.720 52.331 53.050 0.002 0.000 0.850 96 N CB 1.923 40.412 38.487 0.003 0.000 1.228 96 N HN 0.443 nan 8.380 nan 0.000 0.491 97 K N 0.110 120.509 120.400 -0.002 0.000 2.414 97 K HA 0.161 4.481 4.320 -0.000 0.000 0.272 97 K C 1.115 177.720 176.600 0.008 0.000 0.993 97 K CA 0.525 56.816 56.287 0.008 0.000 0.964 97 K CB 0.319 32.821 32.500 0.003 0.000 0.925 97 K HN 0.800 nan 8.250 nan 0.000 0.487 98 G N 1.277 110.085 108.800 0.013 0.000 2.412 98 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.252 98 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.252 98 G C 0.152 175.060 174.900 0.013 0.000 1.038 98 G CA 0.634 45.741 45.100 0.012 0.000 0.628 98 G HN 0.681 nan 8.290 nan 0.000 0.531 99 E N 2.564 122.773 120.200 0.014 0.000 2.259 99 E HA 0.434 4.784 4.350 -0.000 0.000 0.281 99 E C -1.871 174.741 176.600 0.020 0.000 1.027 99 E CA -1.958 54.452 56.400 0.017 0.000 0.838 99 E CB 0.978 30.690 29.700 0.019 0.000 1.066 99 E HN 0.251 nan 8.360 nan 0.000 0.401 100 P HA -0.069 nan 4.420 nan 0.000 0.264 100 P C 0.789 178.103 177.300 0.022 0.000 1.193 100 P CA 0.310 63.422 63.100 0.020 0.000 0.763 100 P CB 0.765 32.476 31.700 0.018 0.000 0.810 101 L N 2.730 123.965 121.223 0.020 0.000 2.081 101 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 101 L C 2.294 179.175 176.870 0.018 0.000 1.080 101 L CA 1.846 56.696 54.840 0.017 0.000 0.754 101 L CB -0.808 41.261 42.059 0.017 0.000 0.893 101 L HN 0.431 nan 8.230 nan 0.000 0.433 102 K N -0.197 120.217 120.400 0.024 0.000 2.442 102 K HA -0.174 4.146 4.320 -0.000 0.000 0.198 102 K C 1.948 178.570 176.600 0.037 0.000 1.042 102 K CA 0.597 56.903 56.287 0.032 0.000 0.958 102 K CB -0.008 32.509 32.500 0.027 0.000 0.766 102 K HN 0.073 nan 8.250 nan 0.000 0.474 103 K N 1.807 122.227 120.400 0.035 0.000 1.984 103 K HA -0.070 4.250 4.320 -0.000 0.000 0.209 103 K C 2.012 178.651 176.600 0.064 0.000 1.046 103 K CA 1.568 57.881 56.287 0.043 0.000 0.934 103 K CB -0.511 32.012 32.500 0.038 0.000 0.717 103 K HN 0.063 nan 8.250 nan 0.000 0.438 104 A N 0.961 123.819 122.820 0.064 0.000 1.883 104 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 104 A C 2.303 179.939 177.584 0.086 0.000 1.186 104 A CA 1.989 54.085 52.037 0.099 0.000 0.624 104 A CB -0.904 18.109 19.000 0.022 0.000 0.822 104 A HN 0.390 nan 8.150 nan 0.000 0.444 105 I N -0.677 119.897 120.570 0.006 0.000 2.248 105 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 105 I C 2.470 178.642 176.117 0.093 0.000 1.107 105 I CA 1.932 63.218 61.300 -0.024 0.000 1.373 105 I CB -0.449 37.574 38.000 0.038 0.000 1.055 105 I HN 0.451 nan 8.210 nan 0.000 0.418 106 E N 0.029 120.304 120.200 0.125 0.000 2.158 106 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 106 E C 2.100 178.766 176.600 0.110 0.000 0.982 106 E CA 1.346 57.832 56.400 0.143 0.000 0.823 106 E CB 0.028 29.770 29.700 0.071 0.000 0.766 106 E HN 0.384 nan 8.360 nan 0.000 0.468 107 T N 0.266 114.884 114.554 0.107 0.000 2.684 107 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 107 T C 1.268 175.962 174.700 -0.010 0.000 1.036 107 T CA 0.963 63.106 62.100 0.071 0.000 1.148 107 T CB -0.255 68.706 68.868 0.154 0.000 0.863 107 T HN 0.369 nan 8.240 nan 0.000 0.436 108 W N 1.126 122.279 121.300 -0.245 0.000 2.379 108 W HA -0.117 4.543 4.660 -0.000 0.000 0.307 108 W C 2.540 178.838 176.519 -0.367 0.000 1.200 108 W CA 0.993 58.068 57.345 -0.450 0.000 1.297 108 W CB -0.504 28.377 29.460 -0.966 0.000 1.140 108 W HN 0.415 nan 8.180 nan 0.000 0.507 109 H N 0.161 119.229 119.070 -0.002 0.000 2.426 109 H HA -0.152 4.404 4.556 -0.000 0.000 0.298 109 H C 1.791 177.102 175.328 -0.029 0.000 1.107 109 H CA 1.473 57.587 56.048 0.109 0.000 1.298 109 H CB -0.383 29.401 29.762 0.038 0.000 1.377 109 H HN 0.210 nan 8.280 nan 0.000 0.519 110 N N 0.945 119.657 118.700 0.020 0.000 2.135 110 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 110 N C 1.917 177.325 175.510 -0.170 0.000 1.027 110 N CA 0.632 53.649 53.050 -0.055 0.000 0.849 110 N CB -0.153 38.302 38.487 -0.054 0.000 1.002 110 N HN 0.369 nan 8.380 nan 0.000 0.425 111 K N 0.824 121.035 120.400 -0.315 0.000 2.074 111 K HA -0.091 4.229 4.320 -0.000 0.000 0.209 111 K C 1.951 178.198 176.600 -0.590 0.000 1.048 111 K CA 1.573 57.596 56.287 -0.441 0.000 0.926 111 K CB -0.079 32.022 32.500 -0.666 0.000 0.713 111 K HN 0.157 nan 8.250 nan 0.000 0.444 112 A N 1.206 123.535 122.820 -0.818 0.000 1.911 112 A HA -0.031 4.289 4.320 -0.000 0.000 0.212 112 A C 0.695 178.092 177.584 -0.312 0.000 1.189 112 A CA 0.021 51.530 52.037 -0.881 0.000 0.639 112 A CB -0.248 18.117 19.000 -1.058 0.000 0.839 112 A HN 0.219 nan 8.150 nan 0.000 0.449 113 N N 0.754 119.395 118.700 -0.099 0.000 2.034 113 N HA -0.008 4.732 4.740 -0.000 0.000 0.293 113 N C 1.218 176.735 175.510 0.011 0.000 1.336 113 N CA 1.492 54.557 53.050 0.025 0.000 0.819 113 N CB -0.001 38.505 38.487 0.031 0.000 1.071 113 N HN 0.737 nan 8.380 nan 0.000 0.495 114 G N 2.633 111.467 108.800 0.056 0.000 2.186 114 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.266 114 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.266 114 G C 0.957 175.892 174.900 0.058 0.000 0.982 114 G CA 1.000 46.136 45.100 0.061 0.000 0.670 114 G HN 0.660 nan 8.290 nan 0.000 0.533 115 K N -0.281 120.138 120.400 0.031 0.000 2.391 115 K HA 0.531 4.851 4.320 -0.000 0.000 0.197 115 K C 1.339 177.981 176.600 0.070 0.000 1.087 115 K CA 0.427 56.744 56.287 0.049 0.000 1.012 115 K CB 0.815 33.336 32.500 0.036 0.000 0.925 115 K HN 0.502 nan 8.250 nan 0.000 0.547 116 A N 1.367 124.208 122.820 0.036 0.000 2.450 116 A HA 0.168 4.488 4.320 -0.000 0.000 0.255 116 A C 1.163 178.848 177.584 0.168 0.000 1.096 116 A CA -0.213 51.861 52.037 0.060 0.000 0.778 116 A CB 0.444 19.400 19.000 -0.073 0.000 1.031 116 A HN -0.009 nan 8.150 nan 0.000 0.494 117 V N 3.167 123.193 119.914 0.187 0.000 3.174 117 V HA 0.071 4.191 4.120 -0.000 0.000 0.254 117 V C 0.860 177.143 176.094 0.315 0.000 1.120 117 V CA 1.542 64.007 62.300 0.274 0.000 1.114 117 V CB -1.251 30.734 31.823 0.270 0.000 0.756 117 V HN 0.802 nan 8.190 nan 0.000 0.467 118 I N -3.799 116.912 120.570 0.234 0.000 3.206 118 I HA 0.645 4.815 4.170 -0.000 0.000 0.313 118 I C -1.016 175.231 176.117 0.216 0.000 1.103 118 I CA -1.108 60.317 61.300 0.208 0.000 0.985 118 I CB 1.516 39.598 38.000 0.138 0.000 1.240 118 I HN -0.180 nan 8.210 nan 0.000 0.464 119 D N 1.301 121.777 120.400 0.126 0.000 2.357 119 D HA 0.396 5.036 4.640 -0.000 0.000 0.242 119 D C -0.940 175.455 176.300 0.158 0.000 1.153 119 D CA 0.823 54.872 54.000 0.082 0.000 0.918 119 D CB 0.752 41.491 40.800 -0.102 0.000 1.181 119 D HN 0.598 nan 8.370 nan 0.000 0.435 120 Y N -2.525 117.685 120.300 -0.150 0.000 2.689 120 Y HA 0.699 5.249 4.550 -0.000 0.000 0.333 120 Y C -0.317 175.316 175.900 -0.444 0.000 1.208 120 Y CA -1.305 56.672 58.100 -0.204 0.000 1.055 120 Y CB 1.032 39.469 38.460 -0.038 0.000 1.304 120 Y HN 0.442 nan 8.280 nan 0.000 0.455 121 G N 0.066 108.569 108.800 -0.494 0.000 2.827 121 G HA2 0.720 4.680 3.960 -0.000 0.000 0.296 121 G HA3 0.720 4.680 3.960 -0.000 0.000 0.296 121 G C -2.372 172.148 174.900 -0.633 0.000 1.362 121 G CA -1.020 43.615 45.100 -0.776 0.000 0.809 121 G HN 0.450 nan 8.290 nan 0.000 0.522 122 F N -0.995 118.859 119.950 -0.160 0.000 2.629 122 F HA 0.607 5.134 4.527 -0.000 0.000 0.316 122 F C -0.193 175.336 175.800 -0.452 0.000 1.081 122 F CA -1.000 56.862 58.000 -0.230 0.000 0.954 122 F CB 2.268 41.237 39.000 -0.052 0.000 1.337 122 F HN 0.246 nan 8.300 nan 0.000 0.474 123 H N 1.317 120.323 119.070 -0.107 0.000 2.572 123 H HA 0.521 5.077 4.556 -0.000 0.000 0.359 123 H C -1.347 173.890 175.328 -0.151 0.000 1.134 123 H CA -0.797 55.084 56.048 -0.278 0.000 1.187 123 H CB 2.604 31.898 29.762 -0.781 0.000 1.597 123 H HN 0.411 nan 8.280 nan 0.000 0.524 124 L N 3.366 124.617 121.223 0.046 0.000 2.282 124 L HA 0.316 4.656 4.340 -0.000 0.000 0.288 124 L C 0.068 176.978 176.870 0.068 0.000 1.033 124 L CA -0.330 54.512 54.840 0.004 0.000 0.807 124 L CB 0.935 42.998 42.059 0.008 0.000 1.209 124 L HN 0.611 nan 8.230 nan 0.000 0.423 125 M N 5.508 125.157 119.600 0.081 0.000 2.242 125 M HA 0.392 4.872 4.480 -0.000 0.000 0.344 125 M C -1.225 175.165 176.300 0.149 0.000 1.140 125 M CA 0.230 55.647 55.300 0.195 0.000 1.160 125 M CB 0.510 33.282 32.600 0.287 0.000 1.491 125 M HN 0.603 nan 8.290 nan 0.000 0.459 126 I N 3.673 124.351 120.570 0.181 0.000 2.468 126 I HA 0.173 4.343 4.170 -0.000 0.000 0.285 126 I C 0.228 176.451 176.117 0.176 0.000 1.039 126 I CA -0.282 61.100 61.300 0.137 0.000 1.074 126 I CB 2.190 40.246 38.000 0.092 0.000 1.228 126 I HN 0.861 nan 8.210 nan 0.000 0.436 127 S N 3.274 119.063 115.700 0.148 0.000 2.540 127 S HA 0.291 4.761 4.470 -0.000 0.000 0.222 127 S C 0.068 174.729 174.600 0.102 0.000 1.008 127 S CA -0.317 57.971 58.200 0.147 0.000 0.939 127 S CB 0.079 63.350 63.200 0.117 0.000 0.865 127 S HN 0.765 nan 8.310 nan 0.000 0.499 128 E N 0.816 121.066 120.200 0.083 0.000 2.388 128 E HA 0.465 4.815 4.350 -0.000 0.000 0.282 128 E C -1.294 175.339 176.600 0.055 0.000 1.026 128 E CA -1.227 55.212 56.400 0.065 0.000 0.820 128 E CB 0.751 30.481 29.700 0.051 0.000 1.226 128 E HN 0.314 nan 8.360 nan 0.000 0.432 129 I N -0.249 120.351 120.570 0.051 0.000 2.388 129 I HA 0.483 4.653 4.170 -0.000 0.000 0.281 129 I C -0.707 175.432 176.117 0.037 0.000 1.046 129 I CA -0.342 60.983 61.300 0.042 0.000 1.187 129 I CB 1.326 39.352 38.000 0.043 0.000 1.351 129 I HN 0.361 nan 8.210 nan 0.000 0.472 130 T N 2.859 117.432 114.554 0.031 0.000 2.944 130 T HA 0.240 4.590 4.350 -0.000 0.000 0.284 130 T C 0.828 175.542 174.700 0.024 0.000 1.010 130 T CA -0.429 61.688 62.100 0.027 0.000 1.025 130 T CB 1.754 70.636 68.868 0.025 0.000 1.079 130 T HN 0.509 nan 8.240 nan 0.000 0.516 131 D N 0.958 121.371 120.400 0.021 0.000 2.178 131 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 131 D C 1.322 177.633 176.300 0.018 0.000 0.980 131 D CA 1.187 55.198 54.000 0.019 0.000 0.842 131 D CB 0.108 40.918 40.800 0.017 0.000 0.948 131 D HN 0.521 nan 8.370 nan 0.000 0.472 132 D N 0.636 121.046 120.400 0.018 0.000 2.117 132 D HA -0.094 4.545 4.640 -0.000 0.000 0.198 132 D C 2.378 178.689 176.300 0.018 0.000 0.982 132 D CA 0.485 54.495 54.000 0.017 0.000 0.828 132 D CB -0.007 40.803 40.800 0.017 0.000 0.967 132 D HN 0.116 nan 8.370 nan 0.000 0.464 133 V N 1.664 121.590 119.914 0.021 0.000 2.295 133 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 133 V C 2.732 178.838 176.094 0.019 0.000 1.049 133 V CA 1.081 63.394 62.300 0.022 0.000 1.024 133 V CB -0.569 31.269 31.823 0.026 0.000 0.648 133 V HN 0.168 nan 8.190 nan 0.000 0.447 134 L N -0.298 120.936 121.223 0.018 0.000 2.187 134 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 134 L C 2.563 179.441 176.870 0.014 0.000 1.100 134 L CA 1.594 56.443 54.840 0.015 0.000 0.765 134 L CB -0.533 41.535 42.059 0.015 0.000 0.904 134 L HN 0.442 nan 8.230 nan 0.000 0.437 135 E N -0.379 119.830 120.200 0.015 0.000 2.112 135 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 135 E C 2.018 178.627 176.600 0.015 0.000 0.979 135 E CA 0.750 57.158 56.400 0.014 0.000 0.814 135 E CB 0.140 29.848 29.700 0.013 0.000 0.762 135 E HN 0.528 nan 8.360 nan 0.000 0.460 136 E N 0.712 120.922 120.200 0.017 0.000 2.051 136 E HA -0.103 4.247 4.350 -0.000 0.000 0.189 136 E C 2.217 178.830 176.600 0.020 0.000 0.979 136 E CA 0.338 56.749 56.400 0.019 0.000 0.803 136 E CB 0.029 29.741 29.700 0.020 0.000 0.761 136 E HN 0.149 nan 8.360 nan 0.000 0.451 137 L N 1.451 122.685 121.223 0.019 0.000 2.011 137 L HA -0.246 4.094 4.340 -0.000 0.000 0.225 137 L C -0.430 176.451 176.870 0.019 0.000 1.084 137 L CA 1.890 56.741 54.840 0.018 0.000 0.791 137 L CB -2.025 40.041 42.059 0.012 0.000 0.898 137 L HN 0.232 nan 8.230 nan 0.000 0.440 138 P HA -0.201 nan 4.420 nan 0.000 0.216 138 P C 1.190 178.502 177.300 0.020 0.000 1.150 138 P CA 1.710 64.820 63.100 0.016 0.000 0.843 138 P CB -0.069 31.639 31.700 0.013 0.000 0.787 139 K N -0.314 120.099 120.400 0.022 0.000 2.062 139 K HA -0.015 4.305 4.320 -0.000 0.000 0.205 139 K C 2.177 178.797 176.600 0.034 0.000 1.051 139 K CA 0.926 57.228 56.287 0.024 0.000 0.941 139 K CB -0.730 31.782 32.500 0.021 0.000 0.719 139 K HN -0.013 nan 8.250 nan 0.000 0.440 140 V N 2.197 122.134 119.914 0.037 0.000 2.568 140 V HA -0.221 3.899 4.120 -0.000 0.000 0.253 140 V C 2.101 178.230 176.094 0.059 0.000 1.072 140 V CA 1.489 63.821 62.300 0.052 0.000 1.084 140 V CB -0.492 31.358 31.823 0.045 0.000 0.676 140 V HN 0.273 nan 8.190 nan 0.000 0.469 141 L N -0.899 120.350 121.223 0.044 0.000 2.071 141 L HA -0.066 4.274 4.340 -0.000 0.000 0.201 141 L C 2.586 179.483 176.870 0.044 0.000 1.076 141 L CA 1.292 56.157 54.840 0.042 0.000 0.755 141 L CB -0.495 41.582 42.059 0.029 0.000 0.915 141 L HN 0.240 nan 8.230 nan 0.000 0.445 142 E N 0.231 120.453 120.200 0.036 0.000 2.015 142 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 142 E C 0.692 177.316 176.600 0.041 0.000 0.991 142 E CA 0.787 57.205 56.400 0.031 0.000 0.802 142 E CB -0.010 29.704 29.700 0.022 0.000 0.759 142 E HN 0.134 nan 8.360 nan 0.000 0.447 143 E N 0.953 121.179 120.200 0.043 0.000 2.167 143 E HA 0.218 4.568 4.350 -0.000 0.000 0.284 143 E C -1.252 175.397 176.600 0.083 0.000 1.016 143 E CA -0.244 56.185 56.400 0.048 0.000 0.817 143 E CB 0.403 30.120 29.700 0.030 0.000 1.080 143 E HN 0.015 nan 8.360 nan 0.000 0.397 144 E N 2.008 122.285 120.200 0.127 0.000 7.438 144 E HA -0.082 4.268 4.350 -0.000 0.000 0.230 144 E C -0.209 176.522 176.600 0.218 0.000 0.890 144 E CA 0.846 57.387 56.400 0.235 0.000 1.606 144 E CB -0.737 29.084 29.700 0.202 0.000 0.905 144 E HN 0.650 nan 8.360 nan 0.000 0.266 145 G N 4.224 113.168 108.800 0.241 0.000 3.325 145 G HA2 0.181 4.141 3.960 -0.000 0.000 0.242 145 G HA3 0.181 4.141 3.960 -0.000 0.000 0.242 145 G C 0.323 175.265 174.900 0.070 0.000 1.120 145 G CA -0.284 44.867 45.100 0.085 0.000 1.778 145 G HN 0.391 nan 8.290 nan 0.000 0.610 146 I N 2.450 123.094 120.570 0.124 0.000 2.278 146 I HA 0.120 4.290 4.170 -0.000 0.000 0.296 146 I C 1.238 177.390 176.117 0.058 0.000 1.121 146 I CA 0.053 61.410 61.300 0.095 0.000 1.267 146 I CB -0.074 38.000 38.000 0.123 0.000 1.447 146 I HN 0.177 nan 8.210 nan 0.000 0.509 147 T N 0.147 114.727 114.554 0.044 0.000 3.174 147 T HA 0.191 4.541 4.350 -0.000 0.000 0.269 147 T C 0.448 175.171 174.700 0.037 0.000 1.017 147 T CA -0.425 61.699 62.100 0.039 0.000 0.899 147 T CB -0.247 68.648 68.868 0.045 0.000 1.077 147 T HN 0.493 nan 8.240 nan 0.000 0.552 148 S N 1.473 117.216 115.700 0.073 0.000 2.774 148 S HA 0.707 5.177 4.470 -0.000 0.000 0.297 148 S C -0.367 174.271 174.600 0.063 0.000 1.143 148 S CA -0.993 57.261 58.200 0.090 0.000 1.090 148 S CB 0.854 64.234 63.200 0.301 0.000 1.019 148 S HN 0.369 nan 8.310 nan 0.000 0.482 152 F N 4.295 124.342 119.950 0.160 0.000 2.405 152 F HA 0.513 5.040 4.527 -0.000 0.000 0.355 152 F C 1.399 177.302 175.800 0.172 0.000 1.121 152 F CA -0.578 57.531 58.000 0.182 0.000 1.112 152 F CB 1.659 40.794 39.000 0.225 0.000 1.126 152 F HN 0.449 nan 8.300 nan 0.000 0.481 153 M N 1.951 121.724 119.600 0.288 0.000 2.541 153 M HA 0.238 4.718 4.480 -0.000 0.000 0.252 153 M C 0.757 177.178 176.300 0.201 0.000 1.125 153 M CA 0.289 55.712 55.300 0.206 0.000 1.091 153 M CB -0.031 32.652 32.600 0.138 0.000 1.420 153 M HN 0.622 nan 8.290 nan 0.000 0.486 154 A N -1.250 121.704 122.820 0.225 0.000 2.616 154 A HA 0.620 4.940 4.320 -0.000 0.000 0.253 154 A C -0.784 176.897 177.584 0.162 0.000 1.239 154 A CA -0.475 51.616 52.037 0.090 0.000 0.914 154 A CB 0.367 19.324 19.000 -0.072 0.000 1.454 154 A HN 0.417 nan 8.150 nan 0.000 0.460 155 Y N -1.258 119.138 120.300 0.160 0.000 3.233 155 Y HA -0.143 4.407 4.550 -0.000 0.000 0.201 155 Y C 0.540 176.518 175.900 0.129 0.000 1.486 155 Y CA 0.702 58.886 58.100 0.141 0.000 1.326 155 Y CB -1.923 36.626 38.460 0.148 0.000 1.460 155 Y HN 0.754 nan 8.280 nan 0.000 0.512 156 K N 2.082 122.623 120.400 0.236 0.000 2.561 156 K HA -0.040 4.280 4.320 -0.000 0.000 0.280 156 K C 0.952 177.619 176.600 0.112 0.000 0.975 156 K CA 0.878 57.262 56.287 0.161 0.000 1.024 156 K CB 0.134 32.718 32.500 0.140 0.000 0.883 156 K HN 0.549 nan 8.250 nan 0.000 0.496 157 N N 1.236 119.977 118.700 0.068 0.000 2.714 157 N HA -0.190 4.550 4.740 -0.000 0.000 0.250 157 N C -0.139 175.335 175.510 -0.060 0.000 1.117 157 N CA 1.013 54.068 53.050 0.008 0.000 0.719 157 N CB -1.154 37.337 38.487 0.007 0.000 1.081 157 N HN 0.390 nan 8.380 nan 0.000 0.557 158 V N -3.466 116.396 119.914 -0.088 0.000 3.110 158 V HA 0.231 4.351 4.120 -0.000 0.000 0.233 158 V C 0.675 176.334 176.094 -0.725 0.000 1.550 158 V CA 0.501 62.591 62.300 -0.350 0.000 1.186 158 V CB 0.152 31.837 31.823 -0.229 0.000 1.052 158 V HN 0.176 nan 8.190 nan 0.000 0.452 159 F N -0.846 119.053 119.950 -0.085 0.000 2.828 159 F HA 0.345 4.872 4.527 -0.000 0.000 0.368 159 F C 0.987 176.855 175.800 0.113 0.000 0.877 159 F CA -0.408 57.517 58.000 -0.125 0.000 1.071 159 F CB 0.375 38.980 39.000 -0.659 0.000 1.006 159 F HN -0.049 nan 8.300 nan 0.000 0.598 160 Q N 1.976 121.973 119.800 0.330 0.000 2.352 160 Q HA 0.349 4.689 4.340 -0.000 0.000 0.326 160 Q C -0.504 175.628 176.000 0.219 0.000 1.135 160 Q CA 0.512 56.489 55.803 0.290 0.000 1.000 160 Q CB 0.725 29.594 28.738 0.219 0.000 1.237 160 Q HN 0.310 nan 8.270 nan 0.000 0.409 161 A N 3.347 126.290 122.820 0.205 0.000 2.455 161 A HA 0.429 4.749 4.320 -0.000 0.000 0.300 161 A C -1.352 176.308 177.584 0.127 0.000 1.040 161 A CA -0.749 51.381 52.037 0.155 0.000 0.697 161 A CB 1.173 20.271 19.000 0.164 0.000 1.265 161 A HN 0.900 nan 8.150 nan 0.000 0.407 162 D N 0.867 121.329 120.400 0.102 0.000 2.363 162 D HA 0.166 4.806 4.640 -0.000 0.000 0.240 162 D C 0.130 176.485 176.300 0.092 0.000 1.236 162 D CA -0.228 53.825 54.000 0.087 0.000 0.927 162 D CB 0.613 41.455 40.800 0.071 0.000 1.150 162 D HN 0.361 nan 8.370 nan 0.000 0.458 163 D N 0.602 121.050 120.400 0.081 0.000 2.218 163 D HA -0.087 4.553 4.640 -0.000 0.000 0.204 163 D C 2.133 178.507 176.300 0.123 0.000 0.976 163 D CA 1.391 55.446 54.000 0.092 0.000 0.853 163 D CB -0.525 40.313 40.800 0.063 0.000 0.939 163 D HN 0.688 nan 8.370 nan 0.000 0.481 164 G N 0.383 109.242 108.800 0.100 0.000 2.421 164 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 164 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 164 G C 1.728 176.716 174.900 0.146 0.000 1.171 164 G CA 1.297 46.469 45.100 0.120 0.000 0.775 164 G HN 0.218 nan 8.290 nan 0.000 0.543 165 T N 1.155 115.776 114.554 0.111 0.000 2.746 165 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 165 T C 2.237 176.995 174.700 0.096 0.000 1.039 165 T CA 1.160 63.319 62.100 0.098 0.000 1.142 165 T CB -0.239 68.685 68.868 0.094 0.000 0.866 165 T HN 0.124 nan 8.240 nan 0.000 0.444 166 L N 0.377 121.664 121.223 0.108 0.000 2.017 166 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 166 L C 2.133 179.051 176.870 0.079 0.000 1.073 166 L CA 1.711 56.605 54.840 0.089 0.000 0.745 166 L CB -0.997 41.120 42.059 0.098 0.000 0.894 166 L HN 0.314 nan 8.230 nan 0.000 0.432 167 Y N -0.657 119.657 120.300 0.024 0.000 2.097 167 Y HA -0.327 4.223 4.550 -0.000 0.000 0.282 167 Y C 2.697 178.606 175.900 0.015 0.000 1.152 167 Y CA 2.251 60.361 58.100 0.017 0.000 1.136 167 Y CB -0.677 37.792 38.460 0.016 0.000 0.975 167 Y HN 0.291 nan 8.280 nan 0.000 0.498 168 C N -0.115 119.205 119.300 0.034 0.000 2.419 168 C HA -0.160 4.300 4.460 -0.000 0.000 0.281 168 C C 2.617 177.551 174.990 -0.092 0.000 1.336 168 C CA 1.758 60.753 59.018 -0.038 0.000 1.770 168 C CB -1.356 26.423 27.740 0.066 0.000 1.929 168 C HN 0.676 nan 8.230 nan 0.000 0.509 169 T N 1.250 115.770 114.554 -0.057 0.000 2.737 169 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 169 T C 1.725 176.362 174.700 -0.105 0.000 1.038 169 T CA 1.137 63.206 62.100 -0.051 0.000 1.144 169 T CB -0.266 68.594 68.868 -0.014 0.000 0.866 169 T HN 0.457 nan 8.240 nan 0.000 0.434 170 L N 0.478 121.607 121.223 -0.157 0.000 2.042 170 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 170 L C 2.460 179.200 176.870 -0.217 0.000 1.076 170 L CA 1.250 55.977 54.840 -0.189 0.000 0.749 170 L CB -0.640 41.283 42.059 -0.226 0.000 0.893 170 L HN 0.272 nan 8.230 nan 0.000 0.432 171 L N -0.776 120.266 121.223 -0.302 0.000 1.976 171 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 171 L C 2.931 179.726 176.870 -0.124 0.000 1.071 171 L CA 1.259 55.962 54.840 -0.227 0.000 0.746 171 L CB -1.031 40.883 42.059 -0.243 0.000 0.890 171 L HN 0.229 nan 8.230 nan 0.000 0.432 172 A N 0.366 123.126 122.820 -0.100 0.000 1.903 172 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 172 A C 2.544 180.092 177.584 -0.060 0.000 1.191 172 A CA 2.425 54.427 52.037 -0.058 0.000 0.638 172 A CB -0.949 18.027 19.000 -0.039 0.000 0.823 172 A HN 0.466 nan 8.150 nan 0.000 0.451 173 A N -0.442 122.329 122.820 -0.081 0.000 1.865 173 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 173 A C 2.160 179.688 177.584 -0.094 0.000 1.191 173 A CA 2.229 54.210 52.037 -0.094 0.000 0.623 173 A CB -0.563 18.364 19.000 -0.121 0.000 0.826 173 A HN 0.600 nan 8.150 nan 0.000 0.444 174 K N -0.318 120.026 120.400 -0.094 0.000 2.063 174 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 174 K C 2.115 178.697 176.600 -0.031 0.000 1.048 174 K CA 1.871 58.120 56.287 -0.063 0.000 0.928 174 K CB -0.200 32.264 32.500 -0.061 0.000 0.713 174 K HN 0.654 nan 8.250 nan 0.000 0.442 175 E N 0.466 120.645 120.200 -0.035 0.000 2.017 175 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 175 E C 2.053 178.648 176.600 -0.008 0.000 0.997 175 E CA 1.365 57.755 56.400 -0.017 0.000 0.804 175 E CB -0.069 29.619 29.700 -0.021 0.000 0.757 175 E HN 0.336 nan 8.360 nan 0.000 0.448 176 L N -0.573 120.641 121.223 -0.015 0.000 2.291 176 L HA 0.048 4.388 4.340 -0.000 0.000 0.214 176 L C 1.264 178.137 176.870 0.004 0.000 1.120 176 L CA 0.603 55.441 54.840 -0.005 0.000 0.799 176 L CB -0.149 41.905 42.059 -0.008 0.000 0.925 176 L HN 0.491 nan 8.230 nan 0.000 0.446 177 G N 0.258 109.056 108.800 -0.003 0.000 2.356 177 G HA2 -0.011 3.948 3.960 -0.000 0.000 0.233 177 G HA3 -0.011 3.948 3.960 -0.000 0.000 0.233 177 G C -0.125 174.772 174.900 -0.004 0.000 1.105 177 G CA -0.080 45.037 45.100 0.029 0.000 0.861 177 G HN 0.528 nan 8.290 nan 0.000 0.493 178 A N -0.672 122.084 122.820 -0.106 0.000 2.430 178 A HA 0.959 5.279 4.320 -0.000 0.000 0.300 178 A C -0.533 176.833 177.584 -0.362 0.000 1.124 178 A CA -0.794 51.150 52.037 -0.155 0.000 0.766 178 A CB 1.902 20.853 19.000 -0.081 0.000 1.328 178 A HN 1.603 nan 8.150 nan 0.000 0.424 179 L N 1.418 122.425 121.223 -0.361 0.000 2.296 179 L HA 0.621 4.961 4.340 -0.000 0.000 0.286 179 L C -0.718 176.032 176.870 -0.200 0.000 1.023 179 L CA -0.286 54.288 54.840 -0.443 0.000 0.812 179 L CB 1.469 43.227 42.059 -0.502 0.000 1.223 179 L HN 0.397 nan 8.230 nan 0.000 0.421 180 V N 6.669 126.495 119.914 -0.148 0.000 2.461 180 V HA 0.362 4.482 4.120 -0.000 0.000 0.275 180 V C 0.534 176.625 176.094 -0.005 0.000 1.047 180 V CA -0.184 62.078 62.300 -0.065 0.000 0.955 180 V CB 0.960 32.750 31.823 -0.054 0.000 0.988 180 V HN 0.797 nan 8.190 nan 0.000 0.471 181 M N 4.889 124.487 119.600 -0.004 0.000 2.537 181 M HA 0.694 5.174 4.480 -0.000 0.000 0.324 181 M C -1.016 175.277 176.300 -0.012 0.000 1.187 181 M CA -0.712 54.617 55.300 0.049 0.000 0.993 181 M CB 2.178 34.772 32.600 -0.010 0.000 1.666 181 M HN 0.357 nan 8.290 nan 0.000 0.461 182 V N 0.480 120.382 119.914 -0.021 0.000 2.808 182 V HA 0.221 4.341 4.120 -0.000 0.000 0.308 182 V C -1.305 174.708 176.094 -0.135 0.000 1.099 182 V CA -0.739 61.513 62.300 -0.080 0.000 0.920 182 V CB 2.021 33.827 31.823 -0.028 0.000 1.014 182 V HN 0.862 nan 8.190 nan 0.000 0.425 183 H N 3.677 122.605 119.070 -0.236 0.000 2.787 183 H HA 0.657 5.213 4.556 -0.000 0.000 0.275 183 H C 0.329 175.652 175.328 -0.008 0.000 1.183 183 H CA -0.070 55.905 56.048 -0.122 0.000 1.290 183 H CB 0.916 30.634 29.762 -0.073 0.000 1.438 183 H HN 0.858 nan 8.280 nan 0.000 0.487 184 A N 5.431 128.176 122.820 -0.125 0.000 2.805 184 A HA 0.240 4.560 4.320 -0.000 0.000 0.301 184 A C -0.208 177.339 177.584 -0.062 0.000 1.557 184 A CA -0.255 51.747 52.037 -0.059 0.000 1.254 184 A CB -0.238 18.717 19.000 -0.075 0.000 1.114 184 A HN 0.869 nan 8.150 nan 0.000 0.553 185 E N 1.221 121.440 120.200 0.033 0.000 2.308 185 E HA 0.113 4.463 4.350 -0.000 0.000 0.275 185 E C -1.007 175.624 176.600 0.051 0.000 0.890 185 E CA -0.804 55.608 56.400 0.020 0.000 0.754 185 E CB 1.433 31.154 29.700 0.035 0.000 1.207 185 E HN 0.599 nan 8.360 nan 0.000 0.426 186 N N 2.367 121.084 118.700 0.028 0.000 2.498 186 N HA -0.008 4.732 4.740 -0.000 0.000 0.277 186 N C 0.901 176.443 175.510 0.054 0.000 1.208 186 N CA 0.259 53.332 53.050 0.038 0.000 1.029 186 N CB 0.666 39.164 38.487 0.019 0.000 1.403 186 N HN 0.782 nan 8.380 nan 0.000 0.500 187 G N 2.813 111.658 108.800 0.076 0.000 2.513 187 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 187 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 187 G C 1.082 176.048 174.900 0.110 0.000 1.160 187 G CA 0.670 45.826 45.100 0.094 0.000 0.767 187 G HN 0.540 nan 8.290 nan 0.000 0.571 188 D N 0.066 120.523 120.400 0.096 0.000 2.149 188 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 188 D C 2.755 179.111 176.300 0.093 0.000 0.990 188 D CA 1.026 55.089 54.000 0.104 0.000 0.839 188 D CB -0.296 40.532 40.800 0.047 0.000 0.948 188 D HN 0.277 nan 8.370 nan 0.000 0.460 189 V N 1.297 121.234 119.914 0.038 0.000 2.346 189 V HA -0.144 3.976 4.120 -0.000 0.000 0.244 189 V C 2.580 178.738 176.094 0.108 0.000 1.037 189 V CA 0.744 63.058 62.300 0.022 0.000 1.029 189 V CB -0.310 31.510 31.823 -0.006 0.000 0.663 189 V HN 0.143 nan 8.190 nan 0.000 0.454 190 I N 0.602 121.231 120.570 0.099 0.000 2.248 190 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 190 I C 2.476 178.694 176.117 0.168 0.000 1.107 190 I CA 2.067 63.435 61.300 0.114 0.000 1.373 190 I CB -0.520 37.534 38.000 0.090 0.000 1.055 190 I HN 0.474 nan 8.210 nan 0.000 0.418 191 D N 0.676 121.193 120.400 0.194 0.000 2.087 191 D HA -0.245 4.395 4.640 -0.000 0.000 0.192 191 D C 2.198 178.641 176.300 0.238 0.000 0.993 191 D CA 1.890 56.018 54.000 0.213 0.000 0.828 191 D CB -0.095 40.846 40.800 0.235 0.000 0.968 191 D HN 0.269 nan 8.370 nan 0.000 0.448 192 Y N 1.154 121.491 120.300 0.061 0.000 2.165 192 Y HA -0.128 4.422 4.550 -0.000 0.000 0.286 192 Y C 2.620 178.561 175.900 0.068 0.000 1.155 192 Y CA 0.677 58.809 58.100 0.055 0.000 1.164 192 Y CB -0.710 37.776 38.460 0.045 0.000 0.978 192 Y HN 0.030 nan 8.280 nan 0.000 0.513 193 L N -1.207 120.165 121.223 0.248 0.000 2.012 193 L HA -0.299 4.041 4.340 -0.000 0.000 0.210 193 L C 2.365 179.353 176.870 0.197 0.000 1.073 193 L CA 1.931 56.882 54.840 0.183 0.000 0.748 193 L CB -1.065 41.084 42.059 0.149 0.000 0.891 193 L HN 0.206 nan 8.230 nan 0.000 0.431 194 T N -0.324 114.362 114.554 0.219 0.000 2.652 194 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 194 T C 1.919 176.719 174.700 0.166 0.000 1.039 194 T CA 1.428 63.692 62.100 0.273 0.000 1.153 194 T CB -0.080 68.918 68.868 0.218 0.000 0.863 194 T HN 0.281 nan 8.240 nan 0.000 0.428 195 K N 0.838 121.284 120.400 0.076 0.000 2.032 195 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 195 K C 2.435 179.049 176.600 0.022 0.000 1.048 195 K CA 1.305 57.593 56.287 0.003 0.000 0.927 195 K CB -0.196 32.258 32.500 -0.076 0.000 0.712 195 K HN 0.247 nan 8.250 nan 0.000 0.441 196 K N 0.897 121.328 120.400 0.052 0.000 2.057 196 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 196 K C 2.196 178.828 176.600 0.054 0.000 1.049 196 K CA 1.227 57.544 56.287 0.050 0.000 0.931 196 K CB -0.139 32.406 32.500 0.076 0.000 0.714 196 K HN 0.139 nan 8.250 nan 0.000 0.440 197 A N 1.741 124.622 122.820 0.101 0.000 1.884 197 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 197 A C 2.175 179.784 177.584 0.041 0.000 1.197 197 A CA 1.826 53.910 52.037 0.080 0.000 0.637 197 A CB -0.880 18.260 19.000 0.233 0.000 0.827 197 A HN 0.347 nan 8.150 nan 0.000 0.450 198 L N -0.918 120.363 121.223 0.097 0.000 2.012 198 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 198 L C 3.068 179.932 176.870 -0.010 0.000 1.073 198 L CA 1.208 56.065 54.840 0.028 0.000 0.748 198 L CB -0.703 41.337 42.059 -0.031 0.000 0.891 198 L HN 0.454 nan 8.230 nan 0.000 0.431 199 A N -0.578 122.236 122.820 -0.009 0.000 2.084 199 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 199 A C 1.494 179.067 177.584 -0.018 0.000 1.161 199 A CA 1.925 53.952 52.037 -0.016 0.000 0.653 199 A CB -0.404 18.588 19.000 -0.012 0.000 0.802 199 A HN 0.440 nan 8.150 nan 0.000 0.457 200 D N -1.888 118.496 120.400 -0.027 0.000 2.402 200 D HA 0.315 4.955 4.640 -0.000 0.000 0.216 200 D C 1.293 177.556 176.300 -0.062 0.000 1.128 200 D CA 0.853 54.830 54.000 -0.037 0.000 0.833 200 D CB 0.222 41.001 40.800 -0.036 0.000 0.971 200 D HN 0.538 nan 8.370 nan 0.000 0.503 201 G N 1.548 110.311 108.800 -0.061 0.000 2.179 201 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 201 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 201 G C 0.209 175.034 174.900 -0.125 0.000 0.977 201 G CA -0.393 44.669 45.100 -0.062 0.000 0.641 201 G HN 0.239 nan 8.290 nan 0.000 0.533 202 N N 1.387 119.915 118.700 -0.286 0.000 2.421 202 N HA 0.316 5.056 4.740 -0.000 0.000 0.260 202 N C 1.325 176.655 175.510 -0.301 0.000 1.173 202 N CA 0.997 53.594 53.050 -0.755 0.000 0.960 202 N CB 1.094 38.564 38.487 -1.694 0.000 1.273 202 N HN 0.618 nan 8.380 nan 0.000 0.497 203 T N -3.325 111.246 114.554 0.028 0.000 2.975 203 T HA 0.081 4.431 4.350 -0.000 0.000 0.257 203 T C 0.412 175.404 174.700 0.488 0.000 1.003 203 T CA -0.319 62.005 62.100 0.373 0.000 0.932 203 T CB 0.431 69.422 68.868 0.204 0.000 1.087 203 T HN 0.108 nan 8.240 nan 0.000 0.512 204 D N 3.245 123.886 120.400 0.401 0.000 2.390 204 D HA 0.110 4.750 4.640 -0.000 0.000 0.236 204 D C -1.526 174.928 176.300 0.257 0.000 1.189 204 D CA -1.529 52.677 54.000 0.344 0.000 0.887 204 D CB 0.817 41.785 40.800 0.281 0.000 1.198 204 D HN 0.057 nan 8.370 nan 0.000 0.444 205 P HA -0.132 nan 4.420 nan 0.000 0.217 205 P C 1.649 178.914 177.300 -0.057 0.000 1.148 205 P CA 0.694 63.809 63.100 0.025 0.000 0.834 205 P CB 0.211 31.837 31.700 -0.123 0.000 0.783 206 I N -2.060 118.436 120.570 -0.124 0.000 2.361 206 I HA -0.259 3.911 4.170 -0.000 0.000 0.251 206 I C 1.479 177.349 176.117 -0.412 0.000 1.133 206 I CA 1.392 62.537 61.300 -0.258 0.000 1.413 206 I CB -0.169 37.633 38.000 -0.331 0.000 1.073 206 I HN -0.046 nan 8.210 nan 0.000 0.424 207 Y N -0.548 119.523 120.300 -0.381 0.000 2.574 207 Y HA -0.256 4.294 4.550 -0.000 0.000 0.294 207 Y C 2.378 177.756 175.900 -0.870 0.000 1.142 207 Y CA 1.378 59.105 58.100 -0.621 0.000 1.314 207 Y CB -0.622 37.385 38.460 -0.755 0.000 0.991 207 Y HN 0.388 nan 8.280 nan 0.000 0.555 208 H N -0.264 118.407 119.070 -0.666 0.000 2.389 208 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 208 H C 2.117 177.375 175.328 -0.116 0.000 1.081 208 H CA 1.443 57.330 56.048 -0.267 0.000 1.345 208 H CB -0.019 29.742 29.762 -0.001 0.000 1.393 208 H HN 0.205 nan 8.280 nan 0.000 0.520 209 A N 0.579 123.245 122.820 -0.258 0.000 1.874 209 A HA 0.033 4.353 4.320 -0.000 0.000 0.214 209 A C 2.446 179.916 177.584 -0.190 0.000 1.189 209 A CA 1.088 52.983 52.037 -0.237 0.000 0.615 209 A CB -0.745 18.169 19.000 -0.142 0.000 0.830 209 A HN 0.435 nan 8.150 nan 0.000 0.443 210 L N -0.738 120.371 121.223 -0.191 0.000 2.191 210 L HA -0.123 4.216 4.340 -0.000 0.000 0.212 210 L C 2.510 179.351 176.870 -0.049 0.000 1.103 210 L CA 1.511 56.279 54.840 -0.120 0.000 0.769 210 L CB -0.760 41.204 42.059 -0.158 0.000 0.908 210 L HN 0.335 nan 8.230 nan 0.000 0.438 211 T N 0.247 114.764 114.554 -0.063 0.000 3.072 211 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 211 T C 0.834 175.545 174.700 0.019 0.000 1.127 211 T CA 0.470 62.590 62.100 0.033 0.000 1.107 211 T CB -0.074 68.861 68.868 0.112 0.000 0.910 211 T HN 0.413 nan 8.240 nan 0.000 0.513 212 R N 1.437 121.904 120.500 -0.054 0.000 2.718 212 R HA 0.310 4.650 4.340 -0.000 0.000 0.266 212 R C -3.321 172.939 176.300 -0.068 0.000 1.776 212 R CA -1.726 54.343 56.100 -0.052 0.000 1.567 212 R CB 0.481 30.731 30.300 -0.082 0.000 1.336 212 R HN 0.101 nan 8.270 nan 0.000 0.619 213 P HA 0.047 nan 4.420 nan 0.000 0.267 213 P C -1.724 175.545 177.300 -0.051 0.000 1.200 213 P CA -0.789 62.291 63.100 -0.034 0.000 0.772 213 P CB 0.874 32.574 31.700 0.000 0.000 0.855 214 P HA -0.175 nan 4.420 nan 0.000 0.221 214 P C 1.088 178.363 177.300 -0.042 0.000 1.145 214 P CA 1.427 64.467 63.100 -0.100 0.000 0.795 214 P CB 0.163 31.771 31.700 -0.154 0.000 0.775 215 E N 0.343 120.542 120.200 -0.002 0.000 2.085 215 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 215 E C 2.137 178.733 176.600 -0.007 0.000 0.994 215 E CA 1.097 57.503 56.400 0.011 0.000 0.801 215 E CB -1.050 28.663 29.700 0.022 0.000 0.743 215 E HN 0.296 nan 8.360 nan 0.000 0.453 216 L N 0.366 121.580 121.223 -0.015 0.000 2.291 216 L HA -0.090 4.250 4.340 -0.000 0.000 0.214 216 L C 2.435 179.286 176.870 -0.031 0.000 1.120 216 L CA 0.946 55.777 54.840 -0.016 0.000 0.799 216 L CB -0.261 41.792 42.059 -0.010 0.000 0.925 216 L HN 0.173 nan 8.230 nan 0.000 0.446 217 E N 0.514 120.681 120.200 -0.056 0.000 2.086 217 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 217 E C 2.218 178.780 176.600 -0.064 0.000 0.975 217 E CA 0.862 57.214 56.400 -0.081 0.000 0.813 217 E CB -0.007 29.614 29.700 -0.131 0.000 0.768 217 E HN 0.400 nan 8.360 nan 0.000 0.457 218 G N 1.500 110.270 108.800 -0.049 0.000 2.421 218 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 218 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 218 G C 1.491 176.378 174.900 -0.022 0.000 1.171 218 G CA 0.732 45.813 45.100 -0.032 0.000 0.775 218 G HN 0.220 nan 8.290 nan 0.000 0.543 219 E N 1.376 121.567 120.200 -0.014 0.000 2.033 219 E HA -0.195 4.155 4.350 -0.000 0.000 0.199 219 E C 2.859 179.454 176.600 -0.007 0.000 1.011 219 E CA 1.585 57.980 56.400 -0.007 0.000 0.815 219 E CB -0.688 29.010 29.700 -0.004 0.000 0.755 219 E HN 0.242 nan 8.360 nan 0.000 0.451 220 A N 0.283 123.098 122.820 -0.008 0.000 1.873 220 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 220 A C 2.527 180.105 177.584 -0.011 0.000 1.193 220 A CA 2.828 54.864 52.037 -0.001 0.000 0.629 220 A CB -1.277 17.724 19.000 0.002 0.000 0.826 220 A HN 0.436 nan 8.150 nan 0.000 0.447 221 T N -0.198 114.338 114.554 -0.030 0.000 2.737 221 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 221 T C 1.881 176.565 174.700 -0.027 0.000 1.040 221 T CA 1.539 63.615 62.100 -0.040 0.000 1.142 221 T CB -0.658 68.174 68.868 -0.059 0.000 0.861 221 T HN 0.638 nan 8.240 nan 0.000 0.456 222 G N 1.560 110.349 108.800 -0.019 0.000 2.421 222 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 222 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 222 G C 1.705 176.604 174.900 -0.003 0.000 1.171 222 G CA 0.301 45.394 45.100 -0.013 0.000 0.775 222 G HN 0.402 nan 8.290 nan 0.000 0.543 223 R N 0.701 121.204 120.500 0.005 0.000 2.097 223 R HA -0.103 4.237 4.340 -0.000 0.000 0.236 223 R C 3.047 179.362 176.300 0.026 0.000 1.135 223 R CA 1.367 57.477 56.100 0.017 0.000 0.934 223 R CB -0.812 29.502 30.300 0.024 0.000 0.846 223 R HN 0.330 nan 8.270 nan 0.000 0.431 224 A N 1.115 123.947 122.820 0.020 0.000 1.903 224 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 224 A C 2.596 180.190 177.584 0.016 0.000 1.191 224 A CA 2.002 54.052 52.037 0.021 0.000 0.638 224 A CB -1.099 17.904 19.000 0.004 0.000 0.823 224 A HN 0.509 nan 8.150 nan 0.000 0.451 225 C N -1.286 118.015 119.300 0.001 0.000 2.473 225 C HA -0.121 4.339 4.460 -0.000 0.000 0.279 225 C C 2.936 177.930 174.990 0.007 0.000 1.250 225 C CA 1.172 60.186 59.018 -0.008 0.000 1.713 225 C CB -1.470 26.255 27.740 -0.025 0.000 2.066 225 C HN 0.704 nan 8.230 nan 0.000 0.474 226 Q N 0.338 120.145 119.800 0.012 0.000 2.077 226 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 226 Q C 2.201 178.233 176.000 0.052 0.000 0.989 226 Q CA 1.518 57.334 55.803 0.021 0.000 0.853 226 Q CB -0.363 28.384 28.738 0.015 0.000 0.907 226 Q HN 0.673 nan 8.270 nan 0.000 0.418 227 L N 0.051 121.319 121.223 0.075 0.000 2.017 227 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 227 L C 2.449 179.398 176.870 0.131 0.000 1.073 227 L CA 1.364 56.297 54.840 0.154 0.000 0.745 227 L CB -0.855 41.314 42.059 0.183 0.000 0.894 227 L HN 0.277 nan 8.230 nan 0.000 0.432 228 T N -0.949 113.640 114.554 0.059 0.000 2.803 228 T HA -0.253 4.097 4.350 -0.000 0.000 0.269 228 T C 1.711 176.424 174.700 0.022 0.000 1.052 228 T CA 1.620 63.731 62.100 0.019 0.000 1.136 228 T CB -0.142 68.727 68.868 0.003 0.000 0.864 228 T HN 0.425 nan 8.240 nan 0.000 0.467 229 E N 0.536 120.756 120.200 0.034 0.000 2.015 229 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 229 E C 2.230 178.865 176.600 0.057 0.000 0.991 229 E CA 0.818 57.235 56.400 0.029 0.000 0.802 229 E CB -0.244 29.468 29.700 0.019 0.000 0.759 229 E HN 0.290 nan 8.360 nan 0.000 0.447 230 L N 1.255 122.537 121.223 0.099 0.000 1.997 230 L HA -0.210 4.130 4.340 -0.000 0.000 0.216 230 L C 2.360 179.347 176.870 0.194 0.000 1.074 230 L CA 2.577 57.509 54.840 0.154 0.000 0.763 230 L CB -0.742 41.444 42.059 0.211 0.000 0.890 230 L HN 0.256 nan 8.230 nan 0.000 0.434 231 A N -1.180 121.749 122.820 0.181 0.000 2.067 231 A HA 0.185 4.505 4.320 -0.000 0.000 0.219 231 A C 1.834 179.406 177.584 -0.020 0.000 1.158 231 A CA 1.054 53.081 52.037 -0.018 0.000 0.661 231 A CB -1.108 17.715 19.000 -0.294 0.000 0.801 231 A HN 1.025 nan 8.150 nan 0.000 0.452 232 G N -0.528 108.277 108.800 0.008 0.000 2.160 232 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.251 232 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.251 232 G C 0.554 175.449 174.900 -0.008 0.000 1.008 232 G CA 1.231 46.334 45.100 0.005 0.000 0.724 232 G HN 1.474 nan 8.290 nan 0.000 0.514 233 S N -0.942 114.740 115.700 -0.030 0.000 2.496 233 S HA 0.811 5.281 4.470 -0.000 0.000 0.260 233 S C 0.017 174.610 174.600 -0.013 0.000 1.122 233 S CA 0.173 58.350 58.200 -0.039 0.000 1.019 233 S CB 1.057 64.203 63.200 -0.091 0.000 1.226 233 S HN 0.995 nan 8.310 nan 0.000 0.502 234 Q N 0.408 120.177 119.800 -0.052 0.000 2.353 234 Q HA 0.720 5.060 4.340 -0.000 0.000 0.268 234 Q C -1.622 174.381 176.000 0.005 0.000 1.045 234 Q CA -0.840 54.965 55.803 0.004 0.000 0.811 234 Q CB 1.679 30.392 28.738 -0.041 0.000 1.305 234 Q HN 0.554 nan 8.270 nan 0.000 0.447 235 L N 2.374 123.659 121.223 0.103 0.000 2.319 235 L HA 0.635 4.975 4.340 -0.000 0.000 0.267 235 L C -1.778 175.259 176.870 0.278 0.000 1.011 235 L CA -0.889 54.019 54.840 0.114 0.000 0.818 235 L CB 1.949 44.037 42.059 0.048 0.000 1.316 235 L HN 0.697 nan 8.230 nan 0.000 0.432 236 Y N 3.558 123.900 120.300 0.070 0.000 2.359 236 Y HA 0.525 5.075 4.550 -0.000 0.000 0.336 236 Y C -1.370 174.542 175.900 0.020 0.000 1.098 236 Y CA -0.917 57.243 58.100 0.101 0.000 1.272 236 Y CB 1.157 39.639 38.460 0.037 0.000 1.112 236 Y HN 0.292 nan 8.280 nan 0.000 0.481 237 V N 7.127 126.950 119.914 -0.151 0.000 2.439 237 V HA 0.242 4.362 4.120 -0.000 0.000 0.271 237 V C 0.468 176.388 176.094 -0.290 0.000 1.040 237 V CA -0.307 61.890 62.300 -0.172 0.000 1.002 237 V CB 0.395 32.122 31.823 -0.161 0.000 1.000 237 V HN 0.616 nan 8.190 nan 0.000 0.477 238 V N 3.170 122.938 119.914 -0.244 0.000 2.834 238 V HA 0.452 4.572 4.120 -0.000 0.000 0.301 238 V C 0.527 176.308 176.094 -0.520 0.000 1.066 238 V CA -0.555 61.567 62.300 -0.296 0.000 1.052 238 V CB 0.380 31.982 31.823 -0.368 0.000 1.021 238 V HN 1.299 nan 8.190 nan 0.000 0.480 239 H N 0.545 119.666 119.070 0.086 0.000 2.252 239 H HA -0.122 4.434 4.556 -0.000 0.000 0.314 239 H C -0.499 174.670 175.328 -0.265 0.000 0.918 239 H CA 0.350 56.372 56.048 -0.043 0.000 1.042 239 H CB -2.638 27.150 29.762 0.044 0.000 1.604 239 H HN 0.701 nan 8.280 nan 0.000 0.331 240 V N 2.543 122.386 119.914 -0.117 0.000 2.521 240 V HA 0.070 4.190 4.120 -0.000 0.000 0.286 240 V C 1.315 177.227 176.094 -0.302 0.000 1.034 240 V CA 0.822 63.012 62.300 -0.184 0.000 1.045 240 V CB 1.259 32.990 31.823 -0.154 0.000 0.974 240 V HN 0.937 nan 8.190 nan 0.000 0.480 241 T N 3.049 117.372 114.554 -0.384 0.000 3.151 241 T HA 0.074 4.424 4.350 -0.000 0.000 0.239 241 T C 0.768 175.250 174.700 -0.364 0.000 0.979 241 T CA 0.754 62.548 62.100 -0.510 0.000 1.194 241 T CB 0.360 68.820 68.868 -0.679 0.000 0.982 241 T HN 0.877 nan 8.240 nan 0.000 0.428 242 C N 1.358 120.444 119.300 -0.356 0.000 2.345 242 C HA 0.932 5.392 4.460 -0.000 0.000 0.369 242 C C 2.246 177.190 174.990 -0.077 0.000 1.273 242 C CA -0.631 58.149 59.018 -0.396 0.000 2.310 242 C CB 0.419 27.894 27.740 -0.440 0.000 2.219 242 C HN 0.506 nan 8.230 nan 0.000 0.587 243 A N 0.051 122.983 122.820 0.186 0.000 1.873 243 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 243 A C 2.101 179.730 177.584 0.075 0.000 1.186 243 A CA 1.993 54.096 52.037 0.109 0.000 0.616 243 A CB -1.030 18.037 19.000 0.113 0.000 0.823 243 A HN 0.958 nan 8.150 nan 0.000 0.442 244 Q N 0.098 119.956 119.800 0.097 0.000 2.133 244 Q HA -0.192 4.148 4.340 -0.000 0.000 0.208 244 Q C 2.269 178.271 176.000 0.002 0.000 0.991 244 Q CA 2.258 58.094 55.803 0.056 0.000 0.867 244 Q CB -0.675 28.094 28.738 0.052 0.000 0.911 244 Q HN 0.684 nan 8.270 nan 0.000 0.417 245 A N -0.089 122.709 122.820 -0.036 0.000 1.873 245 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 245 A C 2.349 179.899 177.584 -0.057 0.000 1.186 245 A CA 1.540 53.539 52.037 -0.063 0.000 0.616 245 A CB -0.842 18.094 19.000 -0.106 0.000 0.823 245 A HN 0.226 nan 8.150 nan 0.000 0.442 246 V N 0.299 120.183 119.914 -0.050 0.000 2.332 246 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 246 V C 2.515 178.592 176.094 -0.029 0.000 1.055 246 V CA 2.421 64.695 62.300 -0.043 0.000 1.038 246 V CB -0.855 30.953 31.823 -0.024 0.000 0.651 246 V HN 0.765 nan 8.190 nan 0.000 0.450 247 E N 0.211 120.407 120.200 -0.007 0.000 2.038 247 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 247 E C 2.328 178.917 176.600 -0.020 0.000 1.000 247 E CA 1.328 57.727 56.400 -0.002 0.000 0.803 247 E CB -0.007 29.705 29.700 0.020 0.000 0.750 247 E HN 0.434 nan 8.360 nan 0.000 0.448 248 K N 0.543 120.929 120.400 -0.024 0.000 2.044 248 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 248 K C 2.240 178.811 176.600 -0.050 0.000 1.049 248 K CA 1.257 57.525 56.287 -0.032 0.000 0.927 248 K CB -0.611 31.869 32.500 -0.033 0.000 0.713 248 K HN 0.360 nan 8.250 nan 0.000 0.443 249 I N 0.973 121.505 120.570 -0.062 0.000 2.361 249 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 249 I C 2.420 178.483 176.117 -0.091 0.000 1.133 249 I CA 0.970 62.219 61.300 -0.085 0.000 1.413 249 I CB -0.371 37.571 38.000 -0.097 0.000 1.073 249 I HN 0.066 nan 8.210 nan 0.000 0.424 250 A N 0.716 123.496 122.820 -0.068 0.000 1.873 250 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 250 A C 2.202 179.748 177.584 -0.064 0.000 1.186 250 A CA 1.439 53.438 52.037 -0.064 0.000 0.616 250 A CB -0.501 18.476 19.000 -0.038 0.000 0.823 250 A HN 0.405 nan 8.150 nan 0.000 0.442 251 E N 0.002 120.172 120.200 -0.050 0.000 2.038 251 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 251 E C 2.365 178.930 176.600 -0.060 0.000 1.000 251 E CA 1.075 57.448 56.400 -0.045 0.000 0.803 251 E CB -0.387 29.293 29.700 -0.033 0.000 0.750 251 E HN 0.597 nan 8.360 nan 0.000 0.448 252 A N 1.790 124.568 122.820 -0.069 0.000 1.869 252 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 252 A C 2.105 179.621 177.584 -0.112 0.000 1.203 252 A CA 1.919 53.906 52.037 -0.084 0.000 0.638 252 A CB -0.666 18.279 19.000 -0.093 0.000 0.831 252 A HN 0.121 nan 8.150 nan 0.000 0.450 253 R N -0.604 119.808 120.500 -0.147 0.000 2.193 253 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 253 R C 1.716 177.937 176.300 -0.132 0.000 1.110 253 R CA 1.174 57.163 56.100 -0.185 0.000 0.988 253 R CB -0.362 29.801 30.300 -0.229 0.000 0.871 253 R HN 0.529 nan 8.270 nan 0.000 0.458 254 N N 1.091 119.734 118.700 -0.095 0.000 2.142 254 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 254 N C 1.023 176.495 175.510 -0.062 0.000 1.023 254 N CA 1.169 54.177 53.050 -0.070 0.000 0.852 254 N CB -0.003 38.453 38.487 -0.052 0.000 0.998 254 N HN 0.185 nan 8.380 nan 0.000 0.424 255 K N 0.123 120.487 120.400 -0.061 0.000 2.589 255 K HA 0.080 4.400 4.320 -0.000 0.000 0.192 255 K C 0.821 177.388 176.600 -0.055 0.000 1.029 255 K CA 0.445 56.702 56.287 -0.049 0.000 1.031 255 K CB -0.012 32.462 32.500 -0.042 0.000 0.821 255 K HN 0.272 nan 8.250 nan 0.000 0.502 256 G N 1.431 110.186 108.800 -0.075 0.000 2.184 256 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.264 256 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.264 256 G C 0.226 175.073 174.900 -0.088 0.000 0.975 256 G CA -0.088 44.965 45.100 -0.078 0.000 0.642 256 G HN 0.211 nan 8.290 nan 0.000 0.536 257 L N 0.855 122.023 121.223 -0.091 0.000 2.506 257 L HA 0.181 4.521 4.340 -0.000 0.000 0.281 257 L C 0.736 177.521 176.870 -0.142 0.000 1.228 257 L CA 0.081 54.869 54.840 -0.087 0.000 0.850 257 L CB 0.359 42.371 42.059 -0.078 0.000 1.110 257 L HN 0.081 nan 8.230 nan 0.000 0.496 258 D N 2.574 122.918 120.400 -0.094 0.000 2.631 258 D HA 0.225 4.865 4.640 -0.000 0.000 0.227 258 D C -0.749 175.457 176.300 -0.157 0.000 1.146 258 D CA -0.057 53.880 54.000 -0.105 0.000 1.009 258 D CB 0.210 41.070 40.800 0.102 0.000 1.057 258 D HN 0.055 nan 8.370 nan 0.000 0.509 259 V N 2.011 121.698 119.914 -0.379 0.000 2.667 259 V HA 0.556 4.676 4.120 -0.000 0.000 0.308 259 V C -0.432 175.296 176.094 -0.609 0.000 1.048 259 V CA -0.725 61.397 62.300 -0.296 0.000 0.928 259 V CB 1.784 33.494 31.823 -0.189 0.000 1.004 259 V HN 0.256 nan 8.190 nan 0.000 0.444 260 W N 1.038 122.291 121.300 -0.078 0.000 2.950 260 W HA 0.772 5.432 4.660 -0.000 0.000 0.340 260 W C 0.180 176.511 176.519 -0.313 0.000 1.139 260 W CA -0.650 56.607 57.345 -0.147 0.000 1.188 260 W CB 2.118 31.533 29.460 -0.075 0.000 1.426 260 W HN 0.794 nan 8.180 nan 0.000 0.531 261 G N 0.943 109.692 108.800 -0.085 0.000 2.524 261 G HA2 0.622 4.582 3.960 -0.000 0.000 0.310 261 G HA3 0.622 4.582 3.960 -0.000 0.000 0.310 261 G C -1.807 172.935 174.900 -0.262 0.000 1.279 261 G CA -0.565 44.398 45.100 -0.227 0.000 0.974 261 G HN 0.401 nan 8.290 nan 0.000 0.484 262 E N 0.299 120.317 120.200 -0.303 0.000 2.317 262 E HA 0.696 5.046 4.350 -0.000 0.000 0.270 262 E C -0.972 175.588 176.600 -0.067 0.000 0.885 262 E CA -0.488 55.817 56.400 -0.158 0.000 0.760 262 E CB 2.367 31.985 29.700 -0.137 0.000 1.227 262 E HN 0.386 nan 8.360 nan 0.000 0.434 263 T N 0.719 115.265 114.554 -0.013 0.000 2.831 263 T HA 0.579 4.929 4.350 -0.000 0.000 0.287 263 T C -0.985 173.760 174.700 0.075 0.000 1.070 263 T CA -0.433 61.677 62.100 0.016 0.000 1.010 263 T CB 1.197 70.026 68.868 -0.065 0.000 1.264 263 T HN 0.631 nan 8.240 nan 0.000 0.532 264 C N 2.148 121.536 119.300 0.148 0.000 2.797 264 C HA 0.473 4.933 4.460 -0.000 0.000 0.306 264 C C -1.322 173.655 174.990 -0.022 0.000 1.207 264 C CA -1.565 57.490 59.018 0.061 0.000 1.507 264 C CB 2.021 29.787 27.740 0.044 0.000 2.028 264 C HN 0.646 nan 8.230 nan 0.000 0.475 265 P HA -0.297 nan 4.420 nan 0.000 0.217 265 P C 1.495 178.781 177.300 -0.024 0.000 1.162 265 P CA 2.258 65.309 63.100 -0.081 0.000 0.901 265 P CB 0.048 31.684 31.700 -0.107 0.000 0.793 266 Q N -0.202 119.574 119.800 -0.041 0.000 2.248 266 Q HA -0.208 4.132 4.340 -0.000 0.000 0.208 266 Q C 1.871 177.753 176.000 -0.197 0.000 0.984 266 Q CA 1.816 57.546 55.803 -0.121 0.000 0.875 266 Q CB -1.621 26.700 28.738 -0.695 0.000 0.910 266 Q HN 0.434 nan 8.270 nan 0.000 0.433 267 Y N -0.545 119.746 120.300 -0.015 0.000 2.510 267 Y HA 0.077 4.627 4.550 -0.000 0.000 0.273 267 Y C 1.924 177.785 175.900 -0.066 0.000 1.119 267 Y CA -0.136 57.947 58.100 -0.028 0.000 1.286 267 Y CB 0.378 38.793 38.460 -0.075 0.000 1.061 267 Y HN 0.042 nan 8.280 nan 0.000 0.542 268 L N -1.492 119.736 121.223 0.009 0.000 2.249 268 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 268 L C 1.673 178.619 176.870 0.125 0.000 1.090 268 L CA 1.026 55.792 54.840 -0.124 0.000 0.802 268 L CB -0.002 41.821 42.059 -0.394 0.000 0.947 268 L HN 0.014 nan 8.230 nan 0.000 0.453 269 V N -1.746 118.246 119.914 0.131 0.000 3.013 269 V HA 0.154 4.274 4.120 -0.000 0.000 0.238 269 V C 0.985 177.155 176.094 0.126 0.000 1.161 269 V CA 0.012 62.419 62.300 0.179 0.000 1.170 269 V CB 0.487 32.398 31.823 0.146 0.000 0.917 269 V HN 0.001 nan 8.190 nan 0.000 0.478 270 L N 1.042 122.296 121.223 0.052 0.000 2.469 270 L HA 0.547 4.887 4.340 -0.000 0.000 0.253 270 L C -0.355 176.472 176.870 -0.071 0.000 1.143 270 L CA -0.167 54.542 54.840 -0.218 0.000 0.804 270 L CB 0.861 42.691 42.059 -0.382 0.000 1.214 270 L HN 0.497 nan 8.230 nan 0.000 0.476 271 D N -2.969 117.370 120.400 -0.102 0.000 2.665 271 D HA 0.081 4.721 4.640 -0.000 0.000 0.287 271 D C 0.120 176.476 176.300 0.093 0.000 1.266 271 D CA -0.766 53.279 54.000 0.075 0.000 0.830 271 D CB 1.061 41.946 40.800 0.142 0.000 1.356 271 D HN 0.487 nan 8.370 nan 0.000 0.437 272 Q N 0.008 119.851 119.800 0.072 0.000 2.197 272 Q HA -0.281 4.059 4.340 -0.000 0.000 0.211 272 Q C 1.644 177.656 176.000 0.020 0.000 0.993 272 Q CA 2.857 58.678 55.803 0.029 0.000 0.883 272 Q CB -0.251 28.496 28.738 0.015 0.000 0.916 272 Q HN 0.590 nan 8.270 nan 0.000 0.418 273 S N -0.642 115.091 115.700 0.054 0.000 2.374 273 S HA -0.226 4.244 4.470 -0.000 0.000 0.227 273 S C 1.618 176.173 174.600 -0.076 0.000 1.037 273 S CA 1.388 59.577 58.200 -0.017 0.000 1.024 273 S CB -0.999 62.179 63.200 -0.037 0.000 0.861 273 S HN 0.536 nan 8.310 nan 0.000 0.456 274 Y N 1.940 122.075 120.300 -0.274 0.000 2.446 274 Y HA 0.023 4.573 4.550 -0.000 0.000 0.287 274 Y C 2.076 177.781 175.900 -0.325 0.000 1.159 274 Y CA 0.538 58.343 58.100 -0.491 0.000 1.297 274 Y CB -0.622 37.179 38.460 -1.098 0.000 0.974 274 Y HN 0.275 nan 8.280 nan 0.000 0.557 275 L N -0.736 120.448 121.223 -0.066 0.000 2.492 275 L HA -0.084 4.256 4.340 -0.000 0.000 0.223 275 L C 1.697 178.523 176.870 -0.073 0.000 1.132 275 L CA 0.867 55.671 54.840 -0.060 0.000 0.850 275 L CB -0.160 41.846 42.059 -0.088 0.000 0.966 275 L HN 0.281 nan 8.230 nan 0.000 0.454 276 E N 0.245 120.395 120.200 -0.083 0.000 2.276 276 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 276 E C 0.820 177.384 176.600 -0.061 0.000 0.983 276 E CA -0.090 56.266 56.400 -0.075 0.000 0.861 276 E CB 0.277 29.928 29.700 -0.082 0.000 0.817 276 E HN 0.239 nan 8.360 nan 0.000 0.485 277 K N 2.731 123.078 120.400 -0.089 0.000 2.245 277 K HA 0.078 4.398 4.320 -0.000 0.000 0.281 277 K C -2.551 174.026 176.600 -0.039 0.000 1.079 277 K CA -0.552 55.683 56.287 -0.087 0.000 1.000 277 K CB 0.319 32.716 32.500 -0.172 0.000 1.038 277 K HN -0.106 nan 8.250 nan 0.000 0.430 278 P HA 0.146 nan 4.420 nan 0.000 0.383 278 P C -1.195 176.147 177.300 0.070 0.000 1.216 278 P CA -0.568 62.544 63.100 0.020 0.000 1.570 278 P CB 1.252 32.955 31.700 0.004 0.000 3.134 279 N N -0.484 118.275 118.700 0.098 0.000 2.453 279 N HA -0.293 4.447 4.740 -0.000 0.000 0.177 279 N C 0.322 175.997 175.510 0.275 0.000 0.529 279 N CA 2.226 55.369 53.050 0.156 0.000 1.553 279 N CB -1.594 36.985 38.487 0.155 0.000 1.408 279 N HN 0.592 nan 8.380 nan 0.000 0.400 280 F N 2.063 122.086 119.950 0.122 0.000 2.915 280 F HA 0.319 4.846 4.527 -0.000 0.000 0.347 280 F C 1.523 177.450 175.800 0.210 0.000 1.104 280 F CA -0.099 58.004 58.000 0.171 0.000 1.126 280 F CB 0.265 39.373 39.000 0.180 0.000 1.145 280 F HN 0.105 nan 8.300 nan 0.000 0.541 281 E N 0.584 120.823 120.200 0.066 0.000 2.233 281 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 281 E C 2.315 178.723 176.600 -0.321 0.000 1.004 281 E CA 1.261 57.495 56.400 -0.276 0.000 0.819 281 E CB -0.567 29.040 29.700 -0.155 0.000 0.738 281 E HN 0.583 nan 8.360 nan 0.000 0.478 282 G N 1.515 110.198 108.800 -0.195 0.000 2.513 282 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 282 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 282 G C 1.750 176.471 174.900 -0.298 0.000 1.160 282 G CA 1.630 46.644 45.100 -0.143 0.000 0.767 282 G HN 0.423 nan 8.290 nan 0.000 0.571 283 A N 0.649 123.128 122.820 -0.568 0.000 2.093 283 A HA -0.139 4.181 4.320 -0.000 0.000 0.222 283 A C 2.256 179.564 177.584 -0.461 0.000 1.162 283 A CA 2.116 53.811 52.037 -0.570 0.000 0.655 283 A CB -0.392 18.042 19.000 -0.943 0.000 0.805 283 A HN 0.465 nan 8.150 nan 0.000 0.461 284 K N -1.823 118.162 120.400 -0.691 0.000 2.280 284 K HA -0.131 4.189 4.320 -0.000 0.000 0.202 284 K C 0.504 176.569 176.600 -0.890 0.000 1.047 284 K CA 1.400 57.079 56.287 -1.012 0.000 0.942 284 K CB -0.194 31.348 32.500 -1.596 0.000 0.739 284 K HN 0.735 nan 8.250 nan 0.000 0.457 285 Y N -0.198 119.772 120.300 -0.550 0.000 2.555 285 Y HA 0.136 4.686 4.550 -0.000 0.000 0.259 285 Y C 0.195 175.204 175.900 -1.486 0.000 1.179 285 Y CA -0.556 56.870 58.100 -1.125 0.000 1.230 285 Y CB 0.495 38.534 38.460 -0.702 0.000 1.146 285 Y HN -0.305 nan 8.280 nan 0.000 0.526 286 V N 2.581 122.058 119.914 -0.728 0.000 2.405 286 V HA 0.107 4.227 4.120 -0.000 0.000 0.264 286 V C -0.632 175.294 176.094 -0.279 0.000 1.048 286 V CA -0.248 61.723 62.300 -0.549 0.000 0.966 286 V CB -1.069 30.498 31.823 -0.427 0.000 1.015 286 V HN 0.458 nan 8.190 nan 0.000 0.477 287 W N 2.881 124.256 121.300 0.125 0.000 3.059 287 W HA 0.742 5.402 4.660 -0.000 0.000 0.329 287 W C -1.012 175.752 176.519 0.408 0.000 1.246 287 W CA -1.204 56.269 57.345 0.214 0.000 1.190 287 W CB 0.601 30.146 29.460 0.140 0.000 1.423 287 W HN 0.202 nan 8.180 nan 0.000 0.571 288 S N 1.998 118.101 115.700 0.671 0.000 2.482 288 S HA 0.707 5.177 4.470 -0.000 0.000 0.303 288 S C -2.576 172.126 174.600 0.169 0.000 1.091 288 S CA -1.186 57.297 58.200 0.471 0.000 1.057 288 S CB 1.834 65.299 63.200 0.442 0.000 1.031 288 S HN 0.182 nan 8.310 nan 0.000 0.485 289 P HA 0.242 nan 4.420 nan 0.000 0.272 289 P C -2.503 174.950 177.300 0.254 0.000 1.230 289 P CA -1.209 61.874 63.100 -0.029 0.000 0.788 289 P CB -0.226 31.314 31.700 -0.267 0.000 0.949 290 P HA 0.087 nan 4.420 nan 0.000 0.274 290 P C -0.352 177.103 177.300 0.260 0.000 1.237 290 P CA -0.005 63.206 63.100 0.185 0.000 0.793 290 P CB 0.612 32.259 31.700 -0.088 0.000 0.977 291 L N 2.203 123.594 121.223 0.280 0.000 2.485 291 L HA 0.090 4.430 4.340 -0.000 0.000 0.275 291 L C 1.629 178.545 176.870 0.076 0.000 1.207 291 L CA 0.091 55.093 54.840 0.269 0.000 0.855 291 L CB -0.140 42.015 42.059 0.160 0.000 1.114 291 L HN 0.346 nan 8.230 nan 0.000 0.485 292 R N 1.981 122.490 120.500 0.014 0.000 2.730 292 R HA 0.402 4.742 4.340 -0.000 0.000 0.228 292 R C -0.422 175.869 176.300 -0.014 0.000 1.312 292 R CA -0.936 55.091 56.100 -0.121 0.000 1.093 292 R CB 0.236 30.255 30.300 -0.469 0.000 1.583 292 R HN 0.502 nan 8.270 nan 0.000 0.535 293 E N 1.350 121.574 120.200 0.039 0.000 2.360 293 E HA -0.018 4.332 4.350 -0.000 0.000 0.269 293 E C 0.665 177.334 176.600 0.115 0.000 1.022 293 E CA -0.139 56.352 56.400 0.151 0.000 0.887 293 E CB 0.808 30.710 29.700 0.337 0.000 0.990 293 E HN 0.274 nan 8.360 nan 0.000 0.426 294 K N 4.216 124.716 120.400 0.166 0.000 2.184 294 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 294 K C 1.632 178.346 176.600 0.191 0.000 1.048 294 K CA 2.315 58.707 56.287 0.174 0.000 0.931 294 K CB -0.257 32.355 32.500 0.187 0.000 0.718 294 K HN 0.823 nan 8.250 nan 0.000 0.465 295 W N -0.433 120.926 121.300 0.099 0.000 2.421 295 W HA -0.174 4.486 4.660 -0.000 0.000 0.270 295 W C 1.094 177.610 176.519 -0.004 0.000 1.233 295 W CA 1.030 58.389 57.345 0.023 0.000 1.226 295 W CB -0.884 28.541 29.460 -0.058 0.000 1.121 295 W HN 0.181 nan 8.180 nan 0.000 0.579 296 H N 1.222 119.908 119.070 -0.641 0.000 2.423 296 H HA -0.095 4.461 4.556 -0.000 0.000 0.297 296 H C 2.181 177.400 175.328 -0.181 0.000 1.075 296 H CA 1.922 57.573 56.048 -0.661 0.000 1.342 296 H CB -0.250 29.074 29.762 -0.729 0.000 1.395 296 H HN 0.368 nan 8.280 nan 0.000 0.530 297 Q N 0.722 120.564 119.800 0.070 0.000 2.173 297 Q HA -0.197 4.143 4.340 -0.000 0.000 0.208 297 Q C 2.091 178.257 176.000 0.276 0.000 0.989 297 Q CA 1.425 57.322 55.803 0.157 0.000 0.872 297 Q CB -0.009 28.876 28.738 0.245 0.000 0.909 297 Q HN 0.592 nan 8.270 nan 0.000 0.420 298 E N -0.265 120.095 120.200 0.266 0.000 2.017 298 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 298 E C 2.116 178.856 176.600 0.233 0.000 0.997 298 E CA 1.521 58.092 56.400 0.284 0.000 0.804 298 E CB 0.008 29.840 29.700 0.221 0.000 0.757 298 E HN 0.147 nan 8.360 nan 0.000 0.448 299 V N 1.851 121.860 119.914 0.158 0.000 2.278 299 V HA -0.325 3.795 4.120 -0.000 0.000 0.251 299 V C 2.425 178.564 176.094 0.074 0.000 1.062 299 V CA 1.713 64.079 62.300 0.109 0.000 1.038 299 V CB -0.671 31.193 31.823 0.069 0.000 0.646 299 V HN 0.298 nan 8.190 nan 0.000 0.447 300 L N -1.829 119.410 121.223 0.027 0.000 1.970 300 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 300 L C 2.515 179.362 176.870 -0.038 0.000 1.071 300 L CA 2.385 57.186 54.840 -0.066 0.000 0.751 300 L CB -0.677 41.278 42.059 -0.174 0.000 0.889 300 L HN 0.375 nan 8.230 nan 0.000 0.432 301 W N 0.560 121.879 121.300 0.031 0.000 2.318 301 W HA -0.231 4.429 4.660 -0.000 0.000 0.313 301 W C 2.686 179.219 176.519 0.024 0.000 1.221 301 W CA 1.064 58.426 57.345 0.029 0.000 1.266 301 W CB -0.480 28.998 29.460 0.029 0.000 1.150 301 W HN 0.214 nan 8.180 nan 0.000 0.496 302 N N 0.089 118.941 118.700 0.253 0.000 2.120 302 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 302 N C 1.738 177.309 175.510 0.101 0.000 1.024 302 N CA 1.780 54.922 53.050 0.154 0.000 0.852 302 N CB -0.924 37.633 38.487 0.118 0.000 1.003 302 N HN 0.156 nan 8.380 nan 0.000 0.424 303 A N 1.308 124.171 122.820 0.072 0.000 1.908 303 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 303 A C 2.247 179.850 177.584 0.031 0.000 1.181 303 A CA 1.070 53.124 52.037 0.029 0.000 0.627 303 A CB -0.675 18.323 19.000 -0.004 0.000 0.818 303 A HN 0.138 nan 8.150 nan 0.000 0.445 304 L N -0.253 120.995 121.223 0.041 0.000 2.046 304 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 304 L C 2.393 179.318 176.870 0.091 0.000 1.077 304 L CA 2.437 57.306 54.840 0.049 0.000 0.747 304 L CB -0.642 41.436 42.059 0.032 0.000 0.896 304 L HN 0.546 nan 8.230 nan 0.000 0.432 305 K N -0.827 119.650 120.400 0.128 0.000 2.002 305 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 305 K C 1.809 178.451 176.600 0.070 0.000 1.048 305 K CA 1.662 58.016 56.287 0.112 0.000 0.930 305 K CB -0.106 32.465 32.500 0.119 0.000 0.714 305 K HN 0.303 nan 8.250 nan 0.000 0.438 306 N N -0.933 117.801 118.700 0.056 0.000 2.412 306 N HA 0.005 4.745 4.740 -0.000 0.000 0.184 306 N C 0.548 176.070 175.510 0.020 0.000 1.101 306 N CA 1.056 54.127 53.050 0.034 0.000 0.881 306 N CB 1.072 39.575 38.487 0.028 0.000 0.969 306 N HN 0.545 nan 8.380 nan 0.000 0.459 307 G N 0.912 109.726 108.800 0.024 0.000 2.179 307 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 307 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 307 G C 1.011 175.904 174.900 -0.011 0.000 0.990 307 G CA 0.084 45.192 45.100 0.013 0.000 0.646 307 G HN 0.257 nan 8.290 nan 0.000 0.517 308 Q N -0.102 119.687 119.800 -0.018 0.000 2.124 308 Q HA 0.102 4.442 4.340 -0.000 0.000 0.202 308 Q C 1.510 177.482 176.000 -0.046 0.000 0.977 308 Q CA 1.068 56.845 55.803 -0.043 0.000 0.850 308 Q CB -0.056 28.662 28.738 -0.033 0.000 0.901 308 Q HN 0.643 nan 8.270 nan 0.000 0.429 309 L N 2.023 123.231 121.223 -0.025 0.000 2.329 309 L HA 0.228 4.568 4.340 -0.000 0.000 0.279 309 L C 0.804 177.684 176.870 0.016 0.000 1.014 309 L CA -0.468 54.356 54.840 -0.027 0.000 0.814 309 L CB 1.635 43.662 42.059 -0.054 0.000 1.257 309 L HN 0.065 nan 8.230 nan 0.000 0.424 310 Q N 0.613 120.445 119.800 0.053 0.000 2.140 310 Q HA 0.183 4.523 4.340 -0.000 0.000 0.227 310 Q C -0.082 175.961 176.000 0.071 0.000 0.798 310 Q CA -0.102 55.758 55.803 0.095 0.000 0.987 310 Q CB 1.250 30.122 28.738 0.222 0.000 1.161 310 Q HN 0.691 nan 8.270 nan 0.000 0.480 311 T N -1.457 113.127 114.554 0.050 0.000 2.900 311 T HA 0.668 5.018 4.350 -0.000 0.000 0.303 311 T C -1.234 173.493 174.700 0.044 0.000 1.142 311 T CA -0.842 61.300 62.100 0.070 0.000 1.007 311 T CB 2.049 71.036 68.868 0.197 0.000 1.156 311 T HN 0.084 nan 8.240 nan 0.000 0.490 312 L N 1.984 123.227 121.223 0.033 0.000 2.325 312 L HA 0.845 5.185 4.340 -0.000 0.000 0.281 312 L C 0.127 177.030 176.870 0.055 0.000 1.004 312 L CA 0.096 54.946 54.840 0.017 0.000 0.823 312 L CB 1.185 43.224 42.059 -0.034 0.000 1.236 312 L HN 1.150 nan 8.230 nan 0.000 0.415 313 G N 1.398 110.254 108.800 0.095 0.000 2.568 313 G HA2 0.461 4.421 3.960 -0.000 0.000 0.313 313 G HA3 0.461 4.421 3.960 -0.000 0.000 0.313 313 G C 0.222 175.149 174.900 0.046 0.000 1.227 313 G CA 0.126 45.301 45.100 0.125 0.000 0.979 313 G HN 0.704 nan 8.290 nan 0.000 0.486 314 S N -0.999 114.709 115.700 0.013 0.000 2.441 314 S HA 0.063 4.533 4.470 -0.000 0.000 0.224 314 S C 0.961 175.444 174.600 -0.194 0.000 1.043 314 S CA 1.278 59.437 58.200 -0.069 0.000 0.948 314 S CB -0.009 63.165 63.200 -0.043 0.000 0.810 314 S HN 0.815 nan 8.310 nan 0.000 0.504 315 D N 0.718 120.945 120.400 -0.289 0.000 2.835 315 D HA -0.165 4.475 4.640 -0.000 0.000 0.230 315 D C -0.218 175.990 176.300 -0.152 0.000 1.130 315 D CA 0.895 54.569 54.000 -0.544 0.000 0.738 315 D CB -1.755 38.693 40.800 -0.588 0.000 1.090 315 D HN 0.692 nan 8.370 nan 0.000 0.433 316 Q N 0.523 120.276 119.800 -0.078 0.000 2.262 316 Q HA 0.236 4.576 4.340 -0.000 0.000 0.298 316 Q C -0.718 175.292 176.000 0.017 0.000 1.083 316 Q CA 0.437 56.204 55.803 -0.059 0.000 0.962 316 Q CB 0.549 29.248 28.738 -0.065 0.000 1.104 316 Q HN 0.393 nan 8.270 nan 0.000 0.376 317 C N 5.207 124.474 119.300 -0.056 0.000 3.238 317 C HA 0.404 4.864 4.460 -0.000 0.000 0.308 317 C C -0.594 174.168 174.990 -0.380 0.000 0.971 317 C CA 0.098 59.040 59.018 -0.126 0.000 1.207 317 C CB -0.752 27.017 27.740 0.049 0.000 1.696 317 C HN 0.955 nan 8.230 nan 0.000 0.609 318 S N 1.950 117.392 115.700 -0.429 0.000 2.564 318 S HA 0.783 5.253 4.470 -0.000 0.000 0.278 318 S C -0.912 173.283 174.600 -0.676 0.000 1.333 318 S CA 0.108 58.060 58.200 -0.414 0.000 1.048 318 S CB 0.606 63.639 63.200 -0.277 0.000 0.900 318 S HN 0.545 nan 8.310 nan 0.000 0.505 319 F N 0.001 120.013 119.950 0.104 0.000 2.630 319 F HA 0.295 4.822 4.527 -0.000 0.000 0.325 319 F C -0.272 175.675 175.800 0.246 0.000 1.184 319 F CA -1.145 56.943 58.000 0.147 0.000 1.011 319 F CB 1.383 40.474 39.000 0.152 0.000 1.268 319 F HN 0.489 nan 8.300 nan 0.000 0.480 320 D N 2.862 123.482 120.400 0.367 0.000 2.487 320 D HA -0.087 4.553 4.640 -0.000 0.000 0.243 320 D C 1.098 177.622 176.300 0.373 0.000 1.154 320 D CA 0.418 54.626 54.000 0.345 0.000 0.876 320 D CB 0.545 41.472 40.800 0.212 0.000 1.161 320 D HN 0.486 nan 8.370 nan 0.000 0.478 321 F N 4.297 124.403 119.950 0.260 0.000 2.202 321 F HA -0.184 4.343 4.527 -0.000 0.000 0.301 321 F C 1.681 177.534 175.800 0.087 0.000 1.082 321 F CA 1.367 59.391 58.000 0.040 0.000 1.313 321 F CB 0.101 38.982 39.000 -0.199 0.000 1.024 321 F HN 0.233 nan 8.300 nan 0.000 0.495 322 K N 0.020 120.412 120.400 -0.012 0.000 1.975 322 K HA -0.091 4.229 4.320 -0.000 0.000 0.224 322 K C 2.358 178.884 176.600 -0.122 0.000 1.038 322 K CA 1.451 57.665 56.287 -0.121 0.000 1.009 322 K CB -1.355 31.152 32.500 0.011 0.000 0.750 322 K HN 0.335 nan 8.250 nan 0.000 0.445 323 G N 0.576 109.361 108.800 -0.025 0.000 2.424 323 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.214 323 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.214 323 G C 1.476 176.366 174.900 -0.016 0.000 1.202 323 G CA 0.721 45.806 45.100 -0.025 0.000 0.793 323 G HN 0.284 nan 8.290 nan 0.000 0.534 324 Q N 0.173 120.001 119.800 0.046 0.000 1.891 324 Q HA -0.034 4.306 4.340 -0.000 0.000 0.214 324 Q C 2.715 178.712 176.000 -0.004 0.000 0.995 324 Q CA 1.510 57.339 55.803 0.042 0.000 0.866 324 Q CB -0.135 28.715 28.738 0.188 0.000 0.931 324 Q HN 0.088 nan 8.270 nan 0.000 0.422 325 K N 0.909 121.353 120.400 0.073 0.000 2.189 325 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 325 K C 1.731 178.445 176.600 0.189 0.000 1.046 325 K CA 1.429 57.780 56.287 0.106 0.000 0.928 325 K CB -0.279 32.353 32.500 0.220 0.000 0.720 325 K HN 0.405 nan 8.250 nan 0.000 0.458 326 E N 0.580 120.814 120.200 0.055 0.000 2.409 326 E HA -0.066 4.284 4.350 -0.000 0.000 0.198 326 E C 1.875 178.413 176.600 -0.104 0.000 1.024 326 E CA 0.077 56.434 56.400 -0.072 0.000 0.861 326 E CB -0.121 29.424 29.700 -0.260 0.000 0.788 326 E HN 0.272 nan 8.360 nan 0.000 0.521 327 L N 0.021 121.213 121.223 -0.052 0.000 2.189 327 L HA -0.126 4.214 4.340 -0.000 0.000 0.214 327 L C 1.638 178.477 176.870 -0.052 0.000 1.097 327 L CA 0.900 55.699 54.840 -0.069 0.000 0.764 327 L CB -0.232 41.780 42.059 -0.079 0.000 0.900 327 L HN 0.080 nan 8.230 nan 0.000 0.436 328 G N -0.958 107.857 108.800 0.025 0.000 4.232 328 G HA2 0.213 4.173 3.960 -0.000 0.000 0.304 328 G HA3 0.213 4.173 3.960 -0.000 0.000 0.304 328 G C 0.765 175.744 174.900 0.132 0.000 1.295 328 G CA -0.488 44.654 45.100 0.069 0.000 1.398 328 G HN -0.092 nan 8.290 nan 0.000 0.571 329 R N 1.543 121.981 120.500 -0.103 0.000 2.072 329 R HA 0.010 4.350 4.340 -0.000 0.000 0.221 329 R C 2.400 178.679 176.300 -0.036 0.000 1.166 329 R CA 1.283 57.210 56.100 -0.287 0.000 0.917 329 R CB -1.018 29.062 30.300 -0.366 0.000 0.815 329 R HN 0.335 nan 8.270 nan 0.000 0.444 330 G N 0.677 109.451 108.800 -0.043 0.000 3.155 330 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.213 330 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.213 330 G C -0.467 174.457 174.900 0.039 0.000 1.196 330 G CA 0.034 45.142 45.100 0.013 0.000 0.846 330 G HN 0.193 nan 8.290 nan 0.000 0.516 331 D N -0.430 120.003 120.400 0.055 0.000 2.365 331 D HA 0.085 4.725 4.640 -0.000 0.000 0.235 331 D C 1.105 177.418 176.300 0.020 0.000 1.368 331 D CA -0.833 53.156 54.000 -0.017 0.000 1.001 331 D CB 0.392 41.133 40.800 -0.098 0.000 1.364 331 D HN 0.039 nan 8.370 nan 0.000 0.577 332 F N 1.884 121.903 119.950 0.116 0.000 2.171 332 F HA -0.099 4.428 4.527 -0.000 0.000 0.300 332 F C 2.190 178.040 175.800 0.083 0.000 1.090 332 F CA 1.470 59.544 58.000 0.123 0.000 1.293 332 F CB -1.332 37.768 39.000 0.167 0.000 1.013 332 F HN 0.284 nan 8.300 nan 0.000 0.486 333 T N -1.940 112.176 114.554 -0.731 0.000 2.996 333 T HA -0.125 4.225 4.350 -0.000 0.000 0.271 333 T C 1.351 175.959 174.700 -0.153 0.000 1.126 333 T CA 1.271 63.134 62.100 -0.396 0.000 1.103 333 T CB -0.650 67.915 68.868 -0.505 0.000 0.870 333 T HN 0.523 nan 8.240 nan 0.000 0.528 334 K N 0.137 120.462 120.400 -0.126 0.000 2.372 334 K HA 0.368 4.688 4.320 -0.000 0.000 0.200 334 K C 0.001 176.565 176.600 -0.059 0.000 1.022 334 K CA -0.192 56.045 56.287 -0.083 0.000 1.125 334 K CB 0.307 32.759 32.500 -0.080 0.000 0.855 334 K HN 0.461 nan 8.250 nan 0.000 0.524 335 I N 4.301 124.855 120.570 -0.027 0.000 2.396 335 I HA 0.088 4.258 4.170 -0.000 0.000 0.289 335 I C -2.071 173.956 176.117 -0.149 0.000 1.056 335 I CA -2.302 58.973 61.300 -0.041 0.000 1.365 335 I CB 0.686 38.677 38.000 -0.015 0.000 1.407 335 I HN -0.155 nan 8.210 nan 0.000 0.509 336 P HA 0.035 nan 4.420 nan 0.000 0.271 336 P C -0.968 176.178 177.300 -0.256 0.000 1.233 336 P CA 0.014 62.803 63.100 -0.517 0.000 0.764 336 P CB 0.228 31.127 31.700 -1.334 0.000 0.825 337 N N 1.810 120.499 118.700 -0.019 0.000 2.513 337 N HA 0.441 5.181 4.740 -0.000 0.000 0.268 337 N C 0.440 176.229 175.510 0.464 0.000 1.180 337 N CA 0.128 53.299 53.050 0.201 0.000 0.948 337 N CB 0.436 39.074 38.487 0.252 0.000 1.083 337 N HN 0.635 nan 8.380 nan 0.000 0.455 338 G N -0.108 109.014 108.800 0.535 0.000 2.326 338 G HA2 0.345 4.305 3.960 -0.000 0.000 0.478 338 G HA3 0.345 4.305 3.960 -0.000 0.000 0.478 338 G C -1.098 174.111 174.900 0.514 0.000 1.551 338 G CA -0.763 44.629 45.100 0.487 0.000 0.946 338 G HN 0.731 nan 8.290 nan 0.000 0.671 339 G N 0.503 109.463 108.800 0.265 0.000 2.519 339 G HA2 0.865 4.825 3.960 -0.000 0.000 0.307 339 G HA3 0.865 4.825 3.960 -0.000 0.000 0.307 339 G C -2.763 172.072 174.900 -0.107 0.000 1.266 339 G CA -1.462 43.746 45.100 0.179 0.000 0.970 339 G HN 0.548 nan 8.290 nan 0.000 0.481 340 P HA 0.267 nan 4.420 nan 0.000 0.268 340 P C 0.083 177.272 177.300 -0.185 0.000 1.541 340 P CA -0.068 62.881 63.100 -0.252 0.000 1.093 340 P CB 0.485 31.944 31.700 -0.401 0.000 1.551 341 I N 2.471 122.961 120.570 -0.133 0.000 4.592 341 I HA 0.102 4.272 4.170 -0.000 0.000 0.329 341 I C 2.201 178.321 176.117 0.006 0.000 1.309 341 I CA -0.188 61.097 61.300 -0.024 0.000 1.243 341 I CB 0.220 38.163 38.000 -0.095 0.000 1.241 341 I HN 0.127 nan 8.210 nan 0.000 0.434 342 I N 1.733 122.276 120.570 -0.044 0.000 2.597 342 I HA -0.324 3.846 4.170 -0.000 0.000 0.262 342 I C 2.192 178.316 176.117 0.012 0.000 1.194 342 I CA 1.771 63.055 61.300 -0.027 0.000 1.437 342 I CB 0.180 38.145 38.000 -0.059 0.000 1.096 342 I HN 0.355 nan 8.210 nan 0.000 0.451 343 E N 0.025 120.245 120.200 0.034 0.000 2.166 343 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 343 E C 0.977 177.654 176.600 0.128 0.000 0.967 343 E CA 0.651 57.101 56.400 0.084 0.000 0.840 343 E CB 0.232 29.986 29.700 0.090 0.000 0.795 343 E HN 0.516 nan 8.360 nan 0.000 0.470 344 D N 0.273 120.758 120.400 0.141 0.000 2.349 344 D HA -0.013 4.627 4.640 -0.000 0.000 0.214 344 D C 1.573 177.905 176.300 0.055 0.000 1.063 344 D CA -0.081 53.994 54.000 0.124 0.000 0.847 344 D CB 0.148 41.035 40.800 0.146 0.000 0.933 344 D HN 0.123 nan 8.370 nan 0.000 0.513 345 R N 1.335 121.870 120.500 0.057 0.000 2.132 345 R HA -0.183 4.157 4.340 -0.000 0.000 0.233 345 R C 1.963 178.297 176.300 0.056 0.000 1.125 345 R CA 1.792 57.907 56.100 0.026 0.000 0.914 345 R CB -0.464 29.847 30.300 0.018 0.000 0.845 345 R HN -0.072 nan 8.270 nan 0.000 0.431 346 V N 0.696 120.657 119.914 0.078 0.000 2.231 346 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 346 V C 2.468 178.722 176.094 0.267 0.000 1.054 346 V CA 2.319 64.697 62.300 0.130 0.000 1.015 346 V CB -0.727 31.143 31.823 0.077 0.000 0.638 346 V HN 0.462 nan 8.190 nan 0.000 0.444 347 S N -0.011 115.841 115.700 0.254 0.000 2.359 347 S HA -0.212 4.258 4.470 -0.000 0.000 0.223 347 S C 1.886 176.659 174.600 0.288 0.000 1.039 347 S CA 2.102 60.509 58.200 0.345 0.000 1.042 347 S CB -0.506 62.882 63.200 0.312 0.000 0.915 347 S HN 0.510 nan 8.310 nan 0.000 0.439 348 I N 0.795 121.447 120.570 0.136 0.000 2.194 348 I HA -0.213 3.957 4.170 -0.000 0.000 0.246 348 I C 2.352 178.567 176.117 0.164 0.000 1.093 348 I CA 1.028 62.361 61.300 0.055 0.000 1.355 348 I CB -0.353 37.545 38.000 -0.170 0.000 1.046 348 I HN 0.224 nan 8.210 nan 0.000 0.413 349 L N 0.204 121.562 121.223 0.226 0.000 2.093 349 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 349 L C 2.293 179.336 176.870 0.288 0.000 1.085 349 L CA 1.639 56.674 54.840 0.324 0.000 0.755 349 L CB -0.605 41.659 42.059 0.342 0.000 0.904 349 L HN 0.148 nan 8.230 nan 0.000 0.435 350 F N -0.876 119.093 119.950 0.032 0.000 2.075 350 F HA -0.207 4.320 4.527 -0.000 0.000 0.297 350 F C 2.728 178.465 175.800 -0.104 0.000 1.113 350 F CA 1.802 59.551 58.000 -0.418 0.000 1.218 350 F CB -0.713 37.929 39.000 -0.595 0.000 0.984 350 F HN 0.188 nan 8.300 nan 0.000 0.472 351 S N -0.007 115.746 115.700 0.088 0.000 2.349 351 S HA -0.190 4.280 4.470 -0.000 0.000 0.216 351 S C 2.064 176.616 174.600 -0.081 0.000 1.033 351 S CA 1.540 59.747 58.200 0.011 0.000 1.021 351 S CB -0.576 62.717 63.200 0.155 0.000 0.968 351 S HN 0.445 nan 8.310 nan 0.000 0.426 352 E N 0.566 120.782 120.200 0.027 0.000 2.153 352 E HA -0.006 4.344 4.350 -0.000 0.000 0.194 352 E C 1.842 178.322 176.600 -0.199 0.000 0.988 352 E CA 1.091 57.489 56.400 -0.003 0.000 0.811 352 E CB -0.925 28.917 29.700 0.237 0.000 0.746 352 E HN 0.611 nan 8.360 nan 0.000 0.466 353 G N 0.466 109.275 108.800 0.015 0.000 2.682 353 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.221 353 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.221 353 G C 1.692 176.480 174.900 -0.186 0.000 1.386 353 G CA 0.567 45.648 45.100 -0.031 0.000 0.909 353 G HN 0.114 nan 8.290 nan 0.000 0.558 354 V N 1.491 121.266 119.914 -0.232 0.000 2.220 354 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 354 V C 2.846 178.699 176.094 -0.401 0.000 1.053 354 V CA 2.320 64.397 62.300 -0.372 0.000 1.019 354 V CB -0.520 30.877 31.823 -0.709 0.000 0.646 354 V HN 0.207 nan 8.190 nan 0.000 0.455 355 K N 0.012 120.057 120.400 -0.593 0.000 2.293 355 K HA -0.183 4.137 4.320 -0.000 0.000 0.204 355 K C 1.793 178.256 176.600 -0.227 0.000 1.045 355 K CA 1.424 57.480 56.287 -0.385 0.000 0.933 355 K CB -0.306 31.978 32.500 -0.360 0.000 0.736 355 K HN 0.532 nan 8.250 nan 0.000 0.463 356 K N -1.209 119.046 120.400 -0.242 0.000 2.358 356 K HA 0.096 4.416 4.320 -0.000 0.000 0.200 356 K C 0.904 177.382 176.600 -0.204 0.000 1.030 356 K CA 0.490 56.650 56.287 -0.211 0.000 1.097 356 K CB 1.028 33.378 32.500 -0.251 0.000 0.862 356 K HN 0.267 nan 8.250 nan 0.000 0.534 357 G N 1.790 110.479 108.800 -0.184 0.000 2.284 357 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 357 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 357 G C 0.035 174.854 174.900 -0.134 0.000 1.009 357 G CA -0.504 44.513 45.100 -0.140 0.000 0.625 357 G HN 0.221 nan 8.290 nan 0.000 0.501 358 R N 0.315 120.690 120.500 -0.208 0.000 2.560 358 R HA 0.766 5.106 4.340 -0.000 0.000 0.270 358 R C 1.246 177.541 176.300 -0.009 0.000 1.074 358 R CA 0.015 56.036 56.100 -0.131 0.000 1.140 358 R CB 0.571 30.671 30.300 -0.334 0.000 1.073 358 R HN 0.572 nan 8.270 nan 0.000 0.527 359 I N -1.031 119.599 120.570 0.099 0.000 9.119 359 I HA -0.370 3.800 4.170 -0.000 0.000 0.126 359 I C -0.362 175.789 176.117 0.057 0.000 1.830 359 I CA 0.892 62.264 61.300 0.120 0.000 2.091 359 I CB -0.647 37.472 38.000 0.198 0.000 3.893 359 I HN 0.684 nan 8.210 nan 0.000 0.185 360 T N 2.451 117.050 114.554 0.076 0.000 2.916 360 T HA 0.434 4.784 4.350 -0.000 0.000 0.292 360 T C 0.432 175.183 174.700 0.084 0.000 1.064 360 T CA -0.607 61.527 62.100 0.055 0.000 1.011 360 T CB 1.948 70.851 68.868 0.059 0.000 1.152 360 T HN 0.524 nan 8.240 nan 0.000 0.510 361 L N 1.895 123.156 121.223 0.063 0.000 2.127 361 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 361 L C 1.882 178.843 176.870 0.152 0.000 1.089 361 L CA 1.885 56.777 54.840 0.086 0.000 0.757 361 L CB -0.678 41.405 42.059 0.039 0.000 0.899 361 L HN 0.515 nan 8.230 nan 0.000 0.434 362 N N -1.073 117.694 118.700 0.111 0.000 2.173 362 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 362 N C 1.723 177.275 175.510 0.071 0.000 1.025 362 N CA 1.102 54.208 53.050 0.093 0.000 0.852 362 N CB -0.160 38.374 38.487 0.078 0.000 0.998 362 N HN 0.535 nan 8.380 nan 0.000 0.427 363 Q N 0.218 120.067 119.800 0.081 0.000 2.135 363 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 363 Q C 1.863 177.899 176.000 0.060 0.000 0.981 363 Q CA 1.091 56.934 55.803 0.066 0.000 0.856 363 Q CB -0.286 28.503 28.738 0.085 0.000 0.902 363 Q HN 0.315 nan 8.270 nan 0.000 0.425 364 F N 1.099 121.018 119.950 -0.051 0.000 2.043 364 F HA -0.268 4.259 4.527 -0.000 0.000 0.297 364 F C 2.052 177.749 175.800 -0.172 0.000 1.121 364 F CA 1.495 59.434 58.000 -0.102 0.000 1.199 364 F CB -0.620 38.301 39.000 -0.131 0.000 0.968 364 F HN -0.204 nan 8.300 nan 0.000 0.478 365 V N 0.651 120.323 119.914 -0.403 0.000 2.392 365 V HA -0.333 3.787 4.120 -0.000 0.000 0.249 365 V C 2.130 178.037 176.094 -0.312 0.000 1.059 365 V CA 2.326 64.330 62.300 -0.493 0.000 1.051 365 V CB -0.929 30.794 31.823 -0.168 0.000 0.658 365 V HN 0.442 nan 8.190 nan 0.000 0.455 366 D N 0.136 120.436 120.400 -0.166 0.000 2.084 366 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 366 D C 1.936 178.163 176.300 -0.123 0.000 0.985 366 D CA 1.479 55.416 54.000 -0.105 0.000 0.826 366 D CB -0.187 40.586 40.800 -0.046 0.000 0.978 366 D HN 0.428 nan 8.370 nan 0.000 0.456 367 I N -0.272 120.221 120.570 -0.128 0.000 2.454 367 I HA -0.173 3.997 4.170 -0.000 0.000 0.254 367 I C 1.707 177.733 176.117 -0.152 0.000 1.156 367 I CA 0.531 61.771 61.300 -0.101 0.000 1.433 367 I CB 0.077 38.042 38.000 -0.059 0.000 1.082 367 I HN 0.034 nan 8.210 nan 0.000 0.432 368 V N -1.617 118.113 119.914 -0.307 0.000 3.565 368 V HA 0.052 4.172 4.120 -0.000 0.000 0.260 368 V C 1.611 177.562 176.094 -0.238 0.000 1.231 368 V CA 0.916 63.027 62.300 -0.316 0.000 1.100 368 V CB 0.711 32.190 31.823 -0.574 0.000 0.807 368 V HN 0.358 nan 8.190 nan 0.000 0.454 369 S N -1.034 114.536 115.700 -0.217 0.000 4.207 369 S HA -0.013 4.457 4.470 -0.000 0.000 0.177 369 S C 1.886 176.459 174.600 -0.044 0.000 0.981 369 S CA 0.926 59.052 58.200 -0.124 0.000 1.097 369 S CB 0.099 63.214 63.200 -0.143 0.000 1.525 369 S HN 0.383 nan 8.310 nan 0.000 0.686 370 T N 2.977 117.513 114.554 -0.030 0.000 2.536 370 T HA -0.194 4.156 4.350 -0.000 0.000 0.263 370 T C 1.876 176.546 174.700 -0.049 0.000 1.115 370 T CA 2.146 64.257 62.100 0.019 0.000 1.180 370 T CB -0.638 68.229 68.868 -0.002 0.000 0.864 370 T HN 0.324 nan 8.240 nan 0.000 0.419 371 R N 0.954 121.403 120.500 -0.084 0.000 2.140 371 R HA -0.090 4.250 4.340 -0.000 0.000 0.250 371 R C 2.274 178.515 176.300 -0.099 0.000 1.150 371 R CA 1.544 57.577 56.100 -0.112 0.000 0.966 371 R CB -0.976 29.289 30.300 -0.058 0.000 0.869 371 R HN 0.574 nan 8.270 nan 0.000 0.445 372 I N -0.471 120.098 120.570 -0.001 0.000 2.163 372 I HA -0.231 3.939 4.170 -0.000 0.000 0.240 372 I C 2.339 178.536 176.117 0.134 0.000 1.081 372 I CA 1.267 62.641 61.300 0.123 0.000 1.353 372 I CB -0.548 37.526 38.000 0.124 0.000 1.054 372 I HN 0.306 nan 8.210 nan 0.000 0.407 373 A N 1.088 123.956 122.820 0.079 0.000 1.917 373 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 373 A C 2.328 179.957 177.584 0.075 0.000 1.182 373 A CA 1.853 53.953 52.037 0.105 0.000 0.633 373 A CB -0.509 18.600 19.000 0.181 0.000 0.819 373 A HN 0.353 nan 8.150 nan 0.000 0.448 374 K N -0.516 119.859 120.400 -0.042 0.000 1.984 374 K HA -0.017 4.303 4.320 -0.000 0.000 0.209 374 K C 1.943 178.377 176.600 -0.275 0.000 1.046 374 K CA 1.366 57.541 56.287 -0.187 0.000 0.934 374 K CB -0.529 31.752 32.500 -0.364 0.000 0.717 374 K HN 0.465 nan 8.250 nan 0.000 0.438 375 L N 0.040 121.020 121.223 -0.405 0.000 2.127 375 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 375 L C 1.409 177.880 176.870 -0.665 0.000 1.089 375 L CA 1.227 55.666 54.840 -0.667 0.000 0.757 375 L CB -0.202 41.289 42.059 -0.945 0.000 0.899 375 L HN 0.104 nan 8.230 nan 0.000 0.434 376 F N -0.429 119.430 119.950 -0.151 0.000 2.684 376 F HA 0.328 4.855 4.527 -0.000 0.000 0.298 376 F C 1.425 177.168 175.800 -0.096 0.000 1.120 376 F CA -0.127 57.801 58.000 -0.120 0.000 1.332 376 F CB -0.075 38.830 39.000 -0.158 0.000 0.986 376 F HN 0.034 nan 8.300 nan 0.000 0.524 377 G N 1.422 110.232 108.800 0.016 0.000 2.359 377 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.298 377 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.298 377 G C 0.365 175.264 174.900 -0.001 0.000 1.030 377 G CA 0.409 45.511 45.100 0.004 0.000 1.149 377 G HN 0.538 nan 8.290 nan 0.000 0.512 378 L N -1.454 119.783 121.223 0.025 0.000 3.086 378 L HA 0.424 4.764 4.340 -0.000 0.000 0.274 378 L C 0.755 177.630 176.870 0.008 0.000 1.184 378 L CA -0.545 54.284 54.840 -0.018 0.000 1.002 378 L CB 0.383 42.419 42.059 -0.038 0.000 1.383 378 L HN 0.325 nan 8.230 nan 0.000 0.582 379 F N 3.460 123.362 119.950 -0.079 0.000 2.394 379 F HA 0.401 4.928 4.527 -0.000 0.000 0.340 379 F C -1.476 174.283 175.800 -0.069 0.000 1.105 379 F CA -1.706 56.250 58.000 -0.073 0.000 1.124 379 F CB 1.205 40.158 39.000 -0.079 0.000 1.145 379 F HN -0.162 nan 8.300 nan 0.000 0.505 380 P HA 0.088 nan 4.420 nan 0.000 0.259 380 P C 0.468 177.425 177.300 -0.571 0.000 1.530 380 P CA 0.106 62.459 63.100 -1.245 0.000 1.022 380 P CB 0.273 31.245 31.700 -1.214 0.000 1.514 381 K N 0.764 120.972 120.400 -0.319 0.000 2.057 381 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 381 K C 0.612 177.094 176.600 -0.196 0.000 1.049 381 K CA 1.046 57.206 56.287 -0.213 0.000 0.931 381 K CB 0.203 32.608 32.500 -0.158 0.000 0.714 381 K HN -0.004 nan 8.250 nan 0.000 0.440 382 K N -1.718 118.574 120.400 -0.179 0.000 2.352 382 K HA 0.302 4.622 4.320 -0.000 0.000 0.240 382 K C 0.349 176.905 176.600 -0.074 0.000 1.017 382 K CA -0.089 56.129 56.287 -0.114 0.000 0.851 382 K CB 1.457 33.908 32.500 -0.082 0.000 1.261 382 K HN 0.271 nan 8.250 nan 0.000 0.451 383 G N -0.128 108.668 108.800 -0.007 0.000 2.176 383 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 383 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 383 G C 0.182 175.162 174.900 0.132 0.000 0.979 383 G CA 0.880 46.036 45.100 0.093 0.000 0.641 383 G HN 0.743 nan 8.290 nan 0.000 0.530 384 T N -0.980 113.592 114.554 0.029 0.000 2.786 384 T HA 0.565 4.915 4.350 -0.000 0.000 0.316 384 T C -1.313 173.396 174.700 0.015 0.000 1.503 384 T CA -0.444 61.695 62.100 0.065 0.000 1.019 384 T CB 1.166 70.113 68.868 0.132 0.000 1.415 384 T HN 0.580 nan 8.240 nan 0.000 0.496 385 I N 3.409 124.016 120.570 0.061 0.000 2.442 385 I HA 0.536 4.706 4.170 -0.000 0.000 0.279 385 I C -0.892 175.268 176.117 0.071 0.000 1.081 385 I CA -0.490 60.843 61.300 0.055 0.000 1.197 385 I CB 0.840 38.888 38.000 0.080 0.000 1.394 385 I HN 0.258 nan 8.210 nan 0.000 0.488 386 V N 4.567 124.492 119.914 0.018 0.000 3.087 386 V HA 0.281 4.401 4.120 -0.000 0.000 0.306 386 V C 0.106 176.191 176.094 -0.015 0.000 1.187 386 V CA -1.001 61.310 62.300 0.018 0.000 0.999 386 V CB 2.341 34.167 31.823 0.005 0.000 1.049 386 V HN 0.137 nan 8.190 nan 0.000 0.431 387 V N 3.178 123.090 119.914 -0.002 0.000 2.583 387 V HA 0.332 4.452 4.120 -0.000 0.000 0.302 387 V C 1.540 177.611 176.094 -0.039 0.000 1.033 387 V CA 2.176 64.468 62.300 -0.014 0.000 1.194 387 V CB -0.364 31.455 31.823 -0.006 0.000 0.879 387 V HN 1.548 nan 8.190 nan 0.000 0.482 388 G N 3.808 112.581 108.800 -0.046 0.000 2.284 388 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 388 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 388 G C 0.389 175.234 174.900 -0.091 0.000 1.009 388 G CA 0.059 45.120 45.100 -0.064 0.000 0.625 388 G HN 0.768 nan 8.290 nan 0.000 0.501 389 S N 1.734 117.369 115.700 -0.108 0.000 2.585 389 S HA 0.480 4.950 4.470 -0.000 0.000 0.273 389 S C -0.014 174.526 174.600 -0.101 0.000 1.339 389 S CA -0.394 57.721 58.200 -0.141 0.000 1.028 389 S CB 0.989 64.087 63.200 -0.170 0.000 0.906 389 S HN 0.379 nan 8.310 nan 0.000 0.528 390 D N 1.422 121.758 120.400 -0.107 0.000 2.449 390 D HA 0.243 4.883 4.640 -0.000 0.000 0.236 390 D C 0.239 176.501 176.300 -0.064 0.000 1.149 390 D CA 0.156 54.108 54.000 -0.080 0.000 0.878 390 D CB 0.359 41.108 40.800 -0.085 0.000 1.198 390 D HN 0.585 nan 8.370 nan 0.000 0.446 391 A N 2.116 124.905 122.820 -0.050 0.000 3.074 391 A HA 0.079 4.399 4.320 -0.000 0.000 0.251 391 A C -0.340 177.209 177.584 -0.057 0.000 1.695 391 A CA -0.318 51.687 52.037 -0.053 0.000 1.343 391 A CB -0.514 18.452 19.000 -0.057 0.000 1.078 391 A HN 0.277 nan 8.150 nan 0.000 0.644 392 D N 1.010 121.382 120.400 -0.047 0.000 2.441 392 D HA 0.499 5.139 4.640 -0.000 0.000 0.221 392 D C -0.160 176.122 176.300 -0.031 0.000 1.156 392 D CA 0.513 54.491 54.000 -0.037 0.000 0.896 392 D CB 0.504 41.285 40.800 -0.032 0.000 1.028 392 D HN 0.409 nan 8.370 nan 0.000 0.509 393 L N 1.063 122.256 121.223 -0.050 0.000 2.301 393 L HA 0.719 5.059 4.340 -0.000 0.000 0.264 393 L C -0.558 176.305 176.870 -0.013 0.000 1.016 393 L CA -1.290 53.532 54.840 -0.030 0.000 0.821 393 L CB 2.085 44.103 42.059 -0.069 0.000 1.346 393 L HN -0.096 nan 8.230 nan 0.000 0.429 394 V N 2.247 122.187 119.914 0.043 0.000 2.524 394 V HA 0.396 4.516 4.120 -0.000 0.000 0.297 394 V C -0.295 175.839 176.094 0.067 0.000 1.035 394 V CA -0.283 62.073 62.300 0.094 0.000 0.867 394 V CB 1.988 33.936 31.823 0.209 0.000 1.004 394 V HN 0.484 nan 8.190 nan 0.000 0.426 395 I N 5.514 126.119 120.570 0.059 0.000 2.291 395 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 395 I C -0.614 175.561 176.117 0.098 0.000 1.064 395 I CA -0.034 61.283 61.300 0.028 0.000 1.269 395 I CB 0.448 38.461 38.000 0.022 0.000 1.418 395 I HN 0.453 nan 8.210 nan 0.000 0.485 396 F N 5.944 125.801 119.950 -0.154 0.000 2.422 396 F HA 0.344 4.871 4.527 -0.000 0.000 0.333 396 F C 0.196 175.906 175.800 -0.150 0.000 1.095 396 F CA -0.587 57.337 58.000 -0.126 0.000 1.038 396 F CB 1.158 40.065 39.000 -0.156 0.000 1.156 396 F HN 0.346 nan 8.300 nan 0.000 0.483 397 D N 7.361 127.385 120.400 -0.626 0.000 2.427 397 D HA 0.253 4.893 4.640 -0.000 0.000 0.226 397 D C -2.010 173.947 176.300 -0.571 0.000 1.076 397 D CA -2.166 51.563 54.000 -0.452 0.000 0.849 397 D CB 1.982 42.587 40.800 -0.325 0.000 1.052 397 D HN 0.270 nan 8.370 nan 0.000 0.515 398 P HA 0.005 nan 4.420 nan 0.000 0.237 398 P C 0.306 177.702 177.300 0.160 0.000 1.178 398 P CA 0.386 63.543 63.100 0.096 0.000 0.766 398 P CB 0.723 32.624 31.700 0.335 0.000 0.876 399 N N -0.249 118.450 118.700 -0.000 0.000 2.397 399 N HA 0.119 4.859 4.740 -0.000 0.000 0.190 399 N C 0.975 176.486 175.510 0.002 0.000 1.099 399 N CA -0.148 52.917 53.050 0.025 0.000 0.876 399 N CB 0.208 38.692 38.487 -0.006 0.000 1.143 399 N HN 0.182 nan 8.380 nan 0.000 0.468 400 I N 2.760 123.299 120.570 -0.052 0.000 2.943 400 I HA -0.131 4.039 4.170 -0.000 0.000 0.296 400 I C 0.385 176.502 176.117 -0.001 0.000 1.220 400 I CA 0.890 62.164 61.300 -0.042 0.000 1.409 400 I CB 0.056 38.006 38.000 -0.083 0.000 1.374 400 I HN -0.092 nan 8.210 nan 0.000 0.545 401 E N 7.950 128.159 120.200 0.016 0.000 2.231 401 E HA 0.591 4.941 4.350 -0.000 0.000 0.277 401 E C -0.364 176.256 176.600 0.034 0.000 0.999 401 E CA -0.721 55.700 56.400 0.035 0.000 0.827 401 E CB 1.533 31.253 29.700 0.033 0.000 1.101 401 E HN 0.567 nan 8.360 nan 0.000 0.393 402 R N -0.451 120.078 120.500 0.049 0.000 2.762 402 R HA 0.639 4.979 4.340 -0.000 0.000 0.271 402 R C -1.598 174.741 176.300 0.064 0.000 1.038 402 R CA -0.870 55.260 56.100 0.051 0.000 0.906 402 R CB 0.855 31.186 30.300 0.052 0.000 1.259 402 R HN 0.230 nan 8.270 nan 0.000 0.457 403 V N 1.732 121.685 119.914 0.064 0.000 2.483 403 V HA 0.389 4.509 4.120 -0.000 0.000 0.297 403 V C 0.095 176.241 176.094 0.087 0.000 1.027 403 V CA -0.819 61.527 62.300 0.076 0.000 0.855 403 V CB 1.712 33.574 31.823 0.063 0.000 0.995 403 V HN 0.544 nan 8.190 nan 0.000 0.424 404 I N 4.022 124.663 120.570 0.119 0.000 2.587 404 I HA 0.277 4.447 4.170 -0.000 0.000 0.284 404 I C 0.546 176.733 176.117 0.117 0.000 1.134 404 I CA 0.982 62.369 61.300 0.144 0.000 1.410 404 I CB 0.853 38.982 38.000 0.216 0.000 1.392 404 I HN 0.673 nan 8.210 nan 0.000 0.545 405 S N 4.303 120.039 115.700 0.059 0.000 2.540 405 S HA 0.582 5.052 4.470 -0.000 0.000 0.275 405 S C 0.554 175.056 174.600 -0.164 0.000 1.123 405 S CA -0.226 57.965 58.200 -0.014 0.000 0.907 405 S CB 1.815 65.003 63.200 -0.020 0.000 1.081 405 S HN 0.673 nan 8.310 nan 0.000 0.476 406 A N 2.612 125.258 122.820 -0.288 0.000 2.125 406 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 406 A C 1.602 178.848 177.584 -0.564 0.000 1.156 406 A CA 1.776 53.329 52.037 -0.806 0.000 0.671 406 A CB -0.669 18.048 19.000 -0.473 0.000 0.794 406 A HN 0.864 nan 8.150 nan 0.000 0.459 407 E N -0.674 119.369 120.200 -0.262 0.000 2.418 407 E HA -0.053 4.297 4.350 -0.000 0.000 0.197 407 E C 1.373 177.869 176.600 -0.174 0.000 1.026 407 E CA 1.609 57.909 56.400 -0.166 0.000 0.862 407 E CB -0.001 29.645 29.700 -0.089 0.000 0.799 407 E HN 0.546 nan 8.360 nan 0.000 0.518 408 T N -1.646 112.788 114.554 -0.199 0.000 2.964 408 T HA 0.063 4.413 4.350 -0.000 0.000 0.250 408 T C 0.315 174.862 174.700 -0.254 0.000 0.982 408 T CA 0.002 61.987 62.100 -0.192 0.000 0.959 408 T CB -0.276 68.538 68.868 -0.090 0.000 1.141 408 T HN 0.436 nan 8.240 nan 0.000 0.494 409 H N 1.071 120.038 119.070 -0.172 0.000 2.913 409 H HA 0.102 4.658 4.556 -0.000 0.000 0.365 409 H C -0.076 175.076 175.328 -0.293 0.000 1.155 409 H CA -0.064 55.914 56.048 -0.117 0.000 1.417 409 H CB 0.405 30.161 29.762 -0.009 0.000 1.386 409 H HN 0.172 nan 8.280 nan 0.000 0.614 410 H N 1.261 120.296 119.070 -0.059 0.000 2.487 410 H HA 0.257 4.813 4.556 -0.000 0.000 0.290 410 H C -0.083 175.124 175.328 -0.202 0.000 1.081 410 H CA -0.317 55.625 56.048 -0.176 0.000 1.116 410 H CB -0.115 29.421 29.762 -0.378 0.000 1.560 410 H HN 0.462 nan 8.280 nan 0.000 0.548 411 M N -0.181 119.221 119.600 -0.329 0.000 2.342 411 M HA 0.395 4.875 4.480 -0.000 0.000 0.332 411 M C 1.070 177.205 176.300 -0.276 0.000 1.166 411 M CA -0.595 54.474 55.300 -0.386 0.000 1.086 411 M CB 1.491 33.730 32.600 -0.603 0.000 1.541 411 M HN 0.204 nan 8.290 nan 0.000 0.462 412 A N 1.797 124.523 122.820 -0.156 0.000 2.261 412 A HA 0.280 4.600 4.320 -0.000 0.000 0.208 412 A C 0.397 177.970 177.584 -0.018 0.000 1.223 412 A CA -0.173 51.828 52.037 -0.059 0.000 0.833 412 A CB -1.003 17.969 19.000 -0.046 0.000 0.830 412 A HN 0.611 nan 8.150 nan 0.000 0.483 413 V N -0.942 118.935 119.914 -0.062 0.000 2.686 413 V HA 0.263 4.383 4.120 -0.000 0.000 0.295 413 V C 0.781 176.977 176.094 0.170 0.000 1.057 413 V CA -0.163 62.147 62.300 0.016 0.000 1.012 413 V CB 1.042 32.778 31.823 -0.144 0.000 1.006 413 V HN 0.549 nan 8.190 nan 0.000 0.477 414 D N 0.457 120.986 120.400 0.214 0.000 2.363 414 D HA 0.070 4.710 4.640 -0.000 0.000 0.226 414 D C 0.107 176.585 176.300 0.296 0.000 1.020 414 D CA 0.519 54.663 54.000 0.239 0.000 0.892 414 D CB -0.328 40.617 40.800 0.243 0.000 0.900 414 D HN 0.792 nan 8.370 nan 0.000 0.531 415 Y N -2.421 117.972 120.300 0.155 0.000 2.705 415 Y HA 0.591 5.141 4.550 -0.000 0.000 0.332 415 Y C -1.887 174.109 175.900 0.160 0.000 1.221 415 Y CA -1.749 56.396 58.100 0.075 0.000 1.059 415 Y CB 0.894 39.350 38.460 -0.008 0.000 1.298 415 Y HN -0.168 nan 8.280 nan 0.000 0.459 416 N N 0.634 119.346 118.700 0.020 0.000 2.430 416 N HA 0.393 5.133 4.740 -0.000 0.000 0.290 416 N C 0.056 175.588 175.510 0.037 0.000 1.063 416 N CA 0.199 53.237 53.050 -0.020 0.000 0.883 416 N CB 2.343 40.917 38.487 0.146 0.000 1.465 416 N HN 1.101 nan 8.380 nan 0.000 0.493 417 A N 2.917 125.642 122.820 -0.158 0.000 2.139 417 A HA -0.077 4.243 4.320 -0.000 0.000 0.221 417 A C 0.437 177.892 177.584 -0.215 0.000 1.159 417 A CA 1.217 53.151 52.037 -0.172 0.000 0.662 417 A CB -0.544 18.238 19.000 -0.363 0.000 0.796 417 A HN 0.544 nan 8.150 nan 0.000 0.463 418 F N -0.166 119.919 119.950 0.226 0.000 2.850 418 F HA 0.341 4.868 4.527 -0.000 0.000 0.306 418 F C 0.441 176.346 175.800 0.175 0.000 1.162 418 F CA -1.276 56.840 58.000 0.192 0.000 1.327 418 F CB -0.280 38.801 39.000 0.136 0.000 0.953 418 F HN 0.074 nan 8.300 nan 0.000 0.507 419 E N 0.909 121.275 120.200 0.277 0.000 2.558 419 E HA 0.322 4.672 4.350 -0.000 0.000 0.255 419 E C 1.422 178.136 176.600 0.190 0.000 0.968 419 E CA 1.095 57.612 56.400 0.196 0.000 0.939 419 E CB 0.261 30.054 29.700 0.154 0.000 0.921 419 E HN 0.556 nan 8.360 nan 0.000 0.477 420 G N 3.861 112.748 108.800 0.145 0.000 2.234 420 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.260 420 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.260 420 G C 0.462 175.445 174.900 0.138 0.000 0.987 420 G CA 0.305 45.479 45.100 0.123 0.000 0.625 420 G HN 0.618 nan 8.290 nan 0.000 0.532 421 M N 1.605 121.315 119.600 0.183 0.000 2.246 421 M HA 0.365 4.845 4.480 -0.000 0.000 0.350 421 M C 0.720 177.096 176.300 0.126 0.000 1.406 421 M CA 0.017 55.421 55.300 0.174 0.000 1.089 421 M CB 0.426 33.161 32.600 0.225 0.000 1.782 421 M HN 0.190 nan 8.290 nan 0.000 0.457 422 K N 4.682 125.143 120.400 0.101 0.000 2.249 422 K HA 0.473 4.793 4.320 -0.000 0.000 0.280 422 K C -1.811 174.838 176.600 0.081 0.000 1.033 422 K CA -0.478 55.858 56.287 0.082 0.000 0.946 422 K CB 0.827 33.367 32.500 0.065 0.000 1.005 422 K HN 0.633 nan 8.250 nan 0.000 0.469 423 V N 2.768 122.734 119.914 0.086 0.000 2.841 423 V HA 0.270 4.390 4.120 -0.000 0.000 0.310 423 V C -0.660 175.503 176.094 0.115 0.000 1.090 423 V CA -0.874 61.488 62.300 0.103 0.000 0.930 423 V CB 2.368 34.262 31.823 0.118 0.000 1.014 423 V HN 0.870 nan 8.190 nan 0.000 0.425 424 T N 2.766 117.410 114.554 0.150 0.000 2.794 424 T HA 0.743 5.093 4.350 -0.000 0.000 0.280 424 T C 0.103 174.996 174.700 0.321 0.000 0.987 424 T CA 0.366 62.572 62.100 0.177 0.000 0.993 424 T CB 1.225 70.183 68.868 0.150 0.000 0.939 424 T HN 1.637 nan 8.240 nan 0.000 0.449 425 G N 2.216 111.116 108.800 0.167 0.000 2.788 425 G HA2 0.143 4.103 3.960 -0.000 0.000 0.686 425 G HA3 0.143 4.103 3.960 -0.000 0.000 0.686 425 G C -0.988 173.734 174.900 -0.296 0.000 1.147 425 G CA -0.614 44.439 45.100 -0.079 0.000 0.755 425 G HN 0.877 nan 8.290 nan 0.000 0.634 426 E N 2.069 121.709 120.200 -0.933 0.000 2.378 426 E HA 0.573 4.923 4.350 -0.000 0.000 0.283 426 E C -3.030 173.221 176.600 -0.582 0.000 0.979 426 E CA -2.000 54.112 56.400 -0.479 0.000 0.795 426 E CB 2.595 32.204 29.700 -0.153 0.000 1.221 426 E HN 0.352 nan 8.360 nan 0.000 0.428 427 P HA 0.041 nan 4.420 nan 0.000 0.271 427 P C -0.069 177.284 177.300 0.090 0.000 1.220 427 P CA -0.144 63.099 63.100 0.237 0.000 0.768 427 P CB 1.209 33.116 31.700 0.344 0.000 0.848 428 V N 1.451 121.402 119.914 0.061 0.000 2.690 428 V HA 0.085 4.205 4.120 -0.000 0.000 0.240 428 V C 0.656 176.800 176.094 0.083 0.000 1.078 428 V CA 1.220 63.549 62.300 0.048 0.000 1.102 428 V CB 0.054 31.879 31.823 0.003 0.000 0.800 428 V HN 0.431 nan 8.190 nan 0.000 0.479 429 S N -0.209 115.549 115.700 0.097 0.000 2.557 429 S HA 0.680 5.150 4.470 -0.000 0.000 0.291 429 S C -0.910 173.730 174.600 0.067 0.000 1.116 429 S CA -0.320 57.960 58.200 0.134 0.000 0.992 429 S CB 2.376 65.726 63.200 0.249 0.000 1.028 429 S HN 0.021 nan 8.310 nan 0.000 0.484 430 V N 4.953 124.883 119.914 0.025 0.000 2.443 430 V HA 0.521 4.641 4.120 -0.000 0.000 0.293 430 V C -0.608 175.426 176.094 -0.101 0.000 1.021 430 V CA -0.719 61.564 62.300 -0.029 0.000 0.848 430 V CB 1.009 32.818 31.823 -0.023 0.000 0.998 430 V HN 0.779 nan 8.190 nan 0.000 0.424 431 L N 2.543 123.653 121.223 -0.187 0.000 2.346 431 L HA 0.826 5.166 4.340 -0.000 0.000 0.276 431 L C -0.430 176.372 176.870 -0.112 0.000 1.006 431 L CA -0.434 54.258 54.840 -0.248 0.000 0.817 431 L CB 1.800 43.515 42.059 -0.573 0.000 1.272 431 L HN 0.613 nan 8.230 nan 0.000 0.421 432 C N 4.190 123.478 119.300 -0.019 0.000 2.264 432 C HA 0.509 4.969 4.460 -0.000 0.000 0.324 432 C C 0.908 175.985 174.990 0.144 0.000 1.267 432 C CA -0.250 58.819 59.018 0.086 0.000 1.618 432 C CB -0.289 27.575 27.740 0.207 0.000 2.278 432 C HN 1.042 nan 8.230 nan 0.000 0.499 433 R N 4.513 125.043 120.500 0.051 0.000 3.205 433 R HA -0.174 4.166 4.340 -0.000 0.000 0.249 433 R C 1.233 177.566 176.300 0.056 0.000 0.937 433 R CA 0.815 56.943 56.100 0.045 0.000 0.641 433 R CB -1.657 28.673 30.300 0.050 0.000 1.114 433 R HN 1.778 nan 8.270 nan 0.000 0.451 434 G N -0.824 107.961 108.800 -0.025 0.000 2.270 434 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.268 434 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.268 434 G C -0.004 174.845 174.900 -0.085 0.000 0.982 434 G CA 0.948 46.014 45.100 -0.058 0.000 0.628 434 G HN 0.443 nan 8.290 nan 0.000 0.544 435 E N -0.038 120.128 120.200 -0.057 0.000 2.179 435 E HA 0.589 4.939 4.350 -0.000 0.000 0.275 435 E C -0.045 176.446 176.600 -0.181 0.000 0.945 435 E CA -0.992 55.342 56.400 -0.111 0.000 0.792 435 E CB 0.739 30.294 29.700 -0.242 0.000 1.125 435 E HN 0.144 nan 8.360 nan 0.000 0.397 436 F N 1.169 121.013 119.950 -0.176 0.000 2.518 436 F HA -0.027 4.500 4.527 -0.000 0.000 0.359 436 F C 1.644 177.295 175.800 -0.249 0.000 1.118 436 F CA 0.102 57.998 58.000 -0.174 0.000 1.287 436 F CB 0.466 39.369 39.000 -0.162 0.000 1.132 436 F HN 0.210 nan 8.300 nan 0.000 0.587 437 V N 2.137 122.026 119.914 -0.041 0.000 3.484 437 V HA 0.154 4.274 4.120 -0.000 0.000 0.252 437 V C -0.223 175.794 176.094 -0.130 0.000 1.282 437 V CA 0.260 62.499 62.300 -0.101 0.000 1.104 437 V CB 0.835 32.654 31.823 -0.006 0.000 0.868 437 V HN 0.456 nan 8.190 nan 0.000 0.457 438 V N 1.570 121.430 119.914 -0.090 0.000 2.577 438 V HA 0.448 4.568 4.120 -0.000 0.000 0.294 438 V C -0.589 175.525 176.094 0.032 0.000 1.052 438 V CA -0.634 61.564 62.300 -0.170 0.000 0.891 438 V CB 2.098 33.654 31.823 -0.444 0.000 1.017 438 V HN 0.342 nan 8.190 nan 0.000 0.436 439 R N 3.558 124.069 120.500 0.019 0.000 2.445 439 R HA 0.398 4.738 4.340 -0.000 0.000 0.308 439 R C -0.660 175.640 176.300 -0.000 0.000 0.961 439 R CA -0.378 55.737 56.100 0.024 0.000 0.862 439 R CB 1.075 31.197 30.300 -0.297 0.000 1.144 439 R HN 0.808 nan 8.270 nan 0.000 0.447 440 D N 4.611 125.030 120.400 0.031 0.000 2.735 440 D HA -0.180 4.460 4.640 -0.000 0.000 0.235 440 D C -0.491 175.861 176.300 0.088 0.000 1.175 440 D CA 1.262 55.284 54.000 0.036 0.000 0.683 440 D CB -0.392 40.404 40.800 -0.006 0.000 1.008 440 D HN 0.805 nan 8.370 nan 0.000 0.416 441 K N -1.751 118.731 120.400 0.136 0.000 2.960 441 K HA -0.274 4.046 4.320 -0.000 0.000 0.259 441 K C 0.305 177.139 176.600 0.390 0.000 1.025 441 K CA 0.997 57.442 56.287 0.264 0.000 0.756 441 K CB -0.495 32.130 32.500 0.208 0.000 1.221 441 K HN 0.376 nan 8.250 nan 0.000 0.483 442 Q N 0.164 120.131 119.800 0.279 0.000 2.323 442 Q HA 0.283 4.623 4.340 -0.000 0.000 0.271 442 Q C -1.169 174.975 176.000 0.240 0.000 1.048 442 Q CA -0.761 55.232 55.803 0.317 0.000 0.792 442 Q CB 1.335 30.169 28.738 0.159 0.000 1.280 442 Q HN 0.135 nan 8.270 nan 0.000 0.441 443 F N 3.761 123.869 119.950 0.263 0.000 2.538 443 F HA 0.141 4.668 4.527 -0.000 0.000 0.371 443 F C 0.765 176.579 175.800 0.023 0.000 1.087 443 F CA 0.290 58.329 58.000 0.064 0.000 1.250 443 F CB 0.544 39.708 39.000 0.273 0.000 1.110 443 F HN 0.269 nan 8.300 nan 0.000 0.570 444 V N 3.590 122.964 119.914 -0.900 0.000 3.415 444 V HA 0.517 4.637 4.120 -0.000 0.000 0.315 444 V C 0.648 176.219 176.094 -0.872 0.000 1.516 444 V CA 0.364 62.226 62.300 -0.730 0.000 1.122 444 V CB -0.355 31.258 31.823 -0.351 0.000 0.988 444 V HN 0.900 nan 8.190 nan 0.000 0.474 445 G N 0.838 108.743 108.800 -1.492 0.000 2.525 445 G HA2 0.635 4.595 3.960 -0.000 0.000 0.287 445 G HA3 0.635 4.595 3.960 -0.000 0.000 0.287 445 G C -0.666 174.027 174.900 -0.344 0.000 1.350 445 G CA -0.797 43.905 45.100 -0.664 0.000 1.039 445 G HN 0.446 nan 8.290 nan 0.000 0.513 446 K N 1.146 121.573 120.400 0.046 0.000 2.581 446 K HA 0.284 4.604 4.320 -0.000 0.000 0.249 446 K C -2.831 173.917 176.600 0.247 0.000 0.966 446 K CA -1.582 54.801 56.287 0.160 0.000 0.811 446 K CB 3.001 35.544 32.500 0.070 0.000 1.223 446 K HN 0.287 nan 8.250 nan 0.000 0.438 447 P HA -0.079 nan 4.420 nan 0.000 0.261 447 P C 0.561 177.962 177.300 0.168 0.000 1.183 447 P CA 1.020 64.237 63.100 0.194 0.000 0.761 447 P CB 0.762 32.548 31.700 0.144 0.000 0.785 448 G N 2.935 111.839 108.800 0.174 0.000 2.253 448 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.209 448 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.209 448 G C 0.703 175.712 174.900 0.183 0.000 0.997 448 G CA 0.160 45.351 45.100 0.152 0.000 0.640 448 G HN 0.497 nan 8.290 nan 0.000 0.496 449 Y N 2.199 122.560 120.300 0.103 0.000 2.274 449 Y HA 0.319 4.869 4.550 -0.000 0.000 0.290 449 Y C 1.915 177.879 175.900 0.108 0.000 1.145 449 Y CA 1.623 59.776 58.100 0.088 0.000 1.203 449 Y CB -0.401 38.104 38.460 0.074 0.000 0.984 449 Y HN 0.436 nan 8.280 nan 0.000 0.533 450 G N 1.997 110.882 108.800 0.143 0.000 2.398 450 G HA2 0.339 4.299 3.960 -0.000 0.000 0.246 450 G HA3 0.339 4.299 3.960 -0.000 0.000 0.246 450 G C -0.989 174.020 174.900 0.183 0.000 1.289 450 G CA -0.450 44.728 45.100 0.130 0.000 0.869 450 G HN 0.520 nan 8.290 nan 0.000 0.543 451 Q N 1.397 121.218 119.800 0.034 0.000 2.348 451 Q HA 0.428 4.768 4.340 -0.000 0.000 0.271 451 Q C -1.038 174.720 176.000 -0.404 0.000 1.067 451 Q CA -1.140 54.640 55.803 -0.039 0.000 0.839 451 Q CB 1.876 30.535 28.738 -0.132 0.000 1.354 451 Q HN 0.539 nan 8.270 nan 0.000 0.447 452 Y N 1.884 121.792 120.300 -0.654 0.000 2.550 452 Y HA 0.267 4.817 4.550 -0.000 0.000 0.343 452 Y C -1.132 174.424 175.900 -0.573 0.000 1.245 452 Y CA 0.168 57.664 58.100 -1.007 0.000 1.462 452 Y CB 0.592 38.796 38.460 -0.426 0.000 1.340 452 Y HN 0.590 nan 8.280 nan 0.000 0.604 453 L N 6.564 126.864 121.223 -1.539 0.000 2.376 453 L HA 0.422 4.762 4.340 -0.000 0.000 0.275 453 L C -0.565 175.655 176.870 -1.084 0.000 0.987 453 L CA -0.941 53.303 54.840 -0.993 0.000 0.828 453 L CB 1.648 43.305 42.059 -0.669 0.000 1.249 453 L HN 0.551 nan 8.230 nan 0.000 0.409 454 K N 3.822 123.895 120.400 -0.545 0.000 2.276 454 K HA 0.474 4.794 4.320 -0.000 0.000 0.283 454 K C -0.507 175.963 176.600 -0.216 0.000 1.044 454 K CA -0.555 55.582 56.287 -0.251 0.000 0.944 454 K CB 1.398 33.871 32.500 -0.045 0.000 1.012 454 K HN 0.516 nan 8.250 nan 0.000 0.472 455 R N 0.983 121.392 120.500 -0.152 0.000 2.668 455 R HA 0.387 4.727 4.340 -0.000 0.000 0.279 455 R C -0.242 176.034 176.300 -0.039 0.000 0.976 455 R CA -0.799 55.238 56.100 -0.104 0.000 0.978 455 R CB 1.558 31.797 30.300 -0.101 0.000 1.133 455 R HN 0.660 nan 8.270 nan 0.000 0.484 456 A N 1.543 124.347 122.820 -0.027 0.000 2.536 456 A HA -0.044 4.276 4.320 -0.000 0.000 0.234 456 A C 0.504 178.102 177.584 0.024 0.000 1.076 456 A CA 0.226 52.259 52.037 -0.006 0.000 0.769 456 A CB 0.141 19.134 19.000 -0.012 0.000 1.020 456 A HN 0.798 nan 8.150 nan 0.000 0.508 457 K N 0.247 120.666 120.400 0.033 0.000 2.706 457 K HA 0.062 4.382 4.320 -0.000 0.000 0.217 457 K C -0.574 176.116 176.600 0.151 0.000 1.019 457 K CA 0.266 56.593 56.287 0.067 0.000 1.181 457 K CB -0.565 31.964 32.500 0.048 0.000 0.940 457 K HN 0.750 nan 8.250 nan 0.000 0.491 458 Y N -2.878 117.386 120.300 -0.061 0.000 4.644 458 Y HA -0.292 4.258 4.550 -0.000 0.000 0.241 458 Y C -0.043 175.818 175.900 -0.065 0.000 1.077 458 Y CA 0.758 58.805 58.100 -0.088 0.000 2.080 458 Y CB -1.333 37.078 38.460 -0.081 0.000 1.613 458 Y HN 0.241 nan 8.280 nan 0.000 0.686 459 G N -0.762 107.997 108.800 -0.068 0.000 3.217 459 G HA2 0.526 4.486 3.960 -0.000 0.000 0.213 459 G HA3 0.526 4.486 3.960 -0.000 0.000 0.213 459 G C 0.071 174.923 174.900 -0.080 0.000 1.294 459 G CA 0.011 45.058 45.100 -0.089 0.000 0.987 459 G HN 0.227 nan 8.290 nan 0.000 0.584 460 T N 0.000 114.524 114.554 -0.049 0.000 3.816 460 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 460 T CA 0.000 62.086 62.100 -0.024 0.000 1.349 460 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 460 T HN 0.000 nan 8.240 nan 0.000 0.658