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 1mr5_1_A DATA FIRST_RESID 4 DATA SEQUENCE GSSRVELFKR QSSKVPFEKD GKVTERVVHS FRLPALVNVD GVMVAIADAR DATA SEQUENCE YETSFDNSLI DTVAKYSVDD GETWETQIAI KNSRASSVSR VVDPTVIVKG DATA SEQUENCE NKLYVLVGSY NSSRSYWTSH GDARDWDILL AVGEVTKSTA GGKITASIKW DATA SEQUENCE GSPVSLKEFF PAEMEGMHTN QFLGGAGVAI VASNGNLVYP VQVTNKKKQV DATA SEQUENCE FSKIFYSEDE GKTWKFGKGR SAFGCSEPVA LEWEGKLIIN TRVDYRRRLV DATA SEQUENCE YESSDMGNTW LEAVGTLSRV WGPSPKSNQP GSQSSFTAVT IEGMRVMLFT DATA SEQUENCE HPLNFKGRWL RDRLNLWLTD NQRIYNVGQV SIGDENSAYS SVLYKDDKLY DATA SEQUENCE CLHEINSNEV YSLVFARLVG ELRIIKSVLQ SWKNWDSHLS SIcTPAXXXX DATA SEQUENCE XXXXXGcGPA VTTVGLVGFL SHSATKTEWE DAYRCVNAST ANAERVPNGL DATA SEQUENCE KFAGVGGGAL WPVSQQGQNQ RYHFANHAFT LVASVTIHEV PKGASPLLGA DATA SEQUENCE SLDSSGGKKL LGLSYDKRHQ WQPIYGSTPV TPTGSWEMGK RYHVVLTMAN DATA SEQUENCE KIGSVYIDGE PLEGSGQTVV PDERTPDISH FYVGGYKRSG MPTDSRVTVN DATA SEQUENCE NVLLYNRQLN AEEIRTLFLS QDLIGTEAHM 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 4 G C 0.000 174.897 174.900 -0.005 0.000 0.946 4 G CA 0.000 45.097 45.100 -0.004 0.000 0.502 5 S N 1.399 117.091 115.700 -0.012 0.000 2.573 5 S HA 0.465 4.935 4.470 0.001 0.000 0.297 5 S C 0.365 174.966 174.600 0.001 0.000 1.280 5 S CA 0.882 59.073 58.200 -0.015 0.000 1.061 5 S CB 0.797 63.985 63.200 -0.019 0.000 0.812 5 S HN 1.337 nan 8.310 nan 0.000 0.500 6 S N 2.473 118.177 115.700 0.005 0.000 2.588 6 S HA 0.866 5.336 4.470 0.001 0.000 0.275 6 S C -0.927 173.693 174.600 0.033 0.000 1.130 6 S CA -1.387 56.829 58.200 0.027 0.000 0.855 6 S CB 1.967 65.193 63.200 0.042 0.000 1.116 6 S HN 0.868 nan 8.310 nan 0.000 0.472 7 R N -0.772 119.758 120.500 0.050 0.000 2.799 7 R HA 0.887 5.227 4.340 0.001 0.000 0.270 7 R C -1.243 175.111 176.300 0.089 0.000 1.010 7 R CA -1.062 55.076 56.100 0.064 0.000 0.916 7 R CB 1.379 31.698 30.300 0.033 0.000 1.228 7 R HN 1.026 nan 8.270 nan 0.000 0.469 8 V N -2.496 117.494 119.914 0.127 0.000 2.876 8 V HA 0.521 4.642 4.120 0.001 0.000 0.312 8 V C -0.443 175.690 176.094 0.065 0.000 1.085 8 V CA -0.958 61.403 62.300 0.101 0.000 0.945 8 V CB 1.934 33.838 31.823 0.135 0.000 1.017 8 V HN 0.968 nan 8.190 nan 0.000 0.428 9 E N 1.967 122.178 120.200 0.019 0.000 2.104 9 E HA 0.191 4.542 4.350 0.001 0.000 0.278 9 E C 0.157 176.728 176.600 -0.048 0.000 1.127 9 E CA -0.385 56.010 56.400 -0.009 0.000 0.897 9 E CB 1.323 31.017 29.700 -0.011 0.000 1.043 9 E HN 0.783 nan 8.360 nan 0.000 0.410 10 L N 5.960 127.145 121.223 -0.064 0.000 2.200 10 L HA 0.225 4.566 4.340 0.001 0.000 0.200 10 L C -0.093 176.522 176.870 -0.425 0.000 1.072 10 L CA 1.278 55.972 54.840 -0.243 0.000 0.787 10 L CB 0.187 42.084 42.059 -0.271 0.000 0.957 10 L HN 0.426 nan 8.230 nan 0.000 0.459 11 F N 2.070 121.758 119.950 -0.436 0.000 2.313 11 F HA 0.353 4.880 4.527 0.001 0.000 0.369 11 F C 0.243 175.855 175.800 -0.313 0.000 1.109 11 F CA -0.674 56.914 58.000 -0.686 0.000 1.132 11 F CB 0.487 38.843 39.000 -1.073 0.000 1.291 11 F HN -0.169 nan 8.300 nan 0.000 0.496 12 K N 4.965 125.326 120.400 -0.066 0.000 2.264 12 K HA 0.247 4.568 4.320 0.001 0.000 0.277 12 K C 0.174 176.919 176.600 0.242 0.000 1.067 12 K CA -0.791 55.547 56.287 0.084 0.000 0.900 12 K CB 1.046 33.547 32.500 0.002 0.000 1.124 12 K HN 0.646 nan 8.250 nan 0.000 0.469 13 R N 2.856 123.487 120.500 0.217 0.000 2.638 13 R HA -0.103 4.237 4.340 0.001 0.000 0.268 13 R C -0.404 175.904 176.300 0.013 0.000 1.006 13 R CA 0.383 56.559 56.100 0.126 0.000 1.088 13 R CB 0.052 30.370 30.300 0.031 0.000 0.950 13 R HN 0.720 nan 8.270 nan 0.000 0.419 14 Q N -0.026 119.729 119.800 -0.075 0.000 2.407 14 Q HA -0.306 4.035 4.340 0.001 0.000 0.277 14 Q C 0.210 176.205 176.000 -0.008 0.000 1.161 14 Q CA 1.197 56.951 55.803 -0.083 0.000 0.924 14 Q CB -1.197 27.454 28.738 -0.145 0.000 1.318 14 Q HN 0.881 nan 8.270 nan 0.000 0.513 15 S N -2.097 113.632 115.700 0.049 0.000 4.193 15 S HA 0.119 4.590 4.470 0.001 0.000 0.211 15 S C 0.127 174.767 174.600 0.068 0.000 1.162 15 S CA 0.298 58.526 58.200 0.046 0.000 1.039 15 S CB 0.435 63.651 63.200 0.027 0.000 1.371 15 S HN 0.297 nan 8.310 nan 0.000 0.550 16 S N 2.844 118.606 115.700 0.104 0.000 2.552 16 S HA 0.294 4.765 4.470 0.001 0.000 0.289 16 S C -0.345 174.342 174.600 0.144 0.000 1.304 16 S CA 0.301 58.543 58.200 0.070 0.000 1.063 16 S CB 0.409 63.606 63.200 -0.005 0.000 0.848 16 S HN 0.420 nan 8.310 nan 0.000 0.499 17 K N 1.061 121.512 120.400 0.086 0.000 2.238 17 K HA 0.753 5.073 4.320 0.001 0.000 0.239 17 K C -0.576 176.099 176.600 0.125 0.000 0.987 17 K CA -0.933 55.425 56.287 0.117 0.000 0.857 17 K CB 1.524 34.072 32.500 0.081 0.000 1.154 17 K HN 0.464 nan 8.250 nan 0.000 0.439 18 V N -2.181 117.839 119.914 0.177 0.000 3.078 18 V HA 0.511 4.632 4.120 0.001 0.000 0.311 18 V C -2.761 173.455 176.094 0.203 0.000 1.138 18 V CA -2.663 59.745 62.300 0.180 0.000 1.007 18 V CB 1.836 33.798 31.823 0.231 0.000 1.045 18 V HN 0.628 nan 8.190 nan 0.000 0.432 19 P HA 0.182 nan 4.420 nan 0.000 0.268 19 P C -0.734 176.683 177.300 0.195 0.000 1.485 19 P CA 0.200 63.391 63.100 0.152 0.000 1.102 19 P CB -0.218 31.541 31.700 0.099 0.000 1.501 20 F N 3.630 123.631 119.950 0.084 0.000 2.466 20 F HA 0.165 4.692 4.527 0.001 0.000 0.363 20 F C 0.586 176.382 175.800 -0.007 0.000 1.109 20 F CA -0.384 57.637 58.000 0.035 0.000 1.161 20 F CB 0.436 39.396 39.000 -0.068 0.000 1.117 20 F HN 0.238 nan 8.300 nan 0.000 0.539 21 E N 7.486 127.375 120.200 -0.519 0.000 2.134 21 E HA 0.270 4.621 4.350 0.001 0.000 0.278 21 E C -1.338 174.878 176.600 -0.641 0.000 0.959 21 E CA -0.758 55.380 56.400 -0.436 0.000 0.783 21 E CB 0.988 30.560 29.700 -0.213 0.000 1.095 21 E HN 0.710 nan 8.360 nan 0.000 0.399 22 K N 4.323 124.460 120.400 -0.437 0.000 2.482 22 K HA 0.156 4.477 4.320 0.001 0.000 0.251 22 K C -1.131 175.387 176.600 -0.137 0.000 0.936 22 K CA -0.490 55.615 56.287 -0.303 0.000 0.791 22 K CB 1.030 33.376 32.500 -0.258 0.000 1.213 22 K HN 0.487 nan 8.250 nan 0.000 0.428 23 D N 3.246 123.584 120.400 -0.104 0.000 2.686 23 D HA -0.193 4.448 4.640 0.001 0.000 0.235 23 D C 0.648 176.918 176.300 -0.049 0.000 1.160 23 D CA 2.047 56.012 54.000 -0.059 0.000 0.645 23 D CB -1.059 39.718 40.800 -0.038 0.000 1.039 23 D HN 1.091 nan 8.370 nan 0.000 0.423 24 G N -0.141 108.625 108.800 -0.057 0.000 2.179 24 G HA2 -0.359 3.601 3.960 0.001 0.000 0.260 24 G HA3 -0.359 3.601 3.960 0.001 0.000 0.260 24 G C 0.269 175.148 174.900 -0.034 0.000 0.977 24 G CA 0.870 45.947 45.100 -0.039 0.000 0.641 24 G HN 0.746 nan 8.290 nan 0.000 0.533 25 K N -0.370 120.003 120.400 -0.046 0.000 2.324 25 K HA 0.751 5.072 4.320 0.001 0.000 0.253 25 K C -0.998 175.580 176.600 -0.036 0.000 0.932 25 K CA -0.887 55.384 56.287 -0.027 0.000 0.799 25 K CB 2.629 35.123 32.500 -0.010 0.000 1.154 25 K HN 0.490 nan 8.250 nan 0.000 0.425 26 V N 3.555 123.465 119.914 -0.007 0.000 2.495 26 V HA 0.578 4.698 4.120 0.001 0.000 0.298 26 V C -1.441 174.682 176.094 0.049 0.000 1.031 26 V CA -0.002 62.303 62.300 0.009 0.000 0.871 26 V CB 1.852 33.681 31.823 0.010 0.000 0.988 26 V HN 1.020 nan 8.190 nan 0.000 0.432 27 T N 5.384 119.995 114.554 0.095 0.000 2.893 27 T HA 0.479 4.829 4.350 0.001 0.000 0.293 27 T C -0.937 173.843 174.700 0.134 0.000 1.027 27 T CA -0.685 61.480 62.100 0.108 0.000 0.988 27 T CB 1.686 70.627 68.868 0.121 0.000 1.043 27 T HN 0.669 nan 8.240 nan 0.000 0.461 28 E N 2.358 122.616 120.200 0.097 0.000 2.324 28 E HA 0.170 4.520 4.350 0.001 0.000 0.271 28 E C -0.063 176.599 176.600 0.104 0.000 1.028 28 E CA 0.011 56.472 56.400 0.102 0.000 0.890 28 E CB 1.073 30.814 29.700 0.068 0.000 1.004 28 E HN 0.433 nan 8.360 nan 0.000 0.431 29 R N 2.740 123.325 120.500 0.142 0.000 2.513 29 R HA 0.282 4.623 4.340 0.001 0.000 0.301 29 R C -0.744 175.637 176.300 0.136 0.000 0.968 29 R CA -0.636 55.525 56.100 0.101 0.000 0.872 29 R CB 1.597 31.910 30.300 0.022 0.000 1.177 29 R HN 0.344 nan 8.270 nan 0.000 0.444 30 V N 5.119 125.083 119.914 0.082 0.000 2.763 30 V HA 0.137 4.258 4.120 0.001 0.000 0.306 30 V C -0.524 175.620 176.094 0.084 0.000 1.059 30 V CA 0.280 62.626 62.300 0.078 0.000 1.138 30 V CB 1.362 33.210 31.823 0.041 0.000 0.940 30 V HN 0.540 nan 8.190 nan 0.000 0.489 31 V N 6.958 126.885 119.914 0.022 0.000 2.495 31 V HA 0.306 4.427 4.120 0.001 0.000 0.298 31 V C 1.009 176.990 176.094 -0.189 0.000 1.031 31 V CA -0.407 61.798 62.300 -0.158 0.000 0.871 31 V CB 1.175 32.679 31.823 -0.533 0.000 0.988 31 V HN 1.060 nan 8.190 nan 0.000 0.432 32 H N 2.711 121.659 119.070 -0.202 0.000 2.257 32 H HA -0.064 4.493 4.556 0.001 0.000 0.292 32 H C 0.521 175.746 175.328 -0.171 0.000 1.075 32 H CA 2.024 57.988 56.048 -0.141 0.000 1.212 32 H CB 0.513 30.220 29.762 -0.092 0.000 1.354 32 H HN 0.587 nan 8.280 nan 0.000 0.497 33 S N -1.149 114.483 115.700 -0.113 0.000 2.549 33 S HA 0.471 4.942 4.470 0.001 0.000 0.280 33 S C -1.462 172.907 174.600 -0.386 0.000 1.109 33 S CA -0.634 57.525 58.200 -0.068 0.000 0.905 33 S CB 1.867 65.200 63.200 0.221 0.000 1.081 33 S HN 0.222 nan 8.310 nan 0.000 0.477 34 F N 1.695 121.660 119.950 0.026 0.000 2.507 34 F HA 0.659 5.187 4.527 0.001 0.000 0.325 34 F C 0.725 176.456 175.800 -0.115 0.000 1.116 34 F CA -0.682 57.279 58.000 -0.065 0.000 0.930 34 F CB 1.621 40.601 39.000 -0.035 0.000 1.146 34 F HN 0.247 nan 8.300 nan 0.000 0.447 35 R N 1.252 121.736 120.500 -0.027 0.000 2.846 35 R HA 0.546 4.886 4.340 0.001 0.000 0.263 35 R C -1.310 174.936 176.300 -0.089 0.000 1.080 35 R CA -1.151 54.871 56.100 -0.131 0.000 0.961 35 R CB 1.476 31.558 30.300 -0.364 0.000 1.231 35 R HN 0.539 nan 8.270 nan 0.000 0.465 36 L N 1.274 122.491 121.223 -0.011 0.000 3.550 36 L HA -0.103 4.238 4.340 0.001 0.000 0.523 36 L C -2.263 174.631 176.870 0.040 0.000 1.312 36 L CA 0.356 55.272 54.840 0.127 0.000 0.864 36 L CB -1.820 40.272 42.059 0.055 0.000 1.592 36 L HN 0.548 nan 8.230 nan 0.000 0.859 37 P HA 0.364 nan 4.420 nan 0.000 0.271 37 P C -0.384 176.934 177.300 0.031 0.000 1.216 37 P CA -0.070 63.009 63.100 -0.036 0.000 0.776 37 P CB 1.595 33.288 31.700 -0.011 0.000 0.881 38 A N 3.495 126.334 122.820 0.031 0.000 2.402 38 A HA 0.571 4.891 4.320 0.001 0.000 0.291 38 A C -1.499 176.162 177.584 0.128 0.000 1.051 38 A CA -0.595 51.498 52.037 0.092 0.000 0.716 38 A CB 0.932 19.992 19.000 0.100 0.000 1.223 38 A HN 0.499 nan 8.150 nan 0.000 0.425 39 L N 4.295 125.617 121.223 0.166 0.000 2.372 39 L HA 0.811 5.151 4.340 0.001 0.000 0.274 39 L C -0.517 176.483 176.870 0.217 0.000 0.988 39 L CA -0.357 54.615 54.840 0.219 0.000 0.833 39 L CB 1.670 43.886 42.059 0.262 0.000 1.236 39 L HN 1.044 nan 8.230 nan 0.000 0.410 40 V N 2.065 122.107 119.914 0.213 0.000 3.119 40 V HA 0.753 4.874 4.120 0.001 0.000 0.311 40 V C -1.108 175.076 176.094 0.151 0.000 1.259 40 V CA -0.830 61.578 62.300 0.180 0.000 1.067 40 V CB 2.036 33.960 31.823 0.168 0.000 1.123 40 V HN 0.885 nan 8.190 nan 0.000 0.463 41 N N -0.442 118.329 118.700 0.118 0.000 2.314 41 N HA 0.678 5.419 4.740 0.001 0.000 0.294 41 N C -1.568 173.976 175.510 0.058 0.000 1.029 41 N CA -0.470 52.626 53.050 0.076 0.000 0.845 41 N CB 2.146 40.672 38.487 0.065 0.000 1.321 41 N HN 0.739 nan 8.380 nan 0.000 0.481 42 V N 3.169 123.100 119.914 0.029 0.000 2.380 42 V HA 0.280 4.401 4.120 0.001 0.000 0.286 42 V C -0.241 175.839 176.094 -0.023 0.000 1.015 42 V CA -0.725 61.577 62.300 0.003 0.000 0.834 42 V CB 0.805 32.617 31.823 -0.019 0.000 1.009 42 V HN 0.982 nan 8.190 nan 0.000 0.428 43 D N 4.526 124.915 120.400 -0.017 0.000 2.755 43 D HA -0.166 4.475 4.640 0.001 0.000 0.227 43 D C 1.398 177.679 176.300 -0.032 0.000 1.211 43 D CA 2.019 56.004 54.000 -0.025 0.000 0.663 43 D CB -0.799 39.980 40.800 -0.036 0.000 0.983 43 D HN 1.377 nan 8.370 nan 0.000 0.407 44 G N -1.155 107.630 108.800 -0.026 0.000 2.212 44 G HA2 -0.325 3.636 3.960 0.001 0.000 0.266 44 G HA3 -0.325 3.636 3.960 0.001 0.000 0.266 44 G C 0.503 175.371 174.900 -0.053 0.000 0.978 44 G CA 0.255 45.333 45.100 -0.037 0.000 0.632 44 G HN 0.793 nan 8.290 nan 0.000 0.537 45 V N 1.843 121.728 119.914 -0.048 0.000 2.498 45 V HA 0.567 4.688 4.120 0.001 0.000 0.279 45 V C 0.799 176.872 176.094 -0.035 0.000 1.048 45 V CA -0.155 62.112 62.300 -0.055 0.000 0.967 45 V CB 1.699 33.483 31.823 -0.066 0.000 0.988 45 V HN 0.410 nan 8.190 nan 0.000 0.473 46 M N 5.399 124.951 119.600 -0.079 0.000 2.144 46 M HA 0.498 4.978 4.480 0.001 0.000 0.356 46 M C -1.216 175.152 176.300 0.114 0.000 1.217 46 M CA -0.226 55.043 55.300 -0.051 0.000 1.087 46 M CB 1.200 33.647 32.600 -0.256 0.000 1.609 46 M HN 0.480 nan 8.290 nan 0.000 0.467 47 V N 4.292 124.353 119.914 0.245 0.000 2.483 47 V HA 0.665 4.785 4.120 0.001 0.000 0.297 47 V C -0.446 175.883 176.094 0.391 0.000 1.027 47 V CA -0.877 61.645 62.300 0.368 0.000 0.855 47 V CB 1.472 33.459 31.823 0.274 0.000 0.995 47 V HN 0.907 nan 8.190 nan 0.000 0.424 48 A N 6.552 129.643 122.820 0.451 0.000 2.273 48 A HA 0.864 5.184 4.320 0.001 0.000 0.315 48 A C -0.778 176.955 177.584 0.247 0.000 1.256 48 A CA -0.414 51.797 52.037 0.290 0.000 0.851 48 A CB 0.489 19.599 19.000 0.183 0.000 1.172 48 A HN 0.582 nan 8.150 nan 0.000 0.508 49 I N 1.468 122.119 120.570 0.135 0.000 2.530 49 I HA 0.815 4.986 4.170 0.001 0.000 0.297 49 I C 0.441 176.524 176.117 -0.057 0.000 1.011 49 I CA -0.182 61.166 61.300 0.081 0.000 1.107 49 I CB 1.418 39.484 38.000 0.109 0.000 1.285 49 I HN 0.867 nan 8.210 nan 0.000 0.436 50 A N 4.591 127.361 122.820 -0.084 0.000 2.536 50 A HA 0.587 4.907 4.320 0.001 0.000 0.293 50 A C -1.547 176.003 177.584 -0.056 0.000 1.119 50 A CA -0.665 51.289 52.037 -0.139 0.000 0.654 50 A CB 0.920 19.680 19.000 -0.400 0.000 1.291 50 A HN 0.501 nan 8.150 nan 0.000 0.439 51 D N 0.937 121.303 120.400 -0.056 0.000 2.304 51 D HA 0.535 5.176 4.640 0.001 0.000 0.250 51 D C 0.015 176.311 176.300 -0.007 0.000 1.107 51 D CA 0.819 54.782 54.000 -0.063 0.000 0.885 51 D CB 1.534 42.264 40.800 -0.117 0.000 1.192 51 D HN 0.824 nan 8.370 nan 0.000 0.436 52 A N 3.441 126.199 122.820 -0.104 0.000 2.267 52 A HA 0.438 4.759 4.320 0.001 0.000 0.315 52 A C -0.026 177.218 177.584 -0.567 0.000 1.297 52 A CA -0.717 51.116 52.037 -0.341 0.000 0.865 52 A CB 0.440 19.285 19.000 -0.259 0.000 1.165 52 A HN 0.421 nan 8.150 nan 0.000 0.513 53 R N 3.115 123.265 120.500 -0.584 0.000 2.346 53 R HA 0.272 4.613 4.340 0.001 0.000 0.309 53 R C -0.325 175.777 176.300 -0.331 0.000 1.119 53 R CA -0.260 55.618 56.100 -0.370 0.000 1.112 53 R CB 0.284 30.438 30.300 -0.244 0.000 1.132 53 R HN 0.872 nan 8.270 nan 0.000 0.538 54 Y N 1.047 121.256 120.300 -0.151 0.000 2.040 54 Y HA -0.315 4.236 4.550 0.001 0.000 0.275 54 Y C 2.048 177.899 175.900 -0.082 0.000 1.171 54 Y CA 1.438 59.455 58.100 -0.139 0.000 1.123 54 Y CB 0.236 38.597 38.460 -0.166 0.000 0.963 54 Y HN 0.440 nan 8.280 nan 0.000 0.493 55 E N -1.395 118.856 120.200 0.085 0.000 2.290 55 E HA 0.086 4.437 4.350 0.001 0.000 0.197 55 E C 0.618 177.111 176.600 -0.178 0.000 0.948 55 E CA 0.817 57.218 56.400 0.003 0.000 0.895 55 E CB 0.613 30.304 29.700 -0.015 0.000 0.865 55 E HN 0.262 nan 8.360 nan 0.000 0.486 56 T N -1.186 113.190 114.554 -0.296 0.000 2.802 56 T HA 0.139 4.489 4.350 0.001 0.000 0.311 56 T C 0.420 174.897 174.700 -0.372 0.000 1.405 56 T CA 0.076 61.793 62.100 -0.638 0.000 1.016 56 T CB 1.320 70.022 68.868 -0.277 0.000 1.352 56 T HN -0.060 nan 8.240 nan 0.000 0.498 57 S N 1.840 117.374 115.700 -0.277 0.000 2.561 57 S HA 0.163 4.633 4.470 0.001 0.000 0.225 57 S C 0.674 175.222 174.600 -0.087 0.000 0.977 57 S CA -0.306 57.848 58.200 -0.076 0.000 0.926 57 S CB -0.672 62.619 63.200 0.151 0.000 0.769 57 S HN 0.581 nan 8.310 nan 0.000 0.533 58 F N 3.681 123.526 119.950 -0.176 0.000 2.602 58 F HA 0.139 4.667 4.527 0.001 0.000 0.367 58 F C 0.984 176.704 175.800 -0.132 0.000 1.126 58 F CA -0.610 57.303 58.000 -0.146 0.000 1.321 58 F CB 0.310 39.238 39.000 -0.119 0.000 1.094 58 F HN -0.014 nan 8.300 nan 0.000 0.594 59 D N 2.734 122.581 120.400 -0.921 0.000 2.117 59 D HA -0.193 4.448 4.640 0.001 0.000 0.197 59 D C 0.326 176.304 176.300 -0.537 0.000 0.987 59 D CA 1.600 55.227 54.000 -0.622 0.000 0.829 59 D CB -0.218 40.306 40.800 -0.458 0.000 0.961 59 D HN 0.414 nan 8.370 nan 0.000 0.460 60 N N 0.354 118.547 118.700 -0.844 0.000 2.918 60 N HA 0.213 4.954 4.740 0.001 0.000 0.247 60 N C -0.690 174.841 175.510 0.036 0.000 1.117 60 N CA -0.198 52.699 53.050 -0.254 0.000 1.005 60 N CB 0.670 39.114 38.487 -0.072 0.000 1.297 60 N HN 0.017 nan 8.380 nan 0.000 0.513 61 S N -0.275 115.426 115.700 0.002 0.000 2.757 61 S HA 0.424 4.894 4.470 0.001 0.000 0.285 61 S C -1.193 173.435 174.600 0.047 0.000 1.196 61 S CA -0.978 57.258 58.200 0.060 0.000 0.856 61 S CB 0.815 64.057 63.200 0.069 0.000 1.212 61 S HN 0.146 nan 8.310 nan 0.000 0.516 62 L N 1.447 122.715 121.223 0.075 0.000 2.385 62 L HA 0.601 4.942 4.340 0.001 0.000 0.281 62 L C -1.165 175.826 176.870 0.201 0.000 1.106 62 L CA 0.201 55.123 54.840 0.138 0.000 0.856 62 L CB -0.719 41.422 42.059 0.137 0.000 1.186 62 L HN 0.583 nan 8.230 nan 0.000 0.453 63 I N 4.124 124.788 120.570 0.158 0.000 2.569 63 I HA 0.393 4.564 4.170 0.001 0.000 0.290 63 I C -0.782 175.403 176.117 0.114 0.000 1.088 63 I CA -0.752 60.594 61.300 0.077 0.000 1.047 63 I CB 1.909 39.891 38.000 -0.031 0.000 1.237 63 I HN 0.403 nan 8.210 nan 0.000 0.421 64 D N 2.872 123.332 120.400 0.100 0.000 2.442 64 D HA 0.473 5.113 4.640 0.001 0.000 0.254 64 D C -0.512 175.774 176.300 -0.024 0.000 1.069 64 D CA -0.294 53.758 54.000 0.088 0.000 1.017 64 D CB 2.015 42.943 40.800 0.213 0.000 1.172 64 D HN 0.340 nan 8.370 nan 0.000 0.561 65 T N 0.380 114.902 114.554 -0.055 0.000 2.743 65 T HA 0.367 4.718 4.350 0.001 0.000 0.292 65 T C -0.151 174.494 174.700 -0.091 0.000 0.972 65 T CA -0.471 61.575 62.100 -0.090 0.000 0.967 65 T CB 1.118 69.895 68.868 -0.151 0.000 0.926 65 T HN 0.063 nan 8.240 nan 0.000 0.459 66 V N 2.936 122.850 119.914 0.001 0.000 2.617 66 V HA 0.867 4.988 4.120 0.001 0.000 0.298 66 V C -0.424 175.725 176.094 0.092 0.000 1.048 66 V CA -0.570 61.781 62.300 0.084 0.000 0.964 66 V CB 1.233 33.222 31.823 0.278 0.000 1.004 66 V HN 1.049 nan 8.190 nan 0.000 0.466 67 A N 6.115 129.007 122.820 0.121 0.000 2.374 67 A HA 0.792 5.113 4.320 0.001 0.000 0.305 67 A C -0.707 177.029 177.584 0.253 0.000 1.053 67 A CA -0.816 51.358 52.037 0.228 0.000 0.726 67 A CB 1.317 20.494 19.000 0.295 0.000 1.229 67 A HN 0.828 nan 8.150 nan 0.000 0.431 68 K N 0.892 121.466 120.400 0.291 0.000 2.259 68 K HA 0.655 4.976 4.320 0.001 0.000 0.249 68 K C -1.619 175.313 176.600 0.552 0.000 0.942 68 K CA -0.531 55.874 56.287 0.197 0.000 0.816 68 K CB 2.197 34.542 32.500 -0.258 0.000 1.155 68 K HN 0.776 nan 8.250 nan 0.000 0.428 69 Y N -2.077 118.500 120.300 0.461 0.000 2.504 69 Y HA 0.637 5.188 4.550 0.001 0.000 0.344 69 Y C -0.921 174.942 175.900 -0.062 0.000 1.023 69 Y CA -0.980 57.285 58.100 0.275 0.000 1.020 69 Y CB 2.069 40.619 38.460 0.150 0.000 1.282 69 Y HN 0.439 nan 8.280 nan 0.000 0.454 70 S N 1.960 117.476 115.700 -0.306 0.000 2.548 70 S HA 0.517 4.987 4.470 0.001 0.000 0.276 70 S C -0.339 174.036 174.600 -0.375 0.000 1.129 70 S CA -0.157 57.644 58.200 -0.666 0.000 0.931 70 S CB 1.522 63.718 63.200 -1.675 0.000 1.068 70 S HN 1.443 nan 8.310 nan 0.000 0.480 71 V N 0.676 120.438 119.914 -0.252 0.000 3.483 71 V HA 0.431 4.552 4.120 0.001 0.000 0.301 71 V C 0.127 176.114 176.094 -0.179 0.000 1.389 71 V CA 0.350 62.551 62.300 -0.165 0.000 1.101 71 V CB -0.217 31.557 31.823 -0.083 0.000 0.971 71 V HN 0.801 nan 8.190 nan 0.000 0.434 72 D N -0.335 119.914 120.400 -0.251 0.000 3.008 72 D HA 0.160 4.801 4.640 0.001 0.000 0.312 72 D C 0.033 176.215 176.300 -0.195 0.000 1.361 72 D CA -0.408 53.481 54.000 -0.185 0.000 0.858 72 D CB -0.593 40.117 40.800 -0.150 0.000 1.098 72 D HN 0.349 nan 8.370 nan 0.000 0.482 73 D N 0.387 120.661 120.400 -0.211 0.000 2.792 73 D HA -0.196 4.444 4.640 0.001 0.000 0.231 73 D C 1.221 177.384 176.300 -0.230 0.000 1.160 73 D CA 1.330 55.221 54.000 -0.183 0.000 0.697 73 D CB -1.528 39.271 40.800 -0.001 0.000 1.070 73 D HN 0.770 nan 8.370 nan 0.000 0.426 74 G N -0.055 108.405 108.800 -0.568 0.000 2.141 74 G HA2 -0.367 3.594 3.960 0.001 0.000 0.242 74 G HA3 -0.367 3.594 3.960 0.001 0.000 0.242 74 G C 0.659 175.399 174.900 -0.265 0.000 0.982 74 G CA 0.803 45.468 45.100 -0.724 0.000 0.662 74 G HN 0.491 nan 8.290 nan 0.000 0.527 75 E N 0.652 120.729 120.200 -0.204 0.000 2.122 75 E HA 0.178 4.528 4.350 0.001 0.000 0.190 75 E C 1.530 178.092 176.600 -0.063 0.000 0.977 75 E CA 1.923 58.300 56.400 -0.039 0.000 0.820 75 E CB 0.106 29.796 29.700 -0.016 0.000 0.770 75 E HN 0.850 nan 8.360 nan 0.000 0.462 76 T N -2.808 111.603 114.554 -0.238 0.000 2.906 76 T HA 0.637 4.987 4.350 0.001 0.000 0.295 76 T C -1.021 173.439 174.700 -0.400 0.000 1.075 76 T CA -0.935 61.074 62.100 -0.152 0.000 1.005 76 T CB 1.008 69.810 68.868 -0.109 0.000 1.136 76 T HN 0.122 nan 8.240 nan 0.000 0.498 77 W N -0.027 121.133 121.300 -0.233 0.000 3.033 77 W HA 0.607 5.267 4.660 0.001 0.000 0.336 77 W C -0.314 175.998 176.519 -0.346 0.000 1.173 77 W CA -0.743 56.420 57.345 -0.303 0.000 1.185 77 W CB 1.561 30.819 29.460 -0.337 0.000 1.425 77 W HN 0.576 nan 8.180 nan 0.000 0.536 78 E N 0.850 120.876 120.200 -0.290 0.000 2.250 78 E HA 0.625 4.976 4.350 0.001 0.000 0.269 78 E C -0.735 175.685 176.600 -0.299 0.000 1.018 78 E CA -0.448 55.712 56.400 -0.398 0.000 0.873 78 E CB 1.891 31.139 29.700 -0.753 0.000 1.134 78 E HN 0.225 nan 8.360 nan 0.000 0.403 79 T N 1.961 116.416 114.554 -0.165 0.000 2.861 79 T HA 0.459 4.810 4.350 0.001 0.000 0.287 79 T C -0.488 174.229 174.700 0.028 0.000 1.003 79 T CA -0.846 61.208 62.100 -0.078 0.000 0.977 79 T CB 1.607 70.413 68.868 -0.104 0.000 0.996 79 T HN 0.456 nan 8.240 nan 0.000 0.448 80 Q N 1.830 121.687 119.800 0.095 0.000 2.575 80 Q HA 0.546 4.887 4.340 0.001 0.000 0.290 80 Q C -1.885 174.164 176.000 0.082 0.000 0.963 80 Q CA -1.058 54.825 55.803 0.133 0.000 0.783 80 Q CB 1.302 30.191 28.738 0.252 0.000 1.467 80 Q HN 0.373 nan 8.270 nan 0.000 0.402 81 I N 2.048 122.643 120.570 0.042 0.000 2.321 81 I HA 0.323 4.494 4.170 0.001 0.000 0.291 81 I C 0.797 176.770 176.117 -0.240 0.000 0.998 81 I CA -0.157 61.118 61.300 -0.041 0.000 1.227 81 I CB 0.886 38.905 38.000 0.032 0.000 1.368 81 I HN 0.979 nan 8.210 nan 0.000 0.466 82 A N 7.748 130.262 122.820 -0.511 0.000 1.878 82 A HA 0.264 4.584 4.320 0.001 0.000 0.213 82 A C 0.869 178.017 177.584 -0.727 0.000 1.192 82 A CA 1.021 52.300 52.037 -1.264 0.000 0.619 82 A CB 0.181 18.218 19.000 -1.605 0.000 0.837 82 A HN 0.607 nan 8.150 nan 0.000 0.446 83 I N -0.126 120.206 120.570 -0.397 0.000 2.656 83 I HA 0.290 4.461 4.170 0.001 0.000 0.292 83 I C -0.990 175.058 176.117 -0.114 0.000 1.144 83 I CA -0.925 60.248 61.300 -0.212 0.000 1.038 83 I CB 2.387 40.272 38.000 -0.193 0.000 1.244 83 I HN 0.265 nan 8.210 nan 0.000 0.420 84 K N 4.422 124.776 120.400 -0.076 0.000 2.203 84 K HA 0.494 4.815 4.320 0.001 0.000 0.251 84 K C -0.677 175.901 176.600 -0.037 0.000 0.944 84 K CA -0.829 55.435 56.287 -0.038 0.000 0.829 84 K CB 1.847 34.310 32.500 -0.061 0.000 1.125 84 K HN 0.700 nan 8.250 nan 0.000 0.430 85 N N 0.594 119.295 118.700 0.001 0.000 2.317 85 N HA -0.098 4.643 4.740 0.001 0.000 0.245 85 N C 0.524 176.023 175.510 -0.019 0.000 1.294 85 N CA -0.178 52.870 53.050 -0.004 0.000 0.924 85 N CB 0.781 39.293 38.487 0.042 0.000 1.186 85 N HN 0.766 nan 8.380 nan 0.000 0.495 86 S N -0.578 115.110 115.700 -0.020 0.000 2.555 86 S HA -0.045 4.426 4.470 0.001 0.000 0.230 86 S C 0.681 175.272 174.600 -0.015 0.000 0.978 86 S CA 0.042 58.226 58.200 -0.026 0.000 0.934 86 S CB -0.413 62.772 63.200 -0.025 0.000 0.766 86 S HN 0.750 nan 8.310 nan 0.000 0.533 87 R N -0.286 120.218 120.500 0.006 0.000 3.741 87 R HA -0.221 4.120 4.340 0.001 0.000 0.292 87 R C 1.151 177.463 176.300 0.020 0.000 1.176 87 R CA 0.669 56.781 56.100 0.021 0.000 0.794 87 R CB -2.261 28.036 30.300 -0.005 0.000 1.213 87 R HN 0.625 nan 8.270 nan 0.000 0.494 88 A N -0.340 122.493 122.820 0.020 0.000 2.014 88 A HA 0.157 4.477 4.320 0.001 0.000 0.218 88 A C 1.023 178.624 177.584 0.027 0.000 1.163 88 A CA 1.427 53.475 52.037 0.019 0.000 0.652 88 A CB 0.148 19.159 19.000 0.018 0.000 0.808 88 A HN 0.601 nan 8.150 nan 0.000 0.449 89 S N -2.810 112.912 115.700 0.037 0.000 2.703 89 S HA 0.335 4.805 4.470 0.001 0.000 0.273 89 S C 0.613 175.239 174.600 0.044 0.000 1.178 89 S CA 0.475 58.697 58.200 0.037 0.000 0.838 89 S CB 0.424 63.648 63.200 0.039 0.000 1.178 89 S HN 0.859 nan 8.310 nan 0.000 0.494 90 S N -0.140 115.583 115.700 0.038 0.000 2.562 90 S HA 0.041 4.512 4.470 0.001 0.000 0.221 90 S C 1.387 176.018 174.600 0.051 0.000 0.975 90 S CA 0.768 58.989 58.200 0.034 0.000 0.918 90 S CB -0.716 62.495 63.200 0.018 0.000 0.772 90 S HN 1.748 nan 8.310 nan 0.000 0.531 91 V N -1.689 118.262 119.914 0.063 0.000 3.483 91 V HA 0.435 4.555 4.120 0.001 0.000 0.301 91 V C 0.322 176.464 176.094 0.080 0.000 1.389 91 V CA -0.554 61.790 62.300 0.074 0.000 1.101 91 V CB -0.527 31.346 31.823 0.084 0.000 0.971 91 V HN 0.282 nan 8.190 nan 0.000 0.434 92 S N 3.092 118.840 115.700 0.080 0.000 2.552 92 S HA 0.513 4.983 4.470 0.001 0.000 0.289 92 S C 0.169 174.824 174.600 0.091 0.000 1.304 92 S CA 0.029 58.281 58.200 0.087 0.000 1.063 92 S CB 0.111 63.351 63.200 0.067 0.000 0.848 92 S HN 0.960 nan 8.310 nan 0.000 0.499 93 R N -0.317 120.240 120.500 0.096 0.000 2.604 93 R HA 0.564 4.904 4.340 0.001 0.000 0.261 93 R C -1.662 174.674 176.300 0.059 0.000 1.080 93 R CA -1.046 55.102 56.100 0.079 0.000 0.917 93 R CB 0.448 30.787 30.300 0.066 0.000 1.252 93 R HN 0.368 nan 8.270 nan 0.000 0.456 94 V N 0.064 119.981 119.914 0.006 0.000 2.547 94 V HA 0.883 5.003 4.120 0.001 0.000 0.299 94 V C 0.359 176.420 176.094 -0.056 0.000 1.040 94 V CA -0.657 61.611 62.300 -0.053 0.000 0.913 94 V CB 1.218 32.990 31.823 -0.086 0.000 0.992 94 V HN 0.760 nan 8.190 nan 0.000 0.449 95 V N -0.600 119.262 119.914 -0.086 0.000 3.159 95 V HA 0.676 4.797 4.120 0.001 0.000 0.308 95 V C -0.525 175.487 176.094 -0.137 0.000 1.190 95 V CA -0.879 61.365 62.300 -0.094 0.000 1.037 95 V CB 1.715 33.495 31.823 -0.071 0.000 1.060 95 V HN 0.863 nan 8.190 nan 0.000 0.437 96 D N 1.266 121.601 120.400 -0.109 0.000 2.810 96 D HA -0.102 4.538 4.640 0.001 0.000 0.224 96 D C -2.274 173.966 176.300 -0.101 0.000 1.222 96 D CA 1.192 55.139 54.000 -0.088 0.000 0.698 96 D CB -0.906 39.818 40.800 -0.127 0.000 0.961 96 D HN 0.783 nan 8.370 nan 0.000 0.403 97 P HA 0.032 nan 4.420 nan 0.000 0.267 97 P C -0.310 176.975 177.300 -0.024 0.000 1.209 97 P CA 0.245 63.304 63.100 -0.067 0.000 0.763 97 P CB 0.920 32.591 31.700 -0.049 0.000 0.816 98 T N 2.870 117.402 114.554 -0.036 0.000 2.812 98 T HA 0.386 4.736 4.350 0.001 0.000 0.282 98 T C -0.130 174.697 174.700 0.212 0.000 0.990 98 T CA -0.463 61.660 62.100 0.039 0.000 0.960 98 T CB 1.203 70.013 68.868 -0.097 0.000 0.948 98 T HN 0.078 nan 8.240 nan 0.000 0.438 99 V N 4.519 124.612 119.914 0.299 0.000 2.513 99 V HA 0.605 4.725 4.120 0.001 0.000 0.299 99 V C -0.338 175.974 176.094 0.364 0.000 1.035 99 V CA -0.831 61.678 62.300 0.349 0.000 0.889 99 V CB 1.676 33.653 31.823 0.257 0.000 0.988 99 V HN 0.803 nan 8.190 nan 0.000 0.440 100 I N 3.805 124.590 120.570 0.357 0.000 2.545 100 I HA 0.503 4.674 4.170 0.001 0.000 0.292 100 I C -0.727 175.545 176.117 0.258 0.000 1.040 100 I CA -0.874 60.553 61.300 0.212 0.000 1.068 100 I CB 2.368 40.378 38.000 0.016 0.000 1.251 100 I HN 0.281 nan 8.210 nan 0.000 0.424 101 V N 5.761 125.784 119.914 0.180 0.000 2.427 101 V HA 0.460 4.581 4.120 0.001 0.000 0.286 101 V C -0.227 175.945 176.094 0.130 0.000 1.034 101 V CA -0.569 61.831 62.300 0.165 0.000 0.893 101 V CB 1.564 33.459 31.823 0.119 0.000 0.982 101 V HN 0.652 nan 8.190 nan 0.000 0.452 102 K N 3.489 123.988 120.400 0.164 0.000 2.601 102 K HA 0.606 4.926 4.320 0.001 0.000 0.249 102 K C 0.316 176.976 176.600 0.100 0.000 0.966 102 K CA 0.380 56.735 56.287 0.113 0.000 0.827 102 K CB 1.449 34.019 32.500 0.115 0.000 1.178 102 K HN 1.064 nan 8.250 nan 0.000 0.437 103 G N 3.259 112.087 108.800 0.047 0.000 2.578 103 G HA2 -0.347 3.614 3.960 0.001 0.000 0.275 103 G HA3 -0.347 3.614 3.960 0.001 0.000 0.275 103 G C 0.041 174.943 174.900 0.003 0.000 1.271 103 G CA 0.269 45.381 45.100 0.020 0.000 0.941 103 G HN 0.717 nan 8.290 nan 0.000 0.564 104 N N 1.363 120.045 118.700 -0.030 0.000 2.471 104 N HA 0.183 4.923 4.740 0.001 0.000 0.205 104 N C 0.237 175.678 175.510 -0.115 0.000 1.251 104 N CA 0.762 53.769 53.050 -0.071 0.000 0.843 104 N CB 0.179 38.614 38.487 -0.087 0.000 1.044 104 N HN 0.490 nan 8.380 nan 0.000 0.461 105 K N 0.305 120.653 120.400 -0.086 0.000 2.244 105 K HA 0.409 4.730 4.320 0.001 0.000 0.260 105 K C -0.658 175.858 176.600 -0.140 0.000 0.951 105 K CA -0.543 55.631 56.287 -0.189 0.000 0.826 105 K CB 1.947 34.301 32.500 -0.243 0.000 1.108 105 K HN -0.069 nan 8.250 nan 0.000 0.433 106 L N 4.207 125.291 121.223 -0.232 0.000 2.265 106 L HA 0.356 4.697 4.340 0.001 0.000 0.289 106 L C -0.921 175.937 176.870 -0.019 0.000 1.033 106 L CA -0.788 54.033 54.840 -0.032 0.000 0.814 106 L CB 0.261 42.321 42.059 0.002 0.000 1.203 106 L HN 0.505 nan 8.230 nan 0.000 0.423 107 Y N 3.100 123.516 120.300 0.193 0.000 2.404 107 Y HA 0.411 4.961 4.550 0.001 0.000 0.344 107 Y C 0.047 176.158 175.900 0.351 0.000 0.970 107 Y CA -0.692 57.571 58.100 0.273 0.000 1.180 107 Y CB 1.320 39.945 38.460 0.275 0.000 1.138 107 Y HN 0.196 nan 8.280 nan 0.000 0.510 108 V N 5.833 126.000 119.914 0.422 0.000 2.409 108 V HA 0.334 4.455 4.120 0.001 0.000 0.291 108 V C -0.713 175.455 176.094 0.122 0.000 1.020 108 V CA -0.832 61.634 62.300 0.277 0.000 0.848 108 V CB 1.678 33.620 31.823 0.198 0.000 0.990 108 V HN 0.528 nan 8.190 nan 0.000 0.430 109 L N 7.720 128.915 121.223 -0.046 0.000 2.296 109 L HA 0.894 5.235 4.340 0.001 0.000 0.286 109 L C -0.417 176.289 176.870 -0.272 0.000 1.023 109 L CA -0.068 54.614 54.840 -0.264 0.000 0.812 109 L CB 1.678 43.318 42.059 -0.700 0.000 1.223 109 L HN 0.599 nan 8.230 nan 0.000 0.421 110 V N 1.842 121.593 119.914 -0.272 0.000 2.971 110 V HA 0.940 5.060 4.120 0.001 0.000 0.309 110 V C 0.226 176.107 176.094 -0.357 0.000 1.130 110 V CA -0.224 61.912 62.300 -0.274 0.000 0.964 110 V CB 1.188 32.893 31.823 -0.197 0.000 1.029 110 V HN 0.926 nan 8.190 nan 0.000 0.427 111 G N 1.280 109.875 108.800 -0.341 0.000 2.527 111 G HA2 0.509 4.469 3.960 0.001 0.000 0.248 111 G HA3 0.509 4.469 3.960 0.001 0.000 0.248 111 G C -0.097 174.577 174.900 -0.376 0.000 1.231 111 G CA 0.301 45.153 45.100 -0.414 0.000 0.838 111 G HN 1.663 nan 8.290 nan 0.000 0.570 112 S N 0.475 115.834 115.700 -0.567 0.000 2.594 112 S HA 0.638 5.108 4.470 0.001 0.000 0.296 112 S C -1.488 172.802 174.600 -0.518 0.000 1.124 112 S CA -0.790 57.185 58.200 -0.374 0.000 1.011 112 S CB 0.941 63.970 63.200 -0.285 0.000 1.016 112 S HN 0.466 nan 8.310 nan 0.000 0.485 113 Y N 3.823 124.094 120.300 -0.048 0.000 2.350 113 Y HA 0.464 5.015 4.550 0.000 0.000 0.338 113 Y C 1.249 177.161 175.900 0.019 0.000 0.961 113 Y CA -0.873 57.242 58.100 0.026 0.000 1.100 113 Y CB 1.780 40.279 38.460 0.065 0.000 1.179 113 Y HN 0.644 nan 8.280 nan 0.000 0.454 114 N N 0.505 119.293 118.700 0.146 0.000 2.176 114 N HA -0.056 4.684 4.740 0.001 0.000 0.187 114 N C 0.561 176.134 175.510 0.105 0.000 1.043 114 N CA 1.304 54.409 53.050 0.092 0.000 0.851 114 N CB 0.039 38.556 38.487 0.051 0.000 1.018 114 N HN 0.487 nan 8.380 nan 0.000 0.436 115 S N -0.473 115.295 115.700 0.113 0.000 2.817 115 S HA 0.084 4.555 4.470 0.001 0.000 0.262 115 S C 0.166 174.813 174.600 0.079 0.000 1.051 115 S CA -0.526 57.724 58.200 0.084 0.000 1.185 115 S CB 0.541 63.775 63.200 0.055 0.000 1.152 115 S HN 0.325 nan 8.310 nan 0.000 0.653 116 S N 2.445 118.208 115.700 0.104 0.000 2.549 116 S HA 0.236 4.707 4.470 0.001 0.000 0.286 116 S C 0.627 175.265 174.600 0.065 0.000 1.314 116 S CA -0.422 57.806 58.200 0.047 0.000 1.062 116 S CB 0.482 63.710 63.200 0.047 0.000 0.865 116 S HN 0.205 nan 8.310 nan 0.000 0.498 117 R N 1.417 121.947 120.500 0.051 0.000 2.515 117 R HA 0.224 4.564 4.340 0.001 0.000 0.294 117 R C 0.025 176.410 176.300 0.142 0.000 1.021 117 R CA -0.038 56.122 56.100 0.100 0.000 1.081 117 R CB -0.529 29.819 30.300 0.080 0.000 1.263 117 R HN 0.844 nan 8.270 nan 0.000 0.557 118 S N -1.246 114.544 115.700 0.150 0.000 2.570 118 S HA 0.332 4.803 4.470 0.001 0.000 0.286 118 S C -0.702 174.061 174.600 0.272 0.000 1.099 118 S CA -0.887 57.439 58.200 0.210 0.000 0.913 118 S CB 1.546 64.853 63.200 0.179 0.000 1.085 118 S HN 0.149 nan 8.310 nan 0.000 0.480 119 Y N 4.220 124.532 120.300 0.020 0.000 2.721 119 Y HA 0.030 4.580 4.550 0.000 0.000 0.329 119 Y C 1.743 177.457 175.900 -0.309 0.000 1.211 119 Y CA -0.312 57.716 58.100 -0.120 0.000 1.512 119 Y CB 0.368 38.741 38.460 -0.146 0.000 1.249 119 Y HN 0.899 nan 8.280 nan 0.000 0.549 120 W N 3.587 124.207 121.300 -1.132 0.000 2.274 120 W HA -0.323 4.339 4.660 0.002 0.000 0.314 120 W C 1.031 177.008 176.519 -0.903 0.000 1.254 120 W CA 2.039 58.577 57.345 -1.344 0.000 1.265 120 W CB -1.714 27.175 29.460 -0.952 0.000 1.141 120 W HN 0.487 nan 8.180 nan 0.000 0.505 121 T N 1.836 115.442 114.554 -1.580 0.000 2.849 121 T HA -0.210 4.141 4.350 0.001 0.000 0.270 121 T C 2.102 176.547 174.700 -0.424 0.000 1.066 121 T CA 2.790 64.240 62.100 -1.084 0.000 1.130 121 T CB -0.431 67.926 68.868 -0.851 0.000 0.864 121 T HN 0.450 nan 8.240 nan 0.000 0.481 122 S N -0.025 115.547 115.700 -0.213 0.000 2.522 122 S HA -0.010 4.461 4.470 0.001 0.000 0.227 122 S C 0.594 175.258 174.600 0.106 0.000 0.986 122 S CA -0.073 58.125 58.200 -0.004 0.000 0.929 122 S CB -0.402 62.853 63.200 0.092 0.000 0.769 122 S HN 0.476 nan 8.310 nan 0.000 0.529 123 H N 1.178 120.193 119.070 -0.091 0.000 2.790 123 H HA 0.498 5.054 4.556 0.001 0.000 0.358 123 H C 1.471 176.781 175.328 -0.030 0.000 1.103 123 H CA 0.101 56.129 56.048 -0.033 0.000 1.426 123 H CB 0.504 30.270 29.762 0.007 0.000 1.424 123 H HN 0.295 nan 8.280 nan 0.000 0.599 124 G N 0.696 109.562 108.800 0.110 0.000 3.020 124 G HA2 0.104 4.064 3.960 0.001 0.000 0.217 124 G HA3 0.104 4.064 3.960 0.001 0.000 0.217 124 G C -0.403 174.531 174.900 0.057 0.000 1.144 124 G CA 0.323 45.455 45.100 0.052 0.000 0.760 124 G HN 0.722 nan 8.290 nan 0.000 0.548 125 D N -2.438 118.017 120.400 0.091 0.000 2.759 125 D HA 0.508 5.149 4.640 0.001 0.000 0.321 125 D C 0.176 176.566 176.300 0.149 0.000 1.267 125 D CA -0.187 53.870 54.000 0.096 0.000 0.933 125 D CB 0.841 41.684 40.800 0.072 0.000 1.431 125 D HN -0.042 nan 8.370 nan 0.000 0.504 126 A N -0.610 122.308 122.820 0.164 0.000 2.507 126 A HA 0.277 4.597 4.320 0.001 0.000 0.270 126 A C 1.439 179.196 177.584 0.289 0.000 1.318 126 A CA -0.237 51.951 52.037 0.251 0.000 0.924 126 A CB -0.483 18.688 19.000 0.286 0.000 1.061 126 A HN 0.332 nan 8.150 nan 0.000 0.516 127 R N -0.127 120.492 120.500 0.199 0.000 2.237 127 R HA -0.061 4.279 4.340 0.001 0.000 0.219 127 R C 0.707 177.101 176.300 0.157 0.000 1.080 127 R CA 1.450 57.639 56.100 0.148 0.000 0.995 127 R CB -0.032 30.321 30.300 0.090 0.000 0.875 127 R HN 0.467 nan 8.270 nan 0.000 0.462 128 D N -1.864 118.675 120.400 0.232 0.000 2.440 128 D HA 0.056 4.697 4.640 0.001 0.000 0.216 128 D C -1.140 175.299 176.300 0.232 0.000 1.150 128 D CA -0.205 53.938 54.000 0.240 0.000 0.832 128 D CB 0.317 41.291 40.800 0.291 0.000 0.992 128 D HN 0.093 nan 8.370 nan 0.000 0.502 129 W N 0.627 121.892 121.300 -0.059 0.000 2.844 129 W HA 0.571 5.232 4.660 0.003 0.000 0.340 129 W C -1.586 174.764 176.519 -0.282 0.000 1.093 129 W CA -0.643 56.505 57.345 -0.329 0.000 1.212 129 W CB 1.479 30.832 29.460 -0.178 0.000 1.422 129 W HN -0.298 nan 8.180 nan 0.000 0.515 130 D N 3.416 122.950 120.400 -1.444 0.000 2.622 130 D HA 0.329 4.970 4.640 0.001 0.000 0.255 130 D C -2.087 173.211 176.300 -1.669 0.000 1.246 130 D CA -0.558 52.518 54.000 -1.540 0.000 0.795 130 D CB 2.199 42.572 40.800 -0.713 0.000 1.369 130 D HN 0.312 nan 8.370 nan 0.000 0.425 131 I N 2.330 122.120 120.570 -1.299 0.000 2.439 131 I HA 0.446 4.617 4.170 0.001 0.000 0.283 131 I C -1.529 174.258 176.117 -0.550 0.000 1.023 131 I CA -0.448 60.275 61.300 -0.961 0.000 1.100 131 I CB 0.784 38.100 38.000 -1.141 0.000 1.238 131 I HN 0.334 nan 8.210 nan 0.000 0.445 132 L N 7.204 128.170 121.223 -0.428 0.000 2.334 132 L HA 0.629 4.969 4.340 0.001 0.000 0.273 132 L C -1.053 175.714 176.870 -0.170 0.000 1.013 132 L CA -1.078 53.610 54.840 -0.253 0.000 0.816 132 L CB 1.907 43.834 42.059 -0.220 0.000 1.278 132 L HN 0.483 nan 8.230 nan 0.000 0.431 133 L N 2.451 123.640 121.223 -0.056 0.000 2.385 133 L HA 0.884 5.225 4.340 0.001 0.000 0.273 133 L C -0.783 176.148 176.870 0.102 0.000 0.990 133 L CA -0.071 54.801 54.840 0.052 0.000 0.821 133 L CB 1.746 43.884 42.059 0.132 0.000 1.279 133 L HN 0.707 nan 8.230 nan 0.000 0.412 134 A N 4.343 127.254 122.820 0.150 0.000 2.414 134 A HA 0.824 5.145 4.320 0.001 0.000 0.306 134 A C -1.624 176.102 177.584 0.236 0.000 1.054 134 A CA -0.569 51.578 52.037 0.183 0.000 0.724 134 A CB 1.861 20.968 19.000 0.179 0.000 1.267 134 A HN 0.467 nan 8.150 nan 0.000 0.418 135 V N 1.446 121.443 119.914 0.139 0.000 2.459 135 V HA 0.684 4.804 4.120 0.001 0.000 0.295 135 V C 0.736 176.717 176.094 -0.189 0.000 1.029 135 V CA -0.060 62.194 62.300 -0.077 0.000 0.874 135 V CB 1.810 33.486 31.823 -0.245 0.000 0.985 135 V HN 1.184 nan 8.190 nan 0.000 0.438 136 G N 2.758 111.256 108.800 -0.504 0.000 2.368 136 G HA2 0.576 4.537 3.960 0.001 0.000 0.320 136 G HA3 0.576 4.537 3.960 0.001 0.000 0.320 136 G C -0.733 173.728 174.900 -0.732 0.000 1.158 136 G CA -0.325 44.048 45.100 -1.211 0.000 0.912 136 G HN 0.689 nan 8.290 nan 0.000 0.456 137 E N 2.311 122.150 120.200 -0.602 0.000 2.081 137 E HA 0.398 4.748 4.350 0.001 0.000 0.276 137 E C -0.376 175.998 176.600 -0.377 0.000 0.950 137 E CA -0.448 55.719 56.400 -0.389 0.000 0.776 137 E CB 1.280 30.816 29.700 -0.274 0.000 1.094 137 E HN 0.179 nan 8.360 nan 0.000 0.402 138 V N 5.022 124.747 119.914 -0.315 0.000 2.432 138 V HA 0.341 4.461 4.120 0.001 0.000 0.275 138 V C 0.117 176.086 176.094 -0.208 0.000 1.043 138 V CA -0.286 61.840 62.300 -0.291 0.000 0.925 138 V CB 1.445 33.121 31.823 -0.245 0.000 0.985 138 V HN 0.759 nan 8.190 nan 0.000 0.466 139 T N 5.840 120.276 114.554 -0.198 0.000 2.856 139 T HA 0.497 4.848 4.350 0.001 0.000 0.283 139 T C -0.365 174.264 174.700 -0.117 0.000 1.008 139 T CA -0.767 61.252 62.100 -0.135 0.000 0.997 139 T CB 1.503 70.304 68.868 -0.111 0.000 0.992 139 T HN 0.567 nan 8.240 nan 0.000 0.454 140 K N 1.261 121.610 120.400 -0.085 0.000 2.208 140 K HA 0.754 5.075 4.320 0.001 0.000 0.247 140 K C -0.438 176.135 176.600 -0.045 0.000 0.953 140 K CA -0.781 55.468 56.287 -0.064 0.000 0.837 140 K CB 2.002 34.467 32.500 -0.057 0.000 1.131 140 K HN 0.571 nan 8.250 nan 0.000 0.431 141 S N -0.275 115.405 115.700 -0.033 0.000 2.569 141 S HA 0.422 4.893 4.470 0.001 0.000 0.280 141 S C -0.484 174.103 174.600 -0.021 0.000 1.111 141 S CA -0.570 57.615 58.200 -0.025 0.000 0.887 141 S CB 1.490 64.679 63.200 -0.019 0.000 1.095 141 S HN 0.614 nan 8.310 nan 0.000 0.476 142 T N 0.708 115.251 114.554 -0.019 0.000 3.415 142 T HA 0.583 4.934 4.350 0.001 0.000 0.282 142 T C 0.272 174.963 174.700 -0.014 0.000 1.007 142 T CA -0.060 62.030 62.100 -0.017 0.000 0.958 142 T CB 0.006 68.864 68.868 -0.018 0.000 1.171 142 T HN 0.947 nan 8.240 nan 0.000 0.500 143 A N 0.812 123.624 122.820 -0.012 0.000 2.524 143 A HA 0.571 4.891 4.320 0.001 0.000 0.250 143 A C 1.682 179.260 177.584 -0.010 0.000 1.078 143 A CA 0.362 52.393 52.037 -0.010 0.000 0.761 143 A CB -0.975 18.020 19.000 -0.008 0.000 1.012 143 A HN 1.598 nan 8.150 nan 0.000 0.500 144 G N 1.458 110.253 108.800 -0.009 0.000 2.179 144 G HA2 0.129 4.089 3.960 0.001 0.000 0.257 144 G HA3 0.129 4.089 3.960 0.001 0.000 0.257 144 G C 1.579 176.473 174.900 -0.009 0.000 1.010 144 G CA 1.056 46.151 45.100 -0.009 0.000 0.736 144 G HN 2.823 nan 8.290 nan 0.000 0.513 145 G N -1.163 107.631 108.800 -0.011 0.000 2.143 145 G HA2 -0.233 3.728 3.960 0.001 0.000 0.249 145 G HA3 -0.233 3.728 3.960 0.001 0.000 0.249 145 G C 0.167 175.059 174.900 -0.014 0.000 0.981 145 G CA 1.318 46.411 45.100 -0.012 0.000 0.665 145 G HN 1.416 nan 8.290 nan 0.000 0.528 146 K N 0.622 121.013 120.400 -0.014 0.000 2.293 146 K HA 0.642 4.962 4.320 0.001 0.000 0.267 146 K C 0.506 177.095 176.600 -0.017 0.000 1.010 146 K CA -1.061 55.217 56.287 -0.016 0.000 0.875 146 K CB 0.439 32.930 32.500 -0.014 0.000 1.106 146 K HN 0.169 nan 8.250 nan 0.000 0.450 147 I N 5.173 125.730 120.570 -0.022 0.000 2.436 147 I HA 0.027 4.197 4.170 0.001 0.000 0.289 147 I C 0.521 176.626 176.117 -0.021 0.000 1.083 147 I CA 0.253 61.539 61.300 -0.024 0.000 1.372 147 I CB 0.617 38.599 38.000 -0.030 0.000 1.408 147 I HN 0.752 nan 8.210 nan 0.000 0.516 148 T N 3.050 117.596 114.554 -0.013 0.000 2.864 148 T HA 0.899 5.249 4.350 0.001 0.000 0.289 148 T C -0.580 174.128 174.700 0.014 0.000 1.082 148 T CA -0.837 61.267 62.100 0.006 0.000 1.009 148 T CB 2.315 71.193 68.868 0.017 0.000 1.234 148 T HN 0.594 nan 8.240 nan 0.000 0.526 149 A N 0.562 123.422 122.820 0.068 0.000 2.527 149 A HA 0.965 5.286 4.320 0.001 0.000 0.293 149 A C -0.292 177.321 177.584 0.047 0.000 1.117 149 A CA -0.495 51.550 52.037 0.013 0.000 0.723 149 A CB 1.488 20.462 19.000 -0.042 0.000 1.313 149 A HN 1.923 nan 8.150 nan 0.000 0.411 150 S N -0.520 115.097 115.700 -0.138 0.000 2.579 150 S HA 0.807 5.278 4.470 0.001 0.000 0.272 150 S C -1.231 173.159 174.600 -0.351 0.000 1.141 150 S CA -0.570 57.541 58.200 -0.149 0.000 0.843 150 S CB 1.094 64.290 63.200 -0.006 0.000 1.122 150 S HN 0.796 nan 8.310 nan 0.000 0.468 151 I N 1.355 121.733 120.570 -0.320 0.000 2.468 151 I HA 0.438 4.608 4.170 0.001 0.000 0.285 151 I C -0.621 175.314 176.117 -0.303 0.000 1.039 151 I CA -0.738 60.319 61.300 -0.406 0.000 1.074 151 I CB 2.062 39.771 38.000 -0.485 0.000 1.228 151 I HN 0.455 nan 8.210 nan 0.000 0.436 152 K N 5.888 126.080 120.400 -0.345 0.000 2.264 152 K HA 0.276 4.596 4.320 0.001 0.000 0.277 152 K C -1.398 174.991 176.600 -0.351 0.000 1.067 152 K CA -0.437 55.721 56.287 -0.216 0.000 0.900 152 K CB 0.833 33.248 32.500 -0.141 0.000 1.124 152 K HN 0.440 nan 8.250 nan 0.000 0.469 153 W N 2.472 123.764 121.300 -0.014 0.000 2.387 153 W HA 0.280 4.940 4.660 0.001 0.000 0.310 153 W C 1.205 177.715 176.519 -0.015 0.000 1.181 153 W CA -0.428 56.910 57.345 -0.012 0.000 1.333 153 W CB 0.943 30.409 29.460 0.010 0.000 1.286 153 W HN 0.649 nan 8.180 nan 0.000 0.455 154 G N 1.860 110.759 108.800 0.165 0.000 2.634 154 G HA2 0.264 4.225 3.960 0.001 0.000 0.255 154 G HA3 0.264 4.225 3.960 0.001 0.000 0.255 154 G C -0.191 174.787 174.900 0.131 0.000 1.205 154 G CA -0.717 44.446 45.100 0.104 0.000 0.884 154 G HN 0.384 nan 8.290 nan 0.000 0.549 155 S N 1.400 117.147 115.700 0.079 0.000 2.564 155 S HA 0.305 4.776 4.470 0.001 0.000 0.278 155 S C -1.986 172.648 174.600 0.057 0.000 1.333 155 S CA -0.578 57.656 58.200 0.057 0.000 1.048 155 S CB 1.073 64.293 63.200 0.032 0.000 0.900 155 S HN 0.417 nan 8.310 nan 0.000 0.505 156 P HA 0.254 nan 4.420 nan 0.000 0.269 156 P C -1.123 176.185 177.300 0.014 0.000 1.215 156 P CA -0.306 62.805 63.100 0.019 0.000 0.780 156 P CB 0.414 32.095 31.700 -0.032 0.000 0.898 157 V N 1.285 121.215 119.914 0.027 0.000 2.735 157 V HA 0.354 4.475 4.120 0.001 0.000 0.310 157 V C 0.189 176.287 176.094 0.007 0.000 1.061 157 V CA -0.654 61.670 62.300 0.039 0.000 0.913 157 V CB 1.953 33.840 31.823 0.106 0.000 1.005 157 V HN 0.564 nan 8.190 nan 0.000 0.428 158 S N 3.543 119.232 115.700 -0.019 0.000 2.548 158 S HA 0.433 4.903 4.470 0.001 0.000 0.277 158 S C 0.432 175.049 174.600 0.029 0.000 1.315 158 S CA -0.474 57.681 58.200 -0.076 0.000 1.050 158 S CB 0.297 63.428 63.200 -0.115 0.000 0.918 158 S HN 0.599 nan 8.310 nan 0.000 0.497 159 L N 4.761 126.004 121.223 0.034 0.000 2.741 159 L HA 0.291 4.632 4.340 0.001 0.000 0.237 159 L C 1.937 178.991 176.870 0.307 0.000 1.178 159 L CA -0.154 54.870 54.840 0.307 0.000 0.973 159 L CB -0.307 41.925 42.059 0.288 0.000 1.255 159 L HN 0.665 nan 8.230 nan 0.000 0.498 160 K N 1.906 122.343 120.400 0.062 0.000 2.152 160 K HA -0.209 4.112 4.320 0.001 0.000 0.206 160 K C 1.896 178.616 176.600 0.200 0.000 1.048 160 K CA 1.726 58.085 56.287 0.120 0.000 0.933 160 K CB 0.121 32.592 32.500 -0.049 0.000 0.721 160 K HN 0.535 nan 8.250 nan 0.000 0.447 161 E N -0.571 119.609 120.200 -0.033 0.000 2.401 161 E HA -0.189 4.162 4.350 0.001 0.000 0.199 161 E C 0.782 177.287 176.600 -0.158 0.000 1.023 161 E CA 0.836 57.123 56.400 -0.187 0.000 0.859 161 E CB -0.271 29.154 29.700 -0.459 0.000 0.780 161 E HN 0.435 nan 8.360 nan 0.000 0.523 162 F N -0.089 120.102 119.950 0.402 0.000 2.695 162 F HA 0.233 4.760 4.527 0.000 0.000 0.303 162 F C 0.336 176.525 175.800 0.649 0.000 1.091 162 F CA -0.739 57.549 58.000 0.480 0.000 1.300 162 F CB 0.476 39.800 39.000 0.540 0.000 1.071 162 F HN -0.047 nan 8.300 nan 0.000 0.578 163 F N 5.091 125.358 119.950 0.527 0.000 2.361 163 F HA 0.438 4.965 4.527 0.001 0.000 0.364 163 F C -2.135 173.792 175.800 0.211 0.000 1.120 163 F CA -4.249 53.993 58.000 0.404 0.000 1.102 163 F CB 0.214 39.549 39.000 0.559 0.000 1.183 163 F HN -0.202 nan 8.300 nan 0.000 0.476 164 P HA 0.182 nan 4.420 nan 0.000 0.275 164 P C -0.038 177.006 177.300 -0.426 0.000 1.228 164 P CA -0.164 62.825 63.100 -0.186 0.000 0.786 164 P CB 1.272 32.889 31.700 -0.138 0.000 0.927 165 A N 2.475 125.162 122.820 -0.222 0.000 2.070 165 A HA -0.095 4.226 4.320 0.001 0.000 0.220 165 A C 0.808 178.263 177.584 -0.216 0.000 1.159 165 A CA 1.241 53.166 52.037 -0.186 0.000 0.656 165 A CB -0.410 18.550 19.000 -0.066 0.000 0.800 165 A HN 0.706 nan 8.150 nan 0.000 0.453 166 E N -1.683 118.376 120.200 -0.237 0.000 2.367 166 E HA 0.692 5.043 4.350 0.001 0.000 0.273 166 E C -1.168 175.298 176.600 -0.224 0.000 0.903 166 E CA -0.503 55.747 56.400 -0.250 0.000 0.764 166 E CB 1.936 31.491 29.700 -0.242 0.000 1.252 166 E HN 0.315 nan 8.360 nan 0.000 0.446 167 M N 0.566 120.043 119.600 -0.205 0.000 2.704 167 M HA 0.281 4.762 4.480 0.001 0.000 0.284 167 M C -0.590 175.617 176.300 -0.155 0.000 1.275 167 M CA -0.855 54.348 55.300 -0.162 0.000 0.811 167 M CB 2.223 34.733 32.600 -0.151 0.000 1.741 167 M HN 0.424 nan 8.290 nan 0.000 0.458 168 E N 0.744 120.865 120.200 -0.133 0.000 2.606 168 E HA 0.111 4.462 4.350 0.001 0.000 0.248 168 E C 0.735 177.261 176.600 -0.123 0.000 1.005 168 E CA 1.229 57.559 56.400 -0.116 0.000 0.946 168 E CB 0.088 29.727 29.700 -0.102 0.000 0.928 168 E HN 0.854 nan 8.360 nan 0.000 0.494 169 G N 4.049 112.786 108.800 -0.105 0.000 2.160 169 G HA2 -0.279 3.682 3.960 0.001 0.000 0.251 169 G HA3 -0.279 3.682 3.960 0.001 0.000 0.251 169 G C 0.042 174.903 174.900 -0.065 0.000 1.008 169 G CA 0.847 45.903 45.100 -0.072 0.000 0.724 169 G HN 0.611 nan 8.290 nan 0.000 0.514 170 M N -3.156 116.367 119.600 -0.128 0.000 2.880 170 M HA 0.746 5.227 4.480 0.001 0.000 0.269 170 M C -1.456 174.726 176.300 -0.197 0.000 1.248 170 M CA -1.137 54.130 55.300 -0.055 0.000 0.821 170 M CB 1.136 33.715 32.600 -0.034 0.000 1.650 170 M HN 0.043 nan 8.290 nan 0.000 0.479 171 H N 0.553 119.596 119.070 -0.046 0.000 2.505 171 H HA 0.574 5.130 4.556 -0.001 0.000 0.338 171 H C -0.482 174.821 175.328 -0.041 0.000 1.057 171 H CA -0.279 55.737 56.048 -0.054 0.000 1.202 171 H CB 1.671 31.410 29.762 -0.038 0.000 1.466 171 H HN 0.781 nan 8.280 nan 0.000 0.499 172 T N -0.580 113.957 114.554 -0.027 0.000 2.882 172 T HA 0.147 4.497 4.350 0.001 0.000 0.287 172 T C 0.762 175.490 174.700 0.046 0.000 1.014 172 T CA -0.387 61.690 62.100 -0.039 0.000 1.049 172 T CB 1.705 70.293 68.868 -0.468 0.000 1.001 172 T HN 0.605 nan 8.240 nan 0.000 0.525 173 N N 0.489 119.280 118.700 0.151 0.000 2.984 173 N HA 0.198 4.939 4.740 0.001 0.000 0.235 173 N C -0.192 175.327 175.510 0.016 0.000 1.025 173 N CA 0.144 53.257 53.050 0.105 0.000 1.173 173 N CB 0.789 39.304 38.487 0.047 0.000 1.615 173 N HN 0.777 nan 8.380 nan 0.000 0.560 174 Q N -1.068 118.657 119.800 -0.126 0.000 2.484 174 Q HA 0.482 4.822 4.340 0.001 0.000 0.285 174 Q C -1.606 174.213 176.000 -0.300 0.000 1.097 174 Q CA -0.975 54.354 55.803 -0.791 0.000 0.802 174 Q CB 2.919 31.227 28.738 -0.717 0.000 1.444 174 Q HN 0.329 nan 8.270 nan 0.000 0.429 175 F N -1.019 118.491 119.950 -0.733 0.000 2.619 175 F HA 0.757 5.284 4.527 0.001 0.000 0.308 175 F C -2.062 173.538 175.800 -0.334 0.000 1.097 175 F CA -1.061 56.703 58.000 -0.393 0.000 0.953 175 F CB 1.139 39.889 39.000 -0.417 0.000 1.287 175 F HN 0.329 nan 8.300 nan 0.000 0.446 176 L N 2.007 122.985 121.223 -0.408 0.000 2.283 176 L HA 0.840 5.181 4.340 0.001 0.000 0.259 176 L C 0.571 177.281 176.870 -0.266 0.000 1.027 176 L CA -1.376 53.165 54.840 -0.499 0.000 0.828 176 L CB 1.959 43.587 42.059 -0.719 0.000 1.380 176 L HN 1.014 nan 8.230 nan 0.000 0.425 177 G N -0.696 107.926 108.800 -0.296 0.000 2.606 177 G HA2 0.337 4.297 3.960 0.001 0.000 0.252 177 G HA3 0.337 4.297 3.960 0.001 0.000 0.252 177 G C 0.795 175.649 174.900 -0.078 0.000 1.206 177 G CA 0.118 45.102 45.100 -0.193 0.000 0.861 177 G HN 0.854 nan 8.290 nan 0.000 0.561 178 G N -0.924 107.895 108.800 0.031 0.000 2.920 178 G HA2 0.536 4.497 3.960 0.001 0.000 0.208 178 G HA3 0.536 4.497 3.960 0.001 0.000 0.208 178 G C 0.855 175.783 174.900 0.047 0.000 1.159 178 G CA 1.197 46.339 45.100 0.070 0.000 0.784 178 G HN 2.103 nan 8.290 nan 0.000 0.535 179 A N -2.453 120.381 122.820 0.022 0.000 3.682 179 A HA 0.455 4.775 4.320 0.001 0.000 0.628 179 A C 1.450 179.073 177.584 0.065 0.000 0.718 179 A CA 0.619 52.672 52.037 0.027 0.000 0.282 179 A CB -1.125 17.892 19.000 0.028 0.000 3.621 179 A HN 2.403 nan 8.150 nan 0.000 0.523 180 G N -2.058 106.783 108.800 0.068 0.000 2.550 180 G HA2 0.195 4.155 3.960 0.001 0.000 0.277 180 G HA3 0.195 4.155 3.960 0.001 0.000 0.277 180 G C 0.373 175.357 174.900 0.140 0.000 1.190 180 G CA 0.799 45.954 45.100 0.093 0.000 0.971 180 G HN 2.360 nan 8.290 nan 0.000 0.559 181 V N 1.188 121.197 119.914 0.159 0.000 2.459 181 V HA 0.759 4.880 4.120 0.001 0.000 0.295 181 V C 0.949 177.167 176.094 0.206 0.000 1.029 181 V CA 0.315 62.727 62.300 0.187 0.000 0.874 181 V CB 0.726 32.650 31.823 0.169 0.000 0.985 181 V HN 1.780 nan 8.190 nan 0.000 0.438 182 A N 5.562 128.526 122.820 0.239 0.000 3.068 182 A HA 1.012 5.333 4.320 0.001 0.000 0.229 182 A C -0.281 177.375 177.584 0.119 0.000 1.561 182 A CA -0.533 51.633 52.037 0.216 0.000 0.876 182 A CB 1.030 20.226 19.000 0.327 0.000 1.700 182 A HN 1.084 nan 8.150 nan 0.000 0.535 183 I N -3.831 116.766 120.570 0.045 0.000 3.195 183 I HA 0.699 4.870 4.170 0.001 0.000 0.313 183 I C -1.473 174.612 176.117 -0.053 0.000 1.237 183 I CA -1.092 60.216 61.300 0.013 0.000 0.963 183 I CB 1.905 39.922 38.000 0.028 0.000 1.278 183 I HN 0.270 nan 8.210 nan 0.000 0.460 184 V N 2.962 122.851 119.914 -0.041 0.000 2.394 184 V HA 0.693 4.813 4.120 0.001 0.000 0.282 184 V C 0.810 176.870 176.094 -0.057 0.000 1.031 184 V CA -0.245 62.011 62.300 -0.073 0.000 0.881 184 V CB 1.176 32.965 31.823 -0.058 0.000 0.982 184 V HN 0.939 nan 8.190 nan 0.000 0.451 185 A N 3.787 126.562 122.820 -0.076 0.000 2.296 185 A HA 0.434 4.755 4.320 0.001 0.000 0.264 185 A C 1.600 179.147 177.584 -0.061 0.000 1.097 185 A CA 0.367 52.364 52.037 -0.067 0.000 0.811 185 A CB 0.332 19.278 19.000 -0.090 0.000 1.072 185 A HN 1.182 nan 8.150 nan 0.000 0.495 186 S N 0.494 116.160 115.700 -0.056 0.000 2.419 186 S HA -0.202 4.269 4.470 0.001 0.000 0.233 186 S C 1.129 175.695 174.600 -0.057 0.000 1.016 186 S CA 1.456 59.624 58.200 -0.052 0.000 0.974 186 S CB -0.637 62.532 63.200 -0.052 0.000 0.786 186 S HN 0.933 nan 8.310 nan 0.000 0.492 187 N N 1.424 120.084 118.700 -0.067 0.000 2.449 187 N HA 0.224 4.964 4.740 0.001 0.000 0.191 187 N C 1.245 176.711 175.510 -0.073 0.000 1.161 187 N CA 0.791 53.800 53.050 -0.067 0.000 0.863 187 N CB -0.518 37.925 38.487 -0.073 0.000 0.980 187 N HN 0.674 nan 8.380 nan 0.000 0.458 188 G N -0.651 108.102 108.800 -0.078 0.000 2.213 188 G HA2 -0.284 3.677 3.960 0.001 0.000 0.236 188 G HA3 -0.284 3.677 3.960 0.001 0.000 0.236 188 G C -0.275 174.549 174.900 -0.127 0.000 0.991 188 G CA -0.155 44.892 45.100 -0.090 0.000 0.629 188 G HN 0.473 nan 8.290 nan 0.000 0.517 189 N N 0.844 119.465 118.700 -0.131 0.000 2.492 189 N HA 0.383 5.123 4.740 0.001 0.000 0.262 189 N C 0.695 176.082 175.510 -0.205 0.000 1.202 189 N CA 0.096 53.050 53.050 -0.161 0.000 0.926 189 N CB 0.523 38.947 38.487 -0.105 0.000 1.078 189 N HN 0.370 nan 8.380 nan 0.000 0.454 190 L N 2.094 123.124 121.223 -0.322 0.000 2.361 190 L HA 0.247 4.588 4.340 0.001 0.000 0.278 190 L C -0.335 176.407 176.870 -0.213 0.000 1.113 190 L CA -0.501 54.124 54.840 -0.359 0.000 0.849 190 L CB 0.430 42.148 42.059 -0.567 0.000 1.155 190 L HN 0.106 nan 8.230 nan 0.000 0.452 191 V N 4.470 124.298 119.914 -0.144 0.000 2.407 191 V HA 0.348 4.468 4.120 0.001 0.000 0.291 191 V C -0.699 175.430 176.094 0.058 0.000 1.018 191 V CA -0.607 61.702 62.300 0.016 0.000 0.842 191 V CB 1.276 33.108 31.823 0.015 0.000 0.996 191 V HN 0.441 nan 8.190 nan 0.000 0.426 192 Y N 5.665 126.154 120.300 0.315 0.000 2.335 192 Y HA 0.470 5.020 4.550 0.001 0.000 0.338 192 Y C -2.247 173.829 175.900 0.294 0.000 0.977 192 Y CA -2.762 55.512 58.100 0.290 0.000 1.114 192 Y CB 2.667 41.322 38.460 0.325 0.000 1.182 192 Y HN 0.463 nan 8.280 nan 0.000 0.463 193 P HA 0.118 nan 4.420 nan 0.000 0.281 193 P C -1.103 176.391 177.300 0.323 0.000 1.252 193 P CA -0.192 63.124 63.100 0.361 0.000 0.778 193 P CB 1.047 32.932 31.700 0.309 0.000 0.895 194 V N 0.979 121.086 119.914 0.320 0.000 2.823 194 V HA 0.611 4.732 4.120 0.001 0.000 0.312 194 V C -0.539 175.672 176.094 0.195 0.000 1.072 194 V CA -1.156 61.282 62.300 0.231 0.000 0.937 194 V CB 1.790 33.747 31.823 0.223 0.000 1.013 194 V HN 0.555 nan 8.190 nan 0.000 0.430 195 Q N 2.345 122.229 119.800 0.140 0.000 2.278 195 Q HA 0.818 5.158 4.340 0.001 0.000 0.257 195 Q C -1.236 174.842 176.000 0.131 0.000 0.928 195 Q CA -0.718 55.167 55.803 0.138 0.000 0.932 195 Q CB 1.935 30.809 28.738 0.227 0.000 1.221 195 Q HN 0.646 nan 8.270 nan 0.000 0.434 196 V N 1.961 121.794 119.914 -0.135 0.000 2.735 196 V HA 0.595 4.715 4.120 0.001 0.000 0.310 196 V C -0.058 175.806 176.094 -0.383 0.000 1.061 196 V CA -0.728 61.414 62.300 -0.264 0.000 0.913 196 V CB 2.014 33.453 31.823 -0.640 0.000 1.005 196 V HN 1.005 nan 8.190 nan 0.000 0.428 197 T N 0.367 114.906 114.554 -0.026 0.000 2.885 197 T HA 0.687 5.037 4.350 0.001 0.000 0.285 197 T C -0.540 174.276 174.700 0.193 0.000 1.019 197 T CA -0.826 61.293 62.100 0.031 0.000 1.010 197 T CB 1.912 70.714 68.868 -0.109 0.000 1.022 197 T HN 0.785 nan 8.240 nan 0.000 0.466 198 N N 0.768 119.617 118.700 0.248 0.000 2.592 198 N HA 0.396 5.137 4.740 0.001 0.000 0.292 198 N C 0.588 176.146 175.510 0.081 0.000 1.260 198 N CA -1.254 51.916 53.050 0.200 0.000 0.910 198 N CB 0.763 39.387 38.487 0.229 0.000 1.257 198 N HN 0.397 nan 8.380 nan 0.000 0.569 199 K N 0.121 120.559 120.400 0.063 0.000 2.362 199 K HA 0.005 4.326 4.320 0.001 0.000 0.200 199 K C 0.568 177.157 176.600 -0.018 0.000 1.046 199 K CA 0.769 57.065 56.287 0.014 0.000 0.952 199 K CB -0.105 32.390 32.500 -0.008 0.000 0.753 199 K HN 0.586 nan 8.250 nan 0.000 0.466 200 K N 0.572 120.955 120.400 -0.027 0.000 2.487 200 K HA 0.022 4.342 4.320 0.001 0.000 0.192 200 K C 0.103 176.662 176.600 -0.068 0.000 1.027 200 K CA 0.111 56.359 56.287 -0.066 0.000 1.054 200 K CB 0.168 32.600 32.500 -0.113 0.000 0.824 200 K HN 0.045 nan 8.250 nan 0.000 0.510 201 K N 0.327 120.699 120.400 -0.046 0.000 3.391 201 K HA -0.205 4.116 4.320 0.001 0.000 0.307 201 K C -0.653 175.912 176.600 -0.058 0.000 1.304 201 K CA 0.667 56.915 56.287 -0.065 0.000 0.904 201 K CB -1.523 30.936 32.500 -0.069 0.000 1.293 201 K HN 0.348 nan 8.250 nan 0.000 0.470 202 Q N 0.766 120.542 119.800 -0.040 0.000 2.340 202 Q HA 0.397 4.737 4.340 0.001 0.000 0.249 202 Q C -0.148 175.971 176.000 0.198 0.000 0.957 202 Q CA -0.232 55.576 55.803 0.008 0.000 0.882 202 Q CB 1.933 30.512 28.738 -0.264 0.000 1.235 202 Q HN 0.159 nan 8.270 nan 0.000 0.439 203 V N 4.184 124.236 119.914 0.230 0.000 2.547 203 V HA 0.759 4.879 4.120 0.001 0.000 0.299 203 V C -1.295 175.053 176.094 0.423 0.000 1.040 203 V CA -0.400 62.022 62.300 0.202 0.000 0.913 203 V CB 0.592 32.465 31.823 0.083 0.000 0.992 203 V HN 0.696 nan 8.190 nan 0.000 0.449 204 F N 2.683 122.752 119.950 0.198 0.000 2.662 204 F HA 0.828 5.357 4.527 0.004 0.000 0.312 204 F C -0.422 175.442 175.800 0.108 0.000 1.113 204 F CA -0.876 57.189 58.000 0.109 0.000 0.951 204 F CB 1.474 40.464 39.000 -0.016 0.000 1.344 204 F HN 0.320 nan 8.300 nan 0.000 0.462 205 S N 1.185 116.957 115.700 0.120 0.000 2.509 205 S HA 0.631 5.102 4.470 0.001 0.000 0.297 205 S C -0.724 173.949 174.600 0.121 0.000 1.118 205 S CA -0.864 57.420 58.200 0.141 0.000 1.074 205 S CB 1.508 64.875 63.200 0.278 0.000 1.038 205 S HN 0.523 nan 8.310 nan 0.000 0.498 206 K N 1.112 121.712 120.400 0.333 0.000 2.439 206 K HA 0.527 4.847 4.320 0.001 0.000 0.260 206 K C -1.261 175.745 176.600 0.677 0.000 1.032 206 K CA -0.895 55.718 56.287 0.543 0.000 0.882 206 K CB 1.305 34.150 32.500 0.575 0.000 1.420 206 K HN 0.361 nan 8.250 nan 0.000 0.455 207 I N 2.268 123.269 120.570 0.719 0.000 2.312 207 I HA 0.255 4.426 4.170 0.001 0.000 0.290 207 I C -0.618 175.806 176.117 0.511 0.000 1.008 207 I CA -0.216 61.396 61.300 0.519 0.000 1.226 207 I CB 0.168 38.391 38.000 0.372 0.000 1.371 207 I HN 0.484 nan 8.210 nan 0.000 0.468 208 F N 9.780 129.856 119.950 0.211 0.000 2.427 208 F HA 0.509 5.037 4.527 0.001 0.000 0.348 208 F C -0.867 175.161 175.800 0.380 0.000 1.125 208 F CA -0.707 57.292 58.000 -0.002 0.000 0.989 208 F CB 0.847 39.701 39.000 -0.244 0.000 1.165 208 F HN 0.427 nan 8.300 nan 0.000 0.442 209 Y N 2.638 122.877 120.300 -0.101 0.000 2.545 209 Y HA 0.732 5.283 4.550 0.000 0.000 0.348 209 Y C -1.230 174.271 175.900 -0.664 0.000 1.002 209 Y CA -1.724 56.247 58.100 -0.215 0.000 1.039 209 Y CB 1.317 39.685 38.460 -0.154 0.000 1.271 209 Y HN 0.380 nan 8.280 nan 0.000 0.467 210 S N 0.698 115.798 115.700 -0.999 0.000 2.500 210 S HA 0.417 4.887 4.470 0.001 0.000 0.301 210 S C -0.366 173.873 174.600 -0.601 0.000 1.092 210 S CA -0.641 56.837 58.200 -1.204 0.000 1.030 210 S CB 1.204 63.277 63.200 -1.878 0.000 1.031 210 S HN 0.852 nan 8.310 nan 0.000 0.483 211 E N 1.524 121.454 120.200 -0.451 0.000 2.498 211 E HA 0.097 4.448 4.350 0.001 0.000 0.203 211 E C -0.655 175.794 176.600 -0.251 0.000 1.013 211 E CA 0.067 56.318 56.400 -0.248 0.000 0.927 211 E CB 0.302 29.916 29.700 -0.144 0.000 1.012 211 E HN 0.709 nan 8.360 nan 0.000 0.482 212 D N 0.275 120.470 120.400 -0.341 0.000 2.945 212 D HA 0.030 4.670 4.640 0.001 0.000 0.366 212 D C -0.370 175.792 176.300 -0.231 0.000 1.352 212 D CA -0.431 53.423 54.000 -0.244 0.000 0.810 212 D CB 0.035 40.711 40.800 -0.207 0.000 1.170 212 D HN -0.210 nan 8.370 nan 0.000 0.461 213 E N 0.094 120.141 120.200 -0.255 0.000 2.539 213 E HA -0.208 4.143 4.350 0.001 0.000 0.253 213 E C 1.168 177.700 176.600 -0.113 0.000 1.145 213 E CA 1.158 57.455 56.400 -0.173 0.000 0.738 213 E CB -2.017 27.675 29.700 -0.013 0.000 1.308 213 E HN 0.932 nan 8.360 nan 0.000 0.409 214 G N -0.526 108.059 108.800 -0.357 0.000 2.157 214 G HA2 -0.392 3.568 3.960 0.001 0.000 0.248 214 G HA3 -0.392 3.568 3.960 0.001 0.000 0.248 214 G C 0.978 175.878 174.900 -0.001 0.000 0.979 214 G CA 0.659 45.646 45.100 -0.189 0.000 0.650 214 G HN 0.284 nan 8.290 nan 0.000 0.529 215 K N 0.250 120.571 120.400 -0.133 0.000 2.002 215 K HA -0.005 4.316 4.320 0.001 0.000 0.209 215 K C 1.640 178.204 176.600 -0.060 0.000 1.048 215 K CA 1.968 58.247 56.287 -0.014 0.000 0.930 215 K CB -0.307 32.171 32.500 -0.037 0.000 0.714 215 K HN 0.778 nan 8.250 nan 0.000 0.438 216 T N -2.918 111.381 114.554 -0.426 0.000 2.916 216 T HA 0.527 4.878 4.350 0.001 0.000 0.292 216 T C -1.064 172.856 174.700 -1.300 0.000 1.064 216 T CA -0.986 60.595 62.100 -0.865 0.000 1.011 216 T CB 1.487 70.095 68.868 -0.434 0.000 1.152 216 T HN 0.127 nan 8.240 nan 0.000 0.510 217 W N 0.049 120.483 121.300 -1.443 0.000 2.962 217 W HA 0.742 5.402 4.660 0.000 0.000 0.341 217 W C -0.530 175.558 176.519 -0.718 0.000 1.155 217 W CA -0.784 55.918 57.345 -1.073 0.000 1.165 217 W CB 2.134 30.849 29.460 -1.242 0.000 1.435 217 W HN 0.731 nan 8.180 nan 0.000 0.546 218 K N 1.100 121.145 120.400 -0.592 0.000 2.508 218 K HA 0.613 4.933 4.320 0.001 0.000 0.260 218 K C -1.647 174.840 176.600 -0.188 0.000 0.949 218 K CA -0.949 55.137 56.287 -0.335 0.000 0.834 218 K CB 2.308 34.448 32.500 -0.601 0.000 1.365 218 K HN 0.164 nan 8.250 nan 0.000 0.437 219 F N 0.592 120.661 119.950 0.197 0.000 2.443 219 F HA 0.398 4.926 4.527 0.002 0.000 0.335 219 F C 1.150 177.173 175.800 0.372 0.000 1.104 219 F CA -0.293 57.926 58.000 0.366 0.000 1.013 219 F CB 1.732 40.925 39.000 0.321 0.000 1.136 219 F HN 0.621 nan 8.300 nan 0.000 0.470 220 G N 1.917 111.100 108.800 0.638 0.000 2.491 220 G HA2 0.095 4.056 3.960 0.001 0.000 0.242 220 G HA3 0.095 4.056 3.960 0.001 0.000 0.242 220 G C 0.677 175.820 174.900 0.406 0.000 1.266 220 G CA -0.439 44.960 45.100 0.499 0.000 0.844 220 G HN 0.839 nan 8.290 nan 0.000 0.571 221 K N 1.185 121.753 120.400 0.281 0.000 2.296 221 K HA 0.077 4.398 4.320 0.001 0.000 0.200 221 K C 1.442 178.096 176.600 0.089 0.000 1.048 221 K CA 0.718 57.102 56.287 0.162 0.000 0.966 221 K CB -0.197 32.370 32.500 0.112 0.000 0.754 221 K HN 0.521 nan 8.250 nan 0.000 0.466 222 G N 0.862 109.754 108.800 0.153 0.000 2.563 222 G HA2 0.374 4.335 3.960 0.001 0.000 0.283 222 G HA3 0.374 4.335 3.960 0.001 0.000 0.283 222 G C -0.888 173.689 174.900 -0.538 0.000 1.309 222 G CA -0.574 44.489 45.100 -0.061 0.000 1.022 222 G HN 0.486 nan 8.290 nan 0.000 0.501 223 R N -2.348 117.326 120.500 -1.377 0.000 2.753 223 R HA 0.469 4.809 4.340 0.001 0.000 0.272 223 R C -0.189 175.069 176.300 -1.738 0.000 1.034 223 R CA -0.270 54.872 56.100 -1.598 0.000 0.869 223 R CB 0.235 30.138 30.300 -0.661 0.000 1.264 223 R HN 0.815 nan 8.270 nan 0.000 0.481 224 S N 1.185 115.957 115.700 -1.547 0.000 2.633 224 S HA 0.609 5.079 4.470 0.001 0.000 0.257 224 S C 0.746 175.018 174.600 -0.548 0.000 1.265 224 S CA -0.345 57.230 58.200 -1.042 0.000 0.980 224 S CB 0.502 63.507 63.200 -0.325 0.000 1.017 224 S HN 0.921 nan 8.310 nan 0.000 0.577 225 A N -0.129 122.603 122.820 -0.147 0.000 2.386 225 A HA 0.521 4.841 4.320 0.001 0.000 0.246 225 A C -0.076 177.448 177.584 -0.101 0.000 1.089 225 A CA -0.610 51.346 52.037 -0.134 0.000 0.790 225 A CB -0.580 18.480 19.000 0.101 0.000 1.042 225 A HN 0.650 nan 8.150 nan 0.000 0.497 226 F N -0.080 119.912 119.950 0.069 0.000 2.459 226 F HA 0.436 4.962 4.527 -0.002 0.000 0.346 226 F C 1.656 177.531 175.800 0.125 0.000 1.128 226 F CA 1.412 59.476 58.000 0.106 0.000 1.268 226 F CB 0.830 39.865 39.000 0.059 0.000 1.161 226 F HN 0.888 nan 8.300 nan 0.000 0.583 227 G N 0.558 109.566 108.800 0.346 0.000 2.194 227 G HA2 -0.261 3.699 3.960 0.001 0.000 0.236 227 G HA3 -0.261 3.699 3.960 0.001 0.000 0.236 227 G C -0.393 174.636 174.900 0.213 0.000 0.987 227 G CA -0.386 44.859 45.100 0.241 0.000 0.635 227 G HN 0.728 nan 8.290 nan 0.000 0.520 228 C N 3.008 122.446 119.300 0.229 0.000 2.281 228 C HA 0.751 5.211 4.460 0.001 0.000 0.336 228 C C 1.138 176.258 174.990 0.216 0.000 1.217 228 C CA 0.058 59.209 59.018 0.223 0.000 1.730 228 C CB -0.244 27.653 27.740 0.262 0.000 2.338 228 C HN 0.851 nan 8.230 nan 0.000 0.521 229 S N 1.350 117.173 115.700 0.204 0.000 2.798 229 S HA 0.561 5.032 4.470 0.001 0.000 0.312 229 S C -0.360 174.359 174.600 0.198 0.000 1.122 229 S CA -0.682 57.646 58.200 0.213 0.000 0.949 229 S CB 0.329 63.666 63.200 0.229 0.000 1.235 229 S HN 0.758 nan 8.310 nan 0.000 0.552 230 E N 1.032 121.348 120.200 0.193 0.000 2.024 230 E HA -0.142 4.209 4.350 0.001 0.000 0.171 230 E C -2.209 174.480 176.600 0.148 0.000 1.417 230 E CA 0.284 56.770 56.400 0.143 0.000 0.650 230 E CB -1.628 28.126 29.700 0.090 0.000 1.044 230 E HN 0.507 nan 8.360 nan 0.000 0.308 231 P HA 0.144 nan 4.420 nan 0.000 0.275 231 P C -0.411 177.017 177.300 0.213 0.000 1.228 231 P CA -0.173 63.063 63.100 0.227 0.000 0.786 231 P CB 1.622 33.502 31.700 0.300 0.000 0.927 232 V N 1.720 121.771 119.914 0.229 0.000 2.709 232 V HA 0.749 4.870 4.120 0.001 0.000 0.308 232 V C -0.909 175.407 176.094 0.370 0.000 1.062 232 V CA -0.711 61.750 62.300 0.270 0.000 0.901 232 V CB 1.610 33.586 31.823 0.254 0.000 1.003 232 V HN 0.857 nan 8.190 nan 0.000 0.425 233 A N 6.120 129.142 122.820 0.336 0.000 2.423 233 A HA 1.022 5.343 4.320 0.001 0.000 0.304 233 A C -1.318 176.379 177.584 0.189 0.000 1.104 233 A CA -0.586 51.633 52.037 0.304 0.000 0.757 233 A CB 1.828 20.950 19.000 0.202 0.000 1.313 233 A HN 1.760 nan 8.150 nan 0.000 0.423 234 L N -1.769 119.516 121.223 0.104 0.000 2.479 234 L HA 0.840 5.180 4.340 0.001 0.000 0.255 234 L C -0.639 176.257 176.870 0.044 0.000 1.026 234 L CA -0.616 54.220 54.840 -0.006 0.000 0.842 234 L CB 1.624 43.542 42.059 -0.235 0.000 1.444 234 L HN 0.744 nan 8.230 nan 0.000 0.409 235 E N 1.080 121.315 120.200 0.059 0.000 2.166 235 E HA 0.397 4.747 4.350 0.001 0.000 0.275 235 E C -2.022 174.691 176.600 0.189 0.000 0.941 235 E CA -0.687 55.764 56.400 0.086 0.000 0.784 235 E CB 1.352 31.068 29.700 0.027 0.000 1.115 235 E HN 0.698 nan 8.360 nan 0.000 0.399 236 W N 5.773 127.050 121.300 -0.038 0.000 2.884 236 W HA 0.176 4.837 4.660 0.001 0.000 0.336 236 W C -1.004 175.503 176.519 -0.021 0.000 1.038 236 W CA -0.499 56.830 57.345 -0.025 0.000 1.247 236 W CB 0.889 30.340 29.460 -0.015 0.000 1.351 236 W HN 0.806 nan 8.180 nan 0.000 0.446 237 E N 3.360 123.348 120.200 -0.354 0.000 2.269 237 E HA -0.229 4.121 4.350 0.001 0.000 0.223 237 E C 0.995 177.539 176.600 -0.094 0.000 1.244 237 E CA 1.150 57.387 56.400 -0.272 0.000 0.713 237 E CB -1.385 28.127 29.700 -0.313 0.000 1.178 237 E HN 0.997 nan 8.360 nan 0.000 0.370 238 G N -0.237 108.522 108.800 -0.069 0.000 2.175 238 G HA2 -0.327 3.633 3.960 0.001 0.000 0.244 238 G HA3 -0.327 3.633 3.960 0.001 0.000 0.244 238 G C 0.099 174.987 174.900 -0.020 0.000 0.982 238 G CA 0.629 45.702 45.100 -0.045 0.000 0.641 238 G HN 0.286 nan 8.290 nan 0.000 0.527 239 K N -0.233 120.179 120.400 0.021 0.000 2.328 239 K HA 0.729 5.050 4.320 0.001 0.000 0.246 239 K C 0.052 176.669 176.600 0.029 0.000 0.955 239 K CA -0.986 55.313 56.287 0.019 0.000 0.817 239 K CB 2.085 34.616 32.500 0.051 0.000 1.208 239 K HN 0.084 nan 8.250 nan 0.000 0.432 240 L N 3.086 124.290 121.223 -0.032 0.000 2.331 240 L HA 0.291 4.631 4.340 0.001 0.000 0.278 240 L C -0.375 176.492 176.870 -0.004 0.000 1.106 240 L CA -0.679 54.141 54.840 -0.033 0.000 0.824 240 L CB 0.442 42.432 42.059 -0.115 0.000 1.142 240 L HN 0.368 nan 8.230 nan 0.000 0.443 241 I N 5.129 125.746 120.570 0.078 0.000 2.355 241 I HA 0.317 4.487 4.170 0.001 0.000 0.288 241 I C -0.079 176.171 176.117 0.221 0.000 0.999 241 I CA -0.533 60.855 61.300 0.146 0.000 1.163 241 I CB 1.312 39.451 38.000 0.232 0.000 1.316 241 I HN 0.384 nan 8.210 nan 0.000 0.454 242 I N 6.416 127.076 120.570 0.150 0.000 2.328 242 I HA 0.268 4.438 4.170 0.001 0.000 0.287 242 I C 0.397 176.650 176.117 0.227 0.000 1.012 242 I CA -0.106 61.313 61.300 0.199 0.000 1.195 242 I CB 0.567 38.623 38.000 0.093 0.000 1.350 242 I HN 0.396 nan 8.210 nan 0.000 0.464 243 N N 5.090 123.888 118.700 0.163 0.000 2.437 243 N HA 0.350 5.091 4.740 0.001 0.000 0.259 243 N C -0.652 174.903 175.510 0.076 0.000 0.983 243 N CA -0.212 52.807 53.050 -0.051 0.000 0.937 243 N CB 1.239 39.384 38.487 -0.569 0.000 1.122 243 N HN 0.671 nan 8.380 nan 0.000 0.499 244 T N 0.416 115.029 114.554 0.098 0.000 2.885 244 T HA 0.467 4.817 4.350 0.001 0.000 0.285 244 T C 0.072 174.846 174.700 0.124 0.000 1.019 244 T CA -0.986 61.212 62.100 0.164 0.000 1.010 244 T CB 1.700 70.728 68.868 0.265 0.000 1.022 244 T HN 0.515 nan 8.240 nan 0.000 0.466 245 R N 1.734 122.321 120.500 0.145 0.000 2.308 245 R HA 0.599 4.939 4.340 0.001 0.000 0.305 245 R C -1.452 174.929 176.300 0.134 0.000 1.053 245 R CA -0.587 55.597 56.100 0.140 0.000 0.957 245 R CB 0.611 30.995 30.300 0.140 0.000 1.022 245 R HN 0.577 nan 8.270 nan 0.000 0.461 246 V N 4.669 124.646 119.914 0.105 0.000 2.419 246 V HA 0.151 4.272 4.120 0.001 0.000 0.287 246 V C -0.768 175.356 176.094 0.050 0.000 1.017 246 V CA -1.067 61.293 62.300 0.100 0.000 0.844 246 V CB 1.421 33.301 31.823 0.096 0.000 1.011 246 V HN 0.834 nan 8.190 nan 0.000 0.429 247 D N 3.633 124.040 120.400 0.013 0.000 2.488 247 D HA 0.176 4.817 4.640 0.001 0.000 0.238 247 D C 0.528 176.748 176.300 -0.133 0.000 1.138 247 D CA 0.781 54.648 54.000 -0.222 0.000 0.873 247 D CB 0.298 40.908 40.800 -0.317 0.000 1.183 247 D HN 0.701 nan 8.370 nan 0.000 0.458 248 Y N -0.555 119.759 120.300 0.024 0.000 4.668 248 Y HA -0.317 4.233 4.550 0.001 0.000 0.234 248 Y C 0.822 176.731 175.900 0.015 0.000 1.056 248 Y CA 0.567 58.671 58.100 0.006 0.000 2.025 248 Y CB -1.003 37.458 38.460 0.002 0.000 1.613 248 Y HN 0.319 nan 8.280 nan 0.000 0.653 249 R N -0.287 120.282 120.500 0.114 0.000 2.752 249 R HA 0.512 4.853 4.340 0.001 0.000 0.271 249 R C -0.342 175.974 176.300 0.026 0.000 1.026 249 R CA -1.224 54.920 56.100 0.074 0.000 0.901 249 R CB 1.187 31.536 30.300 0.081 0.000 1.243 249 R HN 0.096 nan 8.270 nan 0.000 0.463 250 R N 1.390 121.886 120.500 -0.006 0.000 2.594 250 R HA 0.237 4.578 4.340 0.001 0.000 0.272 250 R C 0.172 176.438 176.300 -0.056 0.000 1.074 250 R CA -0.359 55.709 56.100 -0.053 0.000 1.105 250 R CB 0.501 30.739 30.300 -0.104 0.000 1.008 250 R HN 0.247 nan 8.270 nan 0.000 0.472 251 R N 1.804 122.263 120.500 -0.069 0.000 2.570 251 R HA 0.079 4.419 4.340 0.001 0.000 0.277 251 R C -0.130 176.103 176.300 -0.112 0.000 1.039 251 R CA 0.105 56.173 56.100 -0.053 0.000 1.065 251 R CB 0.299 30.574 30.300 -0.041 0.000 0.964 251 R HN 0.334 nan 8.270 nan 0.000 0.428 252 L N 3.651 124.820 121.223 -0.089 0.000 2.289 252 L HA 0.403 4.744 4.340 0.001 0.000 0.285 252 L C -0.448 176.259 176.870 -0.272 0.000 1.049 252 L CA -0.850 53.865 54.840 -0.208 0.000 0.804 252 L CB 1.631 43.607 42.059 -0.138 0.000 1.195 252 L HN 0.312 nan 8.230 nan 0.000 0.428 253 V N 3.378 123.053 119.914 -0.399 0.000 2.495 253 V HA 0.452 4.573 4.120 0.001 0.000 0.298 253 V C -0.814 175.059 176.094 -0.369 0.000 1.031 253 V CA -0.693 61.442 62.300 -0.275 0.000 0.871 253 V CB 1.608 33.320 31.823 -0.185 0.000 0.988 253 V HN 0.446 nan 8.190 nan 0.000 0.432 254 Y N 1.563 121.908 120.300 0.075 0.000 2.549 254 Y HA 0.646 5.195 4.550 -0.000 0.000 0.339 254 Y C 0.279 176.159 175.900 -0.033 0.000 1.053 254 Y CA -0.848 57.297 58.100 0.074 0.000 1.105 254 Y CB 2.038 40.641 38.460 0.239 0.000 1.258 254 Y HN 0.550 nan 8.280 nan 0.000 0.478 255 E N 0.614 120.891 120.200 0.128 0.000 2.248 255 E HA 0.537 4.888 4.350 0.001 0.000 0.267 255 E C -1.439 175.109 176.600 -0.087 0.000 0.877 255 E CA -0.795 55.610 56.400 0.008 0.000 0.759 255 E CB 2.229 31.953 29.700 0.039 0.000 1.182 255 E HN 0.385 nan 8.360 nan 0.000 0.418 256 S N 1.043 116.638 115.700 -0.176 0.000 2.677 256 S HA 0.251 4.722 4.470 0.001 0.000 0.283 256 S C -0.188 174.335 174.600 -0.128 0.000 1.159 256 S CA -0.566 57.507 58.200 -0.211 0.000 1.001 256 S CB 1.269 64.193 63.200 -0.461 0.000 1.032 256 S HN 0.383 nan 8.310 nan 0.000 0.487 257 S N 2.512 118.168 115.700 -0.074 0.000 2.575 257 S HA 0.107 4.577 4.470 0.001 0.000 0.215 257 S C -0.074 174.484 174.600 -0.071 0.000 0.966 257 S CA -0.069 58.096 58.200 -0.058 0.000 0.911 257 S CB -0.120 63.063 63.200 -0.029 0.000 0.780 257 S HN 0.858 nan 8.310 nan 0.000 0.514 258 D N 0.202 120.554 120.400 -0.081 0.000 2.938 258 D HA 0.223 4.864 4.640 0.001 0.000 0.369 258 D C 0.171 176.398 176.300 -0.121 0.000 1.301 258 D CA -0.537 53.417 54.000 -0.077 0.000 0.805 258 D CB -0.333 40.455 40.800 -0.021 0.000 1.161 258 D HN -0.166 nan 8.370 nan 0.000 0.474 259 M N 1.066 120.534 119.600 -0.220 0.000 2.206 259 M HA -0.159 4.321 4.480 0.001 0.000 0.197 259 M C 1.220 177.428 176.300 -0.154 0.000 0.375 259 M CA 1.140 56.216 55.300 -0.373 0.000 0.410 259 M CB -2.104 29.957 32.600 -0.897 0.000 1.204 259 M HN 0.869 nan 8.290 nan 0.000 0.932 260 G N -0.612 108.137 108.800 -0.085 0.000 2.168 260 G HA2 -0.383 3.577 3.960 0.001 0.000 0.263 260 G HA3 -0.383 3.577 3.960 0.001 0.000 0.263 260 G C 0.681 175.801 174.900 0.366 0.000 0.977 260 G CA 0.981 46.155 45.100 0.124 0.000 0.659 260 G HN 0.551 nan 8.290 nan 0.000 0.533 261 N N -0.080 118.738 118.700 0.198 0.000 2.188 261 N HA 0.083 4.824 4.740 0.001 0.000 0.184 261 N C 0.874 176.527 175.510 0.238 0.000 1.018 261 N CA 1.812 54.989 53.050 0.212 0.000 0.858 261 N CB 0.123 38.687 38.487 0.129 0.000 0.989 261 N HN 0.483 nan 8.380 nan 0.000 0.426 262 T N -0.416 114.270 114.554 0.220 0.000 2.861 262 T HA 0.403 4.754 4.350 0.001 0.000 0.287 262 T C -1.363 173.508 174.700 0.285 0.000 1.003 262 T CA -0.552 61.686 62.100 0.230 0.000 0.977 262 T CB 1.229 70.167 68.868 0.117 0.000 0.996 262 T HN 0.044 nan 8.240 nan 0.000 0.448 263 W N 2.270 123.569 121.300 -0.002 0.000 2.736 263 W HA 0.778 5.440 4.660 0.003 0.000 0.335 263 W C -1.072 175.481 176.519 0.057 0.000 1.059 263 W CA -0.946 56.400 57.345 0.002 0.000 1.226 263 W CB 1.267 30.641 29.460 -0.144 0.000 1.416 263 W HN 0.308 nan 8.180 nan 0.000 0.505 264 L N 2.160 123.585 121.223 0.337 0.000 2.438 264 L HA 0.320 4.661 4.340 0.001 0.000 0.270 264 L C -0.009 177.074 176.870 0.355 0.000 0.972 264 L CA -1.364 53.644 54.840 0.280 0.000 0.831 264 L CB 1.802 43.947 42.059 0.143 0.000 1.273 264 L HN 0.516 nan 8.230 nan 0.000 0.405 265 E N 2.668 123.056 120.200 0.312 0.000 2.452 265 E HA 0.231 4.582 4.350 0.001 0.000 0.261 265 E C -0.004 176.556 176.600 -0.066 0.000 0.987 265 E CA 0.162 56.568 56.400 0.010 0.000 0.926 265 E CB 1.004 30.645 29.700 -0.098 0.000 0.934 265 E HN 0.725 nan 8.360 nan 0.000 0.452 266 A N 5.163 127.901 122.820 -0.136 0.000 3.033 266 A HA 0.087 4.407 4.320 0.001 0.000 0.250 266 A C 1.320 178.836 177.584 -0.114 0.000 1.633 266 A CA 0.172 52.154 52.037 -0.092 0.000 1.290 266 A CB -0.971 17.979 19.000 -0.084 0.000 1.048 266 A HN 0.632 nan 8.150 nan 0.000 0.648 267 V N -1.973 117.849 119.914 -0.154 0.000 2.469 267 V HA -0.119 4.001 4.120 0.001 0.000 0.251 267 V C 1.787 177.899 176.094 0.030 0.000 1.064 267 V CA 2.244 64.423 62.300 -0.202 0.000 1.066 267 V CB -1.055 30.321 31.823 -0.745 0.000 0.667 267 V HN 0.516 nan 8.190 nan 0.000 0.461 268 G N -0.364 108.454 108.800 0.030 0.000 3.088 268 G HA2 0.252 4.213 3.960 0.001 0.000 0.212 268 G HA3 0.252 4.213 3.960 0.001 0.000 0.212 268 G C 1.073 176.002 174.900 0.047 0.000 1.173 268 G CA 1.070 46.233 45.100 0.105 0.000 0.779 268 G HN 0.764 nan 8.290 nan 0.000 0.540 269 T N -3.271 111.294 114.554 0.019 0.000 3.511 269 T HA 0.200 4.550 4.350 0.001 0.000 0.220 269 T C 1.731 176.376 174.700 -0.092 0.000 0.962 269 T CA -0.107 61.966 62.100 -0.045 0.000 1.099 269 T CB 0.027 68.838 68.868 -0.096 0.000 1.197 269 T HN -0.014 nan 8.240 nan 0.000 0.343 270 L N 1.139 122.266 121.223 -0.159 0.000 2.672 270 L HA 0.447 4.788 4.340 0.001 0.000 0.236 270 L C 1.120 177.773 176.870 -0.363 0.000 1.092 270 L CA -0.174 54.484 54.840 -0.303 0.000 0.887 270 L CB 0.605 42.543 42.059 -0.202 0.000 1.168 270 L HN 0.295 nan 8.230 nan 0.000 0.502 271 S N 0.716 116.248 115.700 -0.279 0.000 2.549 271 S HA 0.154 4.624 4.470 0.001 0.000 0.283 271 S C 0.953 175.266 174.600 -0.479 0.000 1.320 271 S CA -0.004 57.995 58.200 -0.334 0.000 1.058 271 S CB 0.113 63.125 63.200 -0.314 0.000 0.882 271 S HN 0.413 nan 8.310 nan 0.000 0.498 272 R N 1.443 121.660 120.500 -0.472 0.000 3.977 272 R HA -0.164 4.177 4.340 0.001 0.000 0.428 272 R C 0.993 176.955 176.300 -0.564 0.000 1.079 272 R CA 0.922 56.691 56.100 -0.552 0.000 1.269 272 R CB -2.746 27.046 30.300 -0.847 0.000 1.856 272 R HN 0.500 nan 8.270 nan 0.000 0.551 273 V N -0.138 119.400 119.914 -0.628 0.000 2.343 273 V HA -0.157 3.964 4.120 0.001 0.000 0.247 273 V C 1.259 176.931 176.094 -0.703 0.000 1.051 273 V CA 1.699 63.539 62.300 -0.768 0.000 1.036 273 V CB -0.181 30.874 31.823 -1.281 0.000 0.654 273 V HN 0.260 nan 8.190 nan 0.000 0.451 274 W N 0.841 121.877 121.300 -0.441 0.000 2.316 274 W HA 0.599 5.260 4.660 0.000 0.000 0.308 274 W C 0.497 176.829 176.519 -0.312 0.000 1.106 274 W CA -0.693 56.396 57.345 -0.427 0.000 1.262 274 W CB 0.515 29.657 29.460 -0.530 0.000 1.233 274 W HN 0.146 nan 8.180 nan 0.000 0.447 275 G N 4.119 112.902 108.800 -0.028 0.000 2.420 275 G HA2 0.339 4.299 3.960 0.001 0.000 0.284 275 G HA3 0.339 4.299 3.960 0.001 0.000 0.284 275 G C -1.737 173.144 174.900 -0.032 0.000 1.177 275 G CA -1.050 44.034 45.100 -0.027 0.000 0.841 275 G HN 0.153 nan 8.290 nan 0.000 0.527 276 P HA 0.069 nan 4.420 nan 0.000 0.245 276 P C 0.371 177.769 177.300 0.162 0.000 1.206 276 P CA 0.489 63.640 63.100 0.085 0.000 0.781 276 P CB 0.455 32.199 31.700 0.072 0.000 0.994 277 S N -3.765 112.011 115.700 0.126 0.000 2.615 277 S HA 0.417 4.888 4.470 0.001 0.000 0.268 277 S C -2.676 171.999 174.600 0.124 0.000 1.146 277 S CA -1.249 57.043 58.200 0.154 0.000 0.818 277 S CB 1.207 64.471 63.200 0.107 0.000 1.111 277 S HN -0.355 nan 8.310 nan 0.000 0.465 278 P HA -0.084 nan 4.420 nan 0.000 0.216 278 P C 0.590 177.896 177.300 0.009 0.000 1.154 278 P CA 1.627 64.740 63.100 0.023 0.000 0.865 278 P CB -0.013 31.614 31.700 -0.122 0.000 0.789 279 K N -1.846 118.561 120.400 0.012 0.000 2.372 279 K HA 0.227 4.547 4.320 0.001 0.000 0.200 279 K C 0.348 176.963 176.600 0.026 0.000 1.022 279 K CA 0.022 56.314 56.287 0.008 0.000 1.125 279 K CB 0.031 32.530 32.500 -0.001 0.000 0.855 279 K HN -0.159 nan 8.250 nan 0.000 0.524 280 S N 2.557 118.280 115.700 0.039 0.000 3.549 280 S HA -0.130 4.341 4.470 0.001 0.000 0.366 280 S C 0.025 174.666 174.600 0.068 0.000 1.012 280 S CA 1.127 59.353 58.200 0.043 0.000 1.141 280 S CB -1.154 62.060 63.200 0.023 0.000 0.910 280 S HN 0.662 nan 8.310 nan 0.000 0.471 281 N N -0.293 118.459 118.700 0.086 0.000 2.377 281 N HA 0.175 4.916 4.740 0.001 0.000 0.259 281 N C -0.213 175.449 175.510 0.255 0.000 1.332 281 N CA -0.501 52.637 53.050 0.145 0.000 0.877 281 N CB 0.435 38.965 38.487 0.073 0.000 1.299 281 N HN 0.303 nan 8.380 nan 0.000 0.501 282 Q N -0.113 119.775 119.800 0.146 0.000 2.668 282 Q HA 0.583 4.923 4.340 0.001 0.000 0.298 282 Q C -2.890 172.857 176.000 -0.422 0.000 1.071 282 Q CA -1.738 54.058 55.803 -0.012 0.000 0.789 282 Q CB 1.031 29.735 28.738 -0.056 0.000 1.497 282 Q HN 0.026 nan 8.270 nan 0.000 0.460 283 P HA 0.068 nan 4.420 nan 0.000 0.268 283 P C -0.112 177.045 177.300 -0.239 0.000 1.205 283 P CA 0.364 63.061 63.100 -0.672 0.000 0.771 283 P CB 0.361 31.489 31.700 -0.954 0.000 0.858 284 G N 1.144 109.889 108.800 -0.093 0.000 2.509 284 G HA2 0.484 4.445 3.960 0.001 0.000 0.269 284 G HA3 0.484 4.445 3.960 0.001 0.000 0.269 284 G C -0.574 174.411 174.900 0.141 0.000 1.416 284 G CA -0.235 44.937 45.100 0.120 0.000 1.052 284 G HN 0.551 nan 8.290 nan 0.000 0.542 285 S N -2.207 113.584 115.700 0.151 0.000 2.638 285 S HA 0.393 4.864 4.470 0.001 0.000 0.274 285 S C -0.795 173.681 174.600 -0.207 0.000 1.157 285 S CA -0.556 57.591 58.200 -0.088 0.000 0.826 285 S CB 1.748 64.662 63.200 -0.477 0.000 1.139 285 S HN 0.721 nan 8.310 nan 0.000 0.474 286 Q N 1.478 120.920 119.800 -0.596 0.000 2.394 286 Q HA 0.457 4.797 4.340 0.001 0.000 0.248 286 Q C -1.105 174.630 176.000 -0.442 0.000 0.992 286 Q CA 0.453 55.859 55.803 -0.661 0.000 0.888 286 Q CB 0.946 28.854 28.738 -1.384 0.000 1.257 286 Q HN 0.632 nan 8.270 nan 0.000 0.462 287 S N 1.390 116.938 115.700 -0.254 0.000 2.546 287 S HA 0.301 4.771 4.470 0.001 0.000 0.274 287 S C -1.245 173.276 174.600 -0.131 0.000 1.121 287 S CA -0.584 57.460 58.200 -0.260 0.000 0.887 287 S CB 1.880 64.951 63.200 -0.215 0.000 1.094 287 S HN 0.623 nan 8.310 nan 0.000 0.474 288 S N 1.728 117.335 115.700 -0.154 0.000 2.525 288 S HA 0.765 5.235 4.470 0.001 0.000 0.278 288 S C -1.413 173.302 174.600 0.192 0.000 1.234 288 S CA -0.266 57.952 58.200 0.029 0.000 1.058 288 S CB 0.172 63.389 63.200 0.029 0.000 0.983 288 S HN 0.520 nan 8.310 nan 0.000 0.495 289 F N 4.247 124.245 119.950 0.081 0.000 3.051 289 F HA 0.403 4.931 4.527 0.001 0.000 0.363 289 F C -0.467 175.421 175.800 0.147 0.000 1.257 289 F CA -0.381 57.716 58.000 0.162 0.000 1.126 289 F CB 1.135 40.269 39.000 0.223 0.000 1.476 289 F HN 0.654 nan 8.300 nan 0.000 0.576 290 T N 1.786 116.309 114.554 -0.052 0.000 2.906 290 T HA 0.914 5.264 4.350 0.001 0.000 0.295 290 T C -0.758 173.873 174.700 -0.115 0.000 1.075 290 T CA -0.860 61.193 62.100 -0.079 0.000 1.005 290 T CB 1.917 70.821 68.868 0.061 0.000 1.136 290 T HN 0.843 nan 8.240 nan 0.000 0.498 291 A N 1.667 124.465 122.820 -0.038 0.000 2.276 291 A HA 0.816 5.136 4.320 0.001 0.000 0.316 291 A C 0.201 177.857 177.584 0.120 0.000 1.229 291 A CA -0.626 51.464 52.037 0.088 0.000 0.851 291 A CB 0.211 19.326 19.000 0.193 0.000 1.165 291 A HN 1.751 nan 8.150 nan 0.000 0.513 292 V N -0.267 119.727 119.914 0.135 0.000 3.160 292 V HA 0.861 4.981 4.120 0.001 0.000 0.310 292 V C -0.295 175.861 176.094 0.103 0.000 1.181 292 V CA -0.689 61.683 62.300 0.120 0.000 1.047 292 V CB 1.525 33.397 31.823 0.082 0.000 1.068 292 V HN 0.668 nan 8.190 nan 0.000 0.441 293 T N 2.708 117.329 114.554 0.112 0.000 2.794 293 T HA 0.773 5.123 4.350 0.001 0.000 0.280 293 T C -0.453 174.284 174.700 0.063 0.000 0.987 293 T CA -0.017 62.140 62.100 0.095 0.000 0.993 293 T CB 0.741 69.674 68.868 0.108 0.000 0.939 293 T HN 0.648 nan 8.240 nan 0.000 0.449 294 I N 2.744 123.318 120.570 0.006 0.000 2.500 294 I HA 0.255 4.426 4.170 0.001 0.000 0.286 294 I C -0.263 175.870 176.117 0.028 0.000 1.063 294 I CA -0.726 60.554 61.300 -0.032 0.000 1.062 294 I CB 1.671 39.532 38.000 -0.232 0.000 1.223 294 I HN 0.589 nan 8.210 nan 0.000 0.435 295 E N 4.685 124.928 120.200 0.070 0.000 2.252 295 E HA -0.249 4.102 4.350 0.001 0.000 0.218 295 E C 1.041 177.670 176.600 0.048 0.000 1.253 295 E CA 1.038 57.469 56.400 0.051 0.000 0.705 295 E CB -1.320 28.393 29.700 0.023 0.000 1.172 295 E HN 1.232 nan 8.360 nan 0.000 0.369 296 G N -0.193 108.642 108.800 0.058 0.000 2.212 296 G HA2 -0.391 3.570 3.960 0.001 0.000 0.266 296 G HA3 -0.391 3.570 3.960 0.001 0.000 0.266 296 G C 0.309 175.245 174.900 0.059 0.000 0.978 296 G CA 0.667 45.798 45.100 0.052 0.000 0.632 296 G HN 0.398 nan 8.290 nan 0.000 0.537 297 M N 0.838 120.481 119.600 0.072 0.000 2.129 297 M HA 0.633 5.114 4.480 0.001 0.000 0.348 297 M C 0.401 176.772 176.300 0.119 0.000 1.116 297 M CA -1.013 54.350 55.300 0.106 0.000 1.022 297 M CB 0.809 33.494 32.600 0.142 0.000 1.599 297 M HN 0.186 nan 8.290 nan 0.000 0.449 298 R N 4.128 124.700 120.500 0.119 0.000 2.347 298 R HA 0.513 4.853 4.340 0.001 0.000 0.304 298 R C -1.201 175.333 176.300 0.390 0.000 1.072 298 R CA -0.129 56.057 56.100 0.143 0.000 0.980 298 R CB 0.400 30.660 30.300 -0.067 0.000 0.986 298 R HN 0.575 nan 8.270 nan 0.000 0.448 299 V N 0.997 121.162 119.914 0.417 0.000 3.202 299 V HA 0.614 4.735 4.120 0.001 0.000 0.306 299 V C -0.763 175.501 176.094 0.283 0.000 1.283 299 V CA -1.250 61.299 62.300 0.414 0.000 1.065 299 V CB 2.358 34.343 31.823 0.270 0.000 1.079 299 V HN 0.703 nan 8.190 nan 0.000 0.448 300 M N 1.932 121.609 119.600 0.129 0.000 2.383 300 M HA 0.668 5.149 4.480 0.001 0.000 0.325 300 M C -1.335 175.069 176.300 0.174 0.000 1.092 300 M CA -0.448 54.880 55.300 0.047 0.000 0.961 300 M CB 2.130 34.651 32.600 -0.133 0.000 1.672 300 M HN 0.574 nan 8.290 nan 0.000 0.438 301 L N 2.726 124.055 121.223 0.177 0.000 2.329 301 L HA 0.694 5.034 4.340 0.001 0.000 0.279 301 L C -1.299 175.812 176.870 0.403 0.000 1.014 301 L CA -0.626 54.372 54.840 0.263 0.000 0.814 301 L CB 1.747 43.900 42.059 0.157 0.000 1.257 301 L HN 0.599 nan 8.230 nan 0.000 0.424 302 F N 1.928 122.020 119.950 0.237 0.000 2.574 302 F HA 0.592 5.120 4.527 0.001 0.000 0.313 302 F C -0.513 175.345 175.800 0.095 0.000 1.130 302 F CA -0.287 57.794 58.000 0.136 0.000 0.936 302 F CB 1.985 40.891 39.000 -0.156 0.000 1.219 302 F HN 0.465 nan 8.300 nan 0.000 0.445 303 T N 2.901 116.925 114.554 -0.883 0.000 2.863 303 T HA 0.550 4.901 4.350 0.001 0.000 0.285 303 T C -1.430 172.667 174.700 -1.005 0.000 1.009 303 T CA -0.593 61.108 62.100 -0.666 0.000 0.989 303 T CB 1.776 70.459 68.868 -0.309 0.000 1.004 303 T HN 0.839 nan 8.240 nan 0.000 0.455 304 H N 1.711 120.428 119.070 -0.588 0.000 3.079 304 H HA 0.415 4.972 4.556 0.001 0.000 0.356 304 H C -3.218 172.057 175.328 -0.088 0.000 1.221 304 H CA -1.570 54.270 56.048 -0.347 0.000 1.185 304 H CB 2.753 32.344 29.762 -0.285 0.000 1.882 304 H HN 0.470 nan 8.280 nan 0.000 0.543 305 P HA 0.136 nan 4.420 nan 0.000 0.278 305 P C 0.896 178.335 177.300 0.232 0.000 1.238 305 P CA -0.395 62.719 63.100 0.023 0.000 0.794 305 P CB 1.736 33.395 31.700 -0.067 0.000 0.955 306 L N 0.976 122.273 121.223 0.122 0.000 2.217 306 L HA -0.088 4.253 4.340 0.001 0.000 0.211 306 L C 0.930 177.943 176.870 0.239 0.000 1.107 306 L CA 0.805 55.754 54.840 0.183 0.000 0.783 306 L CB -0.940 41.104 42.059 -0.026 0.000 0.919 306 L HN 0.501 nan 8.230 nan 0.000 0.442 307 N N -0.499 118.286 118.700 0.142 0.000 2.725 307 N HA -0.264 4.477 4.740 0.001 0.000 0.251 307 N C 0.608 176.293 175.510 0.292 0.000 1.031 307 N CA 0.361 53.512 53.050 0.168 0.000 0.720 307 N CB -1.481 37.096 38.487 0.149 0.000 0.930 307 N HN 0.333 nan 8.380 nan 0.000 0.543 308 F N -0.139 119.842 119.950 0.051 0.000 2.192 308 F HA -0.247 4.280 4.527 0.001 0.000 0.301 308 F C 2.080 177.898 175.800 0.030 0.000 1.079 308 F CA 1.090 59.114 58.000 0.040 0.000 1.303 308 F CB 0.025 39.046 39.000 0.036 0.000 1.024 308 F HN 0.248 nan 8.300 nan 0.000 0.494 309 K N 0.111 120.645 120.400 0.223 0.000 2.155 309 K HA 0.144 4.464 4.320 0.001 0.000 0.203 309 K C 0.980 177.632 176.600 0.086 0.000 1.052 309 K CA 0.539 56.904 56.287 0.129 0.000 0.948 309 K CB -0.246 32.313 32.500 0.098 0.000 0.728 309 K HN 0.365 nan 8.250 nan 0.000 0.448 310 G N 0.769 109.616 108.800 0.077 0.000 2.631 310 G HA2 -0.217 3.743 3.960 0.001 0.000 0.504 310 G HA3 -0.217 3.743 3.960 0.001 0.000 0.504 310 G C -0.595 174.292 174.900 -0.022 0.000 1.306 310 G CA -0.496 44.618 45.100 0.023 0.000 0.897 310 G HN 0.165 nan 8.290 nan 0.000 0.520 311 R N -1.940 118.486 120.500 -0.125 0.000 3.835 311 R HA -0.231 4.110 4.340 0.001 0.000 0.455 311 R C 1.232 177.312 176.300 -0.366 0.000 0.241 311 R CA 2.066 57.983 56.100 -0.304 0.000 1.439 311 R CB -1.465 28.820 30.300 -0.024 0.000 0.987 311 R HN 0.966 nan 8.270 nan 0.000 0.570 312 W N 1.377 122.714 121.300 0.062 0.000 3.278 312 W HA 0.204 4.864 4.660 0.000 0.000 0.308 312 W C 2.139 178.698 176.519 0.066 0.000 1.253 312 W CA -0.046 57.335 57.345 0.059 0.000 1.759 312 W CB -0.358 29.133 29.460 0.052 0.000 1.093 312 W HN 0.276 nan 8.180 nan 0.000 0.648 313 L N 0.744 122.088 121.223 0.202 0.000 2.042 313 L HA -0.167 4.173 4.340 0.001 0.000 0.210 313 L C 1.008 177.940 176.870 0.104 0.000 1.076 313 L CA 1.403 56.322 54.840 0.132 0.000 0.749 313 L CB -0.785 41.329 42.059 0.092 0.000 0.893 313 L HN -0.108 nan 8.230 nan 0.000 0.432 314 R N 1.016 121.572 120.500 0.093 0.000 3.205 314 R HA -0.142 4.198 4.340 0.001 0.000 0.249 314 R C -0.369 175.952 176.300 0.036 0.000 0.937 314 R CA 0.731 56.875 56.100 0.073 0.000 0.641 314 R CB -1.892 28.468 30.300 0.099 0.000 1.114 314 R HN 0.613 nan 8.270 nan 0.000 0.451 315 D N 0.931 121.343 120.400 0.021 0.000 2.344 315 D HA 0.193 4.834 4.640 0.001 0.000 0.244 315 D C -0.081 176.164 176.300 -0.091 0.000 1.134 315 D CA -0.466 53.519 54.000 -0.026 0.000 0.930 315 D CB 0.587 41.375 40.800 -0.019 0.000 1.175 315 D HN 0.313 nan 8.370 nan 0.000 0.437 316 R N -0.806 119.616 120.500 -0.131 0.000 3.096 316 R HA -0.183 4.157 4.340 0.001 0.000 0.261 316 R C -0.601 175.607 176.300 -0.153 0.000 0.988 316 R CA -0.247 55.736 56.100 -0.194 0.000 0.661 316 R CB -1.971 28.109 30.300 -0.367 0.000 1.274 316 R HN 0.444 nan 8.270 nan 0.000 0.416 317 L N 1.651 122.776 121.223 -0.164 0.000 2.562 317 L HA 0.110 4.451 4.340 0.001 0.000 0.271 317 L C 0.311 177.081 176.870 -0.167 0.000 1.167 317 L CA 0.849 55.580 54.840 -0.183 0.000 0.917 317 L CB 0.277 42.143 42.059 -0.323 0.000 1.187 317 L HN 0.251 nan 8.230 nan 0.000 0.482 318 N N 4.089 122.734 118.700 -0.092 0.000 2.319 318 N HA 0.472 5.213 4.740 0.001 0.000 0.305 318 N C -1.492 173.944 175.510 -0.123 0.000 1.103 318 N CA -0.683 52.291 53.050 -0.126 0.000 0.815 318 N CB 2.255 40.705 38.487 -0.062 0.000 1.288 318 N HN 0.470 nan 8.380 nan 0.000 0.493 319 L N 1.957 123.025 121.223 -0.259 0.000 2.346 319 L HA 0.657 4.997 4.340 0.001 0.000 0.274 319 L C -1.764 174.947 176.870 -0.265 0.000 1.007 319 L CA -0.385 54.377 54.840 -0.130 0.000 0.818 319 L CB 1.019 43.033 42.059 -0.076 0.000 1.284 319 L HN 0.501 nan 8.230 nan 0.000 0.424 320 W N 4.972 126.373 121.300 0.168 0.000 2.950 320 W HA 0.676 5.337 4.660 0.002 0.000 0.340 320 W C -1.351 175.369 176.519 0.336 0.000 1.139 320 W CA -0.617 56.918 57.345 0.317 0.000 1.188 320 W CB 1.727 31.496 29.460 0.515 0.000 1.426 320 W HN 0.434 nan 8.180 nan 0.000 0.531 321 L N 2.347 123.953 121.223 0.639 0.000 2.381 321 L HA 0.859 5.200 4.340 0.001 0.000 0.274 321 L C -0.610 176.628 176.870 0.613 0.000 0.988 321 L CA -0.080 55.060 54.840 0.500 0.000 0.824 321 L CB 1.929 44.200 42.059 0.353 0.000 1.263 321 L HN 0.385 nan 8.230 nan 0.000 0.410 322 T N 1.621 116.474 114.554 0.497 0.000 2.923 322 T HA 0.427 4.777 4.350 0.001 0.000 0.311 322 T C -0.690 174.187 174.700 0.296 0.000 1.183 322 T CA -0.239 62.123 62.100 0.436 0.000 1.020 322 T CB 1.145 70.194 68.868 0.300 0.000 1.165 322 T HN 0.754 nan 8.240 nan 0.000 0.482 323 D N 3.030 123.588 120.400 0.264 0.000 2.427 323 D HA 0.162 4.803 4.640 0.001 0.000 0.224 323 D C 0.799 177.113 176.300 0.024 0.000 1.157 323 D CA -0.251 53.883 54.000 0.222 0.000 0.828 323 D CB -0.602 40.382 40.800 0.308 0.000 0.974 323 D HN 0.788 nan 8.370 nan 0.000 0.498 324 N N -0.201 118.398 118.700 -0.168 0.000 2.909 324 N HA -0.263 4.477 4.740 0.001 0.000 0.242 324 N C 0.283 175.709 175.510 -0.139 0.000 0.975 324 N CA 1.275 54.180 53.050 -0.242 0.000 0.921 324 N CB -0.414 37.861 38.487 -0.354 0.000 1.112 324 N HN 0.468 nan 8.380 nan 0.000 0.581 325 Q N -0.587 119.123 119.800 -0.150 0.000 2.462 325 Q HA 0.239 4.580 4.340 0.001 0.000 0.194 325 Q C -0.039 175.815 176.000 -0.244 0.000 0.694 325 Q CA -0.172 55.487 55.803 -0.240 0.000 0.873 325 Q CB 0.418 28.987 28.738 -0.282 0.000 1.261 325 Q HN 0.142 nan 8.270 nan 0.000 0.531 326 R N 0.927 121.235 120.500 -0.319 0.000 2.536 326 R HA 0.588 4.929 4.340 0.001 0.000 0.279 326 R C -0.688 175.661 176.300 0.081 0.000 1.001 326 R CA -0.056 55.908 56.100 -0.226 0.000 1.027 326 R CB 1.226 31.113 30.300 -0.688 0.000 1.096 326 R HN 0.101 nan 8.270 nan 0.000 0.502 327 I N 2.000 122.744 120.570 0.290 0.000 2.468 327 I HA 0.266 4.437 4.170 0.001 0.000 0.285 327 I C -1.358 175.141 176.117 0.637 0.000 1.039 327 I CA -0.851 60.712 61.300 0.438 0.000 1.074 327 I CB 1.465 39.593 38.000 0.213 0.000 1.228 327 I HN 0.547 nan 8.210 nan 0.000 0.436 328 Y N 6.307 126.985 120.300 0.631 0.000 2.393 328 Y HA 0.439 4.990 4.550 0.001 0.000 0.341 328 Y C -0.174 175.966 175.900 0.401 0.000 0.988 328 Y CA -0.728 57.681 58.100 0.515 0.000 1.078 328 Y CB 1.525 40.259 38.460 0.456 0.000 1.203 328 Y HN 0.515 nan 8.280 nan 0.000 0.453 329 N N 4.922 123.222 118.700 -0.667 0.000 2.439 329 N HA 0.086 4.827 4.740 0.001 0.000 0.243 329 N C 0.493 175.506 175.510 -0.829 0.000 1.088 329 N CA 0.240 52.713 53.050 -0.962 0.000 0.940 329 N CB 1.035 38.956 38.487 -0.944 0.000 1.180 329 N HN 0.687 nan 8.380 nan 0.000 0.505 330 V N 2.629 122.344 119.914 -0.332 0.000 2.332 330 V HA 0.066 4.187 4.120 0.001 0.000 0.248 330 V C 1.496 177.498 176.094 -0.153 0.000 1.055 330 V CA 1.770 64.053 62.300 -0.028 0.000 1.038 330 V CB -1.365 30.468 31.823 0.017 0.000 0.651 330 V HN 0.897 nan 8.190 nan 0.000 0.450 331 G N -1.235 107.381 108.800 -0.307 0.000 2.346 331 G HA2 0.019 3.980 3.960 0.001 0.000 0.294 331 G HA3 0.019 3.980 3.960 0.001 0.000 0.294 331 G C -0.927 173.839 174.900 -0.223 0.000 1.294 331 G CA -0.234 44.719 45.100 -0.244 0.000 0.962 331 G HN 0.269 nan 8.290 nan 0.000 0.508 332 Q N -0.318 119.381 119.800 -0.168 0.000 2.295 332 Q HA 0.499 4.839 4.340 0.001 0.000 0.259 332 Q C 0.952 176.874 176.000 -0.131 0.000 0.976 332 Q CA -0.272 55.437 55.803 -0.157 0.000 0.923 332 Q CB 1.325 29.979 28.738 -0.141 0.000 1.185 332 Q HN 0.467 nan 8.270 nan 0.000 0.410 333 V N 2.788 122.610 119.914 -0.154 0.000 2.446 333 V HA -0.096 4.025 4.120 0.001 0.000 0.244 333 V C 1.006 177.031 176.094 -0.115 0.000 1.039 333 V CA 1.378 63.597 62.300 -0.134 0.000 1.045 333 V CB -0.076 31.642 31.823 -0.175 0.000 0.681 333 V HN 0.903 nan 8.190 nan 0.000 0.459 334 S N 0.334 115.918 115.700 -0.193 0.000 2.606 334 S HA 0.377 4.847 4.470 0.001 0.000 0.257 334 S C -0.264 174.321 174.600 -0.024 0.000 1.327 334 S CA -0.294 57.852 58.200 -0.089 0.000 0.984 334 S CB 0.570 63.688 63.200 -0.136 0.000 0.941 334 S HN 0.234 nan 8.310 nan 0.000 0.576 335 I N 1.558 122.141 120.570 0.021 0.000 2.377 335 I HA 0.508 4.678 4.170 0.001 0.000 0.293 335 I C 1.403 177.517 176.117 -0.006 0.000 0.987 335 I CA -0.187 61.118 61.300 0.008 0.000 1.185 335 I CB 0.780 38.797 38.000 0.027 0.000 1.341 335 I HN 1.121 nan 8.210 nan 0.000 0.455 336 G N 5.677 114.468 108.800 -0.016 0.000 2.652 336 G HA2 -0.353 3.607 3.960 0.001 0.000 0.318 336 G HA3 -0.353 3.607 3.960 0.001 0.000 0.318 336 G C 0.335 175.218 174.900 -0.029 0.000 1.295 336 G CA 0.780 45.871 45.100 -0.016 0.000 0.999 336 G HN 0.906 nan 8.290 nan 0.000 0.548 337 D N 1.587 121.978 120.400 -0.014 0.000 2.615 337 D HA 0.187 4.827 4.640 0.001 0.000 0.236 337 D C 0.856 177.151 176.300 -0.009 0.000 1.233 337 D CA 0.590 54.580 54.000 -0.016 0.000 0.829 337 D CB -0.584 40.221 40.800 0.009 0.000 1.024 337 D HN 0.934 nan 8.370 nan 0.000 0.490 338 E N 0.267 120.463 120.200 -0.007 0.000 2.408 338 E HA 0.037 4.388 4.350 0.001 0.000 0.259 338 E C -0.392 176.207 176.600 -0.002 0.000 1.110 338 E CA -0.514 55.886 56.400 0.000 0.000 0.929 338 E CB 0.469 30.177 29.700 0.014 0.000 0.971 338 E HN -0.067 nan 8.360 nan 0.000 0.438 339 N N 1.545 120.240 118.700 -0.008 0.000 2.458 339 N HA 0.087 4.827 4.740 0.001 0.000 0.270 339 N C -1.046 174.475 175.510 0.020 0.000 1.102 339 N CA -0.114 52.934 53.050 -0.004 0.000 0.967 339 N CB 1.272 39.742 38.487 -0.029 0.000 1.078 339 N HN 0.545 nan 8.380 nan 0.000 0.471 340 S N -0.443 115.282 115.700 0.043 0.000 2.381 340 S HA 0.583 5.053 4.470 0.001 0.000 0.193 340 S C 0.292 174.936 174.600 0.073 0.000 1.287 340 S CA -0.816 57.440 58.200 0.093 0.000 1.199 340 S CB 0.923 64.146 63.200 0.038 0.000 1.214 340 S HN 0.527 nan 8.310 nan 0.000 0.444 341 A N 2.183 125.094 122.820 0.152 0.000 1.941 341 A HA 0.498 4.819 4.320 0.001 0.000 0.214 341 A C -0.003 177.753 177.584 0.286 0.000 1.368 341 A CA 0.522 52.677 52.037 0.197 0.000 0.651 341 A CB -0.391 18.777 19.000 0.279 0.000 1.064 341 A HN 0.675 nan 8.150 nan 0.000 0.492 342 Y N 1.023 121.340 120.300 0.028 0.000 2.304 342 Y HA 0.517 5.067 4.550 0.001 0.000 0.327 342 Y C 0.777 176.697 175.900 0.034 0.000 1.209 342 Y CA -0.871 57.232 58.100 0.005 0.000 1.299 342 Y CB 0.883 39.352 38.460 0.015 0.000 1.249 342 Y HN 0.438 nan 8.280 nan 0.000 0.519 343 S N -0.024 115.745 115.700 0.115 0.000 2.588 343 S HA 0.750 5.220 4.470 0.001 0.000 0.269 343 S C -1.051 173.588 174.600 0.066 0.000 1.157 343 S CA -0.979 57.283 58.200 0.104 0.000 0.824 343 S CB 2.059 65.269 63.200 0.015 0.000 1.126 343 S HN 0.512 nan 8.310 nan 0.000 0.464 344 S N 0.499 116.258 115.700 0.100 0.000 2.649 344 S HA 0.590 5.061 4.470 0.001 0.000 0.274 344 S C -1.537 173.146 174.600 0.138 0.000 1.176 344 S CA -0.489 57.776 58.200 0.110 0.000 0.988 344 S CB 1.016 64.290 63.200 0.124 0.000 1.071 344 S HN 0.867 nan 8.310 nan 0.000 0.478 345 V N 5.466 125.459 119.914 0.131 0.000 2.435 345 V HA 0.650 4.771 4.120 0.001 0.000 0.290 345 V C -0.494 175.720 176.094 0.200 0.000 1.030 345 V CA -0.695 61.697 62.300 0.152 0.000 0.881 345 V CB 1.359 33.250 31.823 0.114 0.000 0.983 345 V HN 0.765 nan 8.190 nan 0.000 0.445 346 L N 5.535 126.916 121.223 0.264 0.000 2.362 346 L HA 0.578 4.918 4.340 0.001 0.000 0.275 346 L C -1.320 175.793 176.870 0.405 0.000 0.998 346 L CA -0.548 54.479 54.840 0.313 0.000 0.820 346 L CB 1.637 43.892 42.059 0.326 0.000 1.270 346 L HN 0.622 nan 8.230 nan 0.000 0.415 347 Y N 5.095 125.517 120.300 0.204 0.000 2.356 347 Y HA 0.580 5.131 4.550 0.001 0.000 0.334 347 Y C -0.780 175.237 175.900 0.195 0.000 0.958 347 Y CA -0.570 57.636 58.100 0.177 0.000 1.196 347 Y CB 0.796 39.325 38.460 0.115 0.000 1.137 347 Y HN 0.695 nan 8.280 nan 0.000 0.485 348 K N 5.179 125.563 120.400 -0.027 0.000 2.482 348 K HA 0.274 4.595 4.320 0.001 0.000 0.251 348 K C -0.942 175.572 176.600 -0.143 0.000 0.936 348 K CA -0.501 55.760 56.287 -0.043 0.000 0.791 348 K CB 0.977 33.539 32.500 0.103 0.000 1.213 348 K HN 0.743 nan 8.250 nan 0.000 0.428 349 D N 4.021 124.315 120.400 -0.177 0.000 2.704 349 D HA -0.218 4.423 4.640 0.001 0.000 0.232 349 D C -0.349 175.834 176.300 -0.195 0.000 1.183 349 D CA 1.753 55.670 54.000 -0.138 0.000 0.647 349 D CB -0.690 40.083 40.800 -0.044 0.000 1.013 349 D HN 0.987 nan 8.370 nan 0.000 0.415 350 D N -1.121 119.013 120.400 -0.443 0.000 2.882 350 D HA -0.211 4.430 4.640 0.001 0.000 0.229 350 D C -0.594 175.610 176.300 -0.161 0.000 1.167 350 D CA 1.265 55.051 54.000 -0.356 0.000 0.759 350 D CB 0.066 40.837 40.800 -0.049 0.000 1.088 350 D HN 0.253 nan 8.370 nan 0.000 0.425 351 K N -0.097 120.177 120.400 -0.210 0.000 2.318 351 K HA 0.653 4.974 4.320 0.001 0.000 0.249 351 K C -0.546 175.916 176.600 -0.229 0.000 0.942 351 K CA -1.059 55.133 56.287 -0.157 0.000 0.808 351 K CB 1.780 34.221 32.500 -0.097 0.000 1.189 351 K HN 0.092 nan 8.250 nan 0.000 0.428 352 L N 2.700 123.691 121.223 -0.385 0.000 2.313 352 L HA 0.466 4.806 4.340 0.001 0.000 0.283 352 L C -1.505 174.989 176.870 -0.627 0.000 1.013 352 L CA -0.386 54.307 54.840 -0.246 0.000 0.816 352 L CB 0.675 42.732 42.059 -0.004 0.000 1.236 352 L HN 0.470 nan 8.230 nan 0.000 0.419 353 Y N 3.011 123.340 120.300 0.048 0.000 2.570 353 Y HA 0.681 5.232 4.550 0.001 0.000 0.345 353 Y C -0.244 175.636 175.900 -0.034 0.000 1.014 353 Y CA -0.698 57.355 58.100 -0.078 0.000 1.063 353 Y CB 2.001 40.421 38.460 -0.067 0.000 1.272 353 Y HN 0.632 nan 8.280 nan 0.000 0.477 354 C N 3.683 123.011 119.300 0.046 0.000 2.551 354 C HA 0.600 5.060 4.460 0.001 0.000 0.332 354 C C -1.327 173.736 174.990 0.122 0.000 1.139 354 C CA -0.803 58.282 59.018 0.111 0.000 1.328 354 C CB 0.088 27.892 27.740 0.108 0.000 1.903 354 C HN 0.923 nan 8.230 nan 0.000 0.459 355 L N 6.719 128.054 121.223 0.187 0.000 2.262 355 L HA 0.603 4.943 4.340 0.001 0.000 0.288 355 L C -0.476 176.493 176.870 0.164 0.000 1.035 355 L CA 0.144 55.089 54.840 0.174 0.000 0.820 355 L CB 0.445 42.609 42.059 0.175 0.000 1.204 355 L HN 1.042 nan 8.230 nan 0.000 0.424 356 H N 1.613 120.715 119.070 0.054 0.000 2.895 356 H HA 0.448 5.004 4.556 0.001 0.000 0.373 356 H C -1.095 174.265 175.328 0.054 0.000 1.174 356 H CA -1.052 55.024 56.048 0.048 0.000 1.144 356 H CB 0.962 30.744 29.762 0.034 0.000 1.793 356 H HN 0.441 nan 8.280 nan 0.000 0.551 357 E N 2.179 122.502 120.200 0.206 0.000 2.415 357 E HA 0.217 4.567 4.350 0.001 0.000 0.262 357 E C -0.025 176.685 176.600 0.182 0.000 1.038 357 E CA 0.065 56.570 56.400 0.174 0.000 0.921 357 E CB 1.045 30.887 29.700 0.237 0.000 0.950 357 E HN 0.592 nan 8.360 nan 0.000 0.438 358 I N -0.526 120.087 120.570 0.071 0.000 2.647 358 I HA 0.440 4.611 4.170 0.001 0.000 0.295 358 I C -0.851 175.219 176.117 -0.079 0.000 1.078 358 I CA -0.897 60.420 61.300 0.029 0.000 1.048 358 I CB 2.092 40.096 38.000 0.006 0.000 1.239 358 I HN 0.409 nan 8.210 nan 0.000 0.421 359 N N 4.040 122.632 118.700 -0.180 0.000 2.461 359 N HA 0.413 5.154 4.740 0.001 0.000 0.284 359 N C -1.622 173.731 175.510 -0.261 0.000 1.049 359 N CA -0.295 52.492 53.050 -0.439 0.000 0.889 359 N CB 1.885 39.875 38.487 -0.828 0.000 1.365 359 N HN 0.721 nan 8.380 nan 0.000 0.499 360 S N 2.336 117.913 115.700 -0.205 0.000 2.473 360 S HA 0.325 4.795 4.470 0.001 0.000 0.307 360 S C 0.025 174.562 174.600 -0.106 0.000 1.094 360 S CA -0.667 57.462 58.200 -0.118 0.000 1.070 360 S CB 1.039 64.198 63.200 -0.068 0.000 1.019 360 S HN 0.759 nan 8.310 nan 0.000 0.480 361 N N 2.680 121.341 118.700 -0.064 0.000 2.710 361 N HA -0.164 4.577 4.740 0.001 0.000 0.249 361 N C -0.606 174.902 175.510 -0.002 0.000 1.059 361 N CA 0.935 53.972 53.050 -0.021 0.000 0.720 361 N CB -0.825 37.660 38.487 -0.003 0.000 0.983 361 N HN 0.745 nan 8.380 nan 0.000 0.544 362 E N -3.083 117.082 120.200 -0.059 0.000 2.513 362 E HA -0.185 4.165 4.350 0.001 0.000 0.257 362 E C -0.704 175.994 176.600 0.163 0.000 1.098 362 E CA 0.793 57.215 56.400 0.035 0.000 0.752 362 E CB -1.719 28.075 29.700 0.156 0.000 1.324 362 E HN 0.429 nan 8.360 nan 0.000 0.403 363 V N 1.188 121.088 119.914 -0.024 0.000 2.443 363 V HA 0.412 4.533 4.120 0.001 0.000 0.293 363 V C -0.283 175.776 176.094 -0.058 0.000 1.021 363 V CA -0.762 61.585 62.300 0.080 0.000 0.848 363 V CB 1.040 32.830 31.823 -0.054 0.000 0.998 363 V HN 0.062 nan 8.190 nan 0.000 0.424 364 Y N 1.820 122.133 120.300 0.021 0.000 2.341 364 Y HA 0.699 5.249 4.550 0.001 0.000 0.337 364 Y C 0.729 176.672 175.900 0.072 0.000 1.014 364 Y CA -0.375 57.741 58.100 0.027 0.000 1.111 364 Y CB 2.131 40.595 38.460 0.007 0.000 1.194 364 Y HN 0.591 nan 8.280 nan 0.000 0.462 365 S N 2.883 118.697 115.700 0.190 0.000 2.638 365 S HA 0.709 5.180 4.470 0.001 0.000 0.302 365 S C -1.067 173.602 174.600 0.116 0.000 1.096 365 S CA -0.889 57.423 58.200 0.188 0.000 0.953 365 S CB 1.191 64.448 63.200 0.095 0.000 1.107 365 S HN 0.454 nan 8.310 nan 0.000 0.503 366 L N 2.409 123.677 121.223 0.075 0.000 2.325 366 L HA 0.570 4.911 4.340 0.001 0.000 0.281 366 L C -0.360 176.494 176.870 -0.027 0.000 1.004 366 L CA -0.951 53.873 54.840 -0.027 0.000 0.823 366 L CB 1.521 43.475 42.059 -0.175 0.000 1.236 366 L HN 0.473 nan 8.230 nan 0.000 0.415 367 V N 0.173 119.997 119.914 -0.151 0.000 2.743 367 V HA 0.492 4.612 4.120 0.001 0.000 0.301 367 V C -0.737 175.355 176.094 -0.003 0.000 1.057 367 V CA -0.589 61.641 62.300 -0.116 0.000 1.006 367 V CB 1.739 33.417 31.823 -0.242 0.000 1.024 367 V HN 0.572 nan 8.190 nan 0.000 0.473 368 F N 3.717 123.641 119.950 -0.044 0.000 2.382 368 F HA 0.822 5.350 4.527 0.001 0.000 0.361 368 F C 0.249 176.122 175.800 0.123 0.000 1.109 368 F CA -0.522 57.515 58.000 0.061 0.000 1.031 368 F CB 0.375 39.422 39.000 0.079 0.000 1.234 368 F HN 0.942 nan 8.300 nan 0.000 0.445 369 A N 6.520 129.152 122.820 -0.313 0.000 2.312 369 A HA 0.702 5.023 4.320 0.001 0.000 0.326 369 A C -0.486 176.917 177.584 -0.302 0.000 1.172 369 A CA -0.910 51.007 52.037 -0.201 0.000 0.821 369 A CB 0.771 19.752 19.000 -0.032 0.000 1.166 369 A HN 0.808 nan 8.150 nan 0.000 0.493 370 R N 2.028 122.429 120.500 -0.164 0.000 2.204 370 R HA 0.285 4.625 4.340 0.001 0.000 0.341 370 R C -1.260 174.949 176.300 -0.151 0.000 1.035 370 R CA -0.692 55.306 56.100 -0.170 0.000 0.887 370 R CB 0.641 30.919 30.300 -0.038 0.000 1.114 370 R HN 0.423 nan 8.270 nan 0.000 0.473 371 L N 4.844 125.949 121.223 -0.197 0.000 2.423 371 L HA 0.062 4.403 4.340 0.001 0.000 0.249 371 L C 1.216 178.018 176.870 -0.113 0.000 1.276 371 L CA 0.255 55.022 54.840 -0.121 0.000 1.199 371 L CB 0.463 42.465 42.059 -0.095 0.000 1.407 371 L HN 0.525 nan 8.230 nan 0.000 0.410 372 V N 1.112 120.972 119.914 -0.089 0.000 2.283 372 V HA -0.131 3.989 4.120 0.001 0.000 0.243 372 V C 2.296 178.364 176.094 -0.043 0.000 1.039 372 V CA 1.970 64.231 62.300 -0.065 0.000 1.016 372 V CB -0.955 30.842 31.823 -0.043 0.000 0.650 372 V HN 0.770 nan 8.190 nan 0.000 0.449 373 G N -0.371 108.408 108.800 -0.035 0.000 2.442 373 G HA2 -0.253 3.707 3.960 0.001 0.000 0.219 373 G HA3 -0.253 3.707 3.960 0.001 0.000 0.219 373 G C 1.441 176.325 174.900 -0.027 0.000 1.141 373 G CA 1.037 46.121 45.100 -0.026 0.000 0.763 373 G HN 0.539 nan 8.290 nan 0.000 0.554 374 E N -0.318 119.862 120.200 -0.033 0.000 2.106 374 E HA -0.017 4.334 4.350 0.001 0.000 0.192 374 E C 2.276 178.857 176.600 -0.031 0.000 0.984 374 E CA 0.399 56.782 56.400 -0.028 0.000 0.806 374 E CB -0.281 29.399 29.700 -0.033 0.000 0.750 374 E HN 0.371 nan 8.360 nan 0.000 0.458 375 L N 0.745 121.947 121.223 -0.036 0.000 2.156 375 L HA -0.042 4.299 4.340 0.001 0.000 0.208 375 L C 2.219 179.065 176.870 -0.040 0.000 1.095 375 L CA 1.594 56.415 54.840 -0.031 0.000 0.770 375 L CB -0.211 41.848 42.059 0.000 0.000 0.914 375 L HN -0.053 nan 8.230 nan 0.000 0.439 376 R N -0.182 120.296 120.500 -0.036 0.000 2.073 376 R HA -0.168 4.172 4.340 0.001 0.000 0.234 376 R C 2.280 178.544 176.300 -0.059 0.000 1.134 376 R CA 2.276 58.353 56.100 -0.039 0.000 0.952 376 R CB -0.506 29.776 30.300 -0.029 0.000 0.850 376 R HN 0.454 nan 8.270 nan 0.000 0.433 377 I N 0.558 121.097 120.570 -0.052 0.000 2.208 377 I HA -0.298 3.873 4.170 0.001 0.000 0.245 377 I C 2.244 178.272 176.117 -0.148 0.000 1.097 377 I CA 1.315 62.575 61.300 -0.066 0.000 1.363 377 I CB -0.166 37.835 38.000 0.001 0.000 1.051 377 I HN 0.265 nan 8.210 nan 0.000 0.413 378 I N 0.546 121.037 120.570 -0.131 0.000 2.127 378 I HA -0.352 3.819 4.170 0.001 0.000 0.241 378 I C 2.498 178.468 176.117 -0.244 0.000 1.075 378 I CA 1.667 62.850 61.300 -0.195 0.000 1.334 378 I CB -0.361 37.564 38.000 -0.126 0.000 1.040 378 I HN 0.160 nan 8.210 nan 0.000 0.405 379 K N 0.018 120.320 120.400 -0.163 0.000 2.057 379 K HA -0.182 4.139 4.320 0.001 0.000 0.207 379 K C 2.344 178.838 176.600 -0.178 0.000 1.049 379 K CA 1.702 57.903 56.287 -0.143 0.000 0.931 379 K CB -0.302 32.151 32.500 -0.078 0.000 0.714 379 K HN 0.188 nan 8.250 nan 0.000 0.440 380 S N 0.642 116.238 115.700 -0.173 0.000 2.359 380 S HA -0.132 4.338 4.470 0.001 0.000 0.224 380 S C 2.022 176.461 174.600 -0.269 0.000 1.035 380 S CA 1.281 59.377 58.200 -0.174 0.000 1.018 380 S CB -0.204 62.916 63.200 -0.133 0.000 0.876 380 S HN 0.093 nan 8.310 nan 0.000 0.448 381 V N 1.818 121.480 119.914 -0.420 0.000 2.427 381 V HA -0.091 4.030 4.120 0.001 0.000 0.248 381 V C 2.376 177.972 176.094 -0.829 0.000 1.051 381 V CA 1.688 63.583 62.300 -0.676 0.000 1.048 381 V CB -0.635 30.553 31.823 -1.058 0.000 0.666 381 V HN 0.474 nan 8.190 nan 0.000 0.456 382 L N -0.415 120.421 121.223 -0.645 0.000 2.141 382 L HA -0.183 4.158 4.340 0.001 0.000 0.209 382 L C 2.545 179.319 176.870 -0.160 0.000 1.094 382 L CA 1.333 55.905 54.840 -0.447 0.000 0.763 382 L CB -0.389 41.515 42.059 -0.260 0.000 0.908 382 L HN 0.361 nan 8.230 nan 0.000 0.437 383 Q N -0.376 119.325 119.800 -0.165 0.000 2.137 383 Q HA -0.097 4.244 4.340 0.001 0.000 0.198 383 Q C 2.263 178.202 176.000 -0.103 0.000 0.960 383 Q CA 1.612 57.357 55.803 -0.097 0.000 0.847 383 Q CB 0.007 28.682 28.738 -0.105 0.000 0.915 383 Q HN 0.262 nan 8.270 nan 0.000 0.448 384 S N -0.165 115.455 115.700 -0.133 0.000 2.370 384 S HA -0.149 4.321 4.470 0.001 0.000 0.226 384 S C 1.183 175.865 174.600 0.138 0.000 1.033 384 S CA 1.293 59.440 58.200 -0.089 0.000 1.011 384 S CB -0.432 62.782 63.200 0.023 0.000 0.852 384 S HN 0.515 nan 8.310 nan 0.000 0.457 385 W N 1.876 123.214 121.300 0.063 0.000 2.379 385 W HA 0.056 4.717 4.660 0.001 0.000 0.307 385 W C 2.384 179.025 176.519 0.203 0.000 1.200 385 W CA 0.420 57.907 57.345 0.237 0.000 1.297 385 W CB -1.177 28.454 29.460 0.284 0.000 1.140 385 W HN 0.296 nan 8.180 nan 0.000 0.507 386 K N 0.272 120.879 120.400 0.344 0.000 2.063 386 K HA -0.211 4.109 4.320 0.001 0.000 0.208 386 K C 1.682 178.361 176.600 0.133 0.000 1.048 386 K CA 1.886 58.298 56.287 0.209 0.000 0.928 386 K CB -0.342 32.230 32.500 0.120 0.000 0.713 386 K HN -0.043 nan 8.250 nan 0.000 0.442 387 N N -0.059 118.650 118.700 0.015 0.000 2.216 387 N HA -0.106 4.634 4.740 0.001 0.000 0.183 387 N C 1.425 176.882 175.510 -0.089 0.000 1.017 387 N CA 1.217 54.194 53.050 -0.122 0.000 0.861 387 N CB -0.294 38.005 38.487 -0.312 0.000 0.986 387 N HN 0.377 nan 8.380 nan 0.000 0.428 388 W N 1.399 122.736 121.300 0.062 0.000 2.418 388 W HA -0.031 4.630 4.660 0.001 0.000 0.292 388 W C 1.606 178.260 176.519 0.226 0.000 1.213 388 W CA -0.059 57.323 57.345 0.061 0.000 1.283 388 W CB 0.033 29.331 29.460 -0.269 0.000 1.119 388 W HN -0.035 nan 8.180 nan 0.000 0.542 389 D N -0.442 120.232 120.400 0.457 0.000 2.144 389 D HA -0.159 4.481 4.640 0.001 0.000 0.199 389 D C 2.133 178.576 176.300 0.237 0.000 0.984 389 D CA 1.384 55.596 54.000 0.354 0.000 0.834 389 D CB -0.621 40.354 40.800 0.292 0.000 0.955 389 D HN -0.053 nan 8.370 nan 0.000 0.465 390 S N -0.798 115.022 115.700 0.200 0.000 2.368 390 S HA -0.191 4.280 4.470 0.001 0.000 0.224 390 S C 1.806 176.486 174.600 0.133 0.000 1.029 390 S CA 1.235 59.511 58.200 0.127 0.000 0.988 390 S CB -0.151 63.097 63.200 0.080 0.000 0.838 390 S HN 0.408 nan 8.310 nan 0.000 0.462 391 H N 1.465 120.594 119.070 0.099 0.000 2.253 391 H HA -0.010 4.546 4.556 0.001 0.000 0.296 391 H C 1.947 177.320 175.328 0.076 0.000 1.074 391 H CA 2.254 58.344 56.048 0.070 0.000 1.263 391 H CB -0.678 29.235 29.762 0.253 0.000 1.363 391 H HN 0.313 nan 8.280 nan 0.000 0.489 392 L N -0.484 120.776 121.223 0.063 0.000 2.042 392 L HA -0.206 4.135 4.340 0.001 0.000 0.210 392 L C 2.747 179.587 176.870 -0.049 0.000 1.076 392 L CA 1.548 56.357 54.840 -0.052 0.000 0.749 392 L CB -0.608 41.513 42.059 0.104 0.000 0.893 392 L HN 0.317 nan 8.230 nan 0.000 0.432 393 S N -0.749 114.964 115.700 0.021 0.000 2.402 393 S HA -0.119 4.352 4.470 0.001 0.000 0.229 393 S C 1.955 176.545 174.600 -0.016 0.000 1.021 393 S CA 1.360 59.569 58.200 0.015 0.000 0.974 393 S CB -0.033 63.195 63.200 0.046 0.000 0.800 393 S HN 0.433 nan 8.310 nan 0.000 0.484 394 S N 0.775 116.452 115.700 -0.038 0.000 2.603 394 S HA 0.241 4.712 4.470 0.001 0.000 0.220 394 S C 0.556 175.118 174.600 -0.063 0.000 0.967 394 S CA -0.010 58.166 58.200 -0.041 0.000 0.920 394 S CB -0.175 63.003 63.200 -0.037 0.000 0.773 394 S HN 0.387 nan 8.310 nan 0.000 0.529 395 I N 1.774 122.286 120.570 -0.096 0.000 2.618 395 I HA -0.006 4.164 4.170 0.001 0.000 0.284 395 I C 0.506 176.593 176.117 -0.049 0.000 1.146 395 I CA -0.285 60.961 61.300 -0.090 0.000 1.425 395 I CB 0.431 38.360 38.000 -0.119 0.000 1.383 395 I HN 0.175 nan 8.210 nan 0.000 0.562 396 c N 7.331 125.910 118.600 -0.034 0.000 2.218 396 c HA 0.223 4.794 4.570 0.001 0.000 0.353 396 c C 0.956 175.029 174.090 -0.029 0.000 1.070 396 c CA -0.440 55.874 56.329 -0.025 0.000 1.497 396 c CB -1.570 40.932 42.510 -0.014 0.000 1.951 396 c HN 0.787 nan 8.230 nan 0.000 0.493 397 T N 8.619 123.153 114.554 -0.035 0.000 2.946 397 T HA 0.067 4.417 4.350 0.001 0.000 0.311 397 T C -1.086 173.591 174.700 -0.038 0.000 1.063 397 T CA -0.073 62.002 62.100 -0.042 0.000 1.139 397 T CB 0.807 69.650 68.868 -0.043 0.000 0.994 397 T HN 0.569 nan 8.240 nan 0.000 0.547 398 P HA -0.172 nan 4.420 nan 0.000 0.210 398 P C 0.237 177.520 177.300 -0.029 0.000 1.151 398 P CA 1.435 64.509 63.100 -0.043 0.000 0.949 398 P CB 0.081 31.744 31.700 -0.062 0.000 0.786 410 c N 0.350 118.944 118.600 -0.011 0.000 2.498 410 c HA 0.926 5.496 4.570 0.001 0.000 0.316 410 c C 1.116 175.197 174.090 -0.016 0.000 1.209 410 c CA 0.316 56.637 56.329 -0.014 0.000 1.518 410 c CB 1.022 43.525 42.510 -0.012 0.000 2.147 410 c HN 1.168 nan 8.230 nan 0.000 0.483 411 G N 2.584 111.372 108.800 -0.021 0.000 2.532 411 G HA2 0.635 4.595 3.960 0.001 0.000 0.291 411 G HA3 0.635 4.595 3.960 0.001 0.000 0.291 411 G C -2.829 172.057 174.900 -0.023 0.000 1.349 411 G CA -0.742 44.345 45.100 -0.022 0.000 1.038 411 G HN 0.540 nan 8.290 nan 0.000 0.518 412 P HA 0.359 nan 4.420 nan 0.000 0.268 412 P C 0.054 177.337 177.300 -0.028 0.000 1.204 412 P CA -0.040 63.045 63.100 -0.026 0.000 0.768 412 P CB 0.858 32.540 31.700 -0.030 0.000 0.842 413 A N 3.427 126.232 122.820 -0.024 0.000 2.466 413 A HA 0.149 4.470 4.320 0.001 0.000 0.238 413 A C 0.205 177.775 177.584 -0.023 0.000 1.074 413 A CA -0.281 51.742 52.037 -0.023 0.000 0.774 413 A CB -0.080 18.912 19.000 -0.014 0.000 1.015 413 A HN 0.413 nan 8.150 nan 0.000 0.498 414 V N 1.925 121.827 119.914 -0.020 0.000 2.585 414 V HA 0.148 4.268 4.120 0.001 0.000 0.296 414 V C 1.271 177.374 176.094 0.016 0.000 1.035 414 V CA 0.439 62.733 62.300 -0.009 0.000 1.084 414 V CB 0.961 32.781 31.823 -0.005 0.000 0.953 414 V HN 0.979 nan 8.190 nan 0.000 0.483 415 T N 3.453 118.019 114.554 0.019 0.000 2.870 415 T HA 0.160 4.511 4.350 0.001 0.000 0.300 415 T C 1.082 175.879 174.700 0.161 0.000 0.989 415 T CA 0.249 62.383 62.100 0.055 0.000 1.139 415 T CB 0.619 69.485 68.868 -0.005 0.000 0.920 415 T HN 1.028 nan 8.240 nan 0.000 0.537 416 T N 1.675 116.292 114.554 0.106 0.000 3.054 416 T HA 0.211 4.562 4.350 0.001 0.000 0.255 416 T C 0.595 175.313 174.700 0.031 0.000 1.035 416 T CA -0.271 61.868 62.100 0.065 0.000 0.941 416 T CB 0.052 68.957 68.868 0.061 0.000 1.026 416 T HN 0.392 nan 8.240 nan 0.000 0.533 417 V N 2.696 122.652 119.914 0.069 0.000 2.425 417 V HA 0.463 4.584 4.120 0.001 0.000 0.276 417 V C 1.587 177.713 176.094 0.053 0.000 1.017 417 V CA 1.003 63.323 62.300 0.033 0.000 1.062 417 V CB -0.526 31.309 31.823 0.020 0.000 0.997 417 V HN 0.862 nan 8.190 nan 0.000 0.476 418 G N 4.398 113.167 108.800 -0.051 0.000 2.132 418 G HA2 -0.203 3.758 3.960 0.001 0.000 0.234 418 G HA3 -0.203 3.758 3.960 0.001 0.000 0.234 418 G C -0.040 174.705 174.900 -0.260 0.000 0.989 418 G CA 0.124 45.154 45.100 -0.118 0.000 0.676 418 G HN 0.687 nan 8.290 nan 0.000 0.522 419 L N 0.882 121.845 121.223 -0.433 0.000 2.276 419 L HA 0.615 4.956 4.340 0.001 0.000 0.286 419 L C 1.105 177.511 176.870 -0.773 0.000 1.061 419 L CA -0.547 53.773 54.840 -0.867 0.000 0.807 419 L CB 1.458 42.955 42.059 -0.936 0.000 1.177 419 L HN -0.041 nan 8.230 nan 0.000 0.429 420 V N 4.321 123.828 119.914 -0.678 0.000 3.307 420 V HA 0.358 4.479 4.120 0.001 0.000 0.244 420 V C 0.799 176.711 176.094 -0.303 0.000 1.196 420 V CA 0.597 62.592 62.300 -0.509 0.000 1.132 420 V CB 0.923 32.504 31.823 -0.403 0.000 0.875 420 V HN 0.860 nan 8.190 nan 0.000 0.468 421 G N -0.997 107.694 108.800 -0.182 0.000 2.706 421 G HA2 0.609 4.570 3.960 0.001 0.000 0.297 421 G HA3 0.609 4.570 3.960 0.001 0.000 0.297 421 G C -1.813 173.317 174.900 0.383 0.000 1.403 421 G CA -0.338 44.938 45.100 0.293 0.000 0.954 421 G HN -0.002 nan 8.290 nan 0.000 0.500 422 F N 2.726 122.816 119.950 0.234 0.000 3.034 422 F HA 0.404 4.931 4.527 0.001 0.000 0.371 422 F C -0.870 174.823 175.800 -0.178 0.000 1.233 422 F CA -1.068 56.946 58.000 0.024 0.000 1.134 422 F CB 1.069 40.105 39.000 0.060 0.000 1.495 422 F HN 0.197 nan 8.300 nan 0.000 0.563 423 L N 5.578 126.692 121.223 -0.181 0.000 2.261 423 L HA 0.429 4.769 4.340 0.001 0.000 0.289 423 L C 0.170 176.903 176.870 -0.227 0.000 1.059 423 L CA -0.023 54.424 54.840 -0.656 0.000 0.816 423 L CB 1.178 42.111 42.059 -1.876 0.000 1.191 423 L HN 0.516 nan 8.230 nan 0.000 0.431 424 S N 0.349 115.950 115.700 -0.165 0.000 4.199 424 S HA 0.162 4.632 4.470 0.001 0.000 0.257 424 S C 1.125 175.762 174.600 0.061 0.000 1.079 424 S CA -0.061 58.081 58.200 -0.096 0.000 1.498 424 S CB 0.283 63.083 63.200 -0.667 0.000 1.260 424 S HN 0.788 nan 8.310 nan 0.000 0.749 425 H N 1.623 120.614 119.070 -0.131 0.000 2.289 425 H HA 0.163 4.720 4.556 0.001 0.000 0.296 425 H C 0.598 175.885 175.328 -0.069 0.000 1.091 425 H CA 2.241 58.237 56.048 -0.086 0.000 1.274 425 H CB -0.667 29.046 29.762 -0.082 0.000 1.364 425 H HN 0.291 nan 8.280 nan 0.000 0.490 426 S N 0.551 116.193 115.700 -0.096 0.000 2.525 426 S HA 0.460 4.931 4.470 0.001 0.000 0.285 426 S C -0.164 174.391 174.600 -0.075 0.000 1.283 426 S CA 0.134 58.272 58.200 -0.103 0.000 1.072 426 S CB 0.528 63.727 63.200 -0.002 0.000 0.867 426 S HN 0.681 nan 8.310 nan 0.000 0.492 427 A N 3.478 126.208 122.820 -0.150 0.000 2.581 427 A HA 0.868 5.189 4.320 0.001 0.000 0.290 427 A C -0.521 176.989 177.584 -0.124 0.000 1.119 427 A CA -0.800 51.149 52.037 -0.147 0.000 0.670 427 A CB 1.480 20.269 19.000 -0.352 0.000 1.280 427 A HN 0.606 nan 8.150 nan 0.000 0.425 428 T N -0.334 114.158 114.554 -0.104 0.000 2.843 428 T HA 0.367 4.718 4.350 0.001 0.000 0.302 428 T C 0.738 175.393 174.700 -0.076 0.000 1.232 428 T CA -0.442 61.618 62.100 -0.067 0.000 1.009 428 T CB 1.823 70.683 68.868 -0.013 0.000 1.254 428 T HN 0.664 nan 8.240 nan 0.000 0.504 429 K N 1.369 121.736 120.400 -0.055 0.000 2.059 429 K HA -0.129 4.192 4.320 0.001 0.000 0.212 429 K C 1.950 178.531 176.600 -0.031 0.000 1.050 429 K CA 2.610 58.867 56.287 -0.050 0.000 0.927 429 K CB -0.442 32.040 32.500 -0.030 0.000 0.714 429 K HN 0.767 nan 8.250 nan 0.000 0.447 430 T N -3.412 111.140 114.554 -0.003 0.000 3.043 430 T HA 0.315 4.665 4.350 0.001 0.000 0.272 430 T C 0.007 174.741 174.700 0.056 0.000 0.990 430 T CA -0.614 61.501 62.100 0.026 0.000 0.897 430 T CB 0.400 69.286 68.868 0.030 0.000 1.111 430 T HN 0.014 nan 8.240 nan 0.000 0.529 431 E N 0.055 120.287 120.200 0.054 0.000 2.343 431 E HA 0.395 4.745 4.350 0.001 0.000 0.270 431 E C -1.893 174.788 176.600 0.136 0.000 0.895 431 E CA -0.940 55.523 56.400 0.106 0.000 0.767 431 E CB 1.924 31.683 29.700 0.100 0.000 1.248 431 E HN 0.218 nan 8.360 nan 0.000 0.440 432 W N 2.850 124.123 121.300 -0.045 0.000 2.417 432 W HA 0.267 4.927 4.660 0.001 0.000 0.315 432 W C -0.732 175.725 176.519 -0.102 0.000 1.045 432 W CA -0.930 56.357 57.345 -0.097 0.000 1.221 432 W CB 0.867 30.252 29.460 -0.126 0.000 1.309 432 W HN 0.495 nan 8.180 nan 0.000 0.453 433 E N 3.747 124.119 120.200 0.286 0.000 2.105 433 E HA -0.026 4.325 4.350 0.001 0.000 0.285 433 E C -0.385 176.234 176.600 0.031 0.000 1.055 433 E CA -0.367 56.109 56.400 0.127 0.000 0.843 433 E CB 0.875 30.635 29.700 0.100 0.000 1.067 433 E HN 0.218 nan 8.360 nan 0.000 0.398 434 D N 2.468 122.903 120.400 0.058 0.000 2.586 434 D HA -0.084 4.557 4.640 0.001 0.000 0.234 434 D C 0.770 177.145 176.300 0.126 0.000 1.132 434 D CA 0.258 54.341 54.000 0.139 0.000 0.860 434 D CB 1.012 42.016 40.800 0.340 0.000 1.159 434 D HN 0.517 nan 8.370 nan 0.000 0.490 435 A N 4.061 126.877 122.820 -0.007 0.000 1.930 435 A HA -0.176 4.144 4.320 0.001 0.000 0.217 435 A C 1.432 179.057 177.584 0.068 0.000 1.175 435 A CA 0.954 52.834 52.037 -0.261 0.000 0.627 435 A CB -0.561 17.864 19.000 -0.958 0.000 0.815 435 A HN 0.723 nan 8.150 nan 0.000 0.443 436 Y N -0.909 119.586 120.300 0.324 0.000 2.471 436 Y HA 0.224 4.775 4.550 0.001 0.000 0.286 436 Y C 0.923 177.186 175.900 0.605 0.000 1.188 436 Y CA 0.353 58.752 58.100 0.498 0.000 1.286 436 Y CB -0.163 38.407 38.460 0.182 0.000 1.072 436 Y HN 0.351 nan 8.280 nan 0.000 0.517 437 R N -2.950 117.873 120.500 0.538 0.000 3.953 437 R HA -0.270 4.071 4.340 0.001 0.000 0.340 437 R C 0.716 177.375 176.300 0.599 0.000 1.195 437 R CA 0.842 57.235 56.100 0.487 0.000 0.929 437 R CB -2.602 27.935 30.300 0.395 0.000 1.402 437 R HN 0.451 nan 8.270 nan 0.000 0.540 438 C N -1.115 118.538 119.300 0.589 0.000 2.520 438 C HA 0.243 4.704 4.460 0.001 0.000 0.291 438 C C 0.899 176.084 174.990 0.325 0.000 1.364 438 C CA 0.288 59.620 59.018 0.523 0.000 1.781 438 C CB 0.608 28.673 27.740 0.543 0.000 2.171 438 C HN 0.252 nan 8.230 nan 0.000 0.516 439 V N 2.926 123.052 119.914 0.354 0.000 2.532 439 V HA 0.341 4.462 4.120 0.001 0.000 0.294 439 V C -1.264 175.112 176.094 0.470 0.000 1.036 439 V CA -0.553 61.911 62.300 0.272 0.000 0.876 439 V CB 1.222 33.018 31.823 -0.045 0.000 1.012 439 V HN 0.355 nan 8.190 nan 0.000 0.432 440 N N 2.363 121.248 118.700 0.308 0.000 2.408 440 N HA 0.764 5.504 4.740 0.001 0.000 0.260 440 N C -0.015 175.633 175.510 0.230 0.000 1.242 440 N CA -0.212 52.971 53.050 0.221 0.000 0.959 440 N CB 1.835 40.420 38.487 0.165 0.000 1.201 440 N HN 0.849 nan 8.380 nan 0.000 0.511 441 A N -0.129 122.723 122.820 0.055 0.000 2.350 441 A HA 0.561 4.882 4.320 0.001 0.000 0.324 441 A C 0.003 177.689 177.584 0.170 0.000 1.118 441 A CA -0.691 51.407 52.037 0.102 0.000 0.783 441 A CB 0.500 19.419 19.000 -0.135 0.000 1.236 441 A HN 0.634 nan 8.150 nan 0.000 0.457 442 S N 0.924 116.727 115.700 0.170 0.000 2.586 442 S HA 0.722 5.192 4.470 0.001 0.000 0.274 442 S C 0.167 174.876 174.600 0.181 0.000 1.281 442 S CA 0.248 58.537 58.200 0.147 0.000 1.035 442 S CB 1.032 64.295 63.200 0.104 0.000 0.962 442 S HN 1.624 nan 8.310 nan 0.000 0.512 443 T N -1.902 112.749 114.554 0.162 0.000 2.896 443 T HA 0.831 5.182 4.350 0.001 0.000 0.297 443 T C -0.731 174.056 174.700 0.144 0.000 1.108 443 T CA -0.742 61.479 62.100 0.202 0.000 1.004 443 T CB 1.464 70.454 68.868 0.203 0.000 1.159 443 T HN 1.409 nan 8.240 nan 0.000 0.499 444 A N 1.610 124.541 122.820 0.186 0.000 2.475 444 A HA 0.769 5.089 4.320 0.001 0.000 0.301 444 A C -0.089 177.596 177.584 0.168 0.000 1.059 444 A CA -0.961 51.154 52.037 0.131 0.000 0.710 444 A CB 0.687 19.748 19.000 0.101 0.000 1.288 444 A HN 1.027 nan 8.150 nan 0.000 0.408 445 N N -1.179 117.576 118.700 0.093 0.000 2.727 445 N HA -0.164 4.577 4.740 0.001 0.000 0.249 445 N C -0.210 175.333 175.510 0.054 0.000 1.048 445 N CA 1.353 54.450 53.050 0.078 0.000 0.714 445 N CB -1.248 37.306 38.487 0.112 0.000 0.959 445 N HN 1.436 nan 8.380 nan 0.000 0.544 446 A N 0.013 122.800 122.820 -0.055 0.000 2.342 446 A HA 0.652 4.972 4.320 0.001 0.000 0.323 446 A C 0.041 177.456 177.584 -0.282 0.000 1.125 446 A CA -0.653 51.203 52.037 -0.302 0.000 0.785 446 A CB 1.641 20.382 19.000 -0.431 0.000 1.221 446 A HN 0.249 nan 8.150 nan 0.000 0.463 447 E N 2.550 122.545 120.200 -0.342 0.000 2.210 447 E HA 0.403 4.753 4.350 0.001 0.000 0.266 447 E C -0.678 175.725 176.600 -0.329 0.000 0.883 447 E CA -0.724 55.520 56.400 -0.261 0.000 0.761 447 E CB 1.064 30.651 29.700 -0.187 0.000 1.156 447 E HN 0.660 nan 8.360 nan 0.000 0.412 448 R N 1.844 122.173 120.500 -0.285 0.000 2.537 448 R HA 0.242 4.583 4.340 0.001 0.000 0.280 448 R C -0.107 176.058 176.300 -0.225 0.000 1.058 448 R CA -0.058 55.858 56.100 -0.307 0.000 1.057 448 R CB 0.872 31.007 30.300 -0.274 0.000 0.973 448 R HN 0.440 nan 8.270 nan 0.000 0.438 449 V N 0.396 120.180 119.914 -0.217 0.000 3.078 449 V HA 0.462 4.582 4.120 0.001 0.000 0.311 449 V C -2.639 173.439 176.094 -0.025 0.000 1.138 449 V CA -3.229 59.008 62.300 -0.105 0.000 1.007 449 V CB 1.909 33.677 31.823 -0.092 0.000 1.045 449 V HN 0.561 nan 8.190 nan 0.000 0.432 450 P HA 0.107 nan 4.420 nan 0.000 0.255 450 P C 0.143 177.533 177.300 0.150 0.000 1.161 450 P CA 0.993 64.188 63.100 0.159 0.000 0.768 450 P CB -0.165 31.575 31.700 0.066 0.000 0.746 451 N N 1.046 119.903 118.700 0.263 0.000 2.753 451 N HA -0.168 4.572 4.740 0.001 0.000 0.251 451 N C 0.554 176.139 175.510 0.125 0.000 1.097 451 N CA 1.814 54.964 53.050 0.166 0.000 0.786 451 N CB -1.423 37.148 38.487 0.140 0.000 1.137 451 N HN 0.693 nan 8.380 nan 0.000 0.566 452 G N -1.367 107.432 108.800 -0.001 0.000 2.428 452 G HA2 0.611 4.571 3.960 0.001 0.000 0.305 452 G HA3 0.611 4.571 3.960 0.001 0.000 0.305 452 G C -1.729 172.890 174.900 -0.467 0.000 1.260 452 G CA -0.747 44.283 45.100 -0.115 0.000 0.853 452 G HN 0.078 nan 8.290 nan 0.000 0.480 453 L N 0.118 120.938 121.223 -0.673 0.000 2.370 453 L HA 0.624 4.964 4.340 0.001 0.000 0.266 453 L C -0.303 176.138 176.870 -0.715 0.000 1.002 453 L CA -0.874 53.431 54.840 -0.890 0.000 0.818 453 L CB 2.600 43.748 42.059 -1.519 0.000 1.325 453 L HN 0.518 nan 8.230 nan 0.000 0.418 454 K N 1.991 122.035 120.400 -0.595 0.000 2.213 454 K HA 0.601 4.921 4.320 0.001 0.000 0.270 454 K C -1.576 174.773 176.600 -0.419 0.000 1.002 454 K CA -0.295 55.799 56.287 -0.323 0.000 0.868 454 K CB 0.855 33.245 32.500 -0.182 0.000 1.093 454 K HN 0.295 nan 8.250 nan 0.000 0.454 455 F N 2.155 122.107 119.950 0.004 0.000 2.522 455 F HA 0.718 5.246 4.527 0.001 0.000 0.324 455 F C 0.056 175.883 175.800 0.045 0.000 1.077 455 F CA -0.676 57.330 58.000 0.010 0.000 0.944 455 F CB 2.392 41.408 39.000 0.026 0.000 1.175 455 F HN 0.576 nan 8.300 nan 0.000 0.468 456 A N 1.599 124.563 122.820 0.240 0.000 2.605 456 A HA 0.757 5.077 4.320 0.001 0.000 0.294 456 A C -0.521 177.134 177.584 0.119 0.000 1.062 456 A CA -0.255 51.876 52.037 0.157 0.000 0.682 456 A CB 1.224 20.287 19.000 0.106 0.000 1.278 456 A HN 1.796 nan 8.150 nan 0.000 0.410 457 G N -0.480 108.378 108.800 0.096 0.000 2.785 457 G HA2 0.329 4.289 3.960 0.001 0.000 0.686 457 G HA3 0.329 4.289 3.960 0.001 0.000 0.686 457 G C -0.301 174.641 174.900 0.070 0.000 1.155 457 G CA -0.491 44.653 45.100 0.072 0.000 0.760 457 G HN 1.922 nan 8.290 nan 0.000 0.624 458 V N 2.280 122.228 119.914 0.056 0.000 2.726 458 V HA 0.284 4.404 4.120 0.001 0.000 0.304 458 V C 2.105 178.234 176.094 0.059 0.000 1.115 458 V CA 2.711 65.044 62.300 0.055 0.000 1.264 458 V CB 0.655 32.504 31.823 0.042 0.000 0.867 458 V HN 2.871 nan 8.190 nan 0.000 0.498 459 G N 3.344 112.185 108.800 0.068 0.000 2.176 459 G HA2 -0.141 3.819 3.960 0.001 0.000 0.253 459 G HA3 -0.141 3.819 3.960 0.001 0.000 0.253 459 G C 0.495 175.440 174.900 0.074 0.000 0.979 459 G CA 0.055 45.195 45.100 0.066 0.000 0.641 459 G HN 1.427 nan 8.290 nan 0.000 0.530 460 G N -0.734 108.112 108.800 0.077 0.000 2.528 460 G HA2 0.848 4.808 3.960 0.001 0.000 0.289 460 G HA3 0.848 4.808 3.960 0.001 0.000 0.289 460 G C 0.640 175.531 174.900 -0.015 0.000 1.192 460 G CA 0.884 46.046 45.100 0.104 0.000 0.921 460 G HN 1.914 nan 8.290 nan 0.000 0.512 461 G N -1.642 107.089 108.800 -0.115 0.000 2.343 461 G HA2 0.530 4.490 3.960 0.001 0.000 0.562 461 G HA3 0.530 4.490 3.960 0.001 0.000 0.562 461 G C -0.640 174.149 174.900 -0.185 0.000 1.269 461 G CA -0.025 44.683 45.100 -0.654 0.000 1.011 461 G HN 2.018 nan 8.290 nan 0.000 0.498 462 A N -0.918 121.844 122.820 -0.097 0.000 2.401 462 A HA 0.897 5.218 4.320 0.001 0.000 0.310 462 A C -0.777 176.939 177.584 0.219 0.000 1.075 462 A CA -0.248 51.935 52.037 0.243 0.000 0.746 462 A CB 1.904 21.264 19.000 0.601 0.000 1.277 462 A HN 2.036 nan 8.150 nan 0.000 0.425 463 L N 1.479 122.832 121.223 0.217 0.000 2.333 463 L HA 0.674 5.014 4.340 0.001 0.000 0.280 463 L C -1.690 175.384 176.870 0.340 0.000 1.004 463 L CA -0.498 54.483 54.840 0.235 0.000 0.820 463 L CB 1.184 43.261 42.059 0.030 0.000 1.247 463 L HN 0.790 nan 8.230 nan 0.000 0.416 464 W N 8.675 130.117 121.300 0.236 0.000 2.299 464 W HA 0.477 5.138 4.660 0.002 0.000 0.319 464 W C -2.384 174.264 176.519 0.216 0.000 1.008 464 W CA -2.966 54.523 57.345 0.240 0.000 1.384 464 W CB 0.911 30.550 29.460 0.297 0.000 1.220 464 W HN 0.303 nan 8.180 nan 0.000 0.402 465 P HA 0.048 nan 4.420 nan 0.000 0.268 465 P C 0.175 177.420 177.300 -0.093 0.000 1.205 465 P CA 0.354 63.503 63.100 0.082 0.000 0.771 465 P CB 1.765 33.488 31.700 0.038 0.000 0.858 466 V N 2.224 122.045 119.914 -0.155 0.000 4.566 466 V HA -0.028 4.092 4.120 0.001 0.000 0.178 466 V C 2.367 178.343 176.094 -0.197 0.000 1.015 466 V CA 1.151 63.289 62.300 -0.269 0.000 1.443 466 V CB -1.162 30.390 31.823 -0.451 0.000 2.066 466 V HN 0.573 nan 8.190 nan 0.000 0.437 467 S N 0.180 115.773 115.700 -0.177 0.000 2.400 467 S HA -0.293 4.177 4.470 0.001 0.000 0.232 467 S C 1.711 176.267 174.600 -0.074 0.000 1.025 467 S CA 1.891 60.022 58.200 -0.114 0.000 0.993 467 S CB -0.695 62.445 63.200 -0.100 0.000 0.808 467 S HN 0.600 nan 8.310 nan 0.000 0.478 468 Q N 0.859 120.627 119.800 -0.053 0.000 2.368 468 Q HA -0.146 4.194 4.340 0.001 0.000 0.210 468 Q C 2.250 178.230 176.000 -0.033 0.000 0.982 468 Q CA 1.206 56.993 55.803 -0.027 0.000 0.884 468 Q CB -0.383 28.354 28.738 -0.001 0.000 0.933 468 Q HN 0.759 nan 8.270 nan 0.000 0.460 469 Q N -0.468 119.293 119.800 -0.065 0.000 2.234 469 Q HA -0.131 4.210 4.340 0.001 0.000 0.206 469 Q C 1.078 177.065 176.000 -0.021 0.000 0.980 469 Q CA 0.854 56.620 55.803 -0.061 0.000 0.869 469 Q CB 0.033 28.693 28.738 -0.130 0.000 0.912 469 Q HN 0.502 nan 8.270 nan 0.000 0.436 470 G N 0.037 108.821 108.800 -0.027 0.000 2.601 470 G HA2 -0.392 3.568 3.960 0.001 0.000 0.224 470 G HA3 -0.392 3.568 3.960 0.001 0.000 0.224 470 G C 0.272 175.172 174.900 -0.001 0.000 1.171 470 G CA 0.185 45.282 45.100 -0.005 0.000 1.009 470 G HN 0.293 nan 8.290 nan 0.000 0.589 471 Q N 0.581 120.405 119.800 0.039 0.000 2.061 471 Q HA -0.070 4.270 4.340 0.001 0.000 0.204 471 Q C 0.782 176.796 176.000 0.023 0.000 0.984 471 Q CA 1.997 57.836 55.803 0.059 0.000 0.846 471 Q CB -0.235 28.591 28.738 0.147 0.000 0.902 471 Q HN 0.594 nan 8.270 nan 0.000 0.421 472 N N 0.949 119.671 118.700 0.037 0.000 2.511 472 N HA 0.201 4.942 4.740 0.001 0.000 0.249 472 N C -1.648 173.763 175.510 -0.166 0.000 0.971 472 N CA -0.170 52.822 53.050 -0.096 0.000 0.938 472 N CB 1.554 40.029 38.487 -0.021 0.000 1.131 472 N HN 0.106 nan 8.380 nan 0.000 0.505 473 Q N 1.738 121.381 119.800 -0.261 0.000 2.509 473 Q HA 0.233 4.574 4.340 0.001 0.000 0.236 473 Q C 0.442 176.272 176.000 -0.283 0.000 1.073 473 Q CA -0.324 55.343 55.803 -0.227 0.000 0.867 473 Q CB 0.919 29.567 28.738 -0.150 0.000 1.181 473 Q HN 0.490 nan 8.270 nan 0.000 0.526 474 R N 0.762 121.094 120.500 -0.280 0.000 2.236 474 R HA -0.044 4.297 4.340 0.001 0.000 0.208 474 R C 0.645 176.982 176.300 0.063 0.000 1.036 474 R CA 0.959 56.944 56.100 -0.192 0.000 1.001 474 R CB 0.305 30.536 30.300 -0.114 0.000 0.896 474 R HN 0.596 nan 8.270 nan 0.000 0.464 475 Y N -0.281 119.821 120.300 -0.329 0.000 2.571 475 Y HA 0.054 4.604 4.550 0.000 0.000 0.275 475 Y C 1.914 177.305 175.900 -0.849 0.000 1.179 475 Y CA -0.615 57.047 58.100 -0.731 0.000 1.242 475 Y CB 0.124 38.184 38.460 -0.668 0.000 1.126 475 Y HN 0.223 nan 8.280 nan 0.000 0.524 476 H N 1.383 120.235 119.070 -0.364 0.000 2.492 476 H HA -0.223 4.333 4.556 0.000 0.000 0.296 476 H C 1.696 176.904 175.328 -0.199 0.000 1.095 476 H CA 1.772 57.652 56.048 -0.279 0.000 1.281 476 H CB -0.212 29.434 29.762 -0.193 0.000 1.374 476 H HN 0.606 nan 8.280 nan 0.000 0.545 477 F N -0.116 119.874 119.950 0.067 0.000 2.250 477 F HA -0.013 4.514 4.527 0.001 0.000 0.301 477 F C 2.562 178.379 175.800 0.028 0.000 1.077 477 F CA 0.786 58.839 58.000 0.088 0.000 1.348 477 F CB -0.782 38.233 39.000 0.026 0.000 1.040 477 F HN 0.108 nan 8.300 nan 0.000 0.509 478 A N 1.400 123.916 122.820 -0.507 0.000 2.024 478 A HA -0.207 4.114 4.320 0.001 0.000 0.220 478 A C 1.967 179.485 177.584 -0.111 0.000 1.164 478 A CA 1.732 53.613 52.037 -0.260 0.000 0.643 478 A CB -0.918 17.677 19.000 -0.675 0.000 0.806 478 A HN 0.557 nan 8.150 nan 0.000 0.451 479 N N -0.753 117.727 118.700 -0.367 0.000 2.453 479 N HA -0.095 4.645 4.740 0.001 0.000 0.183 479 N C 1.095 176.297 175.510 -0.514 0.000 1.041 479 N CA 1.151 53.902 53.050 -0.498 0.000 0.900 479 N CB -0.246 37.758 38.487 -0.805 0.000 0.961 479 N HN 0.682 nan 8.380 nan 0.000 0.443 480 H N -0.653 118.436 119.070 0.031 0.000 2.501 480 H HA 0.485 5.041 4.556 -0.000 0.000 0.281 480 H C 0.426 175.811 175.328 0.095 0.000 0.988 480 H CA 0.464 56.549 56.048 0.062 0.000 1.232 480 H CB 0.936 30.741 29.762 0.071 0.000 1.455 480 H HN 0.067 nan 8.280 nan 0.000 0.501 481 A N 0.576 123.555 122.820 0.266 0.000 2.594 481 A HA 0.507 4.828 4.320 0.001 0.000 0.296 481 A C -1.728 176.078 177.584 0.370 0.000 1.061 481 A CA -0.556 51.599 52.037 0.197 0.000 0.689 481 A CB 1.285 20.351 19.000 0.110 0.000 1.280 481 A HN 0.225 nan 8.150 nan 0.000 0.406 482 F N -1.233 118.792 119.950 0.125 0.000 2.770 482 F HA 0.838 5.365 4.527 0.000 0.000 0.313 482 F C -1.042 174.795 175.800 0.061 0.000 1.154 482 F CA -0.558 57.530 58.000 0.147 0.000 0.923 482 F CB 1.217 40.355 39.000 0.229 0.000 1.301 482 F HN 0.481 nan 8.300 nan 0.000 0.449 483 T N 3.250 117.989 114.554 0.308 0.000 2.937 483 T HA 0.580 4.931 4.350 0.001 0.000 0.297 483 T C -1.890 172.971 174.700 0.268 0.000 0.991 483 T CA -0.320 61.859 62.100 0.133 0.000 0.990 483 T CB 1.362 70.215 68.868 -0.026 0.000 0.991 483 T HN 0.800 nan 8.240 nan 0.000 0.440 484 L N 5.392 126.751 121.223 0.227 0.000 2.305 484 L HA 0.798 5.139 4.340 0.001 0.000 0.284 484 L C -0.978 175.881 176.870 -0.019 0.000 1.013 484 L CA -0.413 54.430 54.840 0.004 0.000 0.819 484 L CB 1.106 43.059 42.059 -0.177 0.000 1.227 484 L HN 0.452 nan 8.230 nan 0.000 0.417 485 V N 4.059 123.959 119.914 -0.023 0.000 2.815 485 V HA 1.013 5.134 4.120 0.001 0.000 0.314 485 V C -0.218 175.820 176.094 -0.092 0.000 1.064 485 V CA -0.162 62.088 62.300 -0.084 0.000 0.952 485 V CB 1.612 33.416 31.823 -0.032 0.000 1.020 485 V HN 1.018 nan 8.190 nan 0.000 0.439 486 A N 2.000 124.714 122.820 -0.176 0.000 2.594 486 A HA 0.723 5.044 4.320 0.001 0.000 0.296 486 A C -0.781 176.762 177.584 -0.069 0.000 1.056 486 A CA -0.552 51.445 52.037 -0.067 0.000 0.693 486 A CB 1.548 20.536 19.000 -0.020 0.000 1.278 486 A HN 0.666 nan 8.150 nan 0.000 0.408 487 S N 0.296 116.041 115.700 0.076 0.000 2.525 487 S HA 0.682 5.152 4.470 0.001 0.000 0.278 487 S C 0.035 174.712 174.600 0.127 0.000 1.234 487 S CA -0.104 58.178 58.200 0.136 0.000 1.058 487 S CB 1.180 64.494 63.200 0.190 0.000 0.983 487 S HN 1.946 nan 8.310 nan 0.000 0.495 488 V N 0.446 120.439 119.914 0.130 0.000 2.971 488 V HA 0.891 5.012 4.120 0.001 0.000 0.309 488 V C -0.809 175.342 176.094 0.095 0.000 1.130 488 V CA -0.514 61.843 62.300 0.095 0.000 0.964 488 V CB 2.032 33.877 31.823 0.036 0.000 1.029 488 V HN 0.714 nan 8.190 nan 0.000 0.427 489 T N 5.276 119.816 114.554 -0.024 0.000 2.928 489 T HA 0.647 4.997 4.350 0.001 0.000 0.296 489 T C -0.521 173.910 174.700 -0.448 0.000 1.000 489 T CA -0.143 61.878 62.100 -0.132 0.000 0.989 489 T CB 1.223 70.037 68.868 -0.089 0.000 1.005 489 T HN 0.727 nan 8.240 nan 0.000 0.442 490 I N 3.345 123.655 120.570 -0.435 0.000 2.331 490 I HA 0.302 4.473 4.170 0.001 0.000 0.292 490 I C 0.868 176.762 176.117 -0.371 0.000 0.998 490 I CA -0.728 60.252 61.300 -0.534 0.000 1.267 490 I CB 1.036 38.582 38.000 -0.756 0.000 1.386 490 I HN 0.740 nan 8.210 nan 0.000 0.476 491 H N 4.506 123.598 119.070 0.037 0.000 2.586 491 H HA 0.375 4.932 4.556 0.001 0.000 0.273 491 H C -0.324 175.071 175.328 0.112 0.000 0.997 491 H CA 0.239 56.336 56.048 0.082 0.000 1.177 491 H CB 0.559 30.359 29.762 0.063 0.000 1.471 491 H HN 0.596 nan 8.280 nan 0.000 0.538 492 E N 0.122 120.454 120.200 0.220 0.000 2.372 492 E HA 0.229 4.580 4.350 0.001 0.000 0.279 492 E C -1.132 175.612 176.600 0.239 0.000 0.946 492 E CA -0.655 55.868 56.400 0.205 0.000 0.769 492 E CB 3.365 33.167 29.700 0.170 0.000 1.230 492 E HN -0.157 nan 8.360 nan 0.000 0.442 493 V N 3.204 123.250 119.914 0.219 0.000 2.637 493 V HA 0.249 4.370 4.120 0.001 0.000 0.296 493 V C -2.046 174.141 176.094 0.154 0.000 1.046 493 V CA -1.164 61.257 62.300 0.203 0.000 1.066 493 V CB 0.773 32.657 31.823 0.102 0.000 0.968 493 V HN 0.540 nan 8.190 nan 0.000 0.483 494 P HA 0.371 nan 4.420 nan 0.000 0.279 494 P C -0.231 177.075 177.300 0.010 0.000 1.252 494 P CA -0.584 62.537 63.100 0.034 0.000 0.811 494 P CB 0.933 32.561 31.700 -0.119 0.000 1.035 495 K N -0.165 120.234 120.400 -0.002 0.000 2.296 495 K HA 0.246 4.566 4.320 0.001 0.000 0.200 495 K C 1.127 177.718 176.600 -0.015 0.000 1.048 495 K CA 0.631 56.919 56.287 0.001 0.000 0.966 495 K CB -0.006 32.498 32.500 0.006 0.000 0.754 495 K HN 0.680 nan 8.250 nan 0.000 0.466 496 G N -0.038 108.736 108.800 -0.044 0.000 2.608 496 G HA2 0.496 4.456 3.960 0.001 0.000 0.291 496 G HA3 0.496 4.456 3.960 0.001 0.000 0.291 496 G C -1.611 173.221 174.900 -0.113 0.000 1.425 496 G CA -0.652 44.416 45.100 -0.053 0.000 0.787 496 G HN 0.080 nan 8.290 nan 0.000 0.484 497 A N 0.056 122.820 122.820 -0.093 0.000 2.584 497 A HA 0.516 4.837 4.320 0.001 0.000 0.239 497 A C 0.591 178.052 177.584 -0.205 0.000 1.043 497 A CA 1.006 52.962 52.037 -0.134 0.000 0.756 497 A CB -0.344 18.626 19.000 -0.050 0.000 0.963 497 A HN 1.480 nan 8.150 nan 0.000 0.511 498 S N 4.057 119.510 115.700 -0.411 0.000 2.546 498 S HA 0.727 5.198 4.470 0.001 0.000 0.274 498 S C -2.994 171.376 174.600 -0.384 0.000 1.121 498 S CA -1.029 56.898 58.200 -0.455 0.000 0.887 498 S CB 2.287 65.123 63.200 -0.608 0.000 1.094 498 S HN 0.704 nan 8.310 nan 0.000 0.474 499 P HA 0.385 nan 4.420 nan 0.000 0.282 499 P C -0.380 176.981 177.300 0.103 0.000 1.249 499 P CA -0.409 62.609 63.100 -0.136 0.000 0.806 499 P CB 1.236 32.534 31.700 -0.669 0.000 0.984 500 L N 2.038 123.371 121.223 0.184 0.000 2.641 500 L HA 0.462 4.803 4.340 0.001 0.000 0.207 500 L C 0.190 177.101 176.870 0.068 0.000 1.049 500 L CA 0.648 55.555 54.840 0.112 0.000 0.866 500 L CB -0.430 41.663 42.059 0.057 0.000 1.264 500 L HN 0.312 nan 8.230 nan 0.000 0.483 501 L N -1.236 120.017 121.223 0.049 0.000 2.545 501 L HA 0.733 5.073 4.340 0.001 0.000 0.258 501 L C -0.878 175.736 176.870 -0.428 0.000 0.942 501 L CA 0.390 55.135 54.840 -0.157 0.000 0.855 501 L CB 1.948 43.930 42.059 -0.128 0.000 1.374 501 L HN 0.149 nan 8.230 nan 0.000 0.411 502 G N 1.970 110.187 108.800 -0.971 0.000 2.338 502 G HA2 0.636 4.596 3.960 0.001 0.000 0.295 502 G HA3 0.636 4.596 3.960 0.001 0.000 0.295 502 G C -2.096 172.433 174.900 -0.619 0.000 1.461 502 G CA -0.161 44.407 45.100 -0.887 0.000 0.817 502 G HN 0.882 nan 8.290 nan 0.000 0.556 503 A N 0.203 122.945 122.820 -0.130 0.000 2.249 503 A HA 0.790 5.110 4.320 0.001 0.000 0.314 503 A C 0.370 177.915 177.584 -0.065 0.000 1.290 503 A CA 0.143 52.112 52.037 -0.112 0.000 0.893 503 A CB 1.099 20.054 19.000 -0.076 0.000 1.165 503 A HN 1.652 nan 8.150 nan 0.000 0.530 504 S N 1.980 117.572 115.700 -0.179 0.000 2.525 504 S HA 0.419 4.889 4.470 0.001 0.000 0.278 504 S C 0.775 175.229 174.600 -0.245 0.000 1.234 504 S CA -0.671 57.434 58.200 -0.160 0.000 1.058 504 S CB 0.319 63.265 63.200 -0.424 0.000 0.983 504 S HN 0.519 nan 8.310 nan 0.000 0.495 505 L N 3.544 124.689 121.223 -0.130 0.000 2.240 505 L HA 0.230 4.570 4.340 0.001 0.000 0.211 505 L C 0.885 177.696 176.870 -0.098 0.000 1.106 505 L CA 1.124 55.893 54.840 -0.119 0.000 0.793 505 L CB -0.780 41.234 42.059 -0.074 0.000 0.927 505 L HN 0.792 nan 8.230 nan 0.000 0.446 506 D N -4.133 116.222 120.400 -0.075 0.000 2.654 506 D HA 0.121 4.762 4.640 0.001 0.000 0.255 506 D C 1.084 177.410 176.300 0.043 0.000 1.101 506 D CA -0.050 53.932 54.000 -0.030 0.000 1.116 506 D CB 0.562 41.339 40.800 -0.037 0.000 1.348 506 D HN -0.226 nan 8.370 nan 0.000 0.609 507 S N -0.895 114.834 115.700 0.048 0.000 2.399 507 S HA -0.161 4.309 4.470 0.001 0.000 0.231 507 S C 1.681 176.343 174.600 0.103 0.000 1.022 507 S CA 2.045 60.301 58.200 0.094 0.000 0.983 507 S CB -0.689 62.521 63.200 0.017 0.000 0.803 507 S HN 0.535 nan 8.310 nan 0.000 0.480 508 S N -0.421 115.277 115.700 -0.002 0.000 2.371 508 S HA 0.402 4.872 4.470 0.001 0.000 0.221 508 S C 1.824 176.307 174.600 -0.194 0.000 1.036 508 S CA 0.958 59.087 58.200 -0.118 0.000 0.965 508 S CB -0.685 62.398 63.200 -0.194 0.000 0.845 508 S HN 1.228 nan 8.310 nan 0.000 0.475 509 G N 0.131 108.832 108.800 -0.165 0.000 2.255 509 G HA2 -0.096 3.864 3.960 0.001 0.000 0.196 509 G HA3 -0.096 3.864 3.960 0.001 0.000 0.196 509 G C 0.995 175.733 174.900 -0.271 0.000 0.998 509 G CA 0.143 45.108 45.100 -0.225 0.000 0.656 509 G HN 0.897 nan 8.290 nan 0.000 0.490 510 G N 0.395 109.019 108.800 -0.293 0.000 2.450 510 G HA2 0.343 4.304 3.960 0.001 0.000 0.220 510 G HA3 0.343 4.304 3.960 0.001 0.000 0.220 510 G C 0.867 175.714 174.900 -0.089 0.000 1.130 510 G CA 2.157 47.139 45.100 -0.198 0.000 0.760 510 G HN 1.576 nan 8.290 nan 0.000 0.557 511 K N 0.711 121.069 120.400 -0.070 0.000 2.265 511 K HA 0.699 5.019 4.320 0.001 0.000 0.267 511 K C -0.403 176.191 176.600 -0.011 0.000 0.994 511 K CA -0.714 55.553 56.287 -0.034 0.000 0.860 511 K CB 0.717 33.195 32.500 -0.038 0.000 1.099 511 K HN 0.351 nan 8.250 nan 0.000 0.448 512 K N 2.365 122.779 120.400 0.023 0.000 2.345 512 K HA 0.356 4.677 4.320 0.001 0.000 0.255 512 K C 0.659 177.285 176.600 0.044 0.000 0.934 512 K CA -0.811 55.515 56.287 0.065 0.000 0.801 512 K CB 1.986 34.561 32.500 0.126 0.000 1.137 512 K HN 0.436 nan 8.250 nan 0.000 0.424 513 L N 3.481 124.725 121.223 0.035 0.000 2.044 513 L HA 0.136 4.477 4.340 0.001 0.000 0.205 513 L C -0.233 176.682 176.870 0.075 0.000 1.075 513 L CA 1.693 56.559 54.840 0.044 0.000 0.747 513 L CB 0.119 42.201 42.059 0.038 0.000 0.903 513 L HN 0.601 nan 8.230 nan 0.000 0.435 514 L N -0.722 120.555 121.223 0.090 0.000 2.666 514 L HA 0.697 5.038 4.340 0.001 0.000 0.259 514 L C -0.750 176.142 176.870 0.037 0.000 0.919 514 L CA 0.516 55.386 54.840 0.051 0.000 0.927 514 L CB 1.340 43.456 42.059 0.095 0.000 1.423 514 L HN 0.153 nan 8.230 nan 0.000 0.426 515 G N 2.918 111.689 108.800 -0.048 0.000 2.623 515 G HA2 0.587 4.548 3.960 0.001 0.000 0.290 515 G HA3 0.587 4.548 3.960 0.001 0.000 0.290 515 G C -2.665 172.189 174.900 -0.076 0.000 1.437 515 G CA -0.700 44.393 45.100 -0.013 0.000 0.798 515 G HN 0.735 nan 8.290 nan 0.000 0.488 516 L N 0.896 122.103 121.223 -0.026 0.000 2.349 516 L HA 0.818 5.159 4.340 0.001 0.000 0.278 516 L C 0.006 176.931 176.870 0.093 0.000 0.996 516 L CA -0.310 54.509 54.840 -0.035 0.000 0.825 516 L CB 1.565 43.540 42.059 -0.139 0.000 1.243 516 L HN 0.527 nan 8.230 nan 0.000 0.412 517 S N 3.067 118.845 115.700 0.130 0.000 2.766 517 S HA 0.786 5.257 4.470 0.001 0.000 0.307 517 S C -1.370 173.425 174.600 0.325 0.000 1.121 517 S CA -0.309 57.997 58.200 0.178 0.000 0.980 517 S CB 1.526 64.761 63.200 0.058 0.000 1.159 517 S HN 0.565 nan 8.310 nan 0.000 0.546 518 Y N -0.430 119.902 120.300 0.053 0.000 2.562 518 Y HA 0.785 5.336 4.550 0.001 0.000 0.345 518 Y C -1.125 174.820 175.900 0.075 0.000 1.045 518 Y CA -1.238 56.878 58.100 0.026 0.000 1.028 518 Y CB 0.998 39.223 38.460 -0.392 0.000 1.297 518 Y HN 0.651 nan 8.280 nan 0.000 0.463 519 D N 0.451 120.956 120.400 0.175 0.000 2.585 519 D HA 0.224 4.864 4.640 0.001 0.000 0.254 519 D C 0.362 176.717 176.300 0.091 0.000 1.067 519 D CA -1.003 53.027 54.000 0.050 0.000 1.090 519 D CB 1.441 42.275 40.800 0.056 0.000 1.408 519 D HN 0.744 nan 8.370 nan 0.000 0.554 520 K N -0.387 120.023 120.400 0.015 0.000 2.209 520 K HA -0.060 4.260 4.320 0.001 0.000 0.204 520 K C 1.072 177.670 176.600 -0.003 0.000 1.048 520 K CA 0.772 57.059 56.287 0.001 0.000 0.940 520 K CB -0.081 32.423 32.500 0.006 0.000 0.729 520 K HN 0.218 nan 8.250 nan 0.000 0.451 521 R N 0.485 120.990 120.500 0.008 0.000 2.363 521 R HA 0.112 4.452 4.340 0.001 0.000 0.236 521 R C -0.391 175.894 176.300 -0.025 0.000 0.966 521 R CA 0.052 56.164 56.100 0.021 0.000 1.100 521 R CB -0.357 29.946 30.300 0.005 0.000 1.125 521 R HN 0.404 nan 8.270 nan 0.000 0.514 522 H N -0.728 118.131 119.070 -0.352 0.000 2.921 522 H HA -0.197 4.360 4.556 0.001 0.000 0.281 522 H C -0.361 174.468 175.328 -0.831 0.000 1.165 522 H CA 0.821 56.248 56.048 -1.035 0.000 1.151 522 H CB -1.083 27.989 29.762 -1.151 0.000 1.311 522 H HN 0.452 nan 8.280 nan 0.000 0.361 523 Q N -0.506 119.232 119.800 -0.104 0.000 2.215 523 Q HA 0.253 4.594 4.340 0.001 0.000 0.256 523 Q C 0.094 176.251 176.000 0.261 0.000 0.972 523 Q CA -0.620 55.199 55.803 0.025 0.000 0.889 523 Q CB 1.226 30.003 28.738 0.065 0.000 1.281 523 Q HN 0.189 nan 8.270 nan 0.000 0.456 524 W N 1.030 122.507 121.300 0.295 0.000 2.251 524 W HA 0.202 4.862 4.660 0.001 0.000 0.329 524 W C 0.192 176.778 176.519 0.111 0.000 1.234 524 W CA -0.353 57.104 57.345 0.185 0.000 1.228 524 W CB 0.814 30.324 29.460 0.084 0.000 1.135 524 W HN 0.297 nan 8.180 nan 0.000 0.576 525 Q N 4.177 124.182 119.800 0.342 0.000 2.558 525 Q HA 0.210 4.550 4.340 0.001 0.000 0.252 525 Q C -2.332 173.720 176.000 0.086 0.000 1.015 525 Q CA -1.901 54.009 55.803 0.179 0.000 0.720 525 Q CB 1.631 30.445 28.738 0.127 0.000 1.215 525 Q HN 0.035 nan 8.270 nan 0.000 0.500 526 P HA 0.226 nan 4.420 nan 0.000 0.281 526 P C -0.592 176.526 177.300 -0.303 0.000 1.252 526 P CA -0.221 62.750 63.100 -0.215 0.000 0.778 526 P CB 1.109 32.632 31.700 -0.295 0.000 0.895 527 I N 4.461 124.817 120.570 -0.357 0.000 2.355 527 I HA 0.266 4.437 4.170 0.001 0.000 0.288 527 I C -0.254 175.651 176.117 -0.354 0.000 0.999 527 I CA -0.697 60.468 61.300 -0.225 0.000 1.163 527 I CB 0.661 38.634 38.000 -0.047 0.000 1.316 527 I HN 0.243 nan 8.210 nan 0.000 0.454 528 Y N 5.260 125.574 120.300 0.023 0.000 2.402 528 Y HA 0.578 5.129 4.550 0.001 0.000 0.332 528 Y C 1.218 177.126 175.900 0.013 0.000 0.960 528 Y CA -0.402 57.704 58.100 0.009 0.000 1.228 528 Y CB 1.102 39.556 38.460 -0.010 0.000 1.120 528 Y HN 0.877 nan 8.280 nan 0.000 0.491 529 G N 1.999 110.872 108.800 0.122 0.000 2.672 529 G HA2 -0.407 3.553 3.960 0.001 0.000 0.324 529 G HA3 -0.407 3.553 3.960 0.001 0.000 0.324 529 G C 1.042 175.981 174.900 0.065 0.000 1.286 529 G CA 0.882 46.029 45.100 0.078 0.000 1.004 529 G HN 1.021 nan 8.290 nan 0.000 0.548 530 S N -0.531 115.201 115.700 0.053 0.000 2.582 530 S HA 0.482 4.952 4.470 0.001 0.000 0.234 530 S C 0.668 175.297 174.600 0.049 0.000 0.961 530 S CA 0.958 59.182 58.200 0.041 0.000 0.953 530 S CB 0.262 63.475 63.200 0.022 0.000 0.800 530 S HN 0.848 nan 8.310 nan 0.000 0.471 531 T N 5.091 119.690 114.554 0.075 0.000 2.918 531 T HA 0.356 4.706 4.350 0.001 0.000 0.302 531 T C -2.569 172.178 174.700 0.078 0.000 1.045 531 T CA -0.751 61.393 62.100 0.074 0.000 1.114 531 T CB 0.457 69.383 68.868 0.097 0.000 0.965 531 T HN 0.228 nan 8.240 nan 0.000 0.540 532 P HA 0.142 nan 4.420 nan 0.000 0.265 532 P C -0.739 176.609 177.300 0.079 0.000 1.193 532 P CA -0.301 62.832 63.100 0.056 0.000 0.765 532 P CB 0.248 31.971 31.700 0.039 0.000 0.823 533 V N 3.397 123.356 119.914 0.075 0.000 2.455 533 V HA 0.194 4.314 4.120 0.001 0.000 0.273 533 V C 0.959 177.104 176.094 0.086 0.000 1.045 533 V CA 0.138 62.492 62.300 0.091 0.000 0.976 533 V CB 0.652 32.516 31.823 0.069 0.000 0.993 533 V HN 0.671 nan 8.190 nan 0.000 0.475 534 T N 6.483 121.101 114.554 0.107 0.000 2.756 534 T HA 0.499 4.850 4.350 0.001 0.000 0.290 534 T C -2.386 172.379 174.700 0.109 0.000 0.985 534 T CA -2.011 60.143 62.100 0.091 0.000 0.955 534 T CB 1.367 70.280 68.868 0.075 0.000 0.930 534 T HN 0.437 nan 8.240 nan 0.000 0.451 535 P HA 0.375 nan 4.420 nan 0.000 0.267 535 P C -0.354 177.021 177.300 0.125 0.000 1.200 535 P CA -0.028 63.143 63.100 0.119 0.000 0.772 535 P CB 0.769 32.524 31.700 0.092 0.000 0.855 536 T N -0.008 114.649 114.554 0.171 0.000 2.769 536 T HA 0.571 4.921 4.350 0.001 0.000 0.306 536 T C -0.109 174.724 174.700 0.223 0.000 1.400 536 T CA 0.468 62.667 62.100 0.164 0.000 1.007 536 T CB 0.625 69.584 68.868 0.152 0.000 1.392 536 T HN 0.734 nan 8.240 nan 0.000 0.500 537 G N 1.774 110.682 108.800 0.179 0.000 2.633 537 G HA2 0.051 4.012 3.960 0.001 0.000 0.263 537 G HA3 0.051 4.012 3.960 0.001 0.000 0.263 537 G C -0.067 174.885 174.900 0.087 0.000 1.310 537 G CA 0.340 45.563 45.100 0.206 0.000 0.914 537 G HN 1.611 nan 8.290 nan 0.000 0.569 538 S N -0.471 115.253 115.700 0.040 0.000 2.537 538 S HA 0.727 5.198 4.470 0.001 0.000 0.270 538 S C -1.111 173.371 174.600 -0.195 0.000 1.142 538 S CA 0.342 58.450 58.200 -0.153 0.000 0.870 538 S CB 0.973 64.133 63.200 -0.067 0.000 1.112 538 S HN 1.738 nan 8.310 nan 0.000 0.466 539 W N 2.640 123.702 121.300 -0.397 0.000 3.107 539 W HA 0.702 5.363 4.660 0.001 0.000 0.331 539 W C -1.206 175.325 176.519 0.021 0.000 1.204 539 W CA -0.772 56.350 57.345 -0.371 0.000 1.184 539 W CB 0.657 29.340 29.460 -1.295 0.000 1.421 539 W HN 0.470 nan 8.180 nan 0.000 0.544 540 E N 3.179 123.728 120.200 0.582 0.000 2.207 540 E HA 0.314 4.664 4.350 0.001 0.000 0.270 540 E C -0.303 176.661 176.600 0.605 0.000 0.927 540 E CA -1.309 55.320 56.400 0.383 0.000 0.799 540 E CB 2.944 32.783 29.700 0.233 0.000 1.172 540 E HN 0.609 nan 8.360 nan 0.000 0.404 541 M N 0.794 120.674 119.600 0.466 0.000 2.228 541 M HA 0.292 4.772 4.480 0.001 0.000 0.351 541 M C 0.777 177.235 176.300 0.263 0.000 1.233 541 M CA 1.280 56.843 55.300 0.437 0.000 1.129 541 M CB 0.165 32.993 32.600 0.380 0.000 1.604 541 M HN 0.746 nan 8.290 nan 0.000 0.457 542 G N 3.489 112.412 108.800 0.204 0.000 2.199 542 G HA2 -0.291 3.670 3.960 0.001 0.000 0.254 542 G HA3 -0.291 3.670 3.960 0.001 0.000 0.254 542 G C 0.082 175.036 174.900 0.091 0.000 0.982 542 G CA 0.499 45.688 45.100 0.149 0.000 0.632 542 G HN 0.762 nan 8.290 nan 0.000 0.529 543 K N 0.816 121.268 120.400 0.087 0.000 2.322 543 K HA 0.430 4.751 4.320 0.001 0.000 0.283 543 K C 0.719 177.186 176.600 -0.221 0.000 1.042 543 K CA -0.721 55.497 56.287 -0.115 0.000 0.958 543 K CB 0.326 32.656 32.500 -0.285 0.000 0.984 543 K HN 0.261 nan 8.250 nan 0.000 0.473 544 R N 3.858 124.248 120.500 -0.182 0.000 2.296 544 R HA 0.078 4.419 4.340 0.001 0.000 0.323 544 R C -1.241 174.973 176.300 -0.145 0.000 1.067 544 R CA 0.111 56.165 56.100 -0.076 0.000 0.946 544 R CB 0.218 30.522 30.300 0.006 0.000 0.991 544 R HN 0.493 nan 8.270 nan 0.000 0.448 545 Y N 2.306 122.718 120.300 0.187 0.000 2.409 545 Y HA 0.228 4.779 4.550 0.001 0.000 0.339 545 Y C 0.274 176.292 175.900 0.197 0.000 1.033 545 Y CA -0.760 57.477 58.100 0.228 0.000 1.094 545 Y CB 1.506 40.121 38.460 0.259 0.000 1.210 545 Y HN 0.487 nan 8.280 nan 0.000 0.456 546 H N 2.994 122.258 119.070 0.323 0.000 2.552 546 H HA 0.511 5.067 4.556 0.001 0.000 0.311 546 H C -1.433 173.938 175.328 0.071 0.000 1.071 546 H CA -0.281 55.901 56.048 0.223 0.000 1.307 546 H CB 0.892 30.890 29.762 0.393 0.000 1.416 546 H HN 0.458 nan 8.280 nan 0.000 0.464 547 V N 6.299 126.035 119.914 -0.298 0.000 2.495 547 V HA 0.289 4.410 4.120 0.001 0.000 0.298 547 V C -0.359 175.558 176.094 -0.295 0.000 1.031 547 V CA -0.753 61.387 62.300 -0.267 0.000 0.871 547 V CB 1.864 33.535 31.823 -0.253 0.000 0.988 547 V HN 0.504 nan 8.190 nan 0.000 0.432 548 V N 5.940 125.777 119.914 -0.129 0.000 2.577 548 V HA 0.501 4.621 4.120 0.001 0.000 0.303 548 V C -0.569 175.551 176.094 0.043 0.000 1.042 548 V CA -0.496 61.773 62.300 -0.051 0.000 0.872 548 V CB 1.902 33.714 31.823 -0.017 0.000 0.998 548 V HN 0.671 nan 8.190 nan 0.000 0.423 549 L N 4.868 126.095 121.223 0.007 0.000 2.287 549 L HA 0.749 5.089 4.340 0.001 0.000 0.287 549 L C 0.367 177.189 176.870 -0.081 0.000 1.022 549 L CA -0.286 54.555 54.840 0.002 0.000 0.814 549 L CB 1.842 43.927 42.059 0.043 0.000 1.217 549 L HN 0.800 nan 8.230 nan 0.000 0.420 550 T N 0.725 115.212 114.554 -0.111 0.000 2.912 550 T HA 0.735 5.086 4.350 0.001 0.000 0.288 550 T C -0.462 173.997 174.700 -0.403 0.000 1.030 550 T CA -0.794 61.145 62.100 -0.268 0.000 1.020 550 T CB 2.524 71.344 68.868 -0.080 0.000 1.056 550 T HN 0.454 nan 8.240 nan 0.000 0.480 551 M N 2.128 121.380 119.600 -0.578 0.000 2.238 551 M HA 0.665 5.145 4.480 0.001 0.000 0.278 551 M C -1.925 174.233 176.300 -0.236 0.000 1.040 551 M CA -0.377 54.663 55.300 -0.433 0.000 0.969 551 M CB 1.389 33.607 32.600 -0.636 0.000 1.694 551 M HN 1.236 nan 8.290 nan 0.000 0.472 552 A N 3.880 126.633 122.820 -0.111 0.000 2.604 552 A HA 0.648 4.968 4.320 0.001 0.000 0.295 552 A C -0.227 177.346 177.584 -0.018 0.000 1.067 552 A CA -0.518 51.493 52.037 -0.043 0.000 0.683 552 A CB 0.998 19.974 19.000 -0.041 0.000 1.281 552 A HN 0.872 nan 8.150 nan 0.000 0.407 553 N N 0.899 119.606 118.700 0.010 0.000 2.716 553 N HA -0.199 4.542 4.740 0.001 0.000 0.250 553 N C 0.133 175.647 175.510 0.008 0.000 1.033 553 N CA 1.615 54.675 53.050 0.016 0.000 0.727 553 N CB -1.048 37.443 38.487 0.006 0.000 0.950 553 N HN 0.888 nan 8.380 nan 0.000 0.541 554 K N -2.736 117.669 120.400 0.008 0.000 3.349 554 K HA -0.215 4.105 4.320 0.001 0.000 0.310 554 K C -0.037 176.559 176.600 -0.006 0.000 1.267 554 K CA 1.203 57.491 56.287 0.003 0.000 0.920 554 K CB -1.095 31.410 32.500 0.008 0.000 1.240 554 K HN 0.475 nan 8.250 nan 0.000 0.453 555 I N 0.341 120.900 120.570 -0.017 0.000 2.493 555 I HA 0.385 4.556 4.170 0.001 0.000 0.298 555 I C 0.735 176.837 176.117 -0.025 0.000 0.998 555 I CA -0.595 60.691 61.300 -0.024 0.000 1.137 555 I CB 1.956 39.936 38.000 -0.033 0.000 1.310 555 I HN 0.091 nan 8.210 nan 0.000 0.445 556 G N 3.148 111.957 108.800 0.015 0.000 2.461 556 G HA2 0.687 4.647 3.960 0.001 0.000 0.323 556 G HA3 0.687 4.647 3.960 0.001 0.000 0.323 556 G C -1.145 173.820 174.900 0.108 0.000 1.229 556 G CA -0.294 44.843 45.100 0.062 0.000 0.941 556 G HN 0.515 nan 8.290 nan 0.000 0.477 557 S N -0.655 115.072 115.700 0.044 0.000 2.599 557 S HA 0.749 5.220 4.470 0.001 0.000 0.287 557 S C -0.829 173.726 174.600 -0.076 0.000 1.105 557 S CA -0.585 57.601 58.200 -0.022 0.000 0.899 557 S CB 2.240 65.378 63.200 -0.103 0.000 1.100 557 S HN 0.561 nan 8.310 nan 0.000 0.482 558 V N 2.592 122.365 119.914 -0.235 0.000 2.569 558 V HA 0.476 4.596 4.120 0.001 0.000 0.301 558 V C -1.849 174.003 176.094 -0.403 0.000 1.044 558 V CA -0.607 61.557 62.300 -0.227 0.000 0.874 558 V CB 1.223 32.925 31.823 -0.202 0.000 1.002 558 V HN 0.873 nan 8.190 nan 0.000 0.424 559 Y N 4.461 124.679 120.300 -0.136 0.000 2.393 559 Y HA 0.703 5.253 4.550 0.001 0.000 0.341 559 Y C 0.058 175.837 175.900 -0.201 0.000 0.988 559 Y CA -0.885 57.133 58.100 -0.135 0.000 1.078 559 Y CB 1.942 40.346 38.460 -0.093 0.000 1.203 559 Y HN 0.424 nan 8.280 nan 0.000 0.453 560 I N 3.162 123.689 120.570 -0.072 0.000 2.436 560 I HA 0.215 4.386 4.170 0.001 0.000 0.289 560 I C -0.647 175.433 176.117 -0.061 0.000 1.010 560 I CA -0.601 60.616 61.300 -0.138 0.000 1.098 560 I CB 1.662 39.465 38.000 -0.329 0.000 1.266 560 I HN 0.708 nan 8.210 nan 0.000 0.434 561 D N 5.035 125.410 120.400 -0.042 0.000 2.955 561 D HA -0.209 4.431 4.640 0.001 0.000 0.226 561 D C 1.041 176.702 176.300 -1.065 0.000 1.178 561 D CA 1.840 55.541 54.000 -0.498 0.000 0.808 561 D CB -0.899 39.775 40.800 -0.210 0.000 1.099 561 D HN 1.139 nan 8.370 nan 0.000 0.421 562 G N -1.538 107.002 108.800 -0.433 0.000 2.195 562 G HA2 -0.256 3.705 3.960 0.001 0.000 0.224 562 G HA3 -0.256 3.705 3.960 0.001 0.000 0.224 562 G C -0.123 174.739 174.900 -0.063 0.000 0.990 562 G CA 0.207 45.121 45.100 -0.310 0.000 0.639 562 G HN 0.324 nan 8.290 nan 0.000 0.514 563 E N 1.020 121.224 120.200 0.006 0.000 2.212 563 E HA 0.576 4.927 4.350 0.001 0.000 0.268 563 E C -2.608 174.061 176.600 0.115 0.000 0.902 563 E CA -2.340 54.117 56.400 0.096 0.000 0.779 563 E CB 1.872 31.582 29.700 0.016 0.000 1.172 563 E HN 0.144 nan 8.360 nan 0.000 0.409 564 P HA 0.150 nan 4.420 nan 0.000 0.272 564 P C 0.023 177.220 177.300 -0.171 0.000 1.230 564 P CA -0.148 62.753 63.100 -0.333 0.000 0.788 564 P CB 0.687 32.178 31.700 -0.347 0.000 0.949 565 L N -0.178 120.933 121.223 -0.188 0.000 2.635 565 L HA 0.373 4.714 4.340 0.001 0.000 0.250 565 L C 1.076 177.930 176.870 -0.025 0.000 1.117 565 L CA -0.968 53.836 54.840 -0.060 0.000 0.834 565 L CB 0.113 42.151 42.059 -0.034 0.000 1.544 565 L HN 0.369 nan 8.230 nan 0.000 0.511 566 E N -0.234 119.987 120.200 0.035 0.000 2.376 566 E HA 0.192 4.543 4.350 0.001 0.000 0.266 566 E C 0.800 177.410 176.600 0.018 0.000 1.009 566 E CA 0.776 57.194 56.400 0.030 0.000 0.902 566 E CB 0.474 30.212 29.700 0.062 0.000 0.972 566 E HN 0.680 nan 8.360 nan 0.000 0.439 567 G N 3.272 112.032 108.800 -0.066 0.000 2.189 567 G HA2 -0.359 3.601 3.960 0.001 0.000 0.267 567 G HA3 -0.359 3.601 3.960 0.001 0.000 0.267 567 G C 0.457 175.134 174.900 -0.371 0.000 0.975 567 G CA 0.453 45.438 45.100 -0.192 0.000 0.644 567 G HN 0.651 nan 8.290 nan 0.000 0.537 568 S N 0.186 115.767 115.700 -0.197 0.000 2.573 568 S HA 0.419 4.890 4.470 0.001 0.000 0.297 568 S C 1.475 175.923 174.600 -0.253 0.000 1.280 568 S CA 1.810 59.898 58.200 -0.187 0.000 1.061 568 S CB 0.159 63.236 63.200 -0.205 0.000 0.812 568 S HN 2.220 nan 8.310 nan 0.000 0.500 569 G N 3.160 111.821 108.800 -0.232 0.000 2.215 569 G HA2 -0.151 3.809 3.960 0.001 0.000 0.198 569 G HA3 -0.151 3.809 3.960 0.001 0.000 0.198 569 G C -0.342 174.431 174.900 -0.213 0.000 1.047 569 G CA -0.289 44.709 45.100 -0.170 0.000 0.747 569 G HN 0.683 nan 8.290 nan 0.000 0.495 570 Q N -0.028 119.581 119.800 -0.319 0.000 2.215 570 Q HA 0.615 4.956 4.340 0.001 0.000 0.256 570 Q C 0.311 176.245 176.000 -0.110 0.000 0.972 570 Q CA -0.490 55.143 55.803 -0.283 0.000 0.889 570 Q CB 1.184 29.604 28.738 -0.530 0.000 1.281 570 Q HN 0.243 nan 8.270 nan 0.000 0.456 571 T N 0.829 115.339 114.554 -0.073 0.000 2.901 571 T HA 0.138 4.489 4.350 0.001 0.000 0.301 571 T C 0.750 175.461 174.700 0.018 0.000 1.012 571 T CA -0.161 61.926 62.100 -0.022 0.000 1.135 571 T CB 0.528 69.382 68.868 -0.023 0.000 0.936 571 T HN 0.543 nan 8.240 nan 0.000 0.539 572 V N 0.779 120.713 119.914 0.033 0.000 3.382 572 V HA 0.552 4.673 4.120 0.001 0.000 0.296 572 V C 0.090 176.202 176.094 0.030 0.000 1.529 572 V CA -0.374 61.961 62.300 0.057 0.000 1.048 572 V CB 0.206 32.079 31.823 0.084 0.000 0.878 572 V HN 0.626 nan 8.190 nan 0.000 0.442 573 V N -0.067 119.855 119.914 0.015 0.000 2.777 573 V HA 0.758 4.878 4.120 0.001 0.000 0.306 573 V C -3.031 173.066 176.094 0.004 0.000 1.112 573 V CA -1.887 60.415 62.300 0.004 0.000 0.917 573 V CB 2.239 34.057 31.823 -0.008 0.000 1.018 573 V HN 0.207 nan 8.190 nan 0.000 0.426 574 P HA 0.129 nan 4.420 nan 0.000 0.267 574 P C 0.398 177.702 177.300 0.006 0.000 1.201 574 P CA 0.270 63.372 63.100 0.003 0.000 0.775 574 P CB 0.565 32.267 31.700 0.002 0.000 0.854 575 D N 2.107 122.511 120.400 0.007 0.000 2.157 575 D HA -0.229 4.412 4.640 0.001 0.000 0.197 575 D C 2.122 178.432 176.300 0.016 0.000 0.995 575 D CA 2.219 56.226 54.000 0.011 0.000 0.860 575 D CB -0.687 40.119 40.800 0.010 0.000 1.016 575 D HN 0.491 nan 8.370 nan 0.000 0.452 576 E N 1.392 121.601 120.200 0.015 0.000 2.242 576 E HA -0.286 4.064 4.350 0.001 0.000 0.247 576 E C 1.576 178.190 176.600 0.022 0.000 1.056 576 E CA 2.131 58.542 56.400 0.018 0.000 0.999 576 E CB -0.948 28.760 29.700 0.014 0.000 0.891 576 E HN 0.381 nan 8.360 nan 0.000 0.512 577 R N 0.070 120.579 120.500 0.014 0.000 2.643 577 R HA 0.341 4.681 4.340 0.001 0.000 0.270 577 R C -0.262 176.041 176.300 0.006 0.000 1.061 577 R CA 0.607 56.713 56.100 0.010 0.000 1.107 577 R CB 0.774 31.073 30.300 -0.002 0.000 0.999 577 R HN 0.436 nan 8.270 nan 0.000 0.460 578 T N 5.338 119.895 114.554 0.005 0.000 2.799 578 T HA 0.312 4.663 4.350 0.001 0.000 0.286 578 T C -2.070 172.581 174.700 -0.082 0.000 0.973 578 T CA -1.395 60.690 62.100 -0.025 0.000 1.035 578 T CB 1.395 70.282 68.868 0.032 0.000 0.932 578 T HN 0.427 nan 8.240 nan 0.000 0.469 579 P HA 0.336 nan 4.420 nan 0.000 0.271 579 P C -0.626 176.559 177.300 -0.192 0.000 1.244 579 P CA -0.301 62.709 63.100 -0.150 0.000 0.793 579 P CB 0.447 32.047 31.700 -0.167 0.000 0.984 580 D N 0.097 120.393 120.400 -0.174 0.000 2.621 580 D HA 0.240 4.881 4.640 0.001 0.000 0.274 580 D C -0.432 175.745 176.300 -0.204 0.000 1.215 580 D CA -0.304 53.584 54.000 -0.188 0.000 0.810 580 D CB -0.532 40.200 40.800 -0.114 0.000 1.248 580 D HN 0.152 nan 8.370 nan 0.000 0.517 581 I N 1.272 121.672 120.570 -0.283 0.000 2.775 581 I HA -0.063 4.108 4.170 0.001 0.000 0.290 581 I C 1.784 177.723 176.117 -0.297 0.000 1.203 581 I CA 0.320 61.422 61.300 -0.330 0.000 1.433 581 I CB 1.159 38.864 38.000 -0.491 0.000 1.354 581 I HN 0.265 nan 8.210 nan 0.000 0.579 582 S N 5.861 121.410 115.700 -0.252 0.000 2.421 582 S HA 0.009 4.480 4.470 0.001 0.000 0.224 582 S C 0.300 174.883 174.600 -0.028 0.000 1.035 582 S CA 0.526 58.668 58.200 -0.098 0.000 0.953 582 S CB 0.063 63.300 63.200 0.062 0.000 0.810 582 S HN 0.830 nan 8.310 nan 0.000 0.497 583 H N -2.383 116.553 119.070 -0.224 0.000 2.935 583 H HA 0.333 4.890 4.556 0.001 0.000 0.297 583 H C -1.834 173.351 175.328 -0.239 0.000 1.423 583 H CA -1.004 54.922 56.048 -0.203 0.000 1.161 583 H CB -0.337 29.437 29.762 0.020 0.000 1.841 583 H HN 0.202 nan 8.280 nan 0.000 0.506 584 F N 1.330 121.354 119.950 0.123 0.000 2.399 584 F HA 0.362 4.890 4.527 0.001 0.000 0.334 584 F C -0.078 175.900 175.800 0.296 0.000 1.097 584 F CA -0.981 57.023 58.000 0.007 0.000 1.076 584 F CB 1.206 40.205 39.000 -0.001 0.000 1.162 584 F HN 0.438 nan 8.300 nan 0.000 0.495 585 Y N 0.190 120.729 120.300 0.398 0.000 2.360 585 Y HA 0.779 5.329 4.550 0.000 0.000 0.337 585 Y C -1.307 174.690 175.900 0.162 0.000 1.039 585 Y CA -1.626 56.662 58.100 0.312 0.000 1.109 585 Y CB 0.729 39.373 38.460 0.306 0.000 1.201 585 Y HN 0.265 nan 8.280 nan 0.000 0.458 586 V N 3.211 123.241 119.914 0.193 0.000 2.487 586 V HA 0.628 4.748 4.120 0.001 0.000 0.298 586 V C 0.658 176.659 176.094 -0.155 0.000 1.028 586 V CA -0.588 61.751 62.300 0.065 0.000 0.860 586 V CB 1.067 32.971 31.823 0.134 0.000 0.991 586 V HN 1.279 nan 8.190 nan 0.000 0.427 587 G N 3.161 111.876 108.800 -0.141 0.000 2.323 587 G HA2 0.240 4.201 3.960 0.001 0.000 0.292 587 G HA3 0.240 4.201 3.960 0.001 0.000 0.292 587 G C 0.644 175.279 174.900 -0.441 0.000 1.040 587 G CA 0.525 45.427 45.100 -0.331 0.000 0.942 587 G HN 2.221 nan 8.290 nan 0.000 0.506 588 G N -2.352 106.308 108.800 -0.234 0.000 2.353 588 G HA2 0.265 4.226 3.960 0.001 0.000 0.424 588 G HA3 0.265 4.226 3.960 0.001 0.000 0.424 588 G C 0.004 174.774 174.900 -0.215 0.000 1.320 588 G CA 0.058 45.004 45.100 -0.256 0.000 0.995 588 G HN 0.551 nan 8.290 nan 0.000 0.580 589 Y N 0.356 120.617 120.300 -0.065 0.000 2.500 589 Y HA 0.322 4.873 4.550 0.001 0.000 0.270 589 Y C 1.955 177.851 175.900 -0.006 0.000 1.134 589 Y CA 0.639 58.693 58.100 -0.078 0.000 1.293 589 Y CB 0.424 38.803 38.460 -0.135 0.000 1.063 589 Y HN 0.605 nan 8.280 nan 0.000 0.534 590 K N 1.373 121.842 120.400 0.116 0.000 3.096 590 K HA -0.204 4.117 4.320 0.001 0.000 0.266 590 K C -1.340 175.301 176.600 0.068 0.000 1.043 590 K CA 0.276 56.611 56.287 0.079 0.000 0.758 590 K CB -0.594 31.949 32.500 0.071 0.000 1.260 590 K HN 0.153 nan 8.250 nan 0.000 0.481 591 R N 0.123 120.677 120.500 0.089 0.000 2.502 591 R HA 0.098 4.439 4.340 0.001 0.000 0.298 591 R C 1.092 177.413 176.300 0.034 0.000 1.018 591 R CA 0.252 56.375 56.100 0.038 0.000 0.899 591 R CB 1.615 31.915 30.300 0.000 0.000 1.181 591 R HN 0.266 nan 8.270 nan 0.000 0.444 592 S N 1.081 116.792 115.700 0.019 0.000 2.419 592 S HA -0.097 4.374 4.470 0.001 0.000 0.233 592 S C 1.557 176.160 174.600 0.004 0.000 1.016 592 S CA 1.348 59.558 58.200 0.018 0.000 0.974 592 S CB 0.021 63.228 63.200 0.013 0.000 0.786 592 S HN 0.740 nan 8.310 nan 0.000 0.492 593 G N 0.883 109.674 108.800 -0.014 0.000 2.848 593 G HA2 0.240 4.201 3.960 0.001 0.000 0.208 593 G HA3 0.240 4.201 3.960 0.001 0.000 0.208 593 G C 0.320 175.191 174.900 -0.048 0.000 1.152 593 G CA -0.046 45.035 45.100 -0.031 0.000 0.789 593 G HN 0.391 nan 8.290 nan 0.000 0.531 594 M N 0.435 120.013 119.600 -0.037 0.000 2.227 594 M HA 0.309 4.789 4.480 0.001 0.000 0.335 594 M C -2.086 174.234 176.300 0.033 0.000 1.053 594 M CA -3.015 52.256 55.300 -0.048 0.000 0.973 594 M CB 1.871 34.393 32.600 -0.129 0.000 1.623 594 M HN -0.184 nan 8.290 nan 0.000 0.434 595 P HA 0.021 nan 4.420 nan 0.000 0.245 595 P C 0.294 177.622 177.300 0.046 0.000 1.212 595 P CA 0.507 63.625 63.100 0.029 0.000 0.774 595 P CB -0.221 31.485 31.700 0.010 0.000 0.999 596 T N -2.802 111.803 114.554 0.085 0.000 2.847 596 T HA 0.384 4.735 4.350 0.001 0.000 0.279 596 T C -0.385 174.336 174.700 0.035 0.000 0.984 596 T CA -0.596 61.533 62.100 0.048 0.000 0.988 596 T CB 1.084 69.976 68.868 0.040 0.000 1.040 596 T HN -0.189 nan 8.240 nan 0.000 0.528 597 D N 0.424 120.830 120.400 0.010 0.000 2.358 597 D HA 0.277 4.917 4.640 0.001 0.000 0.253 597 D C -1.043 175.289 176.300 0.053 0.000 1.288 597 D CA -0.462 53.560 54.000 0.036 0.000 0.950 597 D CB 1.136 41.963 40.800 0.045 0.000 1.197 597 D HN 0.465 nan 8.370 nan 0.000 0.550 598 S N 3.783 119.522 115.700 0.065 0.000 2.404 598 S HA 0.356 4.826 4.470 0.001 0.000 0.309 598 S C 0.275 174.980 174.600 0.174 0.000 1.076 598 S CA -0.717 57.571 58.200 0.147 0.000 1.095 598 S CB 0.806 64.062 63.200 0.093 0.000 0.972 598 S HN 0.214 nan 8.310 nan 0.000 0.484 599 R N 3.085 123.705 120.500 0.200 0.000 2.391 599 R HA 0.383 4.723 4.340 0.001 0.000 0.310 599 R C -0.318 176.101 176.300 0.200 0.000 1.174 599 R CA -0.203 56.025 56.100 0.213 0.000 1.118 599 R CB 0.159 30.583 30.300 0.206 0.000 1.134 599 R HN 0.519 nan 8.270 nan 0.000 0.524 600 V N -1.464 118.594 119.914 0.240 0.000 3.147 600 V HA 0.600 4.721 4.120 0.001 0.000 0.306 600 V C -0.406 175.847 176.094 0.265 0.000 1.209 600 V CA -0.783 61.575 62.300 0.097 0.000 1.023 600 V CB 2.531 34.350 31.823 -0.005 0.000 1.059 600 V HN 0.361 nan 8.190 nan 0.000 0.435 601 T N 2.297 116.939 114.554 0.147 0.000 2.792 601 T HA 0.702 5.053 4.350 0.001 0.000 0.280 601 T C -0.608 174.199 174.700 0.178 0.000 0.990 601 T CA -0.319 61.904 62.100 0.205 0.000 0.960 601 T CB 1.379 70.416 68.868 0.283 0.000 0.939 601 T HN 0.793 nan 8.240 nan 0.000 0.439 602 V N 5.499 125.560 119.914 0.246 0.000 2.459 602 V HA 0.530 4.651 4.120 0.001 0.000 0.295 602 V C -0.166 176.113 176.094 0.307 0.000 1.029 602 V CA -0.987 61.503 62.300 0.315 0.000 0.874 602 V CB 1.676 33.809 31.823 0.516 0.000 0.985 602 V HN 0.804 nan 8.190 nan 0.000 0.438 603 N N 2.975 121.839 118.700 0.274 0.000 2.328 603 N HA 0.378 5.118 4.740 0.001 0.000 0.299 603 N C -0.448 175.239 175.510 0.294 0.000 1.179 603 N CA -0.790 52.427 53.050 0.279 0.000 0.793 603 N CB 1.619 40.223 38.487 0.194 0.000 1.366 603 N HN 0.777 nan 8.380 nan 0.000 0.493 604 N N -0.543 118.347 118.700 0.317 0.000 2.650 604 N HA -0.171 4.570 4.740 0.001 0.000 0.272 604 N C -0.887 174.783 175.510 0.265 0.000 1.058 604 N CA -0.049 53.219 53.050 0.363 0.000 0.765 604 N CB -0.714 38.012 38.487 0.398 0.000 0.902 604 N HN 0.216 nan 8.380 nan 0.000 0.551 605 V N 1.949 121.926 119.914 0.105 0.000 2.508 605 V HA 0.242 4.363 4.120 0.001 0.000 0.281 605 V C 0.769 176.905 176.094 0.069 0.000 1.041 605 V CA -0.016 62.261 62.300 -0.039 0.000 1.016 605 V CB 0.995 32.592 31.823 -0.377 0.000 0.984 605 V HN 0.270 nan 8.190 nan 0.000 0.478 606 L N 5.498 126.753 121.223 0.053 0.000 2.334 606 L HA 0.654 4.995 4.340 0.001 0.000 0.273 606 L C -0.729 176.154 176.870 0.020 0.000 1.013 606 L CA -0.754 54.090 54.840 0.008 0.000 0.816 606 L CB 1.937 43.998 42.059 0.004 0.000 1.278 606 L HN 0.475 nan 8.230 nan 0.000 0.431 607 L N 2.766 123.923 121.223 -0.109 0.000 2.372 607 L HA 0.521 4.861 4.340 0.001 0.000 0.274 607 L C -1.428 175.248 176.870 -0.324 0.000 0.988 607 L CA 0.021 54.720 54.840 -0.235 0.000 0.833 607 L CB 1.125 42.854 42.059 -0.551 0.000 1.236 607 L HN 0.259 nan 8.230 nan 0.000 0.410 608 Y N 2.583 122.789 120.300 -0.157 0.000 2.487 608 Y HA 0.392 4.942 4.550 0.001 0.000 0.337 608 Y C 0.889 176.666 175.900 -0.204 0.000 1.076 608 Y CA -0.706 57.274 58.100 -0.201 0.000 1.115 608 Y CB 1.336 39.704 38.460 -0.154 0.000 1.235 608 Y HN 0.700 nan 8.280 nan 0.000 0.468 609 N N 2.061 120.562 118.700 -0.330 0.000 2.378 609 N HA 0.119 4.860 4.740 0.001 0.000 0.243 609 N C -0.634 174.777 175.510 -0.166 0.000 1.137 609 N CA -0.357 52.342 53.050 -0.585 0.000 0.862 609 N CB -0.056 37.713 38.487 -1.196 0.000 1.116 609 N HN 0.814 nan 8.380 nan 0.000 0.499 610 R N -2.282 118.204 120.500 -0.023 0.000 2.728 610 R HA 0.244 4.585 4.340 0.001 0.000 0.274 610 R C -1.549 174.727 176.300 -0.040 0.000 1.030 610 R CA -0.945 55.144 56.100 -0.019 0.000 0.876 610 R CB 0.606 30.878 30.300 -0.048 0.000 1.259 610 R HN 0.080 nan 8.270 nan 0.000 0.468 611 Q N 2.315 122.073 119.800 -0.069 0.000 2.314 611 Q HA 0.299 4.639 4.340 0.001 0.000 0.257 611 Q C -0.741 175.174 176.000 -0.141 0.000 0.975 611 Q CA -0.578 55.160 55.803 -0.108 0.000 0.933 611 Q CB 0.899 29.584 28.738 -0.089 0.000 1.195 611 Q HN 0.517 nan 8.270 nan 0.000 0.426 612 L N 3.311 124.406 121.223 -0.212 0.000 2.467 612 L HA 0.119 4.459 4.340 0.001 0.000 0.270 612 L C 0.599 177.342 176.870 -0.212 0.000 1.205 612 L CA -0.497 54.184 54.840 -0.264 0.000 0.828 612 L CB 0.027 41.850 42.059 -0.394 0.000 1.101 612 L HN 0.780 nan 8.230 nan 0.000 0.479 613 N N 0.926 119.514 118.700 -0.186 0.000 2.448 613 N HA 0.342 5.083 4.740 0.001 0.000 0.274 613 N C 0.607 176.009 175.510 -0.181 0.000 1.239 613 N CA -0.105 52.856 53.050 -0.148 0.000 0.982 613 N CB 0.582 39.006 38.487 -0.105 0.000 1.199 613 N HN 0.597 nan 8.380 nan 0.000 0.576 614 A N 0.002 122.738 122.820 -0.139 0.000 1.892 614 A HA -0.249 4.071 4.320 0.001 0.000 0.218 614 A C 1.849 179.354 177.584 -0.132 0.000 1.188 614 A CA 1.986 53.939 52.037 -0.140 0.000 0.631 614 A CB -1.137 17.820 19.000 -0.072 0.000 0.822 614 A HN 0.817 nan 8.150 nan 0.000 0.447 615 E N -0.228 119.911 120.200 -0.100 0.000 2.106 615 E HA -0.119 4.231 4.350 0.001 0.000 0.192 615 E C 1.982 178.523 176.600 -0.099 0.000 0.984 615 E CA 1.413 57.765 56.400 -0.081 0.000 0.806 615 E CB -0.212 29.450 29.700 -0.062 0.000 0.750 615 E HN 0.774 nan 8.360 nan 0.000 0.458 616 E N 0.130 120.251 120.200 -0.132 0.000 2.106 616 E HA -0.130 4.221 4.350 0.001 0.000 0.192 616 E C 2.019 178.524 176.600 -0.160 0.000 0.984 616 E CA 0.737 57.044 56.400 -0.154 0.000 0.806 616 E CB -0.073 29.501 29.700 -0.210 0.000 0.750 616 E HN 0.260 nan 8.360 nan 0.000 0.458 617 I N 0.729 121.183 120.570 -0.194 0.000 2.226 617 I HA -0.273 3.898 4.170 0.001 0.000 0.245 617 I C 2.689 178.751 176.117 -0.092 0.000 1.100 617 I CA 1.043 62.232 61.300 -0.186 0.000 1.374 617 I CB -0.158 37.625 38.000 -0.362 0.000 1.057 617 I HN 0.024 nan 8.210 nan 0.000 0.413 618 R N 0.558 121.011 120.500 -0.077 0.000 2.096 618 R HA -0.155 4.186 4.340 0.001 0.000 0.235 618 R C 2.139 178.454 176.300 0.026 0.000 1.127 618 R CA 2.013 58.124 56.100 0.018 0.000 0.968 618 R CB -0.299 30.008 30.300 0.011 0.000 0.861 618 R HN 0.226 nan 8.270 nan 0.000 0.440 619 T N 1.139 115.672 114.554 -0.036 0.000 2.737 619 T HA -0.094 4.256 4.350 0.001 0.000 0.265 619 T C 1.755 176.410 174.700 -0.074 0.000 1.038 619 T CA 1.411 63.480 62.100 -0.052 0.000 1.144 619 T CB -0.141 68.693 68.868 -0.056 0.000 0.866 619 T HN 0.143 nan 8.240 nan 0.000 0.434 620 L N 0.136 121.319 121.223 -0.067 0.000 2.017 620 L HA -0.033 4.307 4.340 0.001 0.000 0.208 620 L C 2.255 178.976 176.870 -0.249 0.000 1.073 620 L CA 1.378 56.190 54.840 -0.047 0.000 0.745 620 L CB -0.554 41.549 42.059 0.072 0.000 0.894 620 L HN 0.217 nan 8.230 nan 0.000 0.432 621 F N 0.340 119.907 119.950 -0.639 0.000 2.126 621 F HA -0.225 4.303 4.527 0.001 0.000 0.299 621 F C 2.053 177.647 175.800 -0.344 0.000 1.096 621 F CA 1.538 59.007 58.000 -0.886 0.000 1.255 621 F CB -0.320 38.339 39.000 -0.569 0.000 0.997 621 F HN -0.101 nan 8.300 nan 0.000 0.479 622 L N 0.087 121.005 121.223 -0.509 0.000 2.275 622 L HA -0.122 4.219 4.340 0.001 0.000 0.215 622 L C 1.925 178.611 176.870 -0.307 0.000 1.119 622 L CA 1.301 55.852 54.840 -0.481 0.000 0.790 622 L CB -0.656 41.271 42.059 -0.220 0.000 0.919 622 L HN 0.343 nan 8.230 nan 0.000 0.443 623 S N -2.673 112.901 115.700 -0.211 0.000 2.568 623 S HA 0.068 4.538 4.470 0.001 0.000 0.232 623 S C 1.368 175.937 174.600 -0.052 0.000 0.975 623 S CA -0.502 57.633 58.200 -0.107 0.000 0.949 623 S CB 0.441 63.602 63.200 -0.065 0.000 0.829 623 S HN 0.311 nan 8.310 nan 0.000 0.479 624 Q N 1.689 121.444 119.800 -0.075 0.000 2.217 624 Q HA -0.183 4.158 4.340 0.001 0.000 0.209 624 Q C 0.837 176.878 176.000 0.069 0.000 0.988 624 Q CA 1.817 57.648 55.803 0.046 0.000 0.878 624 Q CB -0.210 28.567 28.738 0.066 0.000 0.909 624 Q HN 0.670 nan 8.270 nan 0.000 0.424 625 D N -0.503 119.910 120.400 0.022 0.000 2.355 625 D HA -0.024 4.617 4.640 0.001 0.000 0.218 625 D C 1.396 177.740 176.300 0.073 0.000 1.004 625 D CA 0.677 54.703 54.000 0.043 0.000 0.880 625 D CB 0.374 41.179 40.800 0.008 0.000 0.911 625 D HN 0.325 nan 8.370 nan 0.000 0.528 626 L N 0.253 121.520 121.223 0.074 0.000 2.575 626 L HA 0.186 4.527 4.340 0.001 0.000 0.228 626 L C 2.456 179.418 176.870 0.154 0.000 1.075 626 L CA 0.121 55.017 54.840 0.095 0.000 0.867 626 L CB -0.096 41.981 42.059 0.030 0.000 1.097 626 L HN -0.058 nan 8.230 nan 0.000 0.485 627 I N -0.988 119.694 120.570 0.187 0.000 2.500 627 I HA 0.148 4.318 4.170 0.001 0.000 0.252 627 I C 1.453 177.922 176.117 0.587 0.000 1.142 627 I CA 0.206 61.698 61.300 0.319 0.000 1.451 627 I CB -1.089 37.073 38.000 0.270 0.000 1.093 627 I HN 0.064 nan 8.210 nan 0.000 0.430 628 G N 2.195 111.234 108.800 0.398 0.000 2.163 628 G HA2 0.003 3.964 3.960 0.001 0.000 0.239 628 G HA3 0.003 3.964 3.960 0.001 0.000 0.239 628 G C 1.013 176.047 174.900 0.224 0.000 1.148 628 G CA 0.603 45.864 45.100 0.268 0.000 0.880 628 G HN 0.570 nan 8.290 nan 0.000 0.466 629 T N -0.514 114.023 114.554 -0.028 0.000 3.215 629 T HA 0.041 4.391 4.350 0.001 0.000 0.254 629 T C 1.511 176.208 174.700 -0.004 0.000 1.149 629 T CA 0.945 62.986 62.100 -0.098 0.000 1.042 629 T CB 0.059 68.630 68.868 -0.494 0.000 0.966 629 T HN 0.686 nan 8.240 nan 0.000 0.534 630 E N 1.260 121.409 120.200 -0.085 0.000 2.086 630 E HA -0.217 4.133 4.350 0.001 0.000 0.200 630 E C 2.118 178.560 176.600 -0.264 0.000 1.012 630 E CA 1.602 57.772 56.400 -0.383 0.000 0.812 630 E CB -0.321 29.112 29.700 -0.446 0.000 0.743 630 E HN 0.739 nan 8.360 nan 0.000 0.453 631 A N -0.374 122.325 122.820 -0.203 0.000 1.993 631 A HA 0.008 4.329 4.320 0.001 0.000 0.207 631 A C 1.303 178.758 177.584 -0.216 0.000 1.224 631 A CA 0.085 51.970 52.037 -0.254 0.000 0.749 631 A CB -0.230 18.560 19.000 -0.350 0.000 0.884 631 A HN 0.281 nan 8.150 nan 0.000 0.467 632 H N -0.422 118.688 119.070 0.065 0.000 2.602 632 H HA 0.110 4.666 4.556 0.001 0.000 0.285 632 H C 0.480 175.871 175.328 0.105 0.000 1.093 632 H CA 0.411 56.508 56.048 0.082 0.000 1.201 632 H CB -0.706 29.120 29.762 0.107 0.000 1.294 632 H HN 0.403 nan 8.280 nan 0.000 0.633 633 M N 0.000 119.674 119.600 0.124 0.000 2.572 633 M HA 0.000 4.481 4.480 0.001 0.000 0.227 633 M CA 0.000 55.387 55.300 0.145 0.000 0.988 633 M CB 0.000 32.657 32.600 0.095 0.000 1.302 633 M HN 0.000 nan 8.290 nan 0.000 0.411