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_F 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 0.019 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.610 32.600 0.017 0.000 1.302 2 T N 3.273 117.836 114.554 0.015 0.000 2.923 2 T HA 0.108 4.458 4.350 -0.000 0.000 0.309 2 T C 0.002 174.714 174.700 0.020 0.000 1.059 2 T CA 0.499 62.608 62.100 0.014 0.000 1.133 2 T CB 0.326 69.200 68.868 0.011 0.000 1.053 2 T HN 0.474 nan 8.240 nan 0.000 0.530 3 K N 1.733 122.144 120.400 0.019 0.000 2.480 3 K HA 0.702 5.022 4.320 -0.000 0.000 0.258 3 K C -0.986 175.623 176.600 0.015 0.000 0.990 3 K CA -0.873 55.431 56.287 0.028 0.000 0.857 3 K CB 2.338 34.863 32.500 0.042 0.000 1.384 3 K HN 0.409 nan 8.250 nan 0.000 0.446 4 I N 2.612 123.190 120.570 0.014 0.000 2.534 4 I HA 0.306 4.476 4.170 -0.000 0.000 0.286 4 I C -0.880 175.227 176.117 -0.016 0.000 1.094 4 I CA -0.571 60.729 61.300 0.000 0.000 1.055 4 I CB 1.651 39.643 38.000 -0.013 0.000 1.225 4 I HN 0.409 nan 8.210 nan 0.000 0.435 5 I N 7.215 127.779 120.570 -0.011 0.000 2.291 5 I HA 0.243 4.413 4.170 -0.000 0.000 0.290 5 I C 0.151 176.250 176.117 -0.031 0.000 1.050 5 I CA -0.449 60.839 61.300 -0.020 0.000 1.245 5 I CB 0.580 38.567 38.000 -0.022 0.000 1.405 5 I HN 0.561 nan 8.210 nan 0.000 0.478 6 K N 5.149 125.466 120.400 -0.138 0.000 2.185 6 K HA 0.520 4.840 4.320 -0.000 0.000 0.240 6 K C 0.244 176.787 176.600 -0.094 0.000 0.983 6 K CA -0.774 55.311 56.287 -0.336 0.000 0.873 6 K CB 1.016 32.992 32.500 -0.873 0.000 1.118 6 K HN 0.421 nan 8.250 nan 0.000 0.441 7 N N -1.160 117.605 118.700 0.108 0.000 2.741 7 N HA -0.151 4.589 4.740 -0.000 0.000 0.251 7 N C -0.233 175.306 175.510 0.047 0.000 1.112 7 N CA 1.346 54.471 53.050 0.124 0.000 0.750 7 N CB -1.452 37.049 38.487 0.022 0.000 1.119 7 N HN 0.903 nan 8.380 nan 0.000 0.561 8 G N -0.764 108.063 108.800 0.045 0.000 2.462 8 G HA2 0.566 4.526 3.960 -0.000 0.000 0.319 8 G HA3 0.566 4.526 3.960 -0.000 0.000 0.319 8 G C -0.345 174.527 174.900 -0.047 0.000 1.171 8 G CA -0.123 44.962 45.100 -0.026 0.000 0.920 8 G HN 0.032 nan 8.290 nan 0.000 0.499 9 T N 1.578 116.099 114.554 -0.054 0.000 2.753 9 T HA 0.346 4.696 4.350 -0.000 0.000 0.297 9 T C 0.509 175.188 174.700 -0.036 0.000 0.981 9 T CA -0.026 62.064 62.100 -0.017 0.000 0.956 9 T CB 0.489 69.415 68.868 0.096 0.000 0.936 9 T HN 0.277 nan 8.240 nan 0.000 0.463 10 I N 3.400 123.814 120.570 -0.259 0.000 2.496 10 I HA 0.257 4.427 4.170 -0.000 0.000 0.285 10 I C -0.194 175.841 176.117 -0.138 0.000 1.080 10 I CA -0.363 60.738 61.300 -0.331 0.000 1.404 10 I CB 0.849 38.357 38.000 -0.820 0.000 1.403 10 I HN 0.257 nan 8.210 nan 0.000 0.539 11 V N 5.348 125.286 119.914 0.040 0.000 2.445 11 V HA 0.224 4.344 4.120 -0.000 0.000 0.283 11 V C 0.321 176.559 176.094 0.239 0.000 1.014 11 V CA -0.628 61.776 62.300 0.174 0.000 0.852 11 V CB 1.301 33.258 31.823 0.223 0.000 1.021 11 V HN 0.918 nan 8.190 nan 0.000 0.435 12 T N 1.598 116.274 114.554 0.204 0.000 2.888 12 T HA 0.639 4.989 4.350 -0.000 0.000 0.283 12 T C 1.458 176.233 174.700 0.124 0.000 1.013 12 T CA 0.141 62.343 62.100 0.170 0.000 0.938 12 T CB 1.667 70.646 68.868 0.185 0.000 1.298 12 T HN 0.621 nan 8.240 nan 0.000 0.580 13 A N -0.375 122.498 122.820 0.088 0.000 2.172 13 A HA 0.163 4.483 4.320 -0.000 0.000 0.216 13 A C 2.033 179.651 177.584 0.057 0.000 1.154 13 A CA 1.519 53.583 52.037 0.046 0.000 0.701 13 A CB -1.157 17.854 19.000 0.017 0.000 0.789 13 A HN 0.864 nan 8.150 nan 0.000 0.465 14 T N -1.210 113.394 114.554 0.082 0.000 3.176 14 T HA 0.119 4.469 4.350 -0.000 0.000 0.259 14 T C 0.101 174.861 174.700 0.100 0.000 0.978 14 T CA -0.080 62.064 62.100 0.074 0.000 1.050 14 T CB 0.106 69.007 68.868 0.055 0.000 1.136 14 T HN 0.355 nan 8.240 nan 0.000 0.465 15 D N 2.167 122.654 120.400 0.145 0.000 2.277 15 D HA 0.516 5.156 4.640 -0.000 0.000 0.250 15 D C -0.678 175.793 176.300 0.284 0.000 1.032 15 D CA 0.169 54.294 54.000 0.208 0.000 0.947 15 D CB 1.600 42.531 40.800 0.218 0.000 1.159 15 D HN 0.081 nan 8.370 nan 0.000 0.460 16 T N 1.216 115.969 114.554 0.332 0.000 3.187 16 T HA 0.374 4.724 4.350 -0.000 0.000 0.328 16 T C -1.008 173.896 174.700 0.339 0.000 0.951 16 T CA -0.775 61.485 62.100 0.267 0.000 1.049 16 T CB 0.058 69.036 68.868 0.183 0.000 1.015 16 T HN 0.362 nan 8.240 nan 0.000 0.461 17 Y N -0.533 119.818 120.300 0.085 0.000 2.689 17 Y HA 0.796 5.346 4.550 -0.000 0.000 0.333 17 Y C -0.992 174.943 175.900 0.058 0.000 1.190 17 Y CA -1.753 56.384 58.100 0.061 0.000 1.063 17 Y CB 1.070 39.553 38.460 0.038 0.000 1.294 17 Y HN 0.283 nan 8.280 nan 0.000 0.466 18 E N 1.126 121.364 120.200 0.063 0.000 2.151 18 E HA 0.769 5.119 4.350 -0.000 0.000 0.275 18 E C -0.955 175.632 176.600 -0.022 0.000 0.936 18 E CA -0.861 55.518 56.400 -0.035 0.000 0.777 18 E CB 1.810 31.518 29.700 0.012 0.000 1.108 18 E HN 0.923 nan 8.360 nan 0.000 0.401 19 A N 2.881 125.637 122.820 -0.107 0.000 2.511 19 A HA 0.499 4.819 4.320 -0.000 0.000 0.293 19 A C -1.699 175.844 177.584 -0.068 0.000 1.098 19 A CA -0.901 51.050 52.037 -0.144 0.000 0.643 19 A CB 1.077 20.121 19.000 0.073 0.000 1.302 19 A HN 0.585 nan 8.150 nan 0.000 0.446 20 H N -0.370 118.713 119.070 0.022 0.000 2.573 20 H HA 0.700 5.255 4.556 -0.000 0.000 0.351 20 H C -0.963 174.374 175.328 0.014 0.000 1.163 20 H CA -0.873 55.178 56.048 0.005 0.000 1.205 20 H CB 1.192 30.960 29.762 0.010 0.000 1.605 20 H HN 0.517 nan 8.280 nan 0.000 0.525 21 L N 2.798 124.100 121.223 0.132 0.000 2.313 21 L HA 0.256 4.596 4.340 -0.000 0.000 0.283 21 L C -0.403 176.499 176.870 0.054 0.000 1.013 21 L CA -1.033 53.850 54.840 0.071 0.000 0.816 21 L CB 1.633 43.709 42.059 0.029 0.000 1.236 21 L HN 0.181 nan 8.230 nan 0.000 0.419 22 L N 5.538 126.789 121.223 0.047 0.000 2.264 22 L HA 0.492 4.832 4.340 -0.000 0.000 0.287 22 L C -0.323 176.555 176.870 0.013 0.000 1.039 22 L CA 0.127 54.986 54.840 0.031 0.000 0.829 22 L CB 0.561 42.641 42.059 0.035 0.000 1.211 22 L HN 0.369 nan 8.230 nan 0.000 0.427 23 I N 5.236 125.807 120.570 0.002 0.000 2.428 23 I HA 0.285 4.455 4.170 -0.000 0.000 0.289 23 I C 0.376 176.491 176.117 -0.003 0.000 1.019 23 I CA -0.302 60.992 61.300 -0.010 0.000 1.351 23 I CB 1.281 39.263 38.000 -0.029 0.000 1.412 23 I HN 0.664 nan 8.210 nan 0.000 0.513 24 K N 3.033 123.430 120.400 -0.005 0.000 3.959 24 K HA 0.201 4.521 4.320 -0.000 0.000 0.251 24 K C 0.089 176.688 176.600 -0.001 0.000 1.293 24 K CA 0.047 56.333 56.287 -0.001 0.000 1.563 24 K CB -0.051 32.448 32.500 -0.002 0.000 2.393 24 K HN 0.414 nan 8.250 nan 0.000 0.488 25 D N 0.325 120.722 120.400 -0.005 0.000 2.841 25 D HA 0.216 4.856 4.640 -0.000 0.000 0.244 25 D C 0.008 176.305 176.300 -0.005 0.000 1.228 25 D CA 1.161 55.159 54.000 -0.004 0.000 0.872 25 D CB -0.321 40.473 40.800 -0.010 0.000 1.082 25 D HN 0.664 nan 8.370 nan 0.000 0.457 26 G N 0.478 109.278 108.800 -0.000 0.000 2.184 26 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.264 26 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.264 26 G C 0.403 175.292 174.900 -0.019 0.000 0.975 26 G CA 0.191 45.293 45.100 0.003 0.000 0.642 26 G HN 0.423 nan 8.290 nan 0.000 0.536 27 K N -0.714 119.671 120.400 -0.025 0.000 2.352 27 K HA 0.714 5.034 4.320 -0.000 0.000 0.240 27 K C 0.022 176.604 176.600 -0.030 0.000 1.017 27 K CA -1.218 55.047 56.287 -0.036 0.000 0.851 27 K CB 1.783 34.258 32.500 -0.041 0.000 1.261 27 K HN 0.078 nan 8.250 nan 0.000 0.451 28 I N 2.300 122.851 120.570 -0.032 0.000 2.363 28 I HA -0.001 4.169 4.170 -0.000 0.000 0.292 28 I C 0.992 177.102 176.117 -0.012 0.000 1.075 28 I CA 0.077 61.366 61.300 -0.018 0.000 1.333 28 I CB 1.187 39.179 38.000 -0.014 0.000 1.415 28 I HN 0.830 nan 8.210 nan 0.000 0.502 29 A N 7.965 130.783 122.820 -0.003 0.000 1.878 29 A HA 0.164 4.484 4.320 -0.000 0.000 0.213 29 A C 0.775 178.363 177.584 0.007 0.000 1.192 29 A CA 0.937 52.974 52.037 -0.000 0.000 0.619 29 A CB 0.153 19.154 19.000 0.003 0.000 0.837 29 A HN 0.788 nan 8.150 nan 0.000 0.446 30 M N -2.468 117.143 119.600 0.018 0.000 2.643 30 M HA 0.678 5.158 4.480 -0.000 0.000 0.276 30 M C -2.024 174.304 176.300 0.047 0.000 1.200 30 M CA -0.520 54.797 55.300 0.028 0.000 0.863 30 M CB 1.496 34.111 32.600 0.024 0.000 1.711 30 M HN -0.046 nan 8.290 nan 0.000 0.492 31 I N 0.897 121.501 120.570 0.057 0.000 2.569 31 I HA 0.989 5.159 4.170 -0.000 0.000 0.296 31 I C 0.160 176.320 176.117 0.070 0.000 1.028 31 I CA -0.595 60.758 61.300 0.089 0.000 1.082 31 I CB 2.181 40.268 38.000 0.145 0.000 1.264 31 I HN 1.045 nan 8.210 nan 0.000 0.429 32 G N 4.242 113.076 108.800 0.058 0.000 2.320 32 G HA2 0.332 4.292 3.960 -0.000 0.000 0.296 32 G HA3 0.332 4.292 3.960 -0.000 0.000 0.296 32 G C -2.173 172.662 174.900 -0.108 0.000 1.306 32 G CA -0.781 44.323 45.100 0.006 0.000 0.836 32 G HN 0.575 nan 8.290 nan 0.000 0.517 33 Q N -0.317 119.391 119.800 -0.153 0.000 2.257 33 Q HA 0.585 4.925 4.340 -0.000 0.000 0.262 33 Q C -0.336 175.591 176.000 -0.120 0.000 0.997 33 Q CA -0.954 54.631 55.803 -0.363 0.000 0.873 33 Q CB 1.514 30.112 28.738 -0.233 0.000 1.312 33 Q HN 0.508 nan 8.270 nan 0.000 0.450 34 N N 0.710 119.420 118.700 0.017 0.000 2.714 34 N HA -0.167 4.573 4.740 -0.000 0.000 0.253 34 N C -0.904 174.737 175.510 0.218 0.000 1.024 34 N CA 0.675 53.877 53.050 0.252 0.000 0.726 34 N CB -1.394 37.158 38.487 0.108 0.000 0.908 34 N HN 0.608 nan 8.380 nan 0.000 0.542 35 L N 0.222 121.658 121.223 0.354 0.000 2.436 35 L HA 0.317 4.657 4.340 -0.000 0.000 0.265 35 L C 0.841 177.768 176.870 0.096 0.000 1.168 35 L CA 0.303 55.246 54.840 0.172 0.000 0.815 35 L CB 0.614 42.779 42.059 0.175 0.000 1.109 35 L HN 0.145 nan 8.230 nan 0.000 0.462 36 E N 1.549 121.783 120.200 0.056 0.000 2.372 36 E HA 0.451 4.801 4.350 -0.000 0.000 0.279 36 E C -1.423 175.190 176.600 0.022 0.000 0.946 36 E CA -0.719 55.699 56.400 0.030 0.000 0.769 36 E CB 2.984 32.700 29.700 0.026 0.000 1.230 36 E HN 0.496 nan 8.360 nan 0.000 0.442 37 E N 2.411 122.619 120.200 0.013 0.000 2.683 37 E HA 0.046 4.396 4.350 -0.000 0.000 0.339 37 E C -1.491 175.113 176.600 0.006 0.000 0.921 37 E CA -0.389 56.018 56.400 0.011 0.000 0.786 37 E CB 1.238 30.945 29.700 0.013 0.000 1.363 37 E HN 0.353 nan 8.360 nan 0.000 0.401 38 K N 2.311 122.713 120.400 0.004 0.000 2.511 38 K HA 0.102 4.422 4.320 -0.000 0.000 0.277 38 K C 0.205 176.806 176.600 0.001 0.000 1.025 38 K CA 1.729 58.017 56.287 0.001 0.000 1.112 38 K CB 0.016 32.517 32.500 0.001 0.000 0.859 38 K HN 0.750 nan 8.250 nan 0.000 0.485 39 G N 2.658 111.457 108.800 -0.001 0.000 2.815 39 G HA2 0.003 3.963 3.960 -0.000 0.000 0.234 39 G HA3 0.003 3.963 3.960 -0.000 0.000 0.234 39 G C 0.129 175.031 174.900 0.003 0.000 0.971 39 G CA -0.115 44.985 45.100 -0.000 0.000 1.124 39 G HN 0.927 nan 8.290 nan 0.000 0.435 40 A N 1.860 124.682 122.820 0.003 0.000 2.709 40 A HA 0.668 4.988 4.320 -0.000 0.000 0.212 40 A C 1.154 178.746 177.584 0.013 0.000 1.280 40 A CA 1.411 53.453 52.037 0.008 0.000 1.034 40 A CB -0.127 18.875 19.000 0.005 0.000 1.255 40 A HN 2.070 nan 8.150 nan 0.000 0.547 41 E N -1.075 119.129 120.200 0.006 0.000 3.904 41 E HA -0.243 4.106 4.350 -0.000 0.000 0.316 41 E C -0.139 176.464 176.600 0.005 0.000 0.643 41 E CA 0.806 57.210 56.400 0.007 0.000 1.129 41 E CB -1.754 27.965 29.700 0.032 0.000 1.635 41 E HN 1.138 nan 8.360 nan 0.000 0.424 42 V N 1.354 121.269 119.914 0.002 0.000 5.604 42 V HA -0.269 3.851 4.120 -0.000 0.000 0.305 42 V C 0.488 176.576 176.094 -0.009 0.000 0.712 42 V CA 1.749 64.039 62.300 -0.016 0.000 1.117 42 V CB -0.980 30.820 31.823 -0.039 0.000 1.297 42 V HN 0.240 nan 8.190 nan 0.000 0.443 43 I N 3.346 123.928 120.570 0.019 0.000 2.396 43 I HA 0.402 4.572 4.170 -0.000 0.000 0.292 43 I C 0.334 176.445 176.117 -0.010 0.000 0.999 43 I CA -0.259 61.069 61.300 0.046 0.000 1.310 43 I CB 1.349 39.446 38.000 0.162 0.000 1.404 43 I HN 0.628 nan 8.210 nan 0.000 0.496 44 D N 4.291 124.681 120.400 -0.016 0.000 2.233 44 D HA 0.562 5.202 4.640 -0.000 0.000 0.240 44 D C 0.204 176.488 176.300 -0.027 0.000 1.074 44 D CA -0.299 53.677 54.000 -0.041 0.000 0.838 44 D CB 1.499 42.272 40.800 -0.044 0.000 1.124 44 D HN 0.639 nan 8.370 nan 0.000 0.475 45 A N 4.000 126.798 122.820 -0.036 0.000 2.564 45 A HA 0.165 4.485 4.320 -0.000 0.000 0.279 45 A C 0.527 178.080 177.584 -0.053 0.000 1.232 45 A CA -0.412 51.602 52.037 -0.037 0.000 0.950 45 A CB -0.166 18.814 19.000 -0.035 0.000 1.138 45 A HN 0.500 nan 8.150 nan 0.000 0.526 46 K N -0.088 120.284 120.400 -0.047 0.000 2.586 46 K HA 0.188 4.508 4.320 -0.000 0.000 0.280 46 K C 1.156 177.709 176.600 -0.078 0.000 0.972 46 K CA 0.953 57.210 56.287 -0.050 0.000 1.040 46 K CB 0.065 32.541 32.500 -0.039 0.000 0.870 46 K HN 0.821 nan 8.250 nan 0.000 0.497 47 G N 1.188 109.931 108.800 -0.096 0.000 2.341 47 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.292 47 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.292 47 G C -0.228 174.554 174.900 -0.196 0.000 1.021 47 G CA 0.192 45.209 45.100 -0.137 0.000 0.905 47 G HN 0.560 nan 8.290 nan 0.000 0.508 48 C N -1.643 117.528 119.300 -0.216 0.000 3.090 48 C HA 0.714 5.173 4.460 -0.000 0.000 0.305 48 C C -0.287 174.541 174.990 -0.271 0.000 1.292 48 C CA -1.463 57.408 59.018 -0.245 0.000 1.482 48 C CB 1.449 29.105 27.740 -0.139 0.000 1.897 48 C HN 0.349 nan 8.230 nan 0.000 0.469 49 Y N 0.572 120.740 120.300 -0.220 0.000 2.403 49 Y HA 0.608 5.158 4.550 -0.000 0.000 0.323 49 Y C 0.250 175.855 175.900 -0.491 0.000 1.226 49 Y CA -0.698 57.160 58.100 -0.404 0.000 1.235 49 Y CB 0.969 38.998 38.460 -0.717 0.000 1.248 49 Y HN 0.311 nan 8.280 nan 0.000 0.489 50 V N 4.267 124.021 119.914 -0.266 0.000 2.357 50 V HA 0.314 4.434 4.120 -0.000 0.000 0.281 50 V C -0.930 175.081 176.094 -0.139 0.000 1.015 50 V CA -0.896 61.283 62.300 -0.200 0.000 0.827 50 V CB -0.116 31.647 31.823 -0.100 0.000 1.018 50 V HN 0.416 nan 8.190 nan 0.000 0.432 51 F N 4.769 124.747 119.950 0.046 0.000 2.403 51 F HA 0.667 5.194 4.527 -0.000 0.000 0.326 51 F C -2.193 173.597 175.800 -0.016 0.000 1.081 51 F CA -3.157 54.847 58.000 0.008 0.000 1.041 51 F CB 0.800 39.795 39.000 -0.009 0.000 1.234 51 F HN 0.231 nan 8.300 nan 0.000 0.503 52 P HA 0.195 nan 4.420 nan 0.000 0.280 52 P C -0.117 177.213 177.300 0.050 0.000 1.244 52 P CA -0.293 62.853 63.100 0.078 0.000 0.784 52 P CB 0.608 32.337 31.700 0.049 0.000 0.913 53 G N 2.949 111.764 108.800 0.025 0.000 2.368 53 G HA2 0.261 4.221 3.960 -0.000 0.000 0.233 53 G HA3 0.261 4.221 3.960 -0.000 0.000 0.233 53 G C 0.608 175.492 174.900 -0.028 0.000 1.267 53 G CA -0.039 45.068 45.100 0.010 0.000 0.873 53 G HN 0.594 nan 8.290 nan 0.000 0.539 54 G N -0.247 108.528 108.800 -0.042 0.000 2.569 54 G HA2 0.475 4.435 3.960 -0.000 0.000 0.249 54 G HA3 0.475 4.435 3.960 -0.000 0.000 0.249 54 G C -0.210 174.653 174.900 -0.061 0.000 1.216 54 G CA -0.656 44.391 45.100 -0.088 0.000 0.845 54 G HN 0.688 nan 8.290 nan 0.000 0.568 55 I N 0.950 121.478 120.570 -0.070 0.000 2.447 55 I HA 0.192 4.362 4.170 -0.000 0.000 0.287 55 I C -1.069 175.016 176.117 -0.053 0.000 1.023 55 I CA -0.710 60.555 61.300 -0.058 0.000 1.083 55 I CB 2.234 40.203 38.000 -0.051 0.000 1.245 55 I HN 0.300 nan 8.210 nan 0.000 0.434 56 D N 9.115 129.483 120.400 -0.053 0.000 2.443 56 D HA 0.242 4.882 4.640 -0.000 0.000 0.221 56 D C -1.752 174.509 176.300 -0.065 0.000 1.097 56 D CA -1.906 52.076 54.000 -0.031 0.000 0.865 56 D CB 1.890 42.680 40.800 -0.016 0.000 1.034 56 D HN 0.267 nan 8.370 nan 0.000 0.511 57 P HA -0.031 nan 4.420 nan 0.000 0.249 57 P C -0.124 177.166 177.300 -0.017 0.000 1.229 57 P CA 0.271 63.228 63.100 -0.237 0.000 0.788 57 P CB 0.091 31.527 31.700 -0.441 0.000 1.072 58 H N -0.330 118.764 119.070 0.040 0.000 2.530 58 H HA 0.393 4.949 4.556 -0.000 0.000 0.246 58 H C -0.839 174.528 175.328 0.065 0.000 1.346 58 H CA -0.206 55.962 56.048 0.200 0.000 1.424 58 H CB 0.389 30.274 29.762 0.205 0.000 1.445 58 H HN -0.205 nan 8.280 nan 0.000 0.511 59 T N 3.271 117.964 114.554 0.232 0.000 2.876 59 T HA 0.253 4.603 4.350 -0.000 0.000 0.289 59 T C -0.917 173.765 174.700 -0.030 0.000 1.014 59 T CA -0.726 61.404 62.100 0.050 0.000 0.986 59 T CB 1.141 70.007 68.868 -0.004 0.000 1.021 59 T HN 0.548 nan 8.240 nan 0.000 0.458 60 H N 3.930 123.135 119.070 0.225 0.000 2.761 60 H HA 0.356 4.912 4.556 -0.000 0.000 0.263 60 H C 0.334 175.689 175.328 0.044 0.000 1.292 60 H CA -0.320 55.867 56.048 0.233 0.000 1.540 60 H CB 0.678 30.562 29.762 0.203 0.000 1.569 60 H HN 0.407 nan 8.280 nan 0.000 0.510 61 L N 0.319 121.565 121.223 0.039 0.000 2.129 61 L HA 0.050 4.390 4.340 -0.000 0.000 0.200 61 L C 1.583 178.437 176.870 -0.027 0.000 1.159 61 L CA 0.510 55.241 54.840 -0.182 0.000 0.795 61 L CB 0.052 41.636 42.059 -0.791 0.000 0.951 61 L HN 0.336 nan 8.230 nan 0.000 0.463 62 D N 1.053 121.506 120.400 0.089 0.000 2.323 62 D HA 0.057 4.697 4.640 -0.000 0.000 0.239 62 D C 0.515 176.815 176.300 0.000 0.000 1.129 62 D CA -0.047 53.975 54.000 0.037 0.000 0.865 62 D CB 0.069 40.870 40.800 0.001 0.000 0.913 62 D HN 0.141 nan 8.370 nan 0.000 0.517 63 M N 0.155 119.835 119.600 0.133 0.000 2.245 63 M HA 0.330 4.810 4.480 -0.000 0.000 0.344 63 M C -2.702 173.703 176.300 0.174 0.000 1.170 63 M CA -0.869 54.572 55.300 0.235 0.000 1.135 63 M CB 1.060 33.896 32.600 0.393 0.000 1.574 63 M HN -0.341 nan 8.290 nan 0.000 0.452 64 P HA 0.351 nan 4.420 nan 0.000 0.300 64 P C -1.443 175.970 177.300 0.187 0.000 1.375 64 P CA -0.296 62.907 63.100 0.171 0.000 0.864 64 P CB 1.183 32.950 31.700 0.112 0.000 0.958 65 L N 3.910 125.271 121.223 0.231 0.000 2.599 65 L HA 0.714 5.054 4.340 -0.000 0.000 0.241 65 L C 0.530 177.397 176.870 -0.005 0.000 1.207 65 L CA 0.512 55.434 54.840 0.137 0.000 0.987 65 L CB -0.307 41.889 42.059 0.227 0.000 1.318 65 L HN 0.717 nan 8.230 nan 0.000 0.458 66 G N 1.044 109.840 108.800 -0.006 0.000 2.265 66 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.246 66 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.246 66 G C 0.449 175.336 174.900 -0.021 0.000 1.299 66 G CA -0.302 44.770 45.100 -0.047 0.000 1.117 66 G HN 0.533 nan 8.290 nan 0.000 0.485 67 G N -0.466 108.314 108.800 -0.032 0.000 2.920 67 G HA2 0.427 4.387 3.960 -0.000 0.000 0.208 67 G HA3 0.427 4.387 3.960 -0.000 0.000 0.208 67 G C 0.755 175.657 174.900 0.003 0.000 1.159 67 G CA 2.188 47.277 45.100 -0.017 0.000 0.784 67 G HN 1.155 nan 8.290 nan 0.000 0.535 68 T N -0.893 113.670 114.554 0.014 0.000 2.938 68 T HA 0.619 4.969 4.350 -0.000 0.000 0.285 68 T C -0.874 173.910 174.700 0.141 0.000 1.028 68 T CA -0.483 61.656 62.100 0.064 0.000 1.005 68 T CB 1.929 70.829 68.868 0.053 0.000 1.157 68 T HN -0.114 nan 8.240 nan 0.000 0.550 69 V N 1.425 121.455 119.914 0.193 0.000 2.962 69 V HA 0.428 4.548 4.120 -0.000 0.000 0.313 69 V C 0.215 176.454 176.094 0.242 0.000 1.099 69 V CA -1.020 61.405 62.300 0.209 0.000 0.971 69 V CB 2.140 34.021 31.823 0.097 0.000 1.028 69 V HN 1.081 nan 8.190 nan 0.000 0.430 70 T N 2.501 117.111 114.554 0.093 0.000 2.923 70 T HA -0.048 4.302 4.350 -0.000 0.000 0.304 70 T C 1.132 175.778 174.700 -0.089 0.000 1.044 70 T CA 0.413 62.380 62.100 -0.221 0.000 1.141 70 T CB 0.282 69.001 68.868 -0.249 0.000 1.023 70 T HN 0.765 nan 8.240 nan 0.000 0.533 71 K N 2.236 122.573 120.400 -0.105 0.000 2.097 71 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 71 K C 0.440 177.006 176.600 -0.057 0.000 1.049 71 K CA 1.363 57.636 56.287 -0.022 0.000 0.933 71 K CB 0.079 32.586 32.500 0.011 0.000 0.717 71 K HN 0.581 nan 8.250 nan 0.000 0.442 72 D N 1.793 122.125 120.400 -0.114 0.000 2.280 72 D HA 0.017 4.657 4.640 -0.000 0.000 0.243 72 D C -0.355 175.886 176.300 -0.098 0.000 1.129 72 D CA -0.150 53.783 54.000 -0.110 0.000 0.848 72 D CB 1.026 41.736 40.800 -0.149 0.000 1.107 72 D HN 0.387 nan 8.370 nan 0.000 0.471 73 D N 0.942 121.306 120.400 -0.059 0.000 2.539 73 D HA 0.049 4.689 4.640 -0.000 0.000 0.276 73 D C 0.988 177.269 176.300 -0.031 0.000 1.206 73 D CA -0.579 53.413 54.000 -0.014 0.000 1.081 73 D CB 0.304 41.120 40.800 0.027 0.000 1.142 73 D HN 0.126 nan 8.370 nan 0.000 0.595 74 F N -0.198 119.703 119.950 -0.082 0.000 2.333 74 F HA -0.055 4.472 4.527 -0.000 0.000 0.300 74 F C 2.480 178.230 175.800 -0.084 0.000 1.083 74 F CA 1.061 59.005 58.000 -0.094 0.000 1.395 74 F CB -0.025 38.890 39.000 -0.143 0.000 1.056 74 F HN 0.471 nan 8.300 nan 0.000 0.529 75 E N -0.184 120.065 120.200 0.082 0.000 2.030 75 E HA -0.152 4.198 4.350 -0.000 0.000 0.189 75 E C 2.434 179.021 176.600 -0.022 0.000 0.974 75 E CA 1.193 57.614 56.400 0.036 0.000 0.807 75 E CB -0.076 29.643 29.700 0.032 0.000 0.771 75 E HN 0.345 nan 8.360 nan 0.000 0.451 76 S N 0.070 115.746 115.700 -0.040 0.000 2.356 76 S HA -0.110 4.360 4.470 -0.000 0.000 0.223 76 S C 2.223 176.776 174.600 -0.078 0.000 1.032 76 S CA 1.257 59.416 58.200 -0.067 0.000 1.005 76 S CB -1.077 62.084 63.200 -0.064 0.000 0.867 76 S HN 0.370 nan 8.310 nan 0.000 0.449 77 G N 1.415 110.154 108.800 -0.101 0.000 2.440 77 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 77 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 77 G C 1.502 176.347 174.900 -0.091 0.000 1.154 77 G CA 1.551 46.574 45.100 -0.128 0.000 0.767 77 G HN 0.568 nan 8.290 nan 0.000 0.552 78 T N 1.362 115.873 114.554 -0.072 0.000 2.708 78 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 78 T C 2.393 177.100 174.700 0.011 0.000 1.037 78 T CA 1.147 63.237 62.100 -0.015 0.000 1.146 78 T CB -0.177 68.710 68.868 0.032 0.000 0.865 78 T HN 0.276 nan 8.240 nan 0.000 0.435 79 I N 1.387 121.943 120.570 -0.023 0.000 2.179 79 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 79 I C 2.971 179.155 176.117 0.112 0.000 1.088 79 I CA 1.107 62.386 61.300 -0.034 0.000 1.357 79 I CB -0.630 37.226 38.000 -0.240 0.000 1.051 79 I HN 0.196 nan 8.210 nan 0.000 0.409 80 A N 1.091 123.949 122.820 0.064 0.000 1.859 80 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 80 A C 2.584 180.226 177.584 0.097 0.000 1.198 80 A CA 2.450 54.535 52.037 0.081 0.000 0.629 80 A CB -1.167 17.822 19.000 -0.020 0.000 0.830 80 A HN 0.448 nan 8.150 nan 0.000 0.446 81 A N -0.373 122.472 122.820 0.042 0.000 1.917 81 A HA 0.058 4.378 4.320 -0.000 0.000 0.219 81 A C 2.538 180.158 177.584 0.059 0.000 1.182 81 A CA 2.601 54.662 52.037 0.040 0.000 0.633 81 A CB -1.171 17.834 19.000 0.008 0.000 0.819 81 A HN 1.269 nan 8.150 nan 0.000 0.448 82 A N -1.254 121.596 122.820 0.051 0.000 1.883 82 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 82 A C 2.005 179.561 177.584 -0.046 0.000 1.186 82 A CA 1.675 53.716 52.037 0.006 0.000 0.624 82 A CB -0.800 18.199 19.000 -0.002 0.000 0.822 82 A HN 0.505 nan 8.150 nan 0.000 0.444 83 F N 0.137 120.056 119.950 -0.053 0.000 2.186 83 F HA -0.004 4.523 4.527 -0.000 0.000 0.299 83 F C 2.535 178.331 175.800 -0.007 0.000 1.090 83 F CA 1.139 59.070 58.000 -0.115 0.000 1.307 83 F CB -0.417 38.303 39.000 -0.468 0.000 1.019 83 F HN 0.309 nan 8.300 nan 0.000 0.489 84 G N -1.135 107.782 108.800 0.195 0.000 2.776 84 G HA2 0.224 4.184 3.960 -0.000 0.000 0.209 84 G HA3 0.224 4.184 3.960 -0.000 0.000 0.209 84 G C 1.508 176.509 174.900 0.169 0.000 1.145 84 G CA 0.575 45.783 45.100 0.180 0.000 0.791 84 G HN 0.650 nan 8.290 nan 0.000 0.530 85 G N -1.447 107.436 108.800 0.139 0.000 2.157 85 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.239 85 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.239 85 G C 0.267 175.206 174.900 0.065 0.000 0.982 85 G CA 0.302 45.480 45.100 0.130 0.000 0.650 85 G HN 0.596 nan 8.290 nan 0.000 0.527 86 T N 1.131 115.713 114.554 0.047 0.000 2.767 86 T HA 0.539 4.889 4.350 -0.000 0.000 0.284 86 T C 1.265 175.976 174.700 0.018 0.000 0.973 86 T CA 0.524 62.634 62.100 0.016 0.000 0.996 86 T CB 1.443 70.317 68.868 0.009 0.000 0.927 86 T HN 0.677 nan 8.240 nan 0.000 0.456 87 T N -0.737 113.822 114.554 0.008 0.000 3.040 87 T HA 0.297 4.647 4.350 -0.000 0.000 0.266 87 T C 0.336 175.043 174.700 0.013 0.000 1.005 87 T CA -0.296 61.815 62.100 0.019 0.000 0.906 87 T CB 0.266 69.142 68.868 0.013 0.000 1.082 87 T HN 0.496 nan 8.240 nan 0.000 0.531 88 T N 2.577 117.126 114.554 -0.008 0.000 3.172 88 T HA 0.608 4.958 4.350 -0.000 0.000 0.320 88 T C -0.920 173.755 174.700 -0.042 0.000 1.085 88 T CA -0.834 61.249 62.100 -0.028 0.000 1.052 88 T CB 1.693 70.520 68.868 -0.069 0.000 1.107 88 T HN 0.535 nan 8.240 nan 0.000 0.458 89 I N 0.026 120.581 120.570 -0.025 0.000 2.785 89 I HA 0.798 4.968 4.170 -0.000 0.000 0.302 89 I C -1.332 174.720 176.117 -0.108 0.000 1.069 89 I CA -1.469 59.800 61.300 -0.053 0.000 1.045 89 I CB 2.032 40.018 38.000 -0.024 0.000 1.236 89 I HN 0.586 nan 8.210 nan 0.000 0.429 90 I N 3.795 124.244 120.570 -0.201 0.000 2.466 90 I HA 0.318 4.488 4.170 -0.000 0.000 0.279 90 I C -0.786 175.156 176.117 -0.292 0.000 1.033 90 I CA -0.341 60.716 61.300 -0.405 0.000 1.123 90 I CB 1.206 38.732 38.000 -0.790 0.000 1.237 90 I HN 0.646 nan 8.210 nan 0.000 0.460 91 D N 5.188 125.597 120.400 0.015 0.000 2.283 91 D HA 0.259 4.899 4.640 -0.000 0.000 0.248 91 D C -0.874 175.564 176.300 0.229 0.000 1.072 91 D CA -0.300 53.864 54.000 0.273 0.000 0.929 91 D CB 1.366 42.559 40.800 0.655 0.000 1.182 91 D HN 0.147 nan 8.370 nan 0.000 0.433 92 F N 2.323 122.438 119.950 0.275 0.000 2.405 92 F HA 0.125 4.652 4.527 -0.000 0.000 0.358 92 F C 0.867 176.561 175.800 -0.178 0.000 1.151 92 F CA -0.656 57.449 58.000 0.174 0.000 1.161 92 F CB 0.433 39.596 39.000 0.272 0.000 1.245 92 F HN 0.187 nan 8.300 nan 0.000 0.545 93 C N 7.606 126.561 119.300 -0.575 0.000 2.520 93 C HA 0.392 4.852 4.460 -0.000 0.000 0.369 93 C C 0.531 174.916 174.990 -1.009 0.000 1.244 93 C CA -0.976 56.980 59.018 -1.770 0.000 1.677 93 C CB -1.829 25.103 27.740 -1.347 0.000 2.324 93 C HN 0.669 nan 8.230 nan 0.000 0.557 94 L N 6.036 126.596 121.223 -1.105 0.000 2.452 94 L HA 0.361 4.701 4.340 -0.000 0.000 0.267 94 L C 0.904 177.702 176.870 -0.119 0.000 1.188 94 L CA 0.449 55.158 54.840 -0.219 0.000 0.821 94 L CB 0.622 42.786 42.059 0.175 0.000 1.102 94 L HN 0.612 nan 8.230 nan 0.000 0.470 95 T N 1.089 115.672 114.554 0.048 0.000 2.893 95 T HA 0.391 4.741 4.350 -0.000 0.000 0.291 95 T C -0.642 174.088 174.700 0.050 0.000 1.028 95 T CA -0.788 61.338 62.100 0.044 0.000 0.995 95 T CB 1.525 70.422 68.868 0.047 0.000 1.051 95 T HN 0.459 nan 8.240 nan 0.000 0.470 96 N N 1.773 120.493 118.700 0.033 0.000 2.361 96 N HA 0.336 5.076 4.740 -0.000 0.000 0.302 96 N C -0.548 174.970 175.510 0.012 0.000 1.074 96 N CA -0.729 52.325 53.050 0.008 0.000 0.850 96 N CB 1.945 40.436 38.487 0.008 0.000 1.228 96 N HN 0.443 nan 8.380 nan 0.000 0.491 97 K N 0.113 120.515 120.400 0.002 0.000 2.414 97 K HA 0.160 4.480 4.320 -0.000 0.000 0.272 97 K C 1.116 177.722 176.600 0.010 0.000 0.993 97 K CA 0.546 56.840 56.287 0.011 0.000 0.964 97 K CB 0.310 32.813 32.500 0.006 0.000 0.925 97 K HN 0.803 nan 8.250 nan 0.000 0.487 98 G N 1.319 110.128 108.800 0.015 0.000 2.412 98 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.252 98 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.252 98 G C 0.151 175.060 174.900 0.015 0.000 1.038 98 G CA 0.626 45.735 45.100 0.014 0.000 0.628 98 G HN 0.682 nan 8.290 nan 0.000 0.531 99 E N 2.608 122.818 120.200 0.017 0.000 2.289 99 E HA 0.431 4.780 4.350 -0.000 0.000 0.278 99 E C -1.826 174.787 176.600 0.023 0.000 1.032 99 E CA -1.938 54.474 56.400 0.020 0.000 0.854 99 E CB 0.941 30.655 29.700 0.022 0.000 1.046 99 E HN 0.261 nan 8.360 nan 0.000 0.409 100 P HA -0.080 nan 4.420 nan 0.000 0.264 100 P C 0.767 178.082 177.300 0.026 0.000 1.193 100 P CA 0.329 63.443 63.100 0.023 0.000 0.763 100 P CB 0.770 32.483 31.700 0.021 0.000 0.810 101 L N 2.633 123.871 121.223 0.024 0.000 2.081 101 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 101 L C 2.315 179.199 176.870 0.024 0.000 1.080 101 L CA 1.815 56.668 54.840 0.022 0.000 0.754 101 L CB -0.786 41.286 42.059 0.022 0.000 0.893 101 L HN 0.432 nan 8.230 nan 0.000 0.433 102 K N -0.182 120.236 120.400 0.029 0.000 2.362 102 K HA -0.174 4.146 4.320 -0.000 0.000 0.200 102 K C 1.960 178.585 176.600 0.042 0.000 1.046 102 K CA 0.602 56.911 56.287 0.037 0.000 0.952 102 K CB -0.003 32.515 32.500 0.032 0.000 0.753 102 K HN 0.064 nan 8.250 nan 0.000 0.466 103 K N 1.816 122.239 120.400 0.038 0.000 1.984 103 K HA -0.082 4.238 4.320 -0.000 0.000 0.209 103 K C 2.010 178.650 176.600 0.066 0.000 1.046 103 K CA 1.613 57.928 56.287 0.045 0.000 0.934 103 K CB -0.526 31.998 32.500 0.041 0.000 0.717 103 K HN 0.068 nan 8.250 nan 0.000 0.438 104 A N 0.904 123.764 122.820 0.067 0.000 1.883 104 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 104 A C 2.309 179.947 177.584 0.090 0.000 1.186 104 A CA 1.975 54.073 52.037 0.102 0.000 0.624 104 A CB -0.884 18.133 19.000 0.029 0.000 0.822 104 A HN 0.392 nan 8.150 nan 0.000 0.444 105 I N -0.688 119.891 120.570 0.014 0.000 2.248 105 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 105 I C 2.479 178.652 176.117 0.094 0.000 1.107 105 I CA 1.918 63.208 61.300 -0.017 0.000 1.373 105 I CB -0.444 37.585 38.000 0.047 0.000 1.055 105 I HN 0.448 nan 8.210 nan 0.000 0.418 106 E N 0.037 120.314 120.200 0.129 0.000 2.112 106 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 106 E C 2.102 178.766 176.600 0.107 0.000 0.979 106 E CA 1.382 57.870 56.400 0.147 0.000 0.814 106 E CB 0.018 29.763 29.700 0.076 0.000 0.762 106 E HN 0.384 nan 8.360 nan 0.000 0.460 107 T N 0.241 114.855 114.554 0.101 0.000 2.720 107 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 107 T C 1.259 175.944 174.700 -0.025 0.000 1.037 107 T CA 0.945 63.082 62.100 0.062 0.000 1.144 107 T CB -0.243 68.711 68.868 0.143 0.000 0.864 107 T HN 0.368 nan 8.240 nan 0.000 0.444 108 W N 1.105 122.250 121.300 -0.260 0.000 2.379 108 W HA -0.115 4.545 4.660 -0.000 0.000 0.307 108 W C 2.537 178.819 176.519 -0.396 0.000 1.200 108 W CA 0.977 58.034 57.345 -0.480 0.000 1.297 108 W CB -0.507 28.359 29.460 -0.991 0.000 1.140 108 W HN 0.413 nan 8.180 nan 0.000 0.507 109 H N 0.206 119.267 119.070 -0.014 0.000 2.426 109 H HA -0.158 4.398 4.556 -0.000 0.000 0.298 109 H C 1.794 177.101 175.328 -0.035 0.000 1.107 109 H CA 1.536 57.646 56.048 0.104 0.000 1.298 109 H CB -0.431 29.353 29.762 0.037 0.000 1.377 109 H HN 0.209 nan 8.280 nan 0.000 0.519 110 N N 0.966 119.674 118.700 0.013 0.000 2.106 110 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 110 N C 1.914 177.315 175.510 -0.182 0.000 1.029 110 N CA 0.664 53.677 53.050 -0.061 0.000 0.848 110 N CB -0.165 38.286 38.487 -0.060 0.000 1.007 110 N HN 0.379 nan 8.380 nan 0.000 0.423 111 K N 0.795 120.993 120.400 -0.338 0.000 2.113 111 K HA -0.070 4.250 4.320 -0.000 0.000 0.208 111 K C 1.952 178.179 176.600 -0.622 0.000 1.047 111 K CA 1.495 57.499 56.287 -0.470 0.000 0.928 111 K CB -0.058 32.016 32.500 -0.711 0.000 0.716 111 K HN 0.155 nan 8.250 nan 0.000 0.446 112 A N 1.201 123.520 122.820 -0.835 0.000 1.911 112 A HA -0.027 4.293 4.320 -0.000 0.000 0.212 112 A C 0.675 178.077 177.584 -0.303 0.000 1.189 112 A CA -0.000 51.509 52.037 -0.880 0.000 0.639 112 A CB -0.245 18.135 19.000 -1.034 0.000 0.839 112 A HN 0.213 nan 8.150 nan 0.000 0.449 113 N N 0.754 119.397 118.700 -0.094 0.000 2.034 113 N HA -0.022 4.718 4.740 -0.000 0.000 0.293 113 N C 1.216 176.736 175.510 0.016 0.000 1.336 113 N CA 1.494 54.562 53.050 0.030 0.000 0.819 113 N CB -0.018 38.489 38.487 0.033 0.000 1.071 113 N HN 0.746 nan 8.380 nan 0.000 0.495 114 G N 2.610 111.447 108.800 0.063 0.000 2.186 114 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.266 114 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.266 114 G C 0.938 175.876 174.900 0.064 0.000 0.982 114 G CA 1.032 46.172 45.100 0.067 0.000 0.670 114 G HN 0.670 nan 8.290 nan 0.000 0.533 115 K N -0.338 120.085 120.400 0.039 0.000 2.391 115 K HA 0.527 4.847 4.320 -0.000 0.000 0.197 115 K C 1.299 177.945 176.600 0.078 0.000 1.087 115 K CA 0.423 56.743 56.287 0.056 0.000 1.012 115 K CB 0.871 33.396 32.500 0.042 0.000 0.925 115 K HN 0.492 nan 8.250 nan 0.000 0.547 116 A N 1.343 124.193 122.820 0.049 0.000 2.450 116 A HA 0.186 4.506 4.320 -0.000 0.000 0.255 116 A C 1.168 178.859 177.584 0.178 0.000 1.096 116 A CA -0.251 51.829 52.037 0.073 0.000 0.778 116 A CB 0.478 19.450 19.000 -0.046 0.000 1.031 116 A HN -0.014 nan 8.150 nan 0.000 0.494 117 V N 3.179 123.210 119.914 0.195 0.000 2.992 117 V HA 0.064 4.184 4.120 -0.000 0.000 0.250 117 V C 0.887 177.176 176.094 0.325 0.000 1.090 117 V CA 1.577 64.046 62.300 0.283 0.000 1.101 117 V CB -1.213 30.777 31.823 0.280 0.000 0.743 117 V HN 0.805 nan 8.190 nan 0.000 0.468 118 I N -3.740 116.974 120.570 0.241 0.000 3.206 118 I HA 0.645 4.815 4.170 -0.000 0.000 0.313 118 I C -1.023 175.224 176.117 0.216 0.000 1.103 118 I CA -1.100 60.327 61.300 0.211 0.000 0.985 118 I CB 1.506 39.591 38.000 0.141 0.000 1.240 118 I HN -0.172 nan 8.210 nan 0.000 0.464 119 D N 1.138 121.612 120.400 0.123 0.000 2.357 119 D HA 0.423 5.063 4.640 -0.000 0.000 0.242 119 D C -0.968 175.423 176.300 0.152 0.000 1.153 119 D CA 0.756 54.802 54.000 0.077 0.000 0.918 119 D CB 0.859 41.593 40.800 -0.109 0.000 1.181 119 D HN 0.598 nan 8.370 nan 0.000 0.435 120 Y N -2.548 117.665 120.300 -0.144 0.000 2.689 120 Y HA 0.697 5.247 4.550 -0.000 0.000 0.333 120 Y C -0.356 175.283 175.900 -0.434 0.000 1.208 120 Y CA -1.314 56.668 58.100 -0.197 0.000 1.055 120 Y CB 1.059 39.504 38.460 -0.026 0.000 1.304 120 Y HN 0.445 nan 8.280 nan 0.000 0.455 121 G N 0.127 108.634 108.800 -0.488 0.000 2.788 121 G HA2 0.711 4.671 3.960 -0.000 0.000 0.293 121 G HA3 0.711 4.671 3.960 -0.000 0.000 0.293 121 G C -2.393 172.135 174.900 -0.621 0.000 1.392 121 G CA -1.022 43.617 45.100 -0.769 0.000 0.810 121 G HN 0.440 nan 8.290 nan 0.000 0.508 122 F N -0.835 119.031 119.950 -0.140 0.000 2.620 122 F HA 0.595 5.122 4.527 -0.000 0.000 0.320 122 F C -0.105 175.435 175.800 -0.433 0.000 1.069 122 F CA -1.022 56.845 58.000 -0.221 0.000 0.953 122 F CB 2.235 41.207 39.000 -0.046 0.000 1.322 122 F HN 0.238 nan 8.300 nan 0.000 0.479 123 H N 1.442 120.445 119.070 -0.112 0.000 2.524 123 H HA 0.498 5.054 4.556 -0.000 0.000 0.353 123 H C -1.246 173.997 175.328 -0.142 0.000 1.136 123 H CA -0.798 55.083 56.048 -0.277 0.000 1.193 123 H CB 2.537 31.831 29.762 -0.780 0.000 1.558 123 H HN 0.398 nan 8.280 nan 0.000 0.515 124 L N 3.492 124.748 121.223 0.055 0.000 2.272 124 L HA 0.297 4.637 4.340 -0.000 0.000 0.289 124 L C 0.093 177.006 176.870 0.072 0.000 1.032 124 L CA -0.296 54.551 54.840 0.013 0.000 0.810 124 L CB 0.843 42.912 42.059 0.017 0.000 1.205 124 L HN 0.606 nan 8.230 nan 0.000 0.422 125 M N 5.501 125.153 119.600 0.087 0.000 2.242 125 M HA 0.390 4.870 4.480 -0.000 0.000 0.344 125 M C -1.215 175.177 176.300 0.153 0.000 1.140 125 M CA 0.242 55.660 55.300 0.197 0.000 1.160 125 M CB 0.513 33.289 32.600 0.294 0.000 1.491 125 M HN 0.601 nan 8.290 nan 0.000 0.459 126 I N 3.545 124.224 120.570 0.182 0.000 2.478 126 I HA 0.186 4.356 4.170 -0.000 0.000 0.287 126 I C 0.216 176.441 176.117 0.181 0.000 1.042 126 I CA -0.283 61.101 61.300 0.140 0.000 1.067 126 I CB 2.265 40.321 38.000 0.093 0.000 1.233 126 I HN 0.869 nan 8.210 nan 0.000 0.431 127 S N 3.208 118.999 115.700 0.152 0.000 2.540 127 S HA 0.303 4.773 4.470 -0.000 0.000 0.222 127 S C 0.021 174.683 174.600 0.104 0.000 1.008 127 S CA -0.333 57.957 58.200 0.151 0.000 0.939 127 S CB 0.096 63.371 63.200 0.125 0.000 0.865 127 S HN 0.766 nan 8.310 nan 0.000 0.499 128 E N 0.828 121.080 120.200 0.085 0.000 2.388 128 E HA 0.459 4.809 4.350 -0.000 0.000 0.282 128 E C -1.286 175.348 176.600 0.057 0.000 1.026 128 E CA -1.227 55.213 56.400 0.067 0.000 0.820 128 E CB 0.714 30.446 29.700 0.053 0.000 1.226 128 E HN 0.319 nan 8.360 nan 0.000 0.432 129 I N -0.223 120.378 120.570 0.052 0.000 2.371 129 I HA 0.493 4.663 4.170 -0.000 0.000 0.282 129 I C -0.720 175.420 176.117 0.038 0.000 1.031 129 I CA -0.341 60.985 61.300 0.044 0.000 1.180 129 I CB 1.337 39.364 38.000 0.044 0.000 1.336 129 I HN 0.367 nan 8.210 nan 0.000 0.467 130 T N 2.934 117.508 114.554 0.033 0.000 2.952 130 T HA 0.242 4.592 4.350 -0.000 0.000 0.286 130 T C 0.821 175.536 174.700 0.025 0.000 1.024 130 T CA -0.432 61.685 62.100 0.029 0.000 1.029 130 T CB 1.792 70.676 68.868 0.026 0.000 1.094 130 T HN 0.511 nan 8.240 nan 0.000 0.515 131 D N 1.008 121.422 120.400 0.023 0.000 2.144 131 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 131 D C 1.336 177.647 176.300 0.019 0.000 0.984 131 D CA 1.221 55.233 54.000 0.020 0.000 0.834 131 D CB 0.097 40.908 40.800 0.018 0.000 0.955 131 D HN 0.528 nan 8.370 nan 0.000 0.465 132 D N 0.644 121.056 120.400 0.019 0.000 2.144 132 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 132 D C 2.373 178.685 176.300 0.020 0.000 0.978 132 D CA 0.478 54.489 54.000 0.019 0.000 0.833 132 D CB -0.025 40.786 40.800 0.018 0.000 0.961 132 D HN 0.122 nan 8.370 nan 0.000 0.470 133 V N 1.648 121.575 119.914 0.023 0.000 2.307 133 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 133 V C 2.731 178.838 176.094 0.021 0.000 1.045 133 V CA 1.074 63.389 62.300 0.024 0.000 1.024 133 V CB -0.566 31.274 31.823 0.028 0.000 0.651 133 V HN 0.167 nan 8.190 nan 0.000 0.449 134 L N -0.294 120.941 121.223 0.020 0.000 2.187 134 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 134 L C 2.552 179.431 176.870 0.016 0.000 1.100 134 L CA 1.586 56.436 54.840 0.017 0.000 0.765 134 L CB -0.532 41.537 42.059 0.017 0.000 0.904 134 L HN 0.445 nan 8.230 nan 0.000 0.437 135 E N -0.396 119.814 120.200 0.017 0.000 2.158 135 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 135 E C 2.009 178.620 176.600 0.017 0.000 0.982 135 E CA 0.708 57.117 56.400 0.016 0.000 0.823 135 E CB 0.151 29.860 29.700 0.015 0.000 0.766 135 E HN 0.528 nan 8.360 nan 0.000 0.468 136 E N 0.733 120.944 120.200 0.019 0.000 2.051 136 E HA -0.101 4.249 4.350 -0.000 0.000 0.189 136 E C 2.217 178.831 176.600 0.023 0.000 0.979 136 E CA 0.336 56.749 56.400 0.022 0.000 0.803 136 E CB 0.026 29.740 29.700 0.023 0.000 0.761 136 E HN 0.145 nan 8.360 nan 0.000 0.451 137 L N 1.443 122.679 121.223 0.022 0.000 2.011 137 L HA -0.250 4.089 4.340 -0.000 0.000 0.225 137 L C -0.428 176.455 176.870 0.022 0.000 1.084 137 L CA 1.917 56.769 54.840 0.021 0.000 0.791 137 L CB -2.030 40.038 42.059 0.015 0.000 0.898 137 L HN 0.235 nan 8.230 nan 0.000 0.440 138 P HA -0.200 nan 4.420 nan 0.000 0.216 138 P C 1.193 178.507 177.300 0.023 0.000 1.150 138 P CA 1.706 64.817 63.100 0.018 0.000 0.843 138 P CB -0.069 31.640 31.700 0.015 0.000 0.787 139 K N -0.301 120.113 120.400 0.024 0.000 2.062 139 K HA -0.015 4.305 4.320 -0.000 0.000 0.205 139 K C 2.170 178.792 176.600 0.037 0.000 1.051 139 K CA 0.927 57.230 56.287 0.027 0.000 0.941 139 K CB -0.729 31.785 32.500 0.024 0.000 0.719 139 K HN -0.013 nan 8.250 nan 0.000 0.440 140 V N 2.179 122.117 119.914 0.040 0.000 2.688 140 V HA -0.218 3.902 4.120 -0.000 0.000 0.256 140 V C 2.082 178.213 176.094 0.063 0.000 1.084 140 V CA 1.481 63.814 62.300 0.055 0.000 1.103 140 V CB -0.496 31.356 31.823 0.049 0.000 0.688 140 V HN 0.273 nan 8.190 nan 0.000 0.480 141 L N -0.944 120.307 121.223 0.047 0.000 2.071 141 L HA -0.053 4.287 4.340 -0.000 0.000 0.201 141 L C 2.577 179.474 176.870 0.046 0.000 1.076 141 L CA 1.223 56.090 54.840 0.044 0.000 0.755 141 L CB -0.486 41.591 42.059 0.031 0.000 0.915 141 L HN 0.233 nan 8.230 nan 0.000 0.445 142 E N 0.292 120.514 120.200 0.037 0.000 2.006 142 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 142 E C 0.701 177.326 176.600 0.042 0.000 0.993 142 E CA 0.811 57.231 56.400 0.033 0.000 0.808 142 E CB -0.029 29.685 29.700 0.024 0.000 0.764 142 E HN 0.132 nan 8.360 nan 0.000 0.449 143 E N 0.982 121.209 120.200 0.045 0.000 2.194 143 E HA 0.214 4.564 4.350 -0.000 0.000 0.284 143 E C -1.248 175.404 176.600 0.086 0.000 1.035 143 E CA -0.213 56.218 56.400 0.051 0.000 0.836 143 E CB 0.371 30.091 29.700 0.033 0.000 1.070 143 E HN 0.026 nan 8.360 nan 0.000 0.401 144 E N 2.014 122.293 120.200 0.132 0.000 7.497 144 E HA -0.079 4.271 4.350 -0.000 0.000 0.252 144 E C -0.256 176.478 176.600 0.223 0.000 0.836 144 E CA 0.845 57.390 56.400 0.242 0.000 1.569 144 E CB -0.737 29.089 29.700 0.210 0.000 0.905 144 E HN 0.646 nan 8.360 nan 0.000 0.263 145 G N 4.245 113.191 108.800 0.244 0.000 3.325 145 G HA2 0.207 4.167 3.960 -0.000 0.000 0.242 145 G HA3 0.207 4.167 3.960 -0.000 0.000 0.242 145 G C 0.285 175.229 174.900 0.073 0.000 1.120 145 G CA -0.280 44.871 45.100 0.084 0.000 1.778 145 G HN 0.382 nan 8.290 nan 0.000 0.610 146 I N 2.405 123.051 120.570 0.126 0.000 2.269 146 I HA 0.137 4.307 4.170 -0.000 0.000 0.293 146 I C 1.183 177.338 176.117 0.062 0.000 1.106 146 I CA -0.012 61.347 61.300 0.100 0.000 1.248 146 I CB 0.062 38.139 38.000 0.129 0.000 1.444 146 I HN 0.189 nan 8.210 nan 0.000 0.497 147 T N 0.129 114.712 114.554 0.048 0.000 3.174 147 T HA 0.197 4.547 4.350 -0.000 0.000 0.269 147 T C 0.423 175.146 174.700 0.039 0.000 1.017 147 T CA -0.427 61.698 62.100 0.041 0.000 0.899 147 T CB -0.243 68.653 68.868 0.046 0.000 1.077 147 T HN 0.486 nan 8.240 nan 0.000 0.552 148 S N 1.545 117.290 115.700 0.075 0.000 2.774 148 S HA 0.699 5.169 4.470 -0.000 0.000 0.297 148 S C -0.302 174.333 174.600 0.058 0.000 1.143 148 S CA -0.993 57.259 58.200 0.086 0.000 1.090 148 S CB 0.828 64.199 63.200 0.285 0.000 1.019 148 S HN 0.373 nan 8.310 nan 0.000 0.482 152 F N 4.247 124.292 119.950 0.158 0.000 2.411 152 F HA 0.524 5.051 4.527 -0.000 0.000 0.355 152 F C 1.380 177.281 175.800 0.168 0.000 1.117 152 F CA -0.590 57.518 58.000 0.180 0.000 1.139 152 F CB 1.589 40.722 39.000 0.223 0.000 1.120 152 F HN 0.437 nan 8.300 nan 0.000 0.493 153 M N 1.894 121.667 119.600 0.290 0.000 2.509 153 M HA 0.263 4.743 4.480 -0.000 0.000 0.250 153 M C 0.719 177.137 176.300 0.197 0.000 1.132 153 M CA 0.269 55.691 55.300 0.203 0.000 1.080 153 M CB 0.043 32.724 32.600 0.134 0.000 1.408 153 M HN 0.638 nan 8.290 nan 0.000 0.484 154 A N -1.230 121.720 122.820 0.218 0.000 2.616 154 A HA 0.622 4.942 4.320 -0.000 0.000 0.253 154 A C -0.801 176.867 177.584 0.141 0.000 1.239 154 A CA -0.458 51.626 52.037 0.079 0.000 0.914 154 A CB 0.362 19.314 19.000 -0.079 0.000 1.454 154 A HN 0.414 nan 8.150 nan 0.000 0.460 155 Y N -1.250 119.144 120.300 0.157 0.000 3.233 155 Y HA -0.144 4.406 4.550 -0.000 0.000 0.201 155 Y C 0.540 176.515 175.900 0.125 0.000 1.486 155 Y CA 0.684 58.866 58.100 0.138 0.000 1.326 155 Y CB -1.935 36.613 38.460 0.146 0.000 1.460 155 Y HN 0.753 nan 8.280 nan 0.000 0.512 156 K N 2.095 122.635 120.400 0.233 0.000 2.561 156 K HA -0.036 4.284 4.320 -0.000 0.000 0.280 156 K C 0.955 177.620 176.600 0.108 0.000 0.975 156 K CA 0.867 57.249 56.287 0.158 0.000 1.024 156 K CB 0.135 32.717 32.500 0.137 0.000 0.883 156 K HN 0.546 nan 8.250 nan 0.000 0.496 157 N N 1.265 120.005 118.700 0.065 0.000 2.714 157 N HA -0.190 4.550 4.740 -0.000 0.000 0.250 157 N C -0.136 175.335 175.510 -0.065 0.000 1.117 157 N CA 1.006 54.060 53.050 0.005 0.000 0.719 157 N CB -1.155 37.335 38.487 0.005 0.000 1.081 157 N HN 0.386 nan 8.380 nan 0.000 0.557 158 V N -3.431 116.426 119.914 -0.095 0.000 3.110 158 V HA 0.236 4.356 4.120 -0.000 0.000 0.233 158 V C 0.708 176.353 176.094 -0.748 0.000 1.550 158 V CA 0.524 62.604 62.300 -0.366 0.000 1.186 158 V CB 0.149 31.827 31.823 -0.242 0.000 1.052 158 V HN 0.177 nan 8.190 nan 0.000 0.452 159 F N -0.892 119.008 119.950 -0.083 0.000 2.828 159 F HA 0.342 4.869 4.527 -0.000 0.000 0.368 159 F C 0.989 176.859 175.800 0.117 0.000 0.877 159 F CA -0.402 57.525 58.000 -0.121 0.000 1.071 159 F CB 0.347 38.951 39.000 -0.659 0.000 1.006 159 F HN -0.052 nan 8.300 nan 0.000 0.598 160 Q N 1.985 121.987 119.800 0.337 0.000 2.352 160 Q HA 0.328 4.668 4.340 -0.000 0.000 0.326 160 Q C -0.499 175.633 176.000 0.220 0.000 1.135 160 Q CA 0.547 56.525 55.803 0.292 0.000 1.000 160 Q CB 0.692 29.561 28.738 0.219 0.000 1.237 160 Q HN 0.320 nan 8.270 nan 0.000 0.409 161 A N 3.333 126.276 122.820 0.205 0.000 2.486 161 A HA 0.445 4.765 4.320 -0.000 0.000 0.300 161 A C -1.403 176.256 177.584 0.126 0.000 1.048 161 A CA -0.728 51.402 52.037 0.155 0.000 0.696 161 A CB 1.227 20.325 19.000 0.163 0.000 1.278 161 A HN 0.893 nan 8.150 nan 0.000 0.405 162 D N 0.682 121.143 120.400 0.102 0.000 2.360 162 D HA 0.210 4.850 4.640 -0.000 0.000 0.242 162 D C 0.111 176.465 176.300 0.090 0.000 1.184 162 D CA -0.297 53.754 54.000 0.086 0.000 0.930 162 D CB 0.604 41.446 40.800 0.069 0.000 1.161 162 D HN 0.357 nan 8.370 nan 0.000 0.447 163 D N 0.826 121.274 120.400 0.079 0.000 2.221 163 D HA -0.103 4.537 4.640 -0.000 0.000 0.204 163 D C 2.126 178.498 176.300 0.121 0.000 0.982 163 D CA 1.436 55.490 54.000 0.090 0.000 0.857 163 D CB -0.499 40.338 40.800 0.062 0.000 0.934 163 D HN 0.699 nan 8.370 nan 0.000 0.475 164 G N 0.250 109.108 108.800 0.098 0.000 2.402 164 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 164 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 164 G C 1.731 176.718 174.900 0.145 0.000 1.162 164 G CA 1.214 46.385 45.100 0.119 0.000 0.777 164 G HN 0.220 nan 8.290 nan 0.000 0.539 165 T N 1.123 115.744 114.554 0.111 0.000 2.777 165 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 165 T C 2.230 176.988 174.700 0.097 0.000 1.040 165 T CA 1.110 63.269 62.100 0.099 0.000 1.141 165 T CB -0.218 68.706 68.868 0.095 0.000 0.868 165 T HN 0.127 nan 8.240 nan 0.000 0.444 166 L N 0.435 121.723 121.223 0.108 0.000 2.017 166 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 166 L C 2.128 179.046 176.870 0.081 0.000 1.073 166 L CA 1.726 56.619 54.840 0.089 0.000 0.745 166 L CB -1.023 41.094 42.059 0.096 0.000 0.894 166 L HN 0.313 nan 8.230 nan 0.000 0.432 167 Y N -0.637 119.677 120.300 0.023 0.000 2.097 167 Y HA -0.328 4.222 4.550 -0.000 0.000 0.282 167 Y C 2.700 178.609 175.900 0.015 0.000 1.152 167 Y CA 2.257 60.367 58.100 0.016 0.000 1.136 167 Y CB -0.678 37.791 38.460 0.015 0.000 0.975 167 Y HN 0.294 nan 8.280 nan 0.000 0.498 168 C N -0.122 119.209 119.300 0.052 0.000 2.419 168 C HA -0.152 4.308 4.460 -0.000 0.000 0.281 168 C C 2.616 177.554 174.990 -0.087 0.000 1.336 168 C CA 1.751 60.752 59.018 -0.028 0.000 1.770 168 C CB -1.353 26.431 27.740 0.073 0.000 1.929 168 C HN 0.674 nan 8.230 nan 0.000 0.509 169 T N 1.162 115.683 114.554 -0.055 0.000 2.737 169 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 169 T C 1.732 176.370 174.700 -0.103 0.000 1.038 169 T CA 1.084 63.154 62.100 -0.050 0.000 1.144 169 T CB -0.249 68.612 68.868 -0.012 0.000 0.866 169 T HN 0.453 nan 8.240 nan 0.000 0.434 170 L N 0.539 121.669 121.223 -0.154 0.000 2.042 170 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 170 L C 2.450 179.191 176.870 -0.216 0.000 1.076 170 L CA 1.267 55.995 54.840 -0.186 0.000 0.749 170 L CB -0.642 41.282 42.059 -0.226 0.000 0.893 170 L HN 0.276 nan 8.230 nan 0.000 0.432 171 L N -0.793 120.250 121.223 -0.301 0.000 1.976 171 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 171 L C 2.928 179.724 176.870 -0.123 0.000 1.071 171 L CA 1.249 55.952 54.840 -0.228 0.000 0.746 171 L CB -1.005 40.908 42.059 -0.243 0.000 0.890 171 L HN 0.225 nan 8.230 nan 0.000 0.432 172 A N 0.345 123.106 122.820 -0.098 0.000 1.903 172 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 172 A C 2.545 180.095 177.584 -0.058 0.000 1.191 172 A CA 2.328 54.332 52.037 -0.056 0.000 0.638 172 A CB -0.911 18.067 19.000 -0.037 0.000 0.823 172 A HN 0.458 nan 8.150 nan 0.000 0.451 173 A N -0.371 122.402 122.820 -0.079 0.000 1.865 173 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 173 A C 2.158 179.688 177.584 -0.090 0.000 1.191 173 A CA 2.216 54.199 52.037 -0.091 0.000 0.623 173 A CB -0.573 18.356 19.000 -0.119 0.000 0.826 173 A HN 0.594 nan 8.150 nan 0.000 0.444 174 K N -0.302 120.043 120.400 -0.091 0.000 2.032 174 K HA -0.246 4.074 4.320 -0.000 0.000 0.209 174 K C 2.117 178.700 176.600 -0.029 0.000 1.048 174 K CA 1.909 58.160 56.287 -0.060 0.000 0.927 174 K CB -0.210 32.255 32.500 -0.060 0.000 0.712 174 K HN 0.652 nan 8.250 nan 0.000 0.441 175 E N 0.449 120.629 120.200 -0.034 0.000 2.017 175 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 175 E C 2.057 178.653 176.600 -0.006 0.000 0.997 175 E CA 1.407 57.798 56.400 -0.016 0.000 0.804 175 E CB -0.071 29.617 29.700 -0.019 0.000 0.757 175 E HN 0.345 nan 8.360 nan 0.000 0.448 176 L N -0.590 120.625 121.223 -0.012 0.000 2.291 176 L HA 0.060 4.400 4.340 -0.000 0.000 0.214 176 L C 1.240 178.113 176.870 0.006 0.000 1.120 176 L CA 0.579 55.417 54.840 -0.003 0.000 0.799 176 L CB -0.132 41.923 42.059 -0.006 0.000 0.925 176 L HN 0.481 nan 8.230 nan 0.000 0.446 177 G N 0.318 109.118 108.800 0.000 0.000 2.467 177 G HA2 0.002 3.962 3.960 -0.000 0.000 0.242 177 G HA3 0.002 3.962 3.960 -0.000 0.000 0.242 177 G C -0.148 174.753 174.900 0.002 0.000 1.127 177 G CA -0.086 45.034 45.100 0.033 0.000 0.924 177 G HN 0.527 nan 8.290 nan 0.000 0.499 178 A N -0.591 122.169 122.820 -0.100 0.000 2.430 178 A HA 0.962 5.282 4.320 -0.000 0.000 0.300 178 A C -0.561 176.810 177.584 -0.354 0.000 1.124 178 A CA -0.790 51.158 52.037 -0.148 0.000 0.766 178 A CB 1.915 20.869 19.000 -0.077 0.000 1.328 178 A HN 1.634 nan 8.150 nan 0.000 0.424 179 L N 1.410 122.419 121.223 -0.357 0.000 2.296 179 L HA 0.628 4.968 4.340 -0.000 0.000 0.286 179 L C -0.738 176.014 176.870 -0.197 0.000 1.023 179 L CA -0.298 54.277 54.840 -0.443 0.000 0.812 179 L CB 1.445 43.202 42.059 -0.503 0.000 1.223 179 L HN 0.399 nan 8.230 nan 0.000 0.421 180 V N 6.671 126.498 119.914 -0.145 0.000 2.461 180 V HA 0.365 4.485 4.120 -0.000 0.000 0.275 180 V C 0.532 176.624 176.094 -0.002 0.000 1.047 180 V CA -0.187 62.075 62.300 -0.063 0.000 0.955 180 V CB 1.013 32.804 31.823 -0.054 0.000 0.988 180 V HN 0.800 nan 8.190 nan 0.000 0.471 181 M N 4.907 124.506 119.600 -0.002 0.000 2.537 181 M HA 0.694 5.174 4.480 -0.000 0.000 0.324 181 M C -1.011 175.280 176.300 -0.014 0.000 1.187 181 M CA -0.713 54.618 55.300 0.052 0.000 0.993 181 M CB 2.160 34.755 32.600 -0.007 0.000 1.666 181 M HN 0.352 nan 8.290 nan 0.000 0.461 182 V N 0.442 120.341 119.914 -0.025 0.000 2.808 182 V HA 0.226 4.346 4.120 -0.000 0.000 0.308 182 V C -1.314 174.692 176.094 -0.147 0.000 1.099 182 V CA -0.742 61.506 62.300 -0.087 0.000 0.920 182 V CB 2.066 33.868 31.823 -0.035 0.000 1.014 182 V HN 0.860 nan 8.190 nan 0.000 0.425 183 H N 3.606 122.534 119.070 -0.238 0.000 2.787 183 H HA 0.658 5.214 4.556 -0.000 0.000 0.275 183 H C 0.297 175.618 175.328 -0.012 0.000 1.183 183 H CA -0.039 55.937 56.048 -0.120 0.000 1.290 183 H CB 0.945 30.667 29.762 -0.067 0.000 1.438 183 H HN 0.854 nan 8.280 nan 0.000 0.487 184 A N 5.468 128.195 122.820 -0.155 0.000 2.807 184 A HA 0.259 4.579 4.320 -0.000 0.000 0.307 184 A C -0.245 177.294 177.584 -0.075 0.000 1.532 184 A CA -0.307 51.685 52.037 -0.075 0.000 1.215 184 A CB -0.206 18.742 19.000 -0.086 0.000 1.127 184 A HN 0.872 nan 8.150 nan 0.000 0.543 185 E N 1.258 121.473 120.200 0.025 0.000 2.308 185 E HA 0.111 4.461 4.350 -0.000 0.000 0.275 185 E C -1.021 175.609 176.600 0.050 0.000 0.890 185 E CA -0.804 55.608 56.400 0.019 0.000 0.754 185 E CB 1.435 31.160 29.700 0.042 0.000 1.207 185 E HN 0.600 nan 8.360 nan 0.000 0.426 186 N N 2.394 121.111 118.700 0.028 0.000 2.498 186 N HA -0.011 4.729 4.740 -0.000 0.000 0.277 186 N C 0.904 176.446 175.510 0.054 0.000 1.208 186 N CA 0.282 53.354 53.050 0.038 0.000 1.029 186 N CB 0.688 39.187 38.487 0.019 0.000 1.403 186 N HN 0.785 nan 8.380 nan 0.000 0.500 187 G N 2.893 111.738 108.800 0.075 0.000 2.513 187 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 187 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 187 G C 1.081 176.047 174.900 0.109 0.000 1.160 187 G CA 0.668 45.824 45.100 0.094 0.000 0.767 187 G HN 0.538 nan 8.290 nan 0.000 0.571 188 D N 0.062 120.518 120.400 0.094 0.000 2.149 188 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 188 D C 2.751 179.106 176.300 0.091 0.000 0.990 188 D CA 1.050 55.111 54.000 0.101 0.000 0.839 188 D CB -0.328 40.497 40.800 0.043 0.000 0.948 188 D HN 0.274 nan 8.370 nan 0.000 0.460 189 V N 1.221 121.159 119.914 0.039 0.000 2.346 189 V HA -0.139 3.981 4.120 -0.000 0.000 0.244 189 V C 2.568 178.729 176.094 0.111 0.000 1.037 189 V CA 0.723 63.039 62.300 0.025 0.000 1.029 189 V CB -0.296 31.525 31.823 -0.004 0.000 0.663 189 V HN 0.146 nan 8.190 nan 0.000 0.454 190 I N 0.585 121.215 120.570 0.101 0.000 2.248 190 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 190 I C 2.471 178.691 176.117 0.171 0.000 1.107 190 I CA 2.067 63.437 61.300 0.117 0.000 1.373 190 I CB -0.515 37.541 38.000 0.093 0.000 1.055 190 I HN 0.475 nan 8.210 nan 0.000 0.418 191 D N 0.669 121.187 120.400 0.196 0.000 2.087 191 D HA -0.247 4.393 4.640 -0.000 0.000 0.192 191 D C 2.203 178.645 176.300 0.237 0.000 0.993 191 D CA 1.888 56.016 54.000 0.214 0.000 0.828 191 D CB -0.097 40.843 40.800 0.234 0.000 0.968 191 D HN 0.266 nan 8.370 nan 0.000 0.448 192 Y N 1.159 121.496 120.300 0.061 0.000 2.165 192 Y HA -0.139 4.410 4.550 -0.000 0.000 0.286 192 Y C 2.616 178.556 175.900 0.068 0.000 1.155 192 Y CA 0.706 58.839 58.100 0.055 0.000 1.164 192 Y CB -0.700 37.786 38.460 0.045 0.000 0.978 192 Y HN 0.039 nan 8.280 nan 0.000 0.513 193 L N -1.252 120.120 121.223 0.248 0.000 2.012 193 L HA -0.291 4.049 4.340 -0.000 0.000 0.210 193 L C 2.361 179.348 176.870 0.196 0.000 1.073 193 L CA 1.900 56.851 54.840 0.184 0.000 0.748 193 L CB -1.063 41.087 42.059 0.151 0.000 0.891 193 L HN 0.203 nan 8.230 nan 0.000 0.431 194 T N -0.278 114.407 114.554 0.218 0.000 2.622 194 T HA -0.208 4.142 4.350 -0.000 0.000 0.266 194 T C 1.917 176.715 174.700 0.164 0.000 1.047 194 T CA 1.442 63.705 62.100 0.273 0.000 1.159 194 T CB -0.090 68.909 68.868 0.218 0.000 0.863 194 T HN 0.279 nan 8.240 nan 0.000 0.422 195 K N 0.844 121.287 120.400 0.072 0.000 2.044 195 K HA -0.151 4.168 4.320 -0.000 0.000 0.210 195 K C 2.431 179.042 176.600 0.018 0.000 1.049 195 K CA 1.331 57.617 56.287 -0.001 0.000 0.927 195 K CB -0.197 32.254 32.500 -0.082 0.000 0.713 195 K HN 0.251 nan 8.250 nan 0.000 0.443 196 K N 0.874 121.302 120.400 0.047 0.000 2.057 196 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 196 K C 2.196 178.827 176.600 0.051 0.000 1.049 196 K CA 1.223 57.539 56.287 0.047 0.000 0.931 196 K CB -0.136 32.408 32.500 0.073 0.000 0.714 196 K HN 0.143 nan 8.250 nan 0.000 0.440 197 A N 1.708 124.588 122.820 0.100 0.000 1.873 197 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 197 A C 2.169 179.775 177.584 0.037 0.000 1.193 197 A CA 1.784 53.869 52.037 0.079 0.000 0.629 197 A CB -0.857 18.285 19.000 0.237 0.000 0.826 197 A HN 0.341 nan 8.150 nan 0.000 0.447 198 L N -0.906 120.373 121.223 0.093 0.000 1.989 198 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 198 L C 3.063 179.925 176.870 -0.014 0.000 1.071 198 L CA 1.217 56.072 54.840 0.024 0.000 0.749 198 L CB -0.717 41.321 42.059 -0.035 0.000 0.890 198 L HN 0.449 nan 8.230 nan 0.000 0.431 199 A N -0.598 122.215 122.820 -0.012 0.000 2.139 199 A HA -0.214 4.106 4.320 -0.000 0.000 0.221 199 A C 1.450 179.022 177.584 -0.020 0.000 1.159 199 A CA 1.925 53.951 52.037 -0.019 0.000 0.662 199 A CB -0.415 18.576 19.000 -0.015 0.000 0.796 199 A HN 0.449 nan 8.150 nan 0.000 0.463 200 D N -1.921 118.461 120.400 -0.029 0.000 2.402 200 D HA 0.319 4.959 4.640 -0.000 0.000 0.216 200 D C 1.283 177.543 176.300 -0.066 0.000 1.128 200 D CA 0.829 54.805 54.000 -0.039 0.000 0.833 200 D CB 0.210 40.988 40.800 -0.037 0.000 0.971 200 D HN 0.530 nan 8.370 nan 0.000 0.503 201 G N 1.568 110.330 108.800 -0.064 0.000 2.179 201 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 201 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 201 G C 0.216 175.038 174.900 -0.130 0.000 0.977 201 G CA -0.378 44.682 45.100 -0.066 0.000 0.641 201 G HN 0.243 nan 8.290 nan 0.000 0.533 202 N N 1.349 119.872 118.700 -0.295 0.000 2.402 202 N HA 0.317 5.057 4.740 -0.000 0.000 0.259 202 N C 1.308 176.633 175.510 -0.307 0.000 1.167 202 N CA 1.014 53.601 53.050 -0.772 0.000 0.949 202 N CB 1.097 38.557 38.487 -1.712 0.000 1.212 202 N HN 0.616 nan 8.380 nan 0.000 0.493 203 T N -3.300 111.269 114.554 0.025 0.000 2.975 203 T HA 0.085 4.435 4.350 -0.000 0.000 0.257 203 T C 0.384 175.378 174.700 0.490 0.000 1.003 203 T CA -0.339 61.985 62.100 0.373 0.000 0.932 203 T CB 0.446 69.435 68.868 0.202 0.000 1.087 203 T HN 0.106 nan 8.240 nan 0.000 0.512 204 D N 3.248 123.894 120.400 0.410 0.000 2.390 204 D HA 0.123 4.763 4.640 -0.000 0.000 0.236 204 D C -1.526 174.932 176.300 0.263 0.000 1.189 204 D CA -1.583 52.628 54.000 0.351 0.000 0.887 204 D CB 0.918 41.891 40.800 0.288 0.000 1.198 204 D HN 0.051 nan 8.370 nan 0.000 0.444 205 P HA -0.133 nan 4.420 nan 0.000 0.217 205 P C 1.643 178.910 177.300 -0.055 0.000 1.148 205 P CA 0.694 63.810 63.100 0.028 0.000 0.834 205 P CB 0.217 31.844 31.700 -0.122 0.000 0.783 206 I N -2.077 118.420 120.570 -0.121 0.000 2.361 206 I HA -0.259 3.911 4.170 -0.000 0.000 0.251 206 I C 1.488 177.358 176.117 -0.411 0.000 1.133 206 I CA 1.391 62.538 61.300 -0.255 0.000 1.413 206 I CB -0.166 37.636 38.000 -0.331 0.000 1.073 206 I HN -0.048 nan 8.210 nan 0.000 0.424 207 Y N -0.536 119.540 120.300 -0.375 0.000 2.574 207 Y HA -0.256 4.294 4.550 -0.000 0.000 0.294 207 Y C 2.386 177.772 175.900 -0.856 0.000 1.142 207 Y CA 1.396 59.130 58.100 -0.610 0.000 1.314 207 Y CB -0.622 37.391 38.460 -0.746 0.000 0.991 207 Y HN 0.388 nan 8.280 nan 0.000 0.555 208 H N -0.243 118.426 119.070 -0.668 0.000 2.389 208 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 208 H C 2.112 177.373 175.328 -0.112 0.000 1.081 208 H CA 1.450 57.334 56.048 -0.272 0.000 1.345 208 H CB -0.028 29.731 29.762 -0.005 0.000 1.393 208 H HN 0.209 nan 8.280 nan 0.000 0.520 209 A N 0.631 123.297 122.820 -0.256 0.000 1.855 209 A HA 0.026 4.346 4.320 -0.000 0.000 0.213 209 A C 2.462 179.932 177.584 -0.189 0.000 1.195 209 A CA 1.116 53.012 52.037 -0.235 0.000 0.610 209 A CB -0.797 18.122 19.000 -0.135 0.000 0.837 209 A HN 0.433 nan 8.150 nan 0.000 0.444 210 L N -0.665 120.445 121.223 -0.189 0.000 2.187 210 L HA -0.138 4.202 4.340 -0.000 0.000 0.213 210 L C 2.525 179.367 176.870 -0.047 0.000 1.100 210 L CA 1.548 56.317 54.840 -0.117 0.000 0.765 210 L CB -0.801 41.166 42.059 -0.153 0.000 0.904 210 L HN 0.349 nan 8.230 nan 0.000 0.437 211 T N 0.195 114.712 114.554 -0.061 0.000 3.072 211 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 211 T C 0.853 175.566 174.700 0.020 0.000 1.127 211 T CA 0.459 62.580 62.100 0.034 0.000 1.107 211 T CB -0.064 68.873 68.868 0.115 0.000 0.910 211 T HN 0.417 nan 8.240 nan 0.000 0.513 212 R N 1.492 121.960 120.500 -0.054 0.000 2.718 212 R HA 0.316 4.656 4.340 -0.000 0.000 0.266 212 R C -3.302 172.958 176.300 -0.066 0.000 1.776 212 R CA -1.753 54.316 56.100 -0.051 0.000 1.567 212 R CB 0.499 30.751 30.300 -0.081 0.000 1.336 212 R HN 0.106 nan 8.270 nan 0.000 0.619 213 P HA 0.047 nan 4.420 nan 0.000 0.267 213 P C -1.723 175.548 177.300 -0.050 0.000 1.200 213 P CA -0.799 62.281 63.100 -0.033 0.000 0.772 213 P CB 0.875 32.575 31.700 0.001 0.000 0.855 214 P HA -0.175 nan 4.420 nan 0.000 0.221 214 P C 1.058 178.333 177.300 -0.042 0.000 1.145 214 P CA 1.429 64.468 63.100 -0.101 0.000 0.795 214 P CB 0.166 31.770 31.700 -0.161 0.000 0.775 215 E N 0.331 120.529 120.200 -0.003 0.000 2.085 215 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 215 E C 2.122 178.718 176.600 -0.007 0.000 0.994 215 E CA 1.051 57.457 56.400 0.011 0.000 0.801 215 E CB -1.049 28.665 29.700 0.022 0.000 0.743 215 E HN 0.304 nan 8.360 nan 0.000 0.453 216 L N 0.361 121.576 121.223 -0.015 0.000 2.376 216 L HA -0.067 4.273 4.340 -0.000 0.000 0.219 216 L C 2.402 179.254 176.870 -0.030 0.000 1.133 216 L CA 0.880 55.711 54.840 -0.015 0.000 0.816 216 L CB -0.234 41.820 42.059 -0.008 0.000 0.933 216 L HN 0.168 nan 8.230 nan 0.000 0.449 217 E N 0.539 120.706 120.200 -0.055 0.000 2.086 217 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 217 E C 2.214 178.775 176.600 -0.066 0.000 0.975 217 E CA 0.842 57.194 56.400 -0.081 0.000 0.813 217 E CB 0.008 29.630 29.700 -0.130 0.000 0.768 217 E HN 0.393 nan 8.360 nan 0.000 0.457 218 G N 1.522 110.292 108.800 -0.050 0.000 2.421 218 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.216 218 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.216 218 G C 1.489 176.375 174.900 -0.023 0.000 1.171 218 G CA 0.731 45.811 45.100 -0.033 0.000 0.775 218 G HN 0.219 nan 8.290 nan 0.000 0.543 219 E N 1.361 121.552 120.200 -0.015 0.000 2.033 219 E HA -0.201 4.149 4.350 -0.000 0.000 0.199 219 E C 2.865 179.459 176.600 -0.009 0.000 1.011 219 E CA 1.599 57.994 56.400 -0.009 0.000 0.815 219 E CB -0.697 29.000 29.700 -0.005 0.000 0.755 219 E HN 0.240 nan 8.360 nan 0.000 0.451 220 A N 0.276 123.090 122.820 -0.010 0.000 1.873 220 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 220 A C 2.530 180.105 177.584 -0.014 0.000 1.193 220 A CA 2.828 54.862 52.037 -0.004 0.000 0.629 220 A CB -1.267 17.732 19.000 -0.001 0.000 0.826 220 A HN 0.439 nan 8.150 nan 0.000 0.447 221 T N -0.203 114.331 114.554 -0.033 0.000 2.737 221 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 221 T C 1.912 176.594 174.700 -0.030 0.000 1.040 221 T CA 1.593 63.667 62.100 -0.044 0.000 1.142 221 T CB -0.715 68.115 68.868 -0.062 0.000 0.861 221 T HN 0.640 nan 8.240 nan 0.000 0.456 222 G N 1.603 110.390 108.800 -0.022 0.000 2.433 222 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 222 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 222 G C 1.704 176.600 174.900 -0.005 0.000 1.186 222 G CA 0.399 45.489 45.100 -0.015 0.000 0.779 222 G HN 0.412 nan 8.290 nan 0.000 0.543 223 R N 0.679 121.181 120.500 0.002 0.000 2.094 223 R HA -0.096 4.244 4.340 -0.000 0.000 0.239 223 R C 3.044 179.358 176.300 0.023 0.000 1.137 223 R CA 1.328 57.437 56.100 0.015 0.000 0.943 223 R CB -0.723 29.590 30.300 0.021 0.000 0.850 223 R HN 0.343 nan 8.270 nan 0.000 0.433 224 A N 1.090 123.920 122.820 0.016 0.000 1.903 224 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 224 A C 2.576 180.167 177.584 0.012 0.000 1.191 224 A CA 1.900 53.947 52.037 0.017 0.000 0.638 224 A CB -1.048 17.952 19.000 -0.000 0.000 0.823 224 A HN 0.488 nan 8.150 nan 0.000 0.451 225 C N -1.179 118.119 119.300 -0.003 0.000 2.442 225 C HA -0.135 4.325 4.460 -0.000 0.000 0.279 225 C C 2.934 177.927 174.990 0.004 0.000 1.237 225 C CA 1.202 60.214 59.018 -0.011 0.000 1.722 225 C CB -1.492 26.232 27.740 -0.028 0.000 2.056 225 C HN 0.701 nan 8.230 nan 0.000 0.469 226 Q N 0.293 120.098 119.800 0.010 0.000 2.077 226 Q HA -0.219 4.121 4.340 -0.000 0.000 0.206 226 Q C 2.195 178.225 176.000 0.050 0.000 0.989 226 Q CA 1.535 57.350 55.803 0.020 0.000 0.853 226 Q CB -0.371 28.375 28.738 0.014 0.000 0.907 226 Q HN 0.677 nan 8.270 nan 0.000 0.418 227 L N 0.020 121.286 121.223 0.072 0.000 2.046 227 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 227 L C 2.456 179.403 176.870 0.128 0.000 1.077 227 L CA 1.356 56.286 54.840 0.149 0.000 0.747 227 L CB -0.842 41.323 42.059 0.176 0.000 0.896 227 L HN 0.279 nan 8.230 nan 0.000 0.432 228 T N -0.904 113.683 114.554 0.056 0.000 2.759 228 T HA -0.258 4.092 4.350 -0.000 0.000 0.269 228 T C 1.713 176.425 174.700 0.020 0.000 1.042 228 T CA 1.659 63.768 62.100 0.015 0.000 1.140 228 T CB -0.152 68.715 68.868 -0.001 0.000 0.864 228 T HN 0.420 nan 8.240 nan 0.000 0.455 229 E N 0.566 120.784 120.200 0.030 0.000 2.015 229 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 229 E C 2.242 178.875 176.600 0.055 0.000 0.991 229 E CA 0.945 57.360 56.400 0.026 0.000 0.802 229 E CB -0.260 29.450 29.700 0.016 0.000 0.759 229 E HN 0.298 nan 8.360 nan 0.000 0.447 230 L N 1.156 122.437 121.223 0.098 0.000 2.021 230 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 230 L C 2.338 179.323 176.870 0.191 0.000 1.074 230 L CA 2.538 57.469 54.840 0.152 0.000 0.760 230 L CB -0.696 41.488 42.059 0.208 0.000 0.889 230 L HN 0.257 nan 8.230 nan 0.000 0.433 231 A N -1.147 121.777 122.820 0.173 0.000 2.066 231 A HA 0.210 4.530 4.320 -0.000 0.000 0.218 231 A C 1.806 179.376 177.584 -0.023 0.000 1.157 231 A CA 0.952 52.976 52.037 -0.021 0.000 0.670 231 A CB -1.077 17.741 19.000 -0.304 0.000 0.804 231 A HN 0.989 nan 8.150 nan 0.000 0.453 232 G N -0.348 108.455 108.800 0.005 0.000 2.198 232 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 232 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 232 G C 0.519 175.413 174.900 -0.010 0.000 1.025 232 G CA 1.194 46.295 45.100 0.003 0.000 0.769 232 G HN 1.482 nan 8.290 nan 0.000 0.507 233 S N -1.056 114.625 115.700 -0.032 0.000 2.638 233 S HA 0.825 5.295 4.470 -0.000 0.000 0.256 233 S C -0.017 174.573 174.600 -0.016 0.000 1.089 233 S CA 0.139 58.315 58.200 -0.040 0.000 1.020 233 S CB 1.170 64.315 63.200 -0.091 0.000 1.252 233 S HN 0.996 nan 8.310 nan 0.000 0.542 234 Q N 0.398 120.166 119.800 -0.054 0.000 2.353 234 Q HA 0.724 5.064 4.340 -0.000 0.000 0.268 234 Q C -1.637 174.363 176.000 0.001 0.000 1.045 234 Q CA -0.845 54.958 55.803 -0.001 0.000 0.811 234 Q CB 1.704 30.412 28.738 -0.050 0.000 1.305 234 Q HN 0.561 nan 8.270 nan 0.000 0.447 235 L N 2.346 123.627 121.223 0.098 0.000 2.333 235 L HA 0.628 4.968 4.340 -0.000 0.000 0.269 235 L C -1.813 175.219 176.870 0.270 0.000 1.010 235 L CA -0.882 54.024 54.840 0.109 0.000 0.818 235 L CB 1.986 44.071 42.059 0.043 0.000 1.306 235 L HN 0.697 nan 8.230 nan 0.000 0.430 236 Y N 3.669 124.009 120.300 0.067 0.000 2.359 236 Y HA 0.531 5.081 4.550 -0.000 0.000 0.336 236 Y C -1.363 174.546 175.900 0.015 0.000 1.098 236 Y CA -0.917 57.242 58.100 0.099 0.000 1.272 236 Y CB 1.207 39.694 38.460 0.045 0.000 1.112 236 Y HN 0.292 nan 8.280 nan 0.000 0.481 237 V N 7.270 127.090 119.914 -0.157 0.000 2.439 237 V HA 0.236 4.356 4.120 -0.000 0.000 0.271 237 V C 0.447 176.362 176.094 -0.298 0.000 1.040 237 V CA -0.356 61.837 62.300 -0.180 0.000 1.002 237 V CB 0.361 32.082 31.823 -0.170 0.000 1.000 237 V HN 0.620 nan 8.190 nan 0.000 0.477 238 V N 3.232 122.994 119.914 -0.252 0.000 2.834 238 V HA 0.431 4.551 4.120 -0.000 0.000 0.301 238 V C 0.542 176.307 176.094 -0.548 0.000 1.066 238 V CA -0.536 61.578 62.300 -0.310 0.000 1.052 238 V CB 0.287 31.880 31.823 -0.382 0.000 1.021 238 V HN 1.300 nan 8.190 nan 0.000 0.480 239 H N 0.589 119.709 119.070 0.082 0.000 2.252 239 H HA -0.119 4.437 4.556 -0.000 0.000 0.314 239 H C -0.513 174.652 175.328 -0.271 0.000 0.918 239 H CA 0.356 56.377 56.048 -0.045 0.000 1.042 239 H CB -2.621 27.167 29.762 0.043 0.000 1.604 239 H HN 0.701 nan 8.280 nan 0.000 0.331 240 V N 2.580 122.420 119.914 -0.124 0.000 2.521 240 V HA 0.091 4.211 4.120 -0.000 0.000 0.286 240 V C 1.301 177.210 176.094 -0.308 0.000 1.034 240 V CA 0.789 62.975 62.300 -0.190 0.000 1.045 240 V CB 1.327 33.056 31.823 -0.157 0.000 0.974 240 V HN 0.943 nan 8.190 nan 0.000 0.480 241 T N 2.858 117.182 114.554 -0.382 0.000 3.151 241 T HA 0.082 4.432 4.350 -0.000 0.000 0.239 241 T C 0.724 175.207 174.700 -0.361 0.000 0.979 241 T CA 0.725 62.521 62.100 -0.506 0.000 1.194 241 T CB 0.376 68.839 68.868 -0.676 0.000 0.982 241 T HN 0.873 nan 8.240 nan 0.000 0.428 242 C N 1.313 120.403 119.300 -0.350 0.000 2.328 242 C HA 0.941 5.401 4.460 -0.000 0.000 0.378 242 C C 2.238 177.181 174.990 -0.078 0.000 1.249 242 C CA -0.645 58.140 59.018 -0.388 0.000 2.204 242 C CB 0.439 27.915 27.740 -0.441 0.000 2.218 242 C HN 0.497 nan 8.230 nan 0.000 0.564 243 A N 0.035 122.960 122.820 0.174 0.000 1.855 243 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 243 A C 2.097 179.726 177.584 0.075 0.000 1.191 243 A CA 2.022 54.125 52.037 0.110 0.000 0.613 243 A CB -1.066 18.012 19.000 0.130 0.000 0.829 243 A HN 0.957 nan 8.150 nan 0.000 0.442 244 Q N 0.077 119.934 119.800 0.096 0.000 2.156 244 Q HA -0.200 4.140 4.340 -0.000 0.000 0.211 244 Q C 2.261 178.262 176.000 0.001 0.000 0.995 244 Q CA 2.287 58.123 55.803 0.054 0.000 0.877 244 Q CB -0.673 28.095 28.738 0.049 0.000 0.920 244 Q HN 0.688 nan 8.270 nan 0.000 0.416 245 A N -0.116 122.682 122.820 -0.037 0.000 1.873 245 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 245 A C 2.348 179.897 177.584 -0.058 0.000 1.186 245 A CA 1.489 53.488 52.037 -0.065 0.000 0.616 245 A CB -0.824 18.111 19.000 -0.108 0.000 0.823 245 A HN 0.223 nan 8.150 nan 0.000 0.442 246 V N 0.320 120.204 119.914 -0.051 0.000 2.324 246 V HA -0.324 3.796 4.120 -0.000 0.000 0.250 246 V C 2.519 178.596 176.094 -0.029 0.000 1.060 246 V CA 2.447 64.721 62.300 -0.044 0.000 1.042 246 V CB -0.848 30.961 31.823 -0.024 0.000 0.650 246 V HN 0.764 nan 8.190 nan 0.000 0.450 247 E N 0.176 120.371 120.200 -0.008 0.000 2.038 247 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 247 E C 2.330 178.918 176.600 -0.020 0.000 1.000 247 E CA 1.297 57.696 56.400 -0.002 0.000 0.803 247 E CB -0.008 29.703 29.700 0.019 0.000 0.750 247 E HN 0.437 nan 8.360 nan 0.000 0.448 248 K N 0.529 120.914 120.400 -0.025 0.000 2.044 248 K HA -0.162 4.158 4.320 -0.000 0.000 0.210 248 K C 2.232 178.801 176.600 -0.051 0.000 1.049 248 K CA 1.224 57.490 56.287 -0.034 0.000 0.927 248 K CB -0.565 31.914 32.500 -0.034 0.000 0.713 248 K HN 0.363 nan 8.250 nan 0.000 0.443 249 I N 0.945 121.476 120.570 -0.064 0.000 2.361 249 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 249 I C 2.437 178.498 176.117 -0.092 0.000 1.133 249 I CA 0.941 62.189 61.300 -0.087 0.000 1.413 249 I CB -0.387 37.554 38.000 -0.098 0.000 1.073 249 I HN 0.060 nan 8.210 nan 0.000 0.424 250 A N 0.774 123.553 122.820 -0.068 0.000 1.873 250 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 250 A C 2.202 179.747 177.584 -0.065 0.000 1.186 250 A CA 1.526 53.524 52.037 -0.064 0.000 0.616 250 A CB -0.529 18.448 19.000 -0.039 0.000 0.823 250 A HN 0.412 nan 8.150 nan 0.000 0.442 251 E N -0.042 120.127 120.200 -0.051 0.000 2.038 251 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 251 E C 2.366 178.929 176.600 -0.061 0.000 1.000 251 E CA 1.065 57.437 56.400 -0.046 0.000 0.803 251 E CB -0.384 29.295 29.700 -0.034 0.000 0.750 251 E HN 0.602 nan 8.360 nan 0.000 0.448 252 A N 1.782 124.559 122.820 -0.071 0.000 1.859 252 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 252 A C 2.106 179.622 177.584 -0.114 0.000 1.198 252 A CA 1.904 53.889 52.037 -0.086 0.000 0.629 252 A CB -0.655 18.287 19.000 -0.097 0.000 0.830 252 A HN 0.118 nan 8.150 nan 0.000 0.446 253 R N -0.583 119.828 120.500 -0.149 0.000 2.152 253 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 253 R C 1.754 177.974 176.300 -0.133 0.000 1.117 253 R CA 1.208 57.196 56.100 -0.187 0.000 0.981 253 R CB -0.374 29.788 30.300 -0.230 0.000 0.870 253 R HN 0.531 nan 8.270 nan 0.000 0.451 254 N N 1.092 119.734 118.700 -0.096 0.000 2.142 254 N HA -0.115 4.625 4.740 -0.000 0.000 0.186 254 N C 1.030 176.502 175.510 -0.063 0.000 1.023 254 N CA 1.192 54.200 53.050 -0.071 0.000 0.852 254 N CB -0.020 38.436 38.487 -0.052 0.000 0.998 254 N HN 0.194 nan 8.380 nan 0.000 0.424 255 K N 0.101 120.464 120.400 -0.062 0.000 2.589 255 K HA 0.081 4.401 4.320 -0.000 0.000 0.192 255 K C 0.808 177.374 176.600 -0.056 0.000 1.029 255 K CA 0.439 56.696 56.287 -0.051 0.000 1.031 255 K CB -0.006 32.468 32.500 -0.044 0.000 0.821 255 K HN 0.276 nan 8.250 nan 0.000 0.502 256 G N 1.432 110.186 108.800 -0.076 0.000 2.179 256 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 256 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 256 G C 0.206 175.053 174.900 -0.089 0.000 0.977 256 G CA -0.107 44.945 45.100 -0.079 0.000 0.641 256 G HN 0.210 nan 8.290 nan 0.000 0.533 257 L N 0.890 122.056 121.223 -0.094 0.000 2.506 257 L HA 0.198 4.538 4.340 -0.000 0.000 0.281 257 L C 0.720 177.501 176.870 -0.148 0.000 1.228 257 L CA -0.027 54.758 54.840 -0.091 0.000 0.850 257 L CB 0.398 42.408 42.059 -0.082 0.000 1.110 257 L HN 0.072 nan 8.230 nan 0.000 0.496 258 D N 2.722 123.061 120.400 -0.101 0.000 2.619 258 D HA 0.211 4.851 4.640 -0.000 0.000 0.224 258 D C -0.757 175.438 176.300 -0.174 0.000 1.133 258 D CA -0.036 53.894 54.000 -0.116 0.000 1.017 258 D CB 0.187 41.043 40.800 0.092 0.000 1.077 258 D HN 0.050 nan 8.370 nan 0.000 0.503 259 V N 2.110 121.786 119.914 -0.398 0.000 2.581 259 V HA 0.544 4.663 4.120 -0.000 0.000 0.303 259 V C -0.448 175.273 176.094 -0.621 0.000 1.041 259 V CA -0.736 61.376 62.300 -0.313 0.000 0.907 259 V CB 1.756 33.459 31.823 -0.199 0.000 0.994 259 V HN 0.254 nan 8.190 nan 0.000 0.442 260 W N 1.231 122.481 121.300 -0.083 0.000 2.936 260 W HA 0.773 5.433 4.660 -0.000 0.000 0.338 260 W C 0.209 176.533 176.519 -0.324 0.000 1.121 260 W CA -0.657 56.595 57.345 -0.155 0.000 1.209 260 W CB 2.106 31.514 29.460 -0.086 0.000 1.420 260 W HN 0.786 nan 8.180 nan 0.000 0.516 261 G N 0.979 109.726 108.800 -0.089 0.000 2.482 261 G HA2 0.626 4.586 3.960 -0.000 0.000 0.317 261 G HA3 0.626 4.586 3.960 -0.000 0.000 0.317 261 G C -1.776 172.965 174.900 -0.264 0.000 1.241 261 G CA -0.559 44.406 45.100 -0.225 0.000 0.967 261 G HN 0.408 nan 8.290 nan 0.000 0.482 262 E N 0.264 120.283 120.200 -0.301 0.000 2.367 262 E HA 0.693 5.043 4.350 -0.000 0.000 0.273 262 E C -1.005 175.553 176.600 -0.070 0.000 0.903 262 E CA -0.493 55.810 56.400 -0.162 0.000 0.764 262 E CB 2.374 31.989 29.700 -0.143 0.000 1.252 262 E HN 0.389 nan 8.360 nan 0.000 0.446 263 T N 0.695 115.241 114.554 -0.013 0.000 2.804 263 T HA 0.582 4.932 4.350 -0.000 0.000 0.290 263 T C -1.008 173.737 174.700 0.075 0.000 1.099 263 T CA -0.422 61.687 62.100 0.016 0.000 1.011 263 T CB 1.206 70.035 68.868 -0.066 0.000 1.291 263 T HN 0.637 nan 8.240 nan 0.000 0.523 264 C N 2.057 121.445 119.300 0.146 0.000 2.797 264 C HA 0.480 4.940 4.460 -0.000 0.000 0.306 264 C C -1.341 173.632 174.990 -0.027 0.000 1.207 264 C CA -1.553 57.501 59.018 0.060 0.000 1.507 264 C CB 2.040 29.812 27.740 0.054 0.000 2.028 264 C HN 0.643 nan 8.230 nan 0.000 0.475 265 P HA -0.291 nan 4.420 nan 0.000 0.217 265 P C 1.509 178.783 177.300 -0.042 0.000 1.158 265 P CA 2.245 65.287 63.100 -0.096 0.000 0.887 265 P CB 0.041 31.664 31.700 -0.128 0.000 0.792 266 Q N -0.183 119.579 119.800 -0.063 0.000 2.217 266 Q HA -0.213 4.127 4.340 -0.000 0.000 0.209 266 Q C 1.937 177.805 176.000 -0.222 0.000 0.988 266 Q CA 1.843 57.553 55.803 -0.155 0.000 0.878 266 Q CB -1.673 26.609 28.738 -0.760 0.000 0.909 266 Q HN 0.426 nan 8.270 nan 0.000 0.424 267 Y N -0.456 119.823 120.300 -0.035 0.000 2.517 267 Y HA 0.054 4.604 4.550 -0.000 0.000 0.281 267 Y C 1.973 177.824 175.900 -0.080 0.000 1.125 267 Y CA -0.079 57.994 58.100 -0.045 0.000 1.283 267 Y CB 0.333 38.741 38.460 -0.087 0.000 1.042 267 Y HN 0.045 nan 8.280 nan 0.000 0.547 268 L N -1.510 119.710 121.223 -0.006 0.000 2.249 268 L HA 0.013 4.353 4.340 -0.000 0.000 0.207 268 L C 1.710 178.640 176.870 0.100 0.000 1.090 268 L CA 1.034 55.788 54.840 -0.144 0.000 0.802 268 L CB -0.049 41.760 42.059 -0.416 0.000 0.947 268 L HN 0.011 nan 8.230 nan 0.000 0.453 269 V N -1.678 118.303 119.914 0.113 0.000 3.013 269 V HA 0.144 4.264 4.120 -0.000 0.000 0.238 269 V C 0.996 177.155 176.094 0.109 0.000 1.161 269 V CA 0.018 62.418 62.300 0.167 0.000 1.170 269 V CB 0.420 32.328 31.823 0.140 0.000 0.917 269 V HN 0.003 nan 8.190 nan 0.000 0.478 270 L N 1.094 122.334 121.223 0.028 0.000 2.469 270 L HA 0.532 4.872 4.340 -0.000 0.000 0.253 270 L C -0.328 176.479 176.870 -0.104 0.000 1.143 270 L CA -0.147 54.538 54.840 -0.258 0.000 0.804 270 L CB 0.824 42.642 42.059 -0.401 0.000 1.214 270 L HN 0.500 nan 8.230 nan 0.000 0.476 271 D N -2.850 117.463 120.400 -0.144 0.000 2.677 271 D HA 0.092 4.732 4.640 -0.000 0.000 0.298 271 D C 0.161 176.510 176.300 0.081 0.000 1.250 271 D CA -0.769 53.264 54.000 0.055 0.000 0.888 271 D CB 1.061 41.938 40.800 0.128 0.000 1.397 271 D HN 0.483 nan 8.370 nan 0.000 0.461 272 Q N -0.004 119.840 119.800 0.072 0.000 2.133 272 Q HA -0.275 4.065 4.340 -0.000 0.000 0.208 272 Q C 1.717 177.734 176.000 0.028 0.000 0.991 272 Q CA 2.904 58.728 55.803 0.035 0.000 0.867 272 Q CB -0.263 28.487 28.738 0.019 0.000 0.911 272 Q HN 0.592 nan 8.270 nan 0.000 0.417 273 S N -0.569 115.168 115.700 0.062 0.000 2.380 273 S HA -0.241 4.229 4.470 -0.000 0.000 0.229 273 S C 1.644 176.209 174.600 -0.059 0.000 1.043 273 S CA 1.472 59.670 58.200 -0.003 0.000 1.038 273 S CB -1.063 62.126 63.200 -0.018 0.000 0.872 273 S HN 0.544 nan 8.310 nan 0.000 0.456 274 Y N 1.939 122.080 120.300 -0.264 0.000 2.446 274 Y HA 0.015 4.565 4.550 -0.000 0.000 0.287 274 Y C 2.108 177.826 175.900 -0.304 0.000 1.159 274 Y CA 0.545 58.358 58.100 -0.478 0.000 1.297 274 Y CB -0.628 37.173 38.460 -1.098 0.000 0.974 274 Y HN 0.280 nan 8.280 nan 0.000 0.557 275 L N -0.735 120.458 121.223 -0.049 0.000 2.418 275 L HA -0.090 4.250 4.340 -0.000 0.000 0.218 275 L C 1.714 178.545 176.870 -0.065 0.000 1.125 275 L CA 0.893 55.705 54.840 -0.047 0.000 0.835 275 L CB -0.168 41.845 42.059 -0.076 0.000 0.953 275 L HN 0.282 nan 8.230 nan 0.000 0.454 276 E N 0.226 120.381 120.200 -0.075 0.000 2.276 276 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 276 E C 0.830 177.396 176.600 -0.056 0.000 0.983 276 E CA -0.086 56.273 56.400 -0.069 0.000 0.861 276 E CB 0.270 29.924 29.700 -0.077 0.000 0.817 276 E HN 0.238 nan 8.360 nan 0.000 0.485 277 K N 2.698 123.048 120.400 -0.084 0.000 2.245 277 K HA 0.077 4.397 4.320 -0.000 0.000 0.281 277 K C -2.556 174.023 176.600 -0.035 0.000 1.079 277 K CA -0.557 55.679 56.287 -0.084 0.000 1.000 277 K CB 0.305 32.700 32.500 -0.174 0.000 1.038 277 K HN -0.104 nan 8.250 nan 0.000 0.430 278 P HA 0.151 nan 4.420 nan 0.000 0.383 278 P C -1.189 176.155 177.300 0.073 0.000 1.216 278 P CA -0.565 62.548 63.100 0.022 0.000 1.570 278 P CB 1.243 32.947 31.700 0.006 0.000 3.134 279 N N -0.512 118.248 118.700 0.100 0.000 2.453 279 N HA -0.293 4.447 4.740 -0.000 0.000 0.177 279 N C 0.322 175.999 175.510 0.278 0.000 0.529 279 N CA 2.232 55.377 53.050 0.158 0.000 1.553 279 N CB -1.590 36.990 38.487 0.156 0.000 1.408 279 N HN 0.590 nan 8.380 nan 0.000 0.400 280 F N 2.063 122.087 119.950 0.124 0.000 2.915 280 F HA 0.319 4.846 4.527 -0.000 0.000 0.347 280 F C 1.526 177.459 175.800 0.222 0.000 1.104 280 F CA -0.099 58.005 58.000 0.172 0.000 1.126 280 F CB 0.265 39.370 39.000 0.175 0.000 1.145 280 F HN 0.100 nan 8.300 nan 0.000 0.541 281 E N 0.607 120.858 120.200 0.085 0.000 2.187 281 E HA -0.211 4.138 4.350 -0.000 0.000 0.199 281 E C 2.322 178.731 176.600 -0.318 0.000 1.004 281 E CA 1.291 57.531 56.400 -0.266 0.000 0.813 281 E CB -0.601 29.010 29.700 -0.148 0.000 0.736 281 E HN 0.581 nan 8.360 nan 0.000 0.468 282 G N 1.550 110.239 108.800 -0.185 0.000 2.529 282 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.219 282 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.219 282 G C 1.741 176.460 174.900 -0.303 0.000 1.177 282 G CA 1.759 46.775 45.100 -0.139 0.000 0.773 282 G HN 0.429 nan 8.290 nan 0.000 0.573 283 A N 0.507 122.983 122.820 -0.572 0.000 2.093 283 A HA -0.137 4.183 4.320 -0.000 0.000 0.222 283 A C 2.252 179.552 177.584 -0.473 0.000 1.162 283 A CA 2.126 53.816 52.037 -0.578 0.000 0.655 283 A CB -0.388 18.038 19.000 -0.957 0.000 0.805 283 A HN 0.475 nan 8.150 nan 0.000 0.461 284 K N -1.816 118.162 120.400 -0.703 0.000 2.211 284 K HA -0.116 4.204 4.320 -0.000 0.000 0.203 284 K C 0.437 176.489 176.600 -0.914 0.000 1.050 284 K CA 1.330 57.001 56.287 -1.028 0.000 0.945 284 K CB -0.168 31.382 32.500 -1.584 0.000 0.732 284 K HN 0.724 nan 8.250 nan 0.000 0.451 285 Y N -0.119 119.849 120.300 -0.553 0.000 2.607 285 Y HA 0.138 4.688 4.550 -0.000 0.000 0.266 285 Y C 0.145 175.156 175.900 -1.482 0.000 1.178 285 Y CA -0.541 56.885 58.100 -1.123 0.000 1.226 285 Y CB 0.465 38.523 38.460 -0.669 0.000 1.144 285 Y HN -0.306 nan 8.280 nan 0.000 0.528 286 V N 2.430 121.887 119.914 -0.761 0.000 2.405 286 V HA 0.152 4.272 4.120 -0.000 0.000 0.264 286 V C -0.660 175.239 176.094 -0.325 0.000 1.048 286 V CA -0.344 61.611 62.300 -0.575 0.000 0.966 286 V CB -0.931 30.631 31.823 -0.435 0.000 1.015 286 V HN 0.456 nan 8.190 nan 0.000 0.477 287 W N 2.869 124.244 121.300 0.126 0.000 3.153 287 W HA 0.743 5.403 4.660 -0.000 0.000 0.316 287 W C -1.013 175.749 176.519 0.405 0.000 1.255 287 W CA -1.227 56.247 57.345 0.215 0.000 1.192 287 W CB 0.608 30.154 29.460 0.144 0.000 1.400 287 W HN 0.205 nan 8.180 nan 0.000 0.568 288 S N 2.073 118.178 115.700 0.676 0.000 2.482 288 S HA 0.705 5.175 4.470 -0.000 0.000 0.303 288 S C -2.569 172.144 174.600 0.188 0.000 1.091 288 S CA -1.188 57.304 58.200 0.486 0.000 1.057 288 S CB 1.810 65.285 63.200 0.458 0.000 1.031 288 S HN 0.181 nan 8.310 nan 0.000 0.485 289 P HA 0.240 nan 4.420 nan 0.000 0.272 289 P C -2.500 174.963 177.300 0.273 0.000 1.230 289 P CA -1.217 61.874 63.100 -0.014 0.000 0.788 289 P CB -0.224 31.320 31.700 -0.260 0.000 0.949 290 P HA 0.078 nan 4.420 nan 0.000 0.272 290 P C -0.330 177.139 177.300 0.281 0.000 1.230 290 P CA 0.007 63.230 63.100 0.205 0.000 0.788 290 P CB 0.602 32.257 31.700 -0.075 0.000 0.949 291 L N 2.162 123.571 121.223 0.310 0.000 2.485 291 L HA 0.080 4.420 4.340 -0.000 0.000 0.275 291 L C 1.628 178.547 176.870 0.083 0.000 1.207 291 L CA 0.149 55.159 54.840 0.283 0.000 0.855 291 L CB -0.181 41.984 42.059 0.176 0.000 1.114 291 L HN 0.350 nan 8.230 nan 0.000 0.485 292 R N 1.934 122.443 120.500 0.016 0.000 2.730 292 R HA 0.408 4.748 4.340 -0.000 0.000 0.228 292 R C -0.438 175.850 176.300 -0.020 0.000 1.312 292 R CA -0.960 55.066 56.100 -0.122 0.000 1.093 292 R CB 0.258 30.276 30.300 -0.470 0.000 1.583 292 R HN 0.504 nan 8.270 nan 0.000 0.535 293 E N 1.374 121.591 120.200 0.028 0.000 2.360 293 E HA -0.026 4.324 4.350 -0.000 0.000 0.269 293 E C 0.663 177.327 176.600 0.106 0.000 1.022 293 E CA -0.129 56.356 56.400 0.141 0.000 0.887 293 E CB 0.777 30.671 29.700 0.323 0.000 0.990 293 E HN 0.274 nan 8.360 nan 0.000 0.426 294 K N 4.205 124.701 120.400 0.161 0.000 2.148 294 K HA -0.230 4.090 4.320 -0.000 0.000 0.213 294 K C 1.634 178.345 176.600 0.185 0.000 1.050 294 K CA 2.331 58.720 56.287 0.170 0.000 0.932 294 K CB -0.280 32.332 32.500 0.186 0.000 0.717 294 K HN 0.829 nan 8.250 nan 0.000 0.462 295 W N -0.390 120.969 121.300 0.097 0.000 2.421 295 W HA -0.177 4.483 4.660 -0.000 0.000 0.270 295 W C 1.074 177.586 176.519 -0.012 0.000 1.233 295 W CA 1.042 58.400 57.345 0.021 0.000 1.226 295 W CB -0.868 28.557 29.460 -0.058 0.000 1.121 295 W HN 0.186 nan 8.180 nan 0.000 0.579 296 H N 1.190 119.877 119.070 -0.638 0.000 2.457 296 H HA -0.086 4.470 4.556 -0.000 0.000 0.294 296 H C 2.173 177.391 175.328 -0.183 0.000 1.064 296 H CA 1.849 57.502 56.048 -0.659 0.000 1.330 296 H CB -0.223 29.102 29.762 -0.729 0.000 1.395 296 H HN 0.371 nan 8.280 nan 0.000 0.541 297 Q N 0.745 120.584 119.800 0.064 0.000 2.173 297 Q HA -0.194 4.146 4.340 -0.000 0.000 0.208 297 Q C 2.083 178.242 176.000 0.266 0.000 0.989 297 Q CA 1.421 57.312 55.803 0.146 0.000 0.872 297 Q CB 0.005 28.883 28.738 0.233 0.000 0.909 297 Q HN 0.590 nan 8.270 nan 0.000 0.420 298 E N -0.279 120.079 120.200 0.264 0.000 2.023 298 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 298 E C 2.111 178.851 176.600 0.233 0.000 1.003 298 E CA 1.577 58.148 56.400 0.285 0.000 0.809 298 E CB -0.019 29.815 29.700 0.222 0.000 0.755 298 E HN 0.145 nan 8.360 nan 0.000 0.449 299 V N 1.849 121.859 119.914 0.159 0.000 2.278 299 V HA -0.328 3.792 4.120 -0.000 0.000 0.251 299 V C 2.429 178.567 176.094 0.074 0.000 1.062 299 V CA 1.743 64.110 62.300 0.111 0.000 1.038 299 V CB -0.684 31.183 31.823 0.073 0.000 0.646 299 V HN 0.303 nan 8.190 nan 0.000 0.447 300 L N -1.873 119.365 121.223 0.025 0.000 1.989 300 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 300 L C 2.512 179.358 176.870 -0.040 0.000 1.071 300 L CA 2.375 57.174 54.840 -0.068 0.000 0.749 300 L CB -0.650 41.302 42.059 -0.178 0.000 0.890 300 L HN 0.382 nan 8.230 nan 0.000 0.431 301 W N 0.557 121.876 121.300 0.031 0.000 2.318 301 W HA -0.225 4.435 4.660 -0.000 0.000 0.313 301 W C 2.690 179.223 176.519 0.023 0.000 1.221 301 W CA 1.030 58.391 57.345 0.028 0.000 1.266 301 W CB -0.466 29.011 29.460 0.029 0.000 1.150 301 W HN 0.206 nan 8.180 nan 0.000 0.496 302 N N 0.145 119.001 118.700 0.259 0.000 2.104 302 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 302 N C 1.718 177.290 175.510 0.104 0.000 1.024 302 N CA 1.832 54.975 53.050 0.156 0.000 0.853 302 N CB -0.924 37.634 38.487 0.119 0.000 1.008 302 N HN 0.159 nan 8.380 nan 0.000 0.424 303 A N 1.236 124.101 122.820 0.075 0.000 1.908 303 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 303 A C 2.246 179.850 177.584 0.034 0.000 1.181 303 A CA 1.040 53.096 52.037 0.032 0.000 0.627 303 A CB -0.642 18.357 19.000 -0.002 0.000 0.818 303 A HN 0.139 nan 8.150 nan 0.000 0.445 304 L N -0.274 120.978 121.223 0.047 0.000 2.056 304 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 304 L C 2.373 179.301 176.870 0.095 0.000 1.078 304 L CA 2.395 57.267 54.840 0.054 0.000 0.749 304 L CB -0.622 41.464 42.059 0.043 0.000 0.901 304 L HN 0.540 nan 8.230 nan 0.000 0.433 305 K N -0.825 119.653 120.400 0.130 0.000 2.002 305 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 305 K C 1.789 178.431 176.600 0.070 0.000 1.048 305 K CA 1.633 57.988 56.287 0.113 0.000 0.930 305 K CB -0.094 32.477 32.500 0.118 0.000 0.714 305 K HN 0.302 nan 8.250 nan 0.000 0.438 306 N N -0.975 117.759 118.700 0.057 0.000 2.412 306 N HA 0.010 4.750 4.740 -0.000 0.000 0.184 306 N C 0.530 176.053 175.510 0.022 0.000 1.101 306 N CA 1.027 54.098 53.050 0.035 0.000 0.881 306 N CB 1.122 39.626 38.487 0.028 0.000 0.969 306 N HN 0.541 nan 8.380 nan 0.000 0.459 307 G N 0.893 109.708 108.800 0.025 0.000 2.179 307 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 307 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 307 G C 1.025 175.920 174.900 -0.008 0.000 0.990 307 G CA 0.069 45.178 45.100 0.015 0.000 0.646 307 G HN 0.244 nan 8.290 nan 0.000 0.517 308 Q N -0.038 119.753 119.800 -0.016 0.000 2.135 308 Q HA 0.088 4.428 4.340 -0.000 0.000 0.204 308 Q C 1.533 177.506 176.000 -0.044 0.000 0.981 308 Q CA 1.114 56.893 55.803 -0.041 0.000 0.856 308 Q CB -0.118 28.602 28.738 -0.031 0.000 0.902 308 Q HN 0.646 nan 8.270 nan 0.000 0.425 309 L N 1.978 123.187 121.223 -0.023 0.000 2.334 309 L HA 0.227 4.567 4.340 -0.000 0.000 0.276 309 L C 0.818 177.698 176.870 0.017 0.000 1.014 309 L CA -0.479 54.345 54.840 -0.026 0.000 0.815 309 L CB 1.618 43.645 42.059 -0.053 0.000 1.268 309 L HN 0.072 nan 8.230 nan 0.000 0.428 310 Q N 0.560 120.392 119.800 0.052 0.000 2.140 310 Q HA 0.182 4.522 4.340 -0.000 0.000 0.227 310 Q C -0.053 175.987 176.000 0.067 0.000 0.798 310 Q CA -0.095 55.764 55.803 0.093 0.000 0.987 310 Q CB 1.206 30.077 28.738 0.221 0.000 1.161 310 Q HN 0.691 nan 8.270 nan 0.000 0.480 311 T N -1.438 113.144 114.554 0.047 0.000 2.900 311 T HA 0.677 5.027 4.350 -0.000 0.000 0.303 311 T C -1.207 173.518 174.700 0.042 0.000 1.142 311 T CA -0.850 61.290 62.100 0.068 0.000 1.007 311 T CB 2.061 71.043 68.868 0.191 0.000 1.156 311 T HN 0.083 nan 8.240 nan 0.000 0.490 312 L N 1.903 123.145 121.223 0.032 0.000 2.325 312 L HA 0.840 5.180 4.340 -0.000 0.000 0.281 312 L C 0.105 177.008 176.870 0.054 0.000 1.004 312 L CA 0.079 54.929 54.840 0.016 0.000 0.823 312 L CB 1.206 43.245 42.059 -0.034 0.000 1.236 312 L HN 1.149 nan 8.230 nan 0.000 0.415 313 G N 1.417 110.274 108.800 0.095 0.000 2.568 313 G HA2 0.462 4.422 3.960 -0.000 0.000 0.313 313 G HA3 0.462 4.422 3.960 -0.000 0.000 0.313 313 G C 0.248 175.177 174.900 0.049 0.000 1.227 313 G CA 0.124 45.300 45.100 0.127 0.000 0.979 313 G HN 0.709 nan 8.290 nan 0.000 0.486 314 S N -0.892 114.818 115.700 0.016 0.000 2.427 314 S HA 0.059 4.529 4.470 -0.000 0.000 0.224 314 S C 0.962 175.448 174.600 -0.190 0.000 1.047 314 S CA 1.293 59.453 58.200 -0.067 0.000 0.953 314 S CB -0.027 63.146 63.200 -0.044 0.000 0.824 314 S HN 0.833 nan 8.310 nan 0.000 0.502 315 D N 0.623 120.853 120.400 -0.283 0.000 2.835 315 D HA -0.160 4.480 4.640 -0.000 0.000 0.230 315 D C -0.246 175.963 176.300 -0.152 0.000 1.130 315 D CA 0.857 54.527 54.000 -0.550 0.000 0.738 315 D CB -1.773 38.679 40.800 -0.580 0.000 1.090 315 D HN 0.669 nan 8.370 nan 0.000 0.433 316 Q N 0.537 120.289 119.800 -0.080 0.000 2.262 316 Q HA 0.245 4.585 4.340 -0.000 0.000 0.298 316 Q C -0.761 175.250 176.000 0.019 0.000 1.083 316 Q CA 0.432 56.201 55.803 -0.058 0.000 0.962 316 Q CB 0.516 29.215 28.738 -0.065 0.000 1.104 316 Q HN 0.389 nan 8.270 nan 0.000 0.376 317 C N 5.176 124.444 119.300 -0.053 0.000 3.238 317 C HA 0.397 4.857 4.460 -0.000 0.000 0.308 317 C C -0.613 174.144 174.990 -0.388 0.000 0.971 317 C CA 0.077 59.017 59.018 -0.130 0.000 1.207 317 C CB -0.723 27.044 27.740 0.044 0.000 1.696 317 C HN 0.951 nan 8.230 nan 0.000 0.609 318 S N 1.986 117.424 115.700 -0.436 0.000 2.564 318 S HA 0.792 5.262 4.470 -0.000 0.000 0.278 318 S C -0.915 173.290 174.600 -0.658 0.000 1.333 318 S CA 0.076 58.030 58.200 -0.409 0.000 1.048 318 S CB 0.637 63.678 63.200 -0.264 0.000 0.900 318 S HN 0.522 nan 8.310 nan 0.000 0.505 319 F N 0.099 120.120 119.950 0.118 0.000 2.607 319 F HA 0.301 4.828 4.527 -0.000 0.000 0.322 319 F C -0.224 175.729 175.800 0.256 0.000 1.176 319 F CA -1.175 56.918 58.000 0.156 0.000 0.977 319 F CB 1.434 40.527 39.000 0.156 0.000 1.242 319 F HN 0.497 nan 8.300 nan 0.000 0.465 320 D N 2.940 123.569 120.400 0.381 0.000 2.487 320 D HA -0.081 4.559 4.640 -0.000 0.000 0.243 320 D C 1.129 177.653 176.300 0.372 0.000 1.154 320 D CA 0.405 54.616 54.000 0.353 0.000 0.876 320 D CB 0.550 41.481 40.800 0.218 0.000 1.161 320 D HN 0.491 nan 8.370 nan 0.000 0.478 321 F N 4.422 124.517 119.950 0.241 0.000 2.202 321 F HA -0.200 4.326 4.527 -0.000 0.000 0.301 321 F C 1.668 177.511 175.800 0.072 0.000 1.082 321 F CA 1.395 59.401 58.000 0.009 0.000 1.313 321 F CB 0.098 38.955 39.000 -0.239 0.000 1.024 321 F HN 0.237 nan 8.300 nan 0.000 0.495 322 K N 0.011 120.411 120.400 0.000 0.000 1.983 322 K HA -0.088 4.232 4.320 -0.000 0.000 0.225 322 K C 2.354 178.881 176.600 -0.121 0.000 1.030 322 K CA 1.407 57.624 56.287 -0.115 0.000 1.027 322 K CB -1.364 31.144 32.500 0.014 0.000 0.757 322 K HN 0.330 nan 8.250 nan 0.000 0.444 323 G N 0.606 109.391 108.800 -0.026 0.000 2.434 323 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.214 323 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.214 323 G C 1.485 176.372 174.900 -0.021 0.000 1.202 323 G CA 0.784 45.868 45.100 -0.028 0.000 0.788 323 G HN 0.293 nan 8.290 nan 0.000 0.539 324 Q N 0.159 119.984 119.800 0.041 0.000 1.921 324 Q HA -0.043 4.297 4.340 -0.000 0.000 0.208 324 Q C 2.724 178.715 176.000 -0.016 0.000 0.994 324 Q CA 1.560 57.382 55.803 0.031 0.000 0.857 324 Q CB -0.137 28.707 28.738 0.177 0.000 0.925 324 Q HN 0.097 nan 8.270 nan 0.000 0.421 325 K N 0.886 121.324 120.400 0.063 0.000 2.127 325 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 325 K C 1.759 178.471 176.600 0.186 0.000 1.047 325 K CA 1.440 57.785 56.287 0.098 0.000 0.927 325 K CB -0.280 32.346 32.500 0.210 0.000 0.716 325 K HN 0.403 nan 8.250 nan 0.000 0.450 326 E N 0.597 120.830 120.200 0.055 0.000 2.409 326 E HA -0.074 4.276 4.350 -0.000 0.000 0.198 326 E C 1.893 178.430 176.600 -0.105 0.000 1.024 326 E CA 0.107 56.465 56.400 -0.070 0.000 0.861 326 E CB -0.131 29.408 29.700 -0.268 0.000 0.788 326 E HN 0.269 nan 8.360 nan 0.000 0.521 327 L N 0.032 121.221 121.223 -0.057 0.000 2.189 327 L HA -0.138 4.202 4.340 -0.000 0.000 0.214 327 L C 1.634 178.470 176.870 -0.056 0.000 1.097 327 L CA 0.927 55.722 54.840 -0.075 0.000 0.764 327 L CB -0.258 41.748 42.059 -0.087 0.000 0.900 327 L HN 0.083 nan 8.230 nan 0.000 0.436 328 G N -1.018 107.796 108.800 0.023 0.000 4.477 328 G HA2 0.217 4.177 3.960 -0.000 0.000 0.319 328 G HA3 0.217 4.177 3.960 -0.000 0.000 0.319 328 G C 0.772 175.752 174.900 0.134 0.000 1.391 328 G CA -0.491 44.650 45.100 0.068 0.000 1.261 328 G HN -0.097 nan 8.290 nan 0.000 0.556 329 R N 1.494 121.930 120.500 -0.107 0.000 2.072 329 R HA 0.007 4.347 4.340 -0.000 0.000 0.221 329 R C 2.400 178.677 176.300 -0.039 0.000 1.166 329 R CA 1.310 57.232 56.100 -0.296 0.000 0.917 329 R CB -1.011 29.063 30.300 -0.377 0.000 0.815 329 R HN 0.336 nan 8.270 nan 0.000 0.444 330 G N 0.611 109.384 108.800 -0.046 0.000 3.210 330 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.220 330 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.220 330 G C -0.476 174.445 174.900 0.035 0.000 1.200 330 G CA 0.022 45.128 45.100 0.009 0.000 0.834 330 G HN 0.186 nan 8.290 nan 0.000 0.524 331 D N -0.449 119.981 120.400 0.050 0.000 2.470 331 D HA 0.096 4.736 4.640 -0.000 0.000 0.233 331 D C 1.093 177.406 176.300 0.021 0.000 1.372 331 D CA -0.842 53.146 54.000 -0.021 0.000 0.994 331 D CB 0.456 41.195 40.800 -0.101 0.000 1.377 331 D HN 0.035 nan 8.370 nan 0.000 0.586 332 F N 1.887 121.906 119.950 0.114 0.000 2.171 332 F HA -0.093 4.434 4.527 -0.000 0.000 0.300 332 F C 2.199 178.047 175.800 0.080 0.000 1.090 332 F CA 1.459 59.532 58.000 0.121 0.000 1.293 332 F CB -1.343 37.757 39.000 0.167 0.000 1.013 332 F HN 0.291 nan 8.300 nan 0.000 0.486 333 T N -1.894 112.212 114.554 -0.747 0.000 2.996 333 T HA -0.133 4.217 4.350 -0.000 0.000 0.271 333 T C 1.358 175.964 174.700 -0.157 0.000 1.126 333 T CA 1.318 63.180 62.100 -0.396 0.000 1.103 333 T CB -0.668 67.892 68.868 -0.513 0.000 0.870 333 T HN 0.530 nan 8.240 nan 0.000 0.528 334 K N 0.077 120.399 120.400 -0.130 0.000 2.358 334 K HA 0.365 4.685 4.320 -0.000 0.000 0.197 334 K C 0.049 176.609 176.600 -0.065 0.000 1.025 334 K CA -0.195 56.039 56.287 -0.088 0.000 1.104 334 K CB 0.321 32.770 32.500 -0.085 0.000 0.855 334 K HN 0.462 nan 8.250 nan 0.000 0.531 335 I N 4.406 124.958 120.570 -0.030 0.000 2.416 335 I HA 0.075 4.245 4.170 -0.000 0.000 0.288 335 I C -2.065 173.959 176.117 -0.155 0.000 1.051 335 I CA -2.214 59.058 61.300 -0.047 0.000 1.375 335 I CB 0.597 38.583 38.000 -0.023 0.000 1.407 335 I HN -0.155 nan 8.210 nan 0.000 0.516 336 P HA 0.043 nan 4.420 nan 0.000 0.271 336 P C -0.962 176.195 177.300 -0.239 0.000 1.233 336 P CA -0.023 62.763 63.100 -0.523 0.000 0.764 336 P CB 0.235 31.114 31.700 -1.368 0.000 0.825 337 N N 1.853 120.552 118.700 -0.001 0.000 2.513 337 N HA 0.431 5.171 4.740 -0.000 0.000 0.268 337 N C 0.442 176.238 175.510 0.477 0.000 1.180 337 N CA 0.173 53.350 53.050 0.210 0.000 0.948 337 N CB 0.401 39.036 38.487 0.246 0.000 1.083 337 N HN 0.637 nan 8.380 nan 0.000 0.455 338 G N -0.060 109.062 108.800 0.538 0.000 2.306 338 G HA2 0.344 4.304 3.960 -0.000 0.000 0.340 338 G HA3 0.344 4.304 3.960 -0.000 0.000 0.340 338 G C -1.073 174.140 174.900 0.521 0.000 1.630 338 G CA -0.764 44.628 45.100 0.487 0.000 0.937 338 G HN 0.727 nan 8.290 nan 0.000 0.693 339 G N 0.536 109.516 108.800 0.300 0.000 2.519 339 G HA2 0.870 4.830 3.960 -0.000 0.000 0.307 339 G HA3 0.870 4.830 3.960 -0.000 0.000 0.307 339 G C -2.782 172.066 174.900 -0.087 0.000 1.266 339 G CA -1.483 43.747 45.100 0.217 0.000 0.970 339 G HN 0.546 nan 8.290 nan 0.000 0.481 340 P HA 0.289 nan 4.420 nan 0.000 0.266 340 P C 0.062 177.256 177.300 -0.177 0.000 1.586 340 P CA -0.108 62.844 63.100 -0.245 0.000 1.088 340 P CB 0.543 32.005 31.700 -0.397 0.000 1.584 341 I N 2.498 122.994 120.570 -0.124 0.000 4.592 341 I HA 0.107 4.277 4.170 -0.000 0.000 0.329 341 I C 2.184 178.304 176.117 0.005 0.000 1.309 341 I CA -0.184 61.106 61.300 -0.017 0.000 1.243 341 I CB 0.238 38.187 38.000 -0.086 0.000 1.241 341 I HN 0.128 nan 8.210 nan 0.000 0.434 342 I N 1.726 122.269 120.570 -0.044 0.000 2.623 342 I HA -0.318 3.852 4.170 -0.000 0.000 0.261 342 I C 2.181 178.304 176.117 0.009 0.000 1.204 342 I CA 1.753 63.036 61.300 -0.028 0.000 1.444 342 I CB 0.176 38.141 38.000 -0.059 0.000 1.094 342 I HN 0.354 nan 8.210 nan 0.000 0.451 343 E N 0.029 120.247 120.200 0.030 0.000 2.166 343 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 343 E C 0.903 177.576 176.600 0.122 0.000 0.967 343 E CA 0.603 57.051 56.400 0.080 0.000 0.840 343 E CB 0.240 29.991 29.700 0.084 0.000 0.795 343 E HN 0.516 nan 8.360 nan 0.000 0.470 344 D N 0.352 120.831 120.400 0.132 0.000 2.349 344 D HA -0.007 4.633 4.640 -0.000 0.000 0.214 344 D C 1.538 177.862 176.300 0.041 0.000 1.063 344 D CA -0.092 53.975 54.000 0.112 0.000 0.847 344 D CB 0.191 41.067 40.800 0.126 0.000 0.933 344 D HN 0.124 nan 8.370 nan 0.000 0.513 345 R N 1.315 121.843 120.500 0.047 0.000 2.132 345 R HA -0.179 4.161 4.340 -0.000 0.000 0.233 345 R C 1.953 178.284 176.300 0.051 0.000 1.125 345 R CA 1.773 57.884 56.100 0.018 0.000 0.914 345 R CB -0.456 29.853 30.300 0.014 0.000 0.845 345 R HN -0.077 nan 8.270 nan 0.000 0.431 346 V N 0.756 120.717 119.914 0.078 0.000 2.231 346 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 346 V C 2.465 178.719 176.094 0.267 0.000 1.054 346 V CA 2.320 64.702 62.300 0.136 0.000 1.015 346 V CB -0.756 31.120 31.823 0.088 0.000 0.638 346 V HN 0.469 nan 8.190 nan 0.000 0.444 347 S N 0.061 115.912 115.700 0.252 0.000 2.368 347 S HA -0.227 4.243 4.470 -0.000 0.000 0.226 347 S C 1.883 176.652 174.600 0.282 0.000 1.044 347 S CA 2.162 60.566 58.200 0.340 0.000 1.062 347 S CB -0.531 62.851 63.200 0.304 0.000 0.931 347 S HN 0.516 nan 8.310 nan 0.000 0.440 348 I N 0.768 121.416 120.570 0.130 0.000 2.208 348 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 348 I C 2.355 178.568 176.117 0.159 0.000 1.097 348 I CA 0.993 62.323 61.300 0.051 0.000 1.363 348 I CB -0.356 37.537 38.000 -0.178 0.000 1.051 348 I HN 0.220 nan 8.210 nan 0.000 0.413 349 L N 0.253 121.608 121.223 0.221 0.000 2.056 349 L HA -0.220 4.120 4.340 -0.000 0.000 0.207 349 L C 2.310 179.349 176.870 0.281 0.000 1.078 349 L CA 1.656 56.688 54.840 0.320 0.000 0.749 349 L CB -0.632 41.631 42.059 0.339 0.000 0.901 349 L HN 0.144 nan 8.230 nan 0.000 0.433 350 F N -0.799 119.169 119.950 0.031 0.000 2.075 350 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 350 F C 2.747 178.486 175.800 -0.100 0.000 1.113 350 F CA 1.858 59.615 58.000 -0.405 0.000 1.218 350 F CB -0.749 37.905 39.000 -0.577 0.000 0.984 350 F HN 0.201 nan 8.300 nan 0.000 0.472 351 S N -0.068 115.666 115.700 0.056 0.000 2.349 351 S HA -0.187 4.283 4.470 -0.000 0.000 0.216 351 S C 2.065 176.612 174.600 -0.089 0.000 1.033 351 S CA 1.523 59.718 58.200 -0.008 0.000 1.021 351 S CB -0.561 62.727 63.200 0.146 0.000 0.968 351 S HN 0.443 nan 8.310 nan 0.000 0.426 352 E N 0.558 120.771 120.200 0.022 0.000 2.153 352 E HA 0.006 4.356 4.350 -0.000 0.000 0.194 352 E C 1.839 178.316 176.600 -0.205 0.000 0.988 352 E CA 1.068 57.467 56.400 -0.002 0.000 0.811 352 E CB -0.917 28.930 29.700 0.244 0.000 0.746 352 E HN 0.608 nan 8.360 nan 0.000 0.466 353 G N 0.450 109.250 108.800 -0.000 0.000 2.682 353 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.221 353 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.221 353 G C 1.687 176.466 174.900 -0.201 0.000 1.386 353 G CA 0.562 45.624 45.100 -0.063 0.000 0.909 353 G HN 0.113 nan 8.290 nan 0.000 0.558 354 V N 1.487 121.261 119.914 -0.234 0.000 2.220 354 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 354 V C 2.856 178.711 176.094 -0.398 0.000 1.053 354 V CA 2.345 64.425 62.300 -0.366 0.000 1.019 354 V CB -0.517 30.889 31.823 -0.695 0.000 0.646 354 V HN 0.213 nan 8.190 nan 0.000 0.455 355 K N 0.015 120.061 120.400 -0.590 0.000 2.293 355 K HA -0.189 4.131 4.320 -0.000 0.000 0.204 355 K C 1.789 178.251 176.600 -0.230 0.000 1.045 355 K CA 1.457 57.512 56.287 -0.387 0.000 0.933 355 K CB -0.316 31.959 32.500 -0.375 0.000 0.736 355 K HN 0.535 nan 8.250 nan 0.000 0.463 356 K N -1.168 119.084 120.400 -0.246 0.000 2.373 356 K HA 0.099 4.419 4.320 -0.000 0.000 0.202 356 K C 0.896 177.371 176.600 -0.207 0.000 1.025 356 K CA 0.485 56.644 56.287 -0.213 0.000 1.115 356 K CB 1.009 33.359 32.500 -0.250 0.000 0.858 356 K HN 0.271 nan 8.250 nan 0.000 0.525 357 G N 1.787 110.474 108.800 -0.189 0.000 2.259 357 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 357 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 357 G C 0.036 174.851 174.900 -0.142 0.000 1.001 357 G CA -0.494 44.519 45.100 -0.144 0.000 0.627 357 G HN 0.222 nan 8.290 nan 0.000 0.501 358 R N 0.264 120.631 120.500 -0.221 0.000 2.528 358 R HA 0.770 5.110 4.340 -0.000 0.000 0.271 358 R C 1.253 177.537 176.300 -0.026 0.000 1.056 358 R CA 0.009 56.018 56.100 -0.151 0.000 1.117 358 R CB 0.594 30.665 30.300 -0.381 0.000 1.085 358 R HN 0.565 nan 8.270 nan 0.000 0.530 359 I N -1.046 119.576 120.570 0.086 0.000 9.119 359 I HA -0.373 3.797 4.170 -0.000 0.000 0.126 359 I C -0.360 175.788 176.117 0.052 0.000 1.830 359 I CA 0.886 62.254 61.300 0.113 0.000 2.091 359 I CB -0.662 37.453 38.000 0.191 0.000 3.893 359 I HN 0.677 nan 8.210 nan 0.000 0.185 360 T N 2.218 116.816 114.554 0.073 0.000 2.916 360 T HA 0.435 4.785 4.350 -0.000 0.000 0.292 360 T C 0.405 175.154 174.700 0.083 0.000 1.064 360 T CA -0.588 61.544 62.100 0.054 0.000 1.011 360 T CB 1.969 70.871 68.868 0.057 0.000 1.152 360 T HN 0.526 nan 8.240 nan 0.000 0.510 361 L N 1.919 123.179 121.223 0.062 0.000 2.127 361 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 361 L C 1.868 178.828 176.870 0.150 0.000 1.089 361 L CA 1.890 56.780 54.840 0.084 0.000 0.757 361 L CB -0.645 41.435 42.059 0.034 0.000 0.899 361 L HN 0.516 nan 8.230 nan 0.000 0.434 362 N N -1.128 117.637 118.700 0.109 0.000 2.207 362 N HA -0.130 4.610 4.740 -0.000 0.000 0.182 362 N C 1.718 177.269 175.510 0.068 0.000 1.020 362 N CA 1.051 54.156 53.050 0.091 0.000 0.858 362 N CB -0.134 38.398 38.487 0.076 0.000 0.991 362 N HN 0.536 nan 8.380 nan 0.000 0.427 363 Q N 0.275 120.123 119.800 0.079 0.000 2.096 363 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 363 Q C 1.874 177.908 176.000 0.056 0.000 0.982 363 Q CA 1.141 56.983 55.803 0.065 0.000 0.850 363 Q CB -0.303 28.486 28.738 0.085 0.000 0.901 363 Q HN 0.307 nan 8.270 nan 0.000 0.422 364 F N 1.180 121.100 119.950 -0.050 0.000 2.043 364 F HA -0.277 4.250 4.527 -0.000 0.000 0.297 364 F C 2.065 177.763 175.800 -0.171 0.000 1.121 364 F CA 1.563 59.502 58.000 -0.101 0.000 1.199 364 F CB -0.634 38.287 39.000 -0.131 0.000 0.968 364 F HN -0.199 nan 8.300 nan 0.000 0.478 365 V N 0.575 120.241 119.914 -0.412 0.000 2.392 365 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 365 V C 2.097 178.002 176.094 -0.315 0.000 1.059 365 V CA 2.274 64.272 62.300 -0.504 0.000 1.051 365 V CB -0.931 30.787 31.823 -0.175 0.000 0.658 365 V HN 0.445 nan 8.190 nan 0.000 0.455 366 D N 0.195 120.491 120.400 -0.173 0.000 2.084 366 D HA -0.124 4.515 4.640 -0.000 0.000 0.196 366 D C 1.940 178.164 176.300 -0.127 0.000 0.985 366 D CA 1.372 55.307 54.000 -0.108 0.000 0.826 366 D CB -0.173 40.599 40.800 -0.047 0.000 0.978 366 D HN 0.419 nan 8.370 nan 0.000 0.456 367 I N -0.222 120.268 120.570 -0.135 0.000 2.454 367 I HA -0.173 3.997 4.170 -0.000 0.000 0.254 367 I C 1.671 177.696 176.117 -0.152 0.000 1.156 367 I CA 0.539 61.776 61.300 -0.105 0.000 1.433 367 I CB 0.080 38.042 38.000 -0.062 0.000 1.082 367 I HN 0.034 nan 8.210 nan 0.000 0.432 368 V N -1.664 118.067 119.914 -0.304 0.000 3.621 368 V HA 0.059 4.179 4.120 -0.000 0.000 0.263 368 V C 1.595 177.547 176.094 -0.236 0.000 1.272 368 V CA 0.892 63.004 62.300 -0.313 0.000 1.080 368 V CB 0.713 32.191 31.823 -0.575 0.000 0.816 368 V HN 0.355 nan 8.190 nan 0.000 0.451 369 S N -1.000 114.572 115.700 -0.214 0.000 4.207 369 S HA -0.012 4.458 4.470 -0.000 0.000 0.177 369 S C 1.882 176.457 174.600 -0.041 0.000 0.981 369 S CA 0.924 59.051 58.200 -0.121 0.000 1.097 369 S CB 0.105 63.221 63.200 -0.140 0.000 1.525 369 S HN 0.382 nan 8.310 nan 0.000 0.686 370 T N 2.962 117.499 114.554 -0.027 0.000 2.544 370 T HA -0.184 4.166 4.350 -0.000 0.000 0.264 370 T C 1.881 176.557 174.700 -0.041 0.000 1.096 370 T CA 2.121 64.238 62.100 0.028 0.000 1.181 370 T CB -0.621 68.253 68.868 0.011 0.000 0.864 370 T HN 0.314 nan 8.240 nan 0.000 0.415 371 R N 0.959 121.410 120.500 -0.081 0.000 2.140 371 R HA -0.084 4.256 4.340 -0.000 0.000 0.250 371 R C 2.269 178.508 176.300 -0.102 0.000 1.150 371 R CA 1.533 57.565 56.100 -0.113 0.000 0.966 371 R CB -0.986 29.277 30.300 -0.062 0.000 0.869 371 R HN 0.568 nan 8.270 nan 0.000 0.445 372 I N -0.456 120.112 120.570 -0.002 0.000 2.163 372 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 372 I C 2.332 178.528 176.117 0.131 0.000 1.081 372 I CA 1.285 62.659 61.300 0.123 0.000 1.353 372 I CB -0.538 37.539 38.000 0.128 0.000 1.054 372 I HN 0.304 nan 8.210 nan 0.000 0.407 373 A N 1.029 123.897 122.820 0.080 0.000 1.917 373 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 373 A C 2.325 179.953 177.584 0.073 0.000 1.182 373 A CA 1.827 53.928 52.037 0.107 0.000 0.633 373 A CB -0.501 18.607 19.000 0.181 0.000 0.819 373 A HN 0.352 nan 8.150 nan 0.000 0.448 374 K N -0.515 119.858 120.400 -0.045 0.000 1.984 374 K HA -0.016 4.304 4.320 -0.000 0.000 0.209 374 K C 1.935 178.365 176.600 -0.284 0.000 1.046 374 K CA 1.366 57.535 56.287 -0.197 0.000 0.934 374 K CB -0.525 31.751 32.500 -0.374 0.000 0.717 374 K HN 0.465 nan 8.250 nan 0.000 0.438 375 L N 0.032 121.005 121.223 -0.416 0.000 2.187 375 L HA -0.159 4.181 4.340 -0.000 0.000 0.213 375 L C 1.396 177.839 176.870 -0.713 0.000 1.100 375 L CA 1.210 55.642 54.840 -0.679 0.000 0.765 375 L CB -0.193 41.301 42.059 -0.941 0.000 0.904 375 L HN 0.104 nan 8.230 nan 0.000 0.437 376 F N -0.476 119.385 119.950 -0.148 0.000 2.684 376 F HA 0.330 4.857 4.527 -0.000 0.000 0.298 376 F C 1.439 177.182 175.800 -0.095 0.000 1.120 376 F CA -0.111 57.817 58.000 -0.120 0.000 1.332 376 F CB -0.059 38.846 39.000 -0.159 0.000 0.986 376 F HN 0.033 nan 8.300 nan 0.000 0.524 377 G N 1.351 110.154 108.800 0.004 0.000 2.350 377 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.298 377 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.298 377 G C 0.424 175.322 174.900 -0.004 0.000 1.037 377 G CA 0.455 45.554 45.100 -0.002 0.000 1.074 377 G HN 0.531 nan 8.290 nan 0.000 0.511 378 L N -1.623 119.613 121.223 0.023 0.000 3.086 378 L HA 0.431 4.771 4.340 -0.000 0.000 0.274 378 L C 0.818 177.693 176.870 0.008 0.000 1.184 378 L CA -0.544 54.286 54.840 -0.017 0.000 1.002 378 L CB 0.373 42.410 42.059 -0.036 0.000 1.383 378 L HN 0.311 nan 8.230 nan 0.000 0.582 379 F N 3.475 123.376 119.950 -0.081 0.000 2.396 379 F HA 0.383 4.910 4.527 -0.000 0.000 0.343 379 F C -1.472 174.286 175.800 -0.071 0.000 1.104 379 F CA -1.769 56.186 58.000 -0.075 0.000 1.161 379 F CB 1.140 40.092 39.000 -0.081 0.000 1.146 379 F HN -0.162 nan 8.300 nan 0.000 0.522 380 P HA 0.087 nan 4.420 nan 0.000 0.259 380 P C 0.450 177.412 177.300 -0.564 0.000 1.530 380 P CA 0.102 62.469 63.100 -1.221 0.000 1.022 380 P CB 0.264 31.251 31.700 -1.188 0.000 1.514 381 K N 0.715 120.926 120.400 -0.315 0.000 2.057 381 K HA -0.060 4.260 4.320 -0.000 0.000 0.206 381 K C 0.623 177.105 176.600 -0.197 0.000 1.050 381 K CA 1.020 57.180 56.287 -0.212 0.000 0.935 381 K CB 0.209 32.614 32.500 -0.158 0.000 0.715 381 K HN -0.004 nan 8.250 nan 0.000 0.439 382 K N -1.796 118.494 120.400 -0.184 0.000 2.346 382 K HA 0.303 4.623 4.320 -0.000 0.000 0.238 382 K C 0.373 176.919 176.600 -0.090 0.000 1.039 382 K CA -0.092 56.122 56.287 -0.122 0.000 0.861 382 K CB 1.410 33.859 32.500 -0.085 0.000 1.278 382 K HN 0.244 nan 8.250 nan 0.000 0.460 383 G N -0.124 108.665 108.800 -0.019 0.000 2.176 383 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.253 383 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.253 383 G C 0.200 175.168 174.900 0.113 0.000 0.979 383 G CA 0.933 46.081 45.100 0.080 0.000 0.641 383 G HN 0.733 nan 8.290 nan 0.000 0.530 384 T N -0.929 113.630 114.554 0.008 0.000 2.786 384 T HA 0.567 4.917 4.350 -0.000 0.000 0.316 384 T C -1.255 173.446 174.700 0.002 0.000 1.503 384 T CA -0.461 61.667 62.100 0.045 0.000 1.019 384 T CB 1.170 70.097 68.868 0.099 0.000 1.415 384 T HN 0.568 nan 8.240 nan 0.000 0.496 385 I N 3.454 124.056 120.570 0.053 0.000 2.442 385 I HA 0.539 4.709 4.170 -0.000 0.000 0.279 385 I C -0.883 175.273 176.117 0.065 0.000 1.081 385 I CA -0.466 60.863 61.300 0.049 0.000 1.197 385 I CB 0.768 38.813 38.000 0.075 0.000 1.394 385 I HN 0.253 nan 8.210 nan 0.000 0.488 386 V N 4.604 124.525 119.914 0.012 0.000 3.120 386 V HA 0.264 4.384 4.120 -0.000 0.000 0.303 386 V C 0.077 176.160 176.094 -0.018 0.000 1.238 386 V CA -0.994 61.314 62.300 0.014 0.000 1.008 386 V CB 2.321 34.145 31.823 0.001 0.000 1.064 386 V HN 0.137 nan 8.190 nan 0.000 0.434 387 V N 3.137 123.049 119.914 -0.004 0.000 2.583 387 V HA 0.338 4.458 4.120 -0.000 0.000 0.302 387 V C 1.541 177.612 176.094 -0.039 0.000 1.033 387 V CA 2.184 64.475 62.300 -0.015 0.000 1.194 387 V CB -0.350 31.468 31.823 -0.007 0.000 0.879 387 V HN 1.559 nan 8.190 nan 0.000 0.482 388 G N 3.808 112.580 108.800 -0.047 0.000 2.313 388 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.215 388 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.215 388 G C 0.398 175.244 174.900 -0.091 0.000 1.023 388 G CA 0.057 45.118 45.100 -0.064 0.000 0.626 388 G HN 0.771 nan 8.290 nan 0.000 0.503 389 S N 1.736 117.369 115.700 -0.111 0.000 2.593 389 S HA 0.474 4.943 4.470 -0.000 0.000 0.269 389 S C -0.013 174.524 174.600 -0.104 0.000 1.334 389 S CA -0.359 57.754 58.200 -0.144 0.000 1.015 389 S CB 0.936 64.031 63.200 -0.175 0.000 0.912 389 S HN 0.384 nan 8.310 nan 0.000 0.541 390 D N 1.375 121.709 120.400 -0.110 0.000 2.423 390 D HA 0.248 4.888 4.640 -0.000 0.000 0.238 390 D C 0.251 176.511 176.300 -0.066 0.000 1.142 390 D CA 0.143 54.094 54.000 -0.082 0.000 0.884 390 D CB 0.365 41.113 40.800 -0.087 0.000 1.199 390 D HN 0.588 nan 8.370 nan 0.000 0.438 391 A N 2.160 124.948 122.820 -0.052 0.000 2.958 391 A HA 0.063 4.383 4.320 -0.000 0.000 0.247 391 A C -0.304 177.244 177.584 -0.060 0.000 1.679 391 A CA -0.281 51.722 52.037 -0.055 0.000 1.345 391 A CB -0.528 18.437 19.000 -0.058 0.000 1.013 391 A HN 0.278 nan 8.150 nan 0.000 0.641 392 D N 0.994 121.364 120.400 -0.050 0.000 2.468 392 D HA 0.487 5.127 4.640 -0.000 0.000 0.218 392 D C -0.120 176.160 176.300 -0.033 0.000 1.155 392 D CA 0.496 54.473 54.000 -0.039 0.000 0.924 392 D CB 0.452 41.231 40.800 -0.034 0.000 1.029 392 D HN 0.411 nan 8.370 nan 0.000 0.515 393 L N 0.938 122.129 121.223 -0.053 0.000 2.301 393 L HA 0.727 5.067 4.340 -0.000 0.000 0.264 393 L C -0.480 176.381 176.870 -0.016 0.000 1.016 393 L CA -1.287 53.533 54.840 -0.034 0.000 0.821 393 L CB 2.007 44.022 42.059 -0.074 0.000 1.346 393 L HN -0.107 nan 8.230 nan 0.000 0.429 394 V N 2.145 122.082 119.914 0.039 0.000 2.524 394 V HA 0.385 4.505 4.120 -0.000 0.000 0.297 394 V C -0.316 175.815 176.094 0.061 0.000 1.035 394 V CA -0.278 62.075 62.300 0.088 0.000 0.867 394 V CB 1.991 33.937 31.823 0.204 0.000 1.004 394 V HN 0.482 nan 8.190 nan 0.000 0.426 395 I N 5.525 126.125 120.570 0.051 0.000 2.291 395 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 395 I C -0.611 175.559 176.117 0.088 0.000 1.064 395 I CA -0.017 61.295 61.300 0.021 0.000 1.269 395 I CB 0.416 38.425 38.000 0.015 0.000 1.418 395 I HN 0.450 nan 8.210 nan 0.000 0.485 396 F N 5.949 125.801 119.950 -0.164 0.000 2.450 396 F HA 0.349 4.876 4.527 -0.000 0.000 0.332 396 F C 0.169 175.872 175.800 -0.162 0.000 1.093 396 F CA -0.595 57.321 58.000 -0.139 0.000 1.003 396 F CB 1.185 40.080 39.000 -0.176 0.000 1.151 396 F HN 0.348 nan 8.300 nan 0.000 0.474 397 D N 7.309 127.337 120.400 -0.620 0.000 2.427 397 D HA 0.257 4.897 4.640 -0.000 0.000 0.226 397 D C -2.028 173.931 176.300 -0.568 0.000 1.076 397 D CA -2.168 51.562 54.000 -0.450 0.000 0.849 397 D CB 2.047 42.651 40.800 -0.326 0.000 1.052 397 D HN 0.269 nan 8.370 nan 0.000 0.515 398 P HA 0.010 nan 4.420 nan 0.000 0.241 398 P C 0.322 177.724 177.300 0.170 0.000 1.191 398 P CA 0.373 63.536 63.100 0.105 0.000 0.771 398 P CB 0.738 32.651 31.700 0.353 0.000 0.929 399 N N -0.216 118.487 118.700 0.004 0.000 2.397 399 N HA 0.117 4.857 4.740 -0.000 0.000 0.190 399 N C 0.979 176.492 175.510 0.005 0.000 1.099 399 N CA -0.146 52.921 53.050 0.028 0.000 0.876 399 N CB 0.225 38.710 38.487 -0.003 0.000 1.143 399 N HN 0.180 nan 8.380 nan 0.000 0.468 400 I N 2.829 123.370 120.570 -0.049 0.000 2.943 400 I HA -0.133 4.037 4.170 -0.000 0.000 0.296 400 I C 0.386 176.503 176.117 0.000 0.000 1.220 400 I CA 0.887 62.163 61.300 -0.040 0.000 1.409 400 I CB 0.023 37.974 38.000 -0.082 0.000 1.374 400 I HN -0.087 nan 8.210 nan 0.000 0.545 401 E N 8.002 128.212 120.200 0.017 0.000 2.266 401 E HA 0.585 4.935 4.350 -0.000 0.000 0.277 401 E C -0.313 176.308 176.600 0.036 0.000 1.018 401 E CA -0.694 55.728 56.400 0.036 0.000 0.840 401 E CB 1.491 31.212 29.700 0.034 0.000 1.082 401 E HN 0.571 nan 8.360 nan 0.000 0.395 402 R N -0.481 120.049 120.500 0.051 0.000 2.829 402 R HA 0.647 4.987 4.340 -0.000 0.000 0.267 402 R C -1.581 174.758 176.300 0.066 0.000 1.051 402 R CA -0.866 55.266 56.100 0.053 0.000 0.927 402 R CB 0.842 31.175 30.300 0.055 0.000 1.292 402 R HN 0.234 nan 8.270 nan 0.000 0.445 403 V N 1.657 121.611 119.914 0.067 0.000 2.577 403 V HA 0.395 4.515 4.120 -0.000 0.000 0.303 403 V C 0.050 176.199 176.094 0.091 0.000 1.042 403 V CA -0.818 61.530 62.300 0.079 0.000 0.872 403 V CB 1.753 33.616 31.823 0.066 0.000 0.998 403 V HN 0.537 nan 8.190 nan 0.000 0.423 404 I N 3.917 124.561 120.570 0.123 0.000 2.598 404 I HA 0.314 4.484 4.170 -0.000 0.000 0.284 404 I C 0.524 176.715 176.117 0.122 0.000 1.140 404 I CA 0.928 62.317 61.300 0.149 0.000 1.420 404 I CB 0.969 39.102 38.000 0.221 0.000 1.387 404 I HN 0.678 nan 8.210 nan 0.000 0.553 405 S N 4.247 119.988 115.700 0.069 0.000 2.546 405 S HA 0.568 5.038 4.470 -0.000 0.000 0.272 405 S C 0.524 175.035 174.600 -0.148 0.000 1.140 405 S CA -0.212 57.986 58.200 -0.004 0.000 0.920 405 S CB 1.794 64.986 63.200 -0.014 0.000 1.083 405 S HN 0.684 nan 8.310 nan 0.000 0.476 406 A N 2.707 125.365 122.820 -0.271 0.000 2.125 406 A HA 0.007 4.327 4.320 -0.000 0.000 0.219 406 A C 1.615 178.855 177.584 -0.573 0.000 1.156 406 A CA 1.856 53.422 52.037 -0.786 0.000 0.671 406 A CB -0.693 18.030 19.000 -0.462 0.000 0.794 406 A HN 0.871 nan 8.150 nan 0.000 0.459 407 E N -0.677 119.366 120.200 -0.262 0.000 2.409 407 E HA -0.060 4.290 4.350 -0.000 0.000 0.198 407 E C 1.406 177.902 176.600 -0.172 0.000 1.024 407 E CA 1.634 57.934 56.400 -0.167 0.000 0.861 407 E CB -0.008 29.639 29.700 -0.088 0.000 0.788 407 E HN 0.562 nan 8.360 nan 0.000 0.521 408 T N -1.689 112.749 114.554 -0.193 0.000 2.989 408 T HA 0.059 4.409 4.350 -0.000 0.000 0.250 408 T C 0.327 174.880 174.700 -0.244 0.000 0.981 408 T CA 0.035 62.026 62.100 -0.183 0.000 0.980 408 T CB -0.296 68.526 68.868 -0.077 0.000 1.133 408 T HN 0.439 nan 8.240 nan 0.000 0.489 409 H N 1.197 120.169 119.070 -0.163 0.000 2.913 409 H HA 0.080 4.636 4.556 -0.000 0.000 0.365 409 H C -0.078 175.077 175.328 -0.289 0.000 1.155 409 H CA -0.032 55.951 56.048 -0.108 0.000 1.417 409 H CB 0.391 30.150 29.762 -0.005 0.000 1.386 409 H HN 0.178 nan 8.280 nan 0.000 0.614 410 H N 1.432 120.469 119.070 -0.055 0.000 2.487 410 H HA 0.258 4.814 4.556 -0.000 0.000 0.290 410 H C -0.091 175.119 175.328 -0.196 0.000 1.081 410 H CA -0.330 55.612 56.048 -0.177 0.000 1.116 410 H CB -0.116 29.408 29.762 -0.398 0.000 1.560 410 H HN 0.469 nan 8.280 nan 0.000 0.548 411 M N -0.103 119.306 119.600 -0.318 0.000 2.314 411 M HA 0.386 4.866 4.480 -0.000 0.000 0.342 411 M C 1.073 177.220 176.300 -0.255 0.000 1.171 411 M CA -0.602 54.468 55.300 -0.384 0.000 1.098 411 M CB 1.542 33.769 32.600 -0.623 0.000 1.559 411 M HN 0.208 nan 8.290 nan 0.000 0.459 412 A N 2.066 124.802 122.820 -0.140 0.000 2.258 412 A HA 0.261 4.581 4.320 -0.000 0.000 0.206 412 A C 0.424 178.007 177.584 -0.002 0.000 1.222 412 A CA -0.125 51.885 52.037 -0.045 0.000 0.822 412 A CB -1.059 17.919 19.000 -0.037 0.000 0.804 412 A HN 0.621 nan 8.150 nan 0.000 0.483 413 V N -1.110 118.783 119.914 -0.035 0.000 2.686 413 V HA 0.278 4.398 4.120 -0.000 0.000 0.295 413 V C 0.742 176.951 176.094 0.191 0.000 1.057 413 V CA -0.181 62.144 62.300 0.043 0.000 1.012 413 V CB 1.083 32.838 31.823 -0.112 0.000 1.006 413 V HN 0.545 nan 8.190 nan 0.000 0.477 414 D N 0.420 120.958 120.400 0.229 0.000 2.363 414 D HA 0.078 4.718 4.640 -0.000 0.000 0.226 414 D C 0.100 176.578 176.300 0.297 0.000 1.020 414 D CA 0.483 54.628 54.000 0.242 0.000 0.892 414 D CB -0.325 40.621 40.800 0.245 0.000 0.900 414 D HN 0.788 nan 8.370 nan 0.000 0.531 415 Y N -2.357 118.033 120.300 0.151 0.000 2.705 415 Y HA 0.590 5.140 4.550 -0.000 0.000 0.332 415 Y C -1.894 174.105 175.900 0.164 0.000 1.221 415 Y CA -1.781 56.362 58.100 0.071 0.000 1.059 415 Y CB 0.890 39.341 38.460 -0.016 0.000 1.298 415 Y HN -0.168 nan 8.280 nan 0.000 0.459 416 N N 0.649 119.344 118.700 -0.009 0.000 2.430 416 N HA 0.392 5.132 4.740 -0.000 0.000 0.290 416 N C 0.074 175.592 175.510 0.013 0.000 1.063 416 N CA 0.209 53.237 53.050 -0.037 0.000 0.883 416 N CB 2.343 40.921 38.487 0.152 0.000 1.465 416 N HN 1.103 nan 8.380 nan 0.000 0.493 417 A N 2.933 125.642 122.820 -0.185 0.000 2.139 417 A HA -0.083 4.237 4.320 -0.000 0.000 0.221 417 A C 0.431 177.866 177.584 -0.248 0.000 1.159 417 A CA 1.230 53.155 52.037 -0.188 0.000 0.662 417 A CB -0.544 18.230 19.000 -0.377 0.000 0.796 417 A HN 0.546 nan 8.150 nan 0.000 0.463 418 F N -0.210 119.876 119.950 0.227 0.000 2.850 418 F HA 0.342 4.869 4.527 -0.000 0.000 0.306 418 F C 0.427 176.334 175.800 0.177 0.000 1.162 418 F CA -1.269 56.847 58.000 0.193 0.000 1.327 418 F CB -0.247 38.834 39.000 0.135 0.000 0.953 418 F HN 0.071 nan 8.300 nan 0.000 0.507 419 E N 0.901 121.267 120.200 0.276 0.000 2.480 419 E HA 0.328 4.678 4.350 -0.000 0.000 0.258 419 E C 1.418 178.132 176.600 0.191 0.000 0.984 419 E CA 1.088 57.606 56.400 0.197 0.000 0.930 419 E CB 0.274 30.067 29.700 0.155 0.000 0.936 419 E HN 0.556 nan 8.360 nan 0.000 0.466 420 G N 3.880 112.768 108.800 0.147 0.000 2.205 420 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.261 420 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.261 420 G C 0.459 175.443 174.900 0.140 0.000 0.980 420 G CA 0.316 45.491 45.100 0.124 0.000 0.632 420 G HN 0.613 nan 8.290 nan 0.000 0.533 421 M N 1.562 121.274 119.600 0.186 0.000 2.238 421 M HA 0.362 4.842 4.480 -0.000 0.000 0.350 421 M C 0.724 177.102 176.300 0.130 0.000 1.321 421 M CA 0.000 55.407 55.300 0.178 0.000 1.097 421 M CB 0.423 33.163 32.600 0.234 0.000 1.713 421 M HN 0.188 nan 8.290 nan 0.000 0.455 422 K N 4.712 125.174 120.400 0.104 0.000 2.276 422 K HA 0.463 4.783 4.320 -0.000 0.000 0.283 422 K C -1.823 174.827 176.600 0.083 0.000 1.044 422 K CA -0.465 55.872 56.287 0.084 0.000 0.944 422 K CB 0.798 33.338 32.500 0.067 0.000 1.012 422 K HN 0.629 nan 8.250 nan 0.000 0.472 423 V N 2.911 122.878 119.914 0.088 0.000 2.841 423 V HA 0.256 4.376 4.120 -0.000 0.000 0.310 423 V C -0.634 175.530 176.094 0.116 0.000 1.090 423 V CA -0.879 61.483 62.300 0.104 0.000 0.930 423 V CB 2.336 34.231 31.823 0.119 0.000 1.014 423 V HN 0.867 nan 8.190 nan 0.000 0.425 424 T N 2.913 117.556 114.554 0.148 0.000 2.795 424 T HA 0.737 5.087 4.350 -0.000 0.000 0.282 424 T C 0.144 175.036 174.700 0.320 0.000 0.980 424 T CA 0.411 62.616 62.100 0.175 0.000 1.012 424 T CB 1.216 70.172 68.868 0.147 0.000 0.936 424 T HN 1.636 nan 8.240 nan 0.000 0.457 425 G N 2.170 111.072 108.800 0.171 0.000 2.712 425 G HA2 0.146 4.106 3.960 -0.000 0.000 0.686 425 G HA3 0.146 4.106 3.960 -0.000 0.000 0.686 425 G C -0.977 173.754 174.900 -0.282 0.000 1.181 425 G CA -0.565 44.498 45.100 -0.061 0.000 0.762 425 G HN 0.887 nan 8.290 nan 0.000 0.641 426 E N 1.877 121.516 120.200 -0.934 0.000 2.378 426 E HA 0.550 4.900 4.350 -0.000 0.000 0.283 426 E C -3.049 173.195 176.600 -0.594 0.000 0.979 426 E CA -1.911 54.196 56.400 -0.488 0.000 0.795 426 E CB 2.472 32.080 29.700 -0.154 0.000 1.221 426 E HN 0.365 nan 8.360 nan 0.000 0.428 427 P HA 0.031 nan 4.420 nan 0.000 0.271 427 P C -0.064 177.282 177.300 0.077 0.000 1.220 427 P CA -0.121 63.115 63.100 0.225 0.000 0.768 427 P CB 1.166 33.063 31.700 0.329 0.000 0.848 428 V N 1.408 121.353 119.914 0.052 0.000 2.806 428 V HA 0.091 4.211 4.120 -0.000 0.000 0.239 428 V C 0.642 176.779 176.094 0.073 0.000 1.113 428 V CA 1.191 63.514 62.300 0.039 0.000 1.137 428 V CB 0.093 31.914 31.823 -0.004 0.000 0.865 428 V HN 0.431 nan 8.190 nan 0.000 0.482 429 S N -0.209 115.543 115.700 0.087 0.000 2.571 429 S HA 0.687 5.157 4.470 -0.000 0.000 0.284 429 S C -0.922 173.712 174.600 0.056 0.000 1.128 429 S CA -0.322 57.953 58.200 0.125 0.000 0.970 429 S CB 2.415 65.763 63.200 0.246 0.000 1.039 429 S HN 0.015 nan 8.310 nan 0.000 0.485 430 V N 4.903 124.826 119.914 0.015 0.000 2.409 430 V HA 0.516 4.636 4.120 -0.000 0.000 0.290 430 V C -0.616 175.416 176.094 -0.105 0.000 1.017 430 V CA -0.707 61.571 62.300 -0.037 0.000 0.841 430 V CB 0.998 32.803 31.823 -0.030 0.000 1.003 430 V HN 0.780 nan 8.190 nan 0.000 0.426 431 L N 2.523 123.632 121.223 -0.190 0.000 2.346 431 L HA 0.852 5.192 4.340 -0.000 0.000 0.274 431 L C -0.441 176.364 176.870 -0.109 0.000 1.007 431 L CA -0.449 54.244 54.840 -0.245 0.000 0.818 431 L CB 1.853 43.569 42.059 -0.573 0.000 1.284 431 L HN 0.613 nan 8.230 nan 0.000 0.424 432 C N 3.865 123.156 119.300 -0.015 0.000 2.281 432 C HA 0.522 4.982 4.460 -0.000 0.000 0.323 432 C C 0.865 175.942 174.990 0.144 0.000 1.270 432 C CA -0.273 58.797 59.018 0.088 0.000 1.559 432 C CB -0.086 27.778 27.740 0.206 0.000 2.239 432 C HN 1.037 nan 8.230 nan 0.000 0.488 433 R N 4.495 125.026 120.500 0.051 0.000 3.205 433 R HA -0.175 4.165 4.340 -0.000 0.000 0.249 433 R C 1.244 177.579 176.300 0.059 0.000 0.937 433 R CA 0.847 56.975 56.100 0.047 0.000 0.641 433 R CB -1.656 28.674 30.300 0.051 0.000 1.114 433 R HN 1.811 nan 8.270 nan 0.000 0.451 434 G N -0.831 107.955 108.800 -0.023 0.000 2.302 434 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.263 434 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.263 434 G C -0.007 174.843 174.900 -0.083 0.000 0.995 434 G CA 0.930 45.995 45.100 -0.057 0.000 0.622 434 G HN 0.439 nan 8.290 nan 0.000 0.538 435 E N 0.049 120.217 120.200 -0.052 0.000 2.191 435 E HA 0.588 4.938 4.350 -0.000 0.000 0.278 435 E C 0.001 176.499 176.600 -0.169 0.000 0.972 435 E CA -0.968 55.368 56.400 -0.106 0.000 0.804 435 E CB 0.720 30.273 29.700 -0.244 0.000 1.110 435 E HN 0.152 nan 8.360 nan 0.000 0.394 436 F N 1.144 120.988 119.950 -0.178 0.000 2.518 436 F HA -0.028 4.499 4.527 -0.000 0.000 0.359 436 F C 1.656 177.306 175.800 -0.249 0.000 1.118 436 F CA 0.099 57.994 58.000 -0.176 0.000 1.287 436 F CB 0.466 39.366 39.000 -0.165 0.000 1.132 436 F HN 0.209 nan 8.300 nan 0.000 0.587 437 V N 1.887 121.779 119.914 -0.037 0.000 3.484 437 V HA 0.161 4.281 4.120 -0.000 0.000 0.252 437 V C -0.280 175.726 176.094 -0.146 0.000 1.282 437 V CA 0.245 62.482 62.300 -0.105 0.000 1.104 437 V CB 0.879 32.699 31.823 -0.005 0.000 0.868 437 V HN 0.456 nan 8.190 nan 0.000 0.457 438 V N 1.558 121.412 119.914 -0.101 0.000 2.559 438 V HA 0.441 4.561 4.120 -0.000 0.000 0.289 438 V C -0.595 175.508 176.094 0.014 0.000 1.036 438 V CA -0.633 61.553 62.300 -0.190 0.000 0.887 438 V CB 2.101 33.638 31.823 -0.476 0.000 1.022 438 V HN 0.340 nan 8.190 nan 0.000 0.442 439 R N 3.593 124.095 120.500 0.002 0.000 2.445 439 R HA 0.397 4.737 4.340 -0.000 0.000 0.308 439 R C -0.624 175.670 176.300 -0.009 0.000 0.961 439 R CA -0.362 55.745 56.100 0.012 0.000 0.862 439 R CB 1.030 31.143 30.300 -0.311 0.000 1.144 439 R HN 0.810 nan 8.270 nan 0.000 0.447 440 D N 4.647 125.063 120.400 0.025 0.000 2.735 440 D HA -0.179 4.461 4.640 -0.000 0.000 0.235 440 D C -0.509 175.841 176.300 0.082 0.000 1.175 440 D CA 1.258 55.277 54.000 0.031 0.000 0.683 440 D CB -0.384 40.410 40.800 -0.009 0.000 1.008 440 D HN 0.807 nan 8.370 nan 0.000 0.416 441 K N -1.726 118.750 120.400 0.127 0.000 2.960 441 K HA -0.273 4.047 4.320 -0.000 0.000 0.259 441 K C 0.289 177.124 176.600 0.392 0.000 1.025 441 K CA 0.989 57.432 56.287 0.259 0.000 0.756 441 K CB -0.512 32.114 32.500 0.209 0.000 1.221 441 K HN 0.374 nan 8.250 nan 0.000 0.483 442 Q N 0.172 120.135 119.800 0.272 0.000 2.305 442 Q HA 0.279 4.619 4.340 -0.000 0.000 0.271 442 Q C -1.186 174.950 176.000 0.227 0.000 1.046 442 Q CA -0.757 55.236 55.803 0.317 0.000 0.798 442 Q CB 1.329 30.163 28.738 0.160 0.000 1.286 442 Q HN 0.138 nan 8.270 nan 0.000 0.435 443 F N 3.767 123.881 119.950 0.273 0.000 2.538 443 F HA 0.131 4.658 4.527 -0.000 0.000 0.371 443 F C 0.791 176.609 175.800 0.030 0.000 1.087 443 F CA 0.388 58.435 58.000 0.079 0.000 1.250 443 F CB 0.544 39.726 39.000 0.303 0.000 1.110 443 F HN 0.271 nan 8.300 nan 0.000 0.570 444 V N 3.562 122.917 119.914 -0.932 0.000 3.415 444 V HA 0.514 4.634 4.120 -0.000 0.000 0.315 444 V C 0.605 176.175 176.094 -0.873 0.000 1.516 444 V CA 0.352 62.212 62.300 -0.733 0.000 1.122 444 V CB -0.350 31.258 31.823 -0.358 0.000 0.988 444 V HN 0.909 nan 8.190 nan 0.000 0.474 445 G N 0.810 108.694 108.800 -1.527 0.000 2.525 445 G HA2 0.642 4.602 3.960 -0.000 0.000 0.287 445 G HA3 0.642 4.602 3.960 -0.000 0.000 0.287 445 G C -0.693 174.016 174.900 -0.319 0.000 1.350 445 G CA -0.811 43.882 45.100 -0.678 0.000 1.039 445 G HN 0.438 nan 8.290 nan 0.000 0.513 446 K N 1.176 121.612 120.400 0.060 0.000 2.565 446 K HA 0.292 4.612 4.320 -0.000 0.000 0.249 446 K C -2.813 173.942 176.600 0.258 0.000 0.958 446 K CA -1.604 54.787 56.287 0.174 0.000 0.806 446 K CB 3.000 35.546 32.500 0.077 0.000 1.194 446 K HN 0.290 nan 8.250 nan 0.000 0.434 447 P HA -0.074 nan 4.420 nan 0.000 0.263 447 P C 0.552 177.956 177.300 0.174 0.000 1.195 447 P CA 0.980 64.200 63.100 0.199 0.000 0.762 447 P CB 0.784 32.571 31.700 0.145 0.000 0.799 448 G N 2.895 111.803 108.800 0.180 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 0.706 175.720 174.900 0.190 0.000 0.997 448 G CA 0.164 45.359 45.100 0.159 0.000 0.640 448 G HN 0.494 nan 8.290 nan 0.000 0.496 449 Y N 2.182 122.547 120.300 0.108 0.000 2.224 449 Y HA 0.317 4.867 4.550 -0.000 0.000 0.289 449 Y C 1.940 177.908 175.900 0.112 0.000 1.146 449 Y CA 1.650 59.805 58.100 0.092 0.000 1.182 449 Y CB -0.459 38.048 38.460 0.080 0.000 0.983 449 Y HN 0.442 nan 8.280 nan 0.000 0.524 450 G N 2.016 110.902 108.800 0.143 0.000 2.398 450 G HA2 0.330 4.290 3.960 -0.000 0.000 0.246 450 G HA3 0.330 4.290 3.960 -0.000 0.000 0.246 450 G C -0.958 174.051 174.900 0.181 0.000 1.289 450 G CA -0.398 44.780 45.100 0.130 0.000 0.869 450 G HN 0.530 nan 8.290 nan 0.000 0.543 451 Q N 1.320 121.137 119.800 0.029 0.000 2.387 451 Q HA 0.432 4.772 4.340 -0.000 0.000 0.273 451 Q C -1.067 174.681 176.000 -0.421 0.000 1.089 451 Q CA -1.153 54.623 55.803 -0.046 0.000 0.824 451 Q CB 1.864 30.521 28.738 -0.136 0.000 1.367 451 Q HN 0.536 nan 8.270 nan 0.000 0.443 452 Y N 1.794 121.701 120.300 -0.655 0.000 2.550 452 Y HA 0.283 4.833 4.550 -0.000 0.000 0.343 452 Y C -1.133 174.425 175.900 -0.570 0.000 1.245 452 Y CA 0.114 57.616 58.100 -0.997 0.000 1.462 452 Y CB 0.602 38.811 38.460 -0.417 0.000 1.340 452 Y HN 0.585 nan 8.280 nan 0.000 0.604 453 L N 6.562 126.875 121.223 -1.517 0.000 2.349 453 L HA 0.423 4.763 4.340 -0.000 0.000 0.278 453 L C -0.545 175.668 176.870 -1.095 0.000 0.996 453 L CA -0.940 53.304 54.840 -0.994 0.000 0.825 453 L CB 1.619 43.279 42.059 -0.667 0.000 1.243 453 L HN 0.546 nan 8.230 nan 0.000 0.412 454 K N 3.836 123.901 120.400 -0.558 0.000 2.276 454 K HA 0.466 4.786 4.320 -0.000 0.000 0.283 454 K C -0.489 175.980 176.600 -0.218 0.000 1.044 454 K CA -0.529 55.603 56.287 -0.258 0.000 0.944 454 K CB 1.366 33.835 32.500 -0.051 0.000 1.012 454 K HN 0.519 nan 8.250 nan 0.000 0.472 455 R N 0.940 121.349 120.500 -0.152 0.000 2.668 455 R HA 0.393 4.733 4.340 -0.000 0.000 0.279 455 R C -0.283 175.993 176.300 -0.040 0.000 0.976 455 R CA -0.817 55.221 56.100 -0.104 0.000 0.978 455 R CB 1.551 31.792 30.300 -0.099 0.000 1.133 455 R HN 0.655 nan 8.270 nan 0.000 0.484 456 A N 1.482 124.285 122.820 -0.029 0.000 2.507 456 A HA -0.032 4.288 4.320 -0.000 0.000 0.235 456 A C 0.483 178.080 177.584 0.022 0.000 1.070 456 A CA 0.191 52.224 52.037 -0.008 0.000 0.768 456 A CB 0.139 19.130 19.000 -0.015 0.000 1.011 456 A HN 0.791 nan 8.150 nan 0.000 0.502 457 K N 0.420 120.838 120.400 0.031 0.000 2.836 457 K HA 0.047 4.367 4.320 -0.000 0.000 0.236 457 K C -0.560 176.127 176.600 0.145 0.000 1.015 457 K CA 0.283 56.609 56.287 0.065 0.000 1.194 457 K CB -0.601 31.927 32.500 0.046 0.000 1.002 457 K HN 0.754 nan 8.250 nan 0.000 0.479 458 Y N -2.898 117.365 120.300 -0.063 0.000 4.569 458 Y HA -0.296 4.254 4.550 -0.000 0.000 0.237 458 Y C -0.012 175.848 175.900 -0.067 0.000 1.090 458 Y CA 0.777 58.823 58.100 -0.090 0.000 2.052 458 Y CB -1.339 37.072 38.460 -0.082 0.000 1.621 458 Y HN 0.250 nan 8.280 nan 0.000 0.682 459 G N -0.777 107.978 108.800 -0.075 0.000 3.217 459 G HA2 0.524 4.484 3.960 -0.000 0.000 0.213 459 G HA3 0.524 4.484 3.960 -0.000 0.000 0.213 459 G C 0.076 174.924 174.900 -0.086 0.000 1.294 459 G CA 0.012 45.055 45.100 -0.095 0.000 0.987 459 G HN 0.225 nan 8.290 nan 0.000 0.584 460 T N 0.000 114.522 114.554 -0.053 0.000 3.816 460 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 460 T CA 0.000 62.084 62.100 -0.027 0.000 1.349 460 T CB 0.000 68.859 68.868 -0.015 0.000 0.612 460 T HN 0.000 nan 8.240 nan 0.000 0.658