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 3pq5_1_D DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.564 174.600 -0.060 0.000 1.055 28 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 28 S CB 0.000 63.174 63.200 -0.043 0.000 0.593 29 L N 0.828 122.006 121.223 -0.074 0.000 2.513 29 L HA 0.375 4.729 4.340 0.025 0.000 0.222 29 L C 1.396 178.187 176.870 -0.133 0.000 1.096 29 L CA 0.200 54.992 54.840 -0.080 0.000 0.857 29 L CB -0.248 41.775 42.059 -0.061 0.000 1.026 29 L HN 0.699 nan 8.230 nan 0.000 0.469 30 A N 1.663 124.352 122.820 -0.219 0.000 2.425 30 A HA 0.353 4.688 4.320 0.025 0.000 0.242 30 A C -1.999 175.426 177.584 -0.265 0.000 1.077 30 A CA -0.862 50.916 52.037 -0.432 0.000 0.781 30 A CB -0.602 17.860 19.000 -0.897 0.000 1.020 30 A HN -0.010 nan 8.150 nan 0.000 0.494 31 P HA 0.122 nan 4.420 nan 0.000 0.268 31 P C 0.103 177.383 177.300 -0.033 0.000 1.205 31 P CA 0.033 63.096 63.100 -0.062 0.000 0.771 31 P CB 0.758 32.464 31.700 0.009 0.000 0.858 32 E N 1.157 121.348 120.200 -0.015 0.000 2.160 32 E HA -0.221 4.144 4.350 0.025 0.000 0.195 32 E C 1.185 177.804 176.600 0.031 0.000 0.991 32 E CA 1.589 57.991 56.400 0.003 0.000 0.810 32 E CB -0.128 29.571 29.700 -0.001 0.000 0.742 32 E HN 0.590 nan 8.360 nan 0.000 0.466 33 D N -1.123 119.300 120.400 0.039 0.000 2.378 33 D HA -0.029 4.626 4.640 0.025 0.000 0.227 33 D C 1.209 177.557 176.300 0.080 0.000 1.012 33 D CA 0.856 54.886 54.000 0.049 0.000 0.905 33 D CB -0.189 40.633 40.800 0.036 0.000 0.895 33 D HN 0.196 nan 8.370 nan 0.000 0.532 34 G N 0.151 109.041 108.800 0.150 0.000 2.143 34 G HA2 -0.342 3.633 3.960 0.025 0.000 0.248 34 G HA3 -0.342 3.633 3.960 0.025 0.000 0.248 34 G C 0.978 175.965 174.900 0.146 0.000 0.991 34 G CA 0.845 46.075 45.100 0.217 0.000 0.689 34 G HN 0.739 nan 8.290 nan 0.000 0.522 35 S N 0.324 116.127 115.700 0.173 0.000 2.603 35 S HA 0.011 4.496 4.470 0.025 0.000 0.220 35 S C 1.912 176.569 174.600 0.095 0.000 0.967 35 S CA 1.010 59.262 58.200 0.086 0.000 0.920 35 S CB -0.474 62.765 63.200 0.067 0.000 0.773 35 S HN 0.925 nan 8.310 nan 0.000 0.529 36 H N 1.002 120.078 119.070 0.011 0.000 2.502 36 H HA 0.249 4.819 4.556 0.024 0.000 0.283 36 H C 0.834 176.173 175.328 0.019 0.000 1.015 36 H CA 0.410 56.465 56.048 0.012 0.000 1.298 36 H CB -0.329 29.439 29.762 0.010 0.000 1.411 36 H HN 0.377 nan 8.280 nan 0.000 0.556 37 R N 2.460 122.667 120.500 -0.488 0.000 2.338 37 R HA 0.363 4.717 4.340 0.025 0.000 0.317 37 R C -2.726 173.484 176.300 -0.149 0.000 0.968 37 R CA -2.260 53.616 56.100 -0.373 0.000 0.849 37 R CB 0.834 30.796 30.300 -0.563 0.000 1.128 37 R HN 0.047 nan 8.270 nan 0.000 0.448 38 P HA 0.138 nan 4.420 nan 0.000 0.271 38 P C -0.899 176.392 177.300 -0.014 0.000 1.216 38 P CA -0.313 62.778 63.100 -0.016 0.000 0.776 38 P CB 0.950 32.665 31.700 0.025 0.000 0.881 39 A N 3.066 125.884 122.820 -0.005 0.000 2.540 39 A HA 0.325 4.660 4.320 0.025 0.000 0.239 39 A C 1.036 178.630 177.584 0.016 0.000 1.061 39 A CA 0.233 52.271 52.037 0.002 0.000 0.758 39 A CB -0.446 18.558 19.000 0.006 0.000 0.991 39 A HN 0.592 nan 8.150 nan 0.000 0.502 40 A N 3.080 125.909 122.820 0.014 0.000 3.074 40 A HA 0.469 4.804 4.320 0.025 0.000 0.251 40 A C 0.441 178.042 177.584 0.029 0.000 1.695 40 A CA 0.274 52.326 52.037 0.025 0.000 1.343 40 A CB -0.925 18.087 19.000 0.020 0.000 1.078 40 A HN 0.889 nan 8.150 nan 0.000 0.644 41 E N -0.556 119.663 120.200 0.032 0.000 2.412 41 E HA 0.554 4.919 4.350 0.025 0.000 0.279 41 E C -3.279 173.343 176.600 0.036 0.000 0.984 41 E CA -2.555 53.865 56.400 0.033 0.000 0.788 41 E CB 1.164 30.879 29.700 0.024 0.000 1.277 41 E HN 0.063 nan 8.360 nan 0.000 0.455 42 P HA 0.106 nan 4.420 nan 0.000 0.271 42 P C -0.677 176.632 177.300 0.015 0.000 1.216 42 P CA 0.103 63.217 63.100 0.024 0.000 0.771 42 P CB 0.728 32.429 31.700 0.002 0.000 0.864 43 T N 0.170 114.731 114.554 0.011 0.000 2.916 43 T HA 0.603 4.968 4.350 0.025 0.000 0.305 43 T C -3.016 171.667 174.700 -0.027 0.000 1.119 43 T CA -2.452 59.652 62.100 0.006 0.000 1.008 43 T CB 1.771 70.647 68.868 0.013 0.000 1.129 43 T HN 0.115 nan 8.240 nan 0.000 0.480 44 P HA 0.386 nan 4.420 nan 0.000 0.274 44 P C -2.777 174.404 177.300 -0.199 0.000 1.237 44 P CA -1.691 61.299 63.100 -0.183 0.000 0.793 44 P CB -0.874 30.795 31.700 -0.051 0.000 0.977 45 P HA -0.013 nan 4.420 nan 0.000 0.261 45 P C 1.149 178.403 177.300 -0.078 0.000 1.173 45 P CA 1.657 64.655 63.100 -0.170 0.000 0.760 45 P CB -0.337 31.243 31.700 -0.201 0.000 0.783 46 G N 2.859 111.643 108.800 -0.027 0.000 2.267 46 G HA2 -0.381 3.594 3.960 0.025 0.000 0.257 46 G HA3 -0.381 3.594 3.960 0.025 0.000 0.257 46 G C 1.241 176.140 174.900 -0.001 0.000 0.998 46 G CA 0.518 45.615 45.100 -0.005 0.000 0.620 46 G HN 0.687 nan 8.290 nan 0.000 0.529 47 A N -0.854 121.961 122.820 -0.007 0.000 1.972 47 A HA 0.334 4.669 4.320 0.025 0.000 0.219 47 A C 1.333 178.923 177.584 0.009 0.000 1.169 47 A CA 2.214 54.252 52.037 0.002 0.000 0.635 47 A CB -0.053 18.948 19.000 0.002 0.000 0.810 47 A HN 0.618 nan 8.150 nan 0.000 0.446 48 Q N -1.266 118.542 119.800 0.014 0.000 2.462 48 Q HA 0.422 4.777 4.340 0.025 0.000 0.285 48 Q C -3.013 173.003 176.000 0.027 0.000 1.035 48 Q CA -2.033 53.781 55.803 0.019 0.000 0.799 48 Q CB 0.906 29.658 28.738 0.024 0.000 1.452 48 Q HN 0.054 nan 8.270 nan 0.000 0.404 49 P HA 0.027 nan 4.420 nan 0.000 0.269 49 P C -0.254 177.079 177.300 0.055 0.000 1.209 49 P CA 0.074 63.190 63.100 0.027 0.000 0.776 49 P CB 0.277 31.990 31.700 0.021 0.000 0.876 50 T N -0.751 113.836 114.554 0.056 0.000 2.868 50 T HA 0.622 4.987 4.350 0.025 0.000 0.292 50 T C -0.033 174.755 174.700 0.147 0.000 1.028 50 T CA -0.545 61.638 62.100 0.138 0.000 1.059 50 T CB 0.753 69.658 68.868 0.062 0.000 0.991 50 T HN 0.543 nan 8.240 nan 0.000 0.531 51 A N 2.000 125.005 122.820 0.307 0.000 2.569 51 A HA 0.821 5.155 4.320 0.025 0.000 0.290 51 A C -2.964 174.893 177.584 0.455 0.000 1.136 51 A CA -2.173 50.025 52.037 0.268 0.000 0.710 51 A CB 0.693 19.801 19.000 0.181 0.000 1.303 51 A HN 0.673 nan 8.150 nan 0.000 0.413 52 P HA 0.124 nan 4.420 nan 0.000 0.265 52 P C 1.188 178.638 177.300 0.251 0.000 1.193 52 P CA 0.849 64.167 63.100 0.363 0.000 0.765 52 P CB 0.525 32.360 31.700 0.226 0.000 0.823 53 G N 2.561 111.468 108.800 0.178 0.000 2.469 53 G HA2 -0.310 3.665 3.960 0.025 0.000 0.220 53 G HA3 -0.310 3.665 3.960 0.025 0.000 0.220 53 G C 1.514 176.431 174.900 0.028 0.000 1.136 53 G CA 1.178 46.298 45.100 0.034 0.000 0.759 53 G HN 0.593 nan 8.290 nan 0.000 0.562 54 S N -0.045 115.676 115.700 0.036 0.000 2.481 54 S HA 0.160 4.645 4.470 0.025 0.000 0.231 54 S C 2.196 176.815 174.600 0.032 0.000 0.996 54 S CA 0.701 58.907 58.200 0.011 0.000 0.942 54 S CB -0.144 63.057 63.200 0.001 0.000 0.768 54 S HN 0.324 nan 8.310 nan 0.000 0.520 55 L N 0.043 121.302 121.223 0.060 0.000 2.249 55 L HA 0.255 4.610 4.340 0.025 0.000 0.207 55 L C 2.654 179.557 176.870 0.056 0.000 1.090 55 L CA 0.860 55.734 54.840 0.058 0.000 0.802 55 L CB -0.334 41.767 42.059 0.071 0.000 0.947 55 L HN 0.250 nan 8.230 nan 0.000 0.453 56 K N 1.413 121.858 120.400 0.075 0.000 2.103 56 K HA 0.027 4.362 4.320 0.025 0.000 0.204 56 K C 0.742 177.372 176.600 0.051 0.000 1.052 56 K CA 1.299 57.629 56.287 0.072 0.000 0.945 56 K CB 0.145 32.706 32.500 0.103 0.000 0.722 56 K HN 0.151 nan 8.250 nan 0.000 0.443 57 A N 0.577 123.419 122.820 0.037 0.000 3.410 57 A HA 0.351 4.686 4.320 0.025 0.000 0.276 57 A C -2.230 175.359 177.584 0.009 0.000 0.995 57 A CA -0.960 51.095 52.037 0.031 0.000 0.934 57 A CB 0.586 19.609 19.000 0.039 0.000 1.191 57 A HN 0.131 nan 8.150 nan 0.000 0.511 58 P HA -0.115 nan 4.420 nan 0.000 0.220 58 P C 0.181 177.473 177.300 -0.012 0.000 1.148 58 P CA 1.231 64.329 63.100 -0.002 0.000 0.803 58 P CB 0.295 31.997 31.700 0.005 0.000 0.782 59 D N -1.141 119.256 120.400 -0.005 0.000 2.340 59 D HA 0.011 4.666 4.640 0.025 0.000 0.220 59 D C 0.275 176.561 176.300 -0.022 0.000 1.039 59 D CA 0.557 54.550 54.000 -0.011 0.000 0.866 59 D CB -0.475 40.325 40.800 -0.000 0.000 0.913 59 D HN 0.108 nan 8.370 nan 0.000 0.523 60 T N 2.812 117.350 114.554 -0.026 0.000 2.737 60 T HA 0.269 4.634 4.350 0.025 0.000 0.296 60 T C 0.424 175.078 174.700 -0.078 0.000 0.922 60 T CA -0.345 61.724 62.100 -0.051 0.000 1.079 60 T CB 0.892 69.728 68.868 -0.053 0.000 0.892 60 T HN -0.161 nan 8.240 nan 0.000 0.514 61 R N 3.117 123.564 120.500 -0.089 0.000 2.807 61 R HA 0.659 5.014 4.340 0.025 0.000 0.276 61 R C -0.368 175.870 176.300 -0.104 0.000 0.979 61 R CA -1.094 54.948 56.100 -0.096 0.000 0.928 61 R CB 1.649 31.900 30.300 -0.080 0.000 1.191 61 R HN 0.825 nan 8.270 nan 0.000 0.471 62 N N -2.307 116.335 118.700 -0.096 0.000 2.934 62 N HA 0.083 4.838 4.740 0.025 0.000 0.253 62 N C 0.236 175.701 175.510 -0.074 0.000 1.466 62 N CA -0.793 52.214 53.050 -0.072 0.000 0.858 62 N CB 0.827 39.303 38.487 -0.018 0.000 1.459 62 N HN 0.537 nan 8.380 nan 0.000 0.532 63 E N -0.246 119.926 120.200 -0.048 0.000 2.118 63 E HA -0.271 4.093 4.350 0.025 0.000 0.195 63 E C 1.039 177.572 176.600 -0.113 0.000 0.992 63 E CA 1.436 57.803 56.400 -0.055 0.000 0.804 63 E CB 0.087 29.779 29.700 -0.012 0.000 0.741 63 E HN 0.505 nan 8.360 nan 0.000 0.458 64 K N 0.751 121.050 120.400 -0.169 0.000 2.025 64 K HA -0.098 4.237 4.320 0.025 0.000 0.207 64 K C 2.102 178.542 176.600 -0.267 0.000 1.049 64 K CA 1.185 57.274 56.287 -0.330 0.000 0.933 64 K CB -0.453 31.666 32.500 -0.636 0.000 0.714 64 K HN 0.168 nan 8.250 nan 0.000 0.438 65 L N 0.869 121.950 121.223 -0.237 0.000 2.046 65 L HA -0.217 4.137 4.340 0.025 0.000 0.208 65 L C 1.912 178.670 176.870 -0.188 0.000 1.077 65 L CA 1.307 55.981 54.840 -0.277 0.000 0.747 65 L CB -0.610 41.277 42.059 -0.287 0.000 0.896 65 L HN 0.271 nan 8.230 nan 0.000 0.432 66 N N -0.292 118.323 118.700 -0.142 0.000 2.149 66 N HA -0.170 4.584 4.740 0.025 0.000 0.188 66 N C 2.034 177.486 175.510 -0.096 0.000 1.019 66 N CA 1.720 54.709 53.050 -0.102 0.000 0.857 66 N CB -0.414 38.026 38.487 -0.079 0.000 0.997 66 N HN 0.379 nan 8.380 nan 0.000 0.426 67 S N 0.052 115.684 115.700 -0.114 0.000 2.515 67 S HA 0.073 4.558 4.470 0.025 0.000 0.231 67 S C 1.734 176.273 174.600 -0.103 0.000 0.987 67 S CA 0.227 58.367 58.200 -0.100 0.000 0.936 67 S CB -0.363 62.772 63.200 -0.109 0.000 0.766 67 S HN 0.235 nan 8.310 nan 0.000 0.528 68 L N 0.783 121.932 121.223 -0.125 0.000 2.599 68 L HA 0.204 4.559 4.340 0.025 0.000 0.230 68 L C 2.583 179.407 176.870 -0.077 0.000 1.141 68 L CA 0.516 55.291 54.840 -0.109 0.000 0.877 68 L CB -0.367 41.609 42.059 -0.137 0.000 1.009 68 L HN 0.283 nan 8.230 nan 0.000 0.447 69 E N 1.175 121.333 120.200 -0.069 0.000 2.160 69 E HA -0.262 4.103 4.350 0.025 0.000 0.195 69 E C 1.729 178.308 176.600 -0.034 0.000 0.991 69 E CA 1.550 57.922 56.400 -0.047 0.000 0.810 69 E CB -0.071 29.604 29.700 -0.042 0.000 0.742 69 E HN 0.560 nan 8.360 nan 0.000 0.466 70 D N -0.367 120.012 120.400 -0.036 0.000 2.265 70 D HA -0.154 4.501 4.640 0.025 0.000 0.208 70 D C 1.574 177.861 176.300 -0.023 0.000 0.977 70 D CA 1.670 55.654 54.000 -0.027 0.000 0.871 70 D CB -0.236 40.547 40.800 -0.028 0.000 0.925 70 D HN 0.322 nan 8.370 nan 0.000 0.485 71 V N -3.777 116.121 119.914 -0.026 0.000 3.556 71 V HA 0.323 4.457 4.120 0.025 0.000 0.287 71 V C 0.934 177.022 176.094 -0.010 0.000 1.422 71 V CA -0.694 61.596 62.300 -0.016 0.000 1.038 71 V CB -0.422 31.391 31.823 -0.016 0.000 0.850 71 V HN -0.164 nan 8.190 nan 0.000 0.437 72 R N 2.050 122.542 120.500 -0.013 0.000 2.570 72 R HA 0.371 4.726 4.340 0.025 0.000 0.277 72 R C -0.183 176.120 176.300 0.004 0.000 1.039 72 R CA 0.289 56.389 56.100 0.000 0.000 1.065 72 R CB 0.540 30.840 30.300 -0.002 0.000 0.964 72 R HN 0.384 nan 8.270 nan 0.000 0.428 73 K N 1.142 121.550 120.400 0.013 0.000 2.426 73 K HA 0.332 4.667 4.320 0.025 0.000 0.254 73 K C -0.129 176.490 176.600 0.032 0.000 0.936 73 K CA -0.439 55.846 56.287 -0.004 0.000 0.801 73 K CB 1.858 34.344 32.500 -0.023 0.000 1.139 73 K HN 0.725 nan 8.250 nan 0.000 0.424 74 G N 0.447 109.285 108.800 0.064 0.000 2.630 74 G HA2 0.290 4.265 3.960 0.025 0.000 0.223 74 G HA3 0.290 4.265 3.960 0.025 0.000 0.223 74 G C 0.294 175.311 174.900 0.196 0.000 1.434 74 G CA 0.298 45.489 45.100 0.152 0.000 1.057 74 G HN 0.707 nan 8.290 nan 0.000 0.570 75 S N -2.554 113.339 115.700 0.321 0.000 2.707 75 S HA 0.103 4.588 4.470 0.025 0.000 0.224 75 S C 0.195 174.945 174.600 0.250 0.000 0.931 75 S CA -0.161 58.219 58.200 0.301 0.000 1.243 75 S CB 0.036 63.324 63.200 0.147 0.000 0.949 75 S HN 0.499 nan 8.310 nan 0.000 0.384 76 E N 3.082 123.347 120.200 0.109 0.000 2.414 76 E HA 0.303 4.668 4.350 0.025 0.000 0.263 76 E C -0.181 176.315 176.600 -0.173 0.000 1.000 76 E CA 0.263 56.661 56.400 -0.003 0.000 0.914 76 E CB 0.061 29.755 29.700 -0.010 0.000 0.948 76 E HN 0.394 nan 8.360 nan 0.000 0.444 77 N N 0.279 118.897 118.700 -0.136 0.000 2.936 77 N HA -0.210 4.545 4.740 0.025 0.000 0.236 77 N C -1.056 174.313 175.510 -0.235 0.000 0.930 77 N CA 1.193 54.119 53.050 -0.207 0.000 0.966 77 N CB -1.298 37.026 38.487 -0.272 0.000 1.090 77 N HN 0.386 nan 8.380 nan 0.000 0.592 78 Y N 0.771 121.077 120.300 0.011 0.000 2.387 78 Y HA 0.639 5.205 4.550 0.026 0.000 0.330 78 Y C 0.934 176.838 175.900 0.007 0.000 1.133 78 Y CA -0.729 57.376 58.100 0.009 0.000 1.152 78 Y CB 1.048 39.514 38.460 0.010 0.000 1.215 78 Y HN 0.131 nan 8.280 nan 0.000 0.466 79 A N 2.915 125.852 122.820 0.196 0.000 2.425 79 A HA 0.374 4.709 4.320 0.025 0.000 0.249 79 A C -0.627 177.006 177.584 0.082 0.000 1.084 79 A CA -0.500 51.599 52.037 0.103 0.000 0.781 79 A CB -0.022 19.025 19.000 0.078 0.000 1.019 79 A HN 0.717 nan 8.150 nan 0.000 0.490 80 L N 3.176 124.429 121.223 0.050 0.000 2.410 80 L HA 0.508 4.863 4.340 0.025 0.000 0.273 80 L C 0.648 177.527 176.870 0.016 0.000 1.152 80 L CA 1.200 56.056 54.840 0.026 0.000 0.855 80 L CB 0.414 42.480 42.059 0.011 0.000 1.129 80 L HN 0.907 nan 8.230 nan 0.000 0.463 81 T N 0.395 114.952 114.554 0.006 0.000 2.865 81 T HA 0.630 4.995 4.350 0.025 0.000 0.294 81 T C 0.178 174.880 174.700 0.003 0.000 1.119 81 T CA -0.194 61.911 62.100 0.009 0.000 1.007 81 T CB 1.008 69.883 68.868 0.012 0.000 1.225 81 T HN 0.836 nan 8.240 nan 0.000 0.515 82 T N 0.458 115.027 114.554 0.024 0.000 2.701 82 T HA 0.170 4.535 4.350 0.025 0.000 0.303 82 T C 1.103 175.821 174.700 0.030 0.000 1.030 82 T CA -0.371 61.752 62.100 0.038 0.000 1.010 82 T CB -0.093 68.838 68.868 0.104 0.000 1.007 82 T HN 0.577 nan 8.240 nan 0.000 0.532 83 N N 0.585 119.307 118.700 0.036 0.000 2.453 83 N HA -0.073 4.681 4.740 0.025 0.000 0.183 83 N C 1.529 177.060 175.510 0.036 0.000 1.041 83 N CA 0.632 53.697 53.050 0.025 0.000 0.900 83 N CB -0.165 38.347 38.487 0.042 0.000 0.961 83 N HN 0.572 nan 8.380 nan 0.000 0.443 84 Q N -0.408 119.426 119.800 0.057 0.000 2.320 84 Q HA 0.184 4.539 4.340 0.025 0.000 0.201 84 Q C 0.799 176.823 176.000 0.041 0.000 0.910 84 Q CA 0.111 55.944 55.803 0.050 0.000 0.946 84 Q CB 0.270 29.047 28.738 0.064 0.000 1.062 84 Q HN 0.393 nan 8.270 nan 0.000 0.503 85 G N 0.472 109.292 108.800 0.034 0.000 2.143 85 G HA2 -0.248 3.727 3.960 0.025 0.000 0.249 85 G HA3 -0.248 3.727 3.960 0.025 0.000 0.249 85 G C 0.120 175.045 174.900 0.042 0.000 0.981 85 G CA 0.197 45.312 45.100 0.024 0.000 0.665 85 G HN 0.245 nan 8.290 nan 0.000 0.528 86 V N 1.758 121.714 119.914 0.070 0.000 2.432 86 V HA 0.320 4.455 4.120 0.025 0.000 0.271 86 V C 1.347 177.481 176.094 0.067 0.000 1.046 86 V CA -0.612 61.743 62.300 0.091 0.000 0.945 86 V CB 1.002 32.930 31.823 0.174 0.000 0.992 86 V HN 0.413 nan 8.190 nan 0.000 0.471 87 R N 4.615 125.147 120.500 0.053 0.000 2.538 87 R HA 0.210 4.565 4.340 0.025 0.000 0.282 87 R C -0.445 175.871 176.300 0.026 0.000 1.009 87 R CA 0.155 56.278 56.100 0.037 0.000 1.063 87 R CB 0.279 30.600 30.300 0.036 0.000 0.945 87 R HN 0.576 nan 8.270 nan 0.000 0.414 88 I N 2.367 122.940 120.570 0.004 0.000 2.342 88 I HA 0.093 4.278 4.170 0.025 0.000 0.291 88 I C 1.049 177.156 176.117 -0.017 0.000 1.010 88 I CA 0.085 61.371 61.300 -0.023 0.000 1.308 88 I CB 1.817 39.792 38.000 -0.042 0.000 1.400 88 I HN 0.764 nan 8.210 nan 0.000 0.488 89 A N 4.177 126.984 122.820 -0.022 0.000 1.911 89 A HA 0.009 4.344 4.320 0.025 0.000 0.212 89 A C 0.711 178.280 177.584 -0.024 0.000 1.189 89 A CA 0.880 52.908 52.037 -0.015 0.000 0.639 89 A CB 0.061 19.055 19.000 -0.010 0.000 0.839 89 A HN 0.678 nan 8.150 nan 0.000 0.449 90 D N -0.417 119.960 120.400 -0.037 0.000 2.440 90 D HA 0.318 4.973 4.640 0.025 0.000 0.252 90 D C -1.320 174.949 176.300 -0.053 0.000 1.180 90 D CA -0.379 53.597 54.000 -0.040 0.000 0.894 90 D CB 1.076 41.853 40.800 -0.038 0.000 1.111 90 D HN 0.058 nan 8.370 nan 0.000 0.544 91 D N 2.074 122.446 120.400 -0.047 0.000 2.434 91 D HA 0.053 4.708 4.640 0.025 0.000 0.232 91 D C 0.549 176.818 176.300 -0.053 0.000 1.166 91 D CA 0.272 54.240 54.000 -0.054 0.000 0.830 91 D CB 0.466 41.239 40.800 -0.045 0.000 0.960 91 D HN 0.250 nan 8.370 nan 0.000 0.497 92 Q N -0.657 119.114 119.800 -0.049 0.000 2.214 92 Q HA 0.265 4.620 4.340 0.025 0.000 0.229 92 Q C -0.212 175.759 176.000 -0.049 0.000 0.835 92 Q CA 0.087 55.861 55.803 -0.047 0.000 0.953 92 Q CB 0.856 29.571 28.738 -0.038 0.000 1.131 92 Q HN 0.173 nan 8.270 nan 0.000 0.501 93 N N 0.148 118.816 118.700 -0.053 0.000 2.277 93 N HA 0.295 5.050 4.740 0.025 0.000 0.286 93 N C -1.006 174.470 175.510 -0.058 0.000 1.140 93 N CA -0.222 52.799 53.050 -0.050 0.000 0.799 93 N CB 2.150 40.613 38.487 -0.040 0.000 1.596 93 N HN -0.172 nan 8.380 nan 0.000 0.473 94 S N 0.749 116.417 115.700 -0.053 0.000 2.603 94 S HA 0.288 4.772 4.470 0.025 0.000 0.268 94 S C 0.174 174.748 174.600 -0.044 0.000 1.317 94 S CA -0.548 57.620 58.200 -0.053 0.000 1.012 94 S CB 0.734 63.909 63.200 -0.042 0.000 0.926 94 S HN 0.401 nan 8.310 nan 0.000 0.539 95 L N 3.190 124.387 121.223 -0.043 0.000 2.319 95 L HA 0.438 4.792 4.340 0.025 0.000 0.280 95 L C 0.042 176.904 176.870 -0.013 0.000 1.099 95 L CA 0.310 55.135 54.840 -0.026 0.000 0.828 95 L CB -0.010 42.036 42.059 -0.021 0.000 1.150 95 L HN 0.723 nan 8.230 nan 0.000 0.442 96 R N 4.196 124.690 120.500 -0.009 0.000 2.808 96 R HA 0.846 5.201 4.340 0.025 0.000 0.272 96 R C -1.114 175.186 176.300 -0.001 0.000 0.995 96 R CA -0.860 55.237 56.100 -0.005 0.000 0.917 96 R CB 1.150 31.445 30.300 -0.009 0.000 1.217 96 R HN 0.595 nan 8.270 nan 0.000 0.471 97 A N 1.399 124.220 122.820 0.001 0.000 2.671 97 A HA 0.560 4.894 4.320 0.025 0.000 0.306 97 A C 0.664 178.248 177.584 0.000 0.000 1.473 97 A CA 0.419 52.458 52.037 0.003 0.000 1.155 97 A CB -1.003 18.000 19.000 0.005 0.000 1.123 97 A HN 1.229 nan 8.150 nan 0.000 0.545 98 G N 1.324 110.124 108.800 -0.001 0.000 2.705 98 G HA2 0.031 4.006 3.960 0.025 0.000 0.686 98 G HA3 0.031 4.006 3.960 0.025 0.000 0.686 98 G C 0.669 175.566 174.900 -0.005 0.000 1.285 98 G CA 0.128 45.227 45.100 -0.002 0.000 0.800 98 G HN 1.858 nan 8.290 nan 0.000 0.611 99 S N -0.099 115.597 115.700 -0.006 0.000 2.515 99 S HA 0.000 4.485 4.470 0.025 0.000 0.231 99 S C 1.531 176.125 174.600 -0.010 0.000 0.987 99 S CA 1.335 59.529 58.200 -0.009 0.000 0.936 99 S CB 0.051 63.245 63.200 -0.009 0.000 0.766 99 S HN 0.771 nan 8.310 nan 0.000 0.528 100 R N 0.963 121.459 120.500 -0.008 0.000 2.586 100 R HA 0.352 4.707 4.340 0.025 0.000 0.336 100 R C 0.903 177.199 176.300 -0.006 0.000 1.060 100 R CA 0.071 56.166 56.100 -0.008 0.000 1.079 100 R CB 0.705 31.001 30.300 -0.007 0.000 1.317 100 R HN 0.433 nan 8.270 nan 0.000 0.568 101 G N 1.777 110.573 108.800 -0.006 0.000 2.671 101 G HA2 0.408 4.383 3.960 0.025 0.000 0.275 101 G HA3 0.408 4.383 3.960 0.025 0.000 0.275 101 G C -2.451 172.447 174.900 -0.004 0.000 1.368 101 G CA -1.121 43.977 45.100 -0.004 0.000 1.044 101 G HN -0.107 nan 8.290 nan 0.000 0.543 102 P HA 0.253 nan 4.420 nan 0.000 0.277 102 P C -0.211 177.089 177.300 -0.001 0.000 1.240 102 P CA -0.126 62.973 63.100 -0.001 0.000 0.798 102 P CB 0.891 32.593 31.700 0.002 0.000 0.979 103 T N 2.369 116.921 114.554 -0.002 0.000 2.930 103 T HA 0.239 4.604 4.350 0.025 0.000 0.306 103 T C 0.468 175.172 174.700 0.005 0.000 1.045 103 T CA -0.001 62.097 62.100 -0.003 0.000 1.134 103 T CB -0.044 68.820 68.868 -0.007 0.000 0.961 103 T HN 0.182 nan 8.240 nan 0.000 0.545 104 L N 3.382 124.610 121.223 0.009 0.000 2.322 104 L HA 0.348 4.703 4.340 0.025 0.000 0.279 104 L C 1.308 178.196 176.870 0.029 0.000 1.036 104 L CA -0.821 54.031 54.840 0.019 0.000 0.807 104 L CB 1.177 43.250 42.059 0.023 0.000 1.226 104 L HN 0.506 nan 8.230 nan 0.000 0.433 105 L N 2.200 123.444 121.223 0.035 0.000 2.191 105 L HA -0.175 4.179 4.340 0.025 0.000 0.212 105 L C 2.283 179.195 176.870 0.070 0.000 1.103 105 L CA 1.645 56.512 54.840 0.045 0.000 0.769 105 L CB -0.546 41.537 42.059 0.040 0.000 0.908 105 L HN 0.797 nan 8.230 nan 0.000 0.438 106 E N -1.446 118.800 120.200 0.076 0.000 2.516 106 E HA -0.189 4.176 4.350 0.025 0.000 0.199 106 E C 0.229 176.936 176.600 0.177 0.000 1.069 106 E CA 0.251 56.724 56.400 0.122 0.000 0.876 106 E CB -0.545 29.217 29.700 0.103 0.000 0.843 106 E HN 0.372 nan 8.360 nan 0.000 0.530 107 D N 1.230 121.686 120.400 0.092 0.000 2.489 107 D HA -0.063 4.591 4.640 0.025 0.000 0.237 107 D C 0.400 176.711 176.300 0.019 0.000 1.212 107 D CA -0.353 53.656 54.000 0.013 0.000 1.058 107 D CB -0.221 40.556 40.800 -0.038 0.000 1.098 107 D HN 0.330 nan 8.370 nan 0.000 0.509 108 F N 1.656 121.614 119.950 0.014 0.000 2.456 108 F HA 0.110 4.647 4.527 0.018 0.000 0.298 108 F C 1.613 177.425 175.800 0.021 0.000 1.104 108 F CA 0.043 58.054 58.000 0.019 0.000 1.435 108 F CB -0.601 38.410 39.000 0.018 0.000 1.078 108 F HN 0.167 nan 8.300 nan 0.000 0.546 109 I N 0.335 120.471 120.570 -0.723 0.000 2.233 109 I HA -0.182 4.003 4.170 0.025 0.000 0.243 109 I C 2.465 178.468 176.117 -0.191 0.000 1.093 109 I CA 0.921 61.935 61.300 -0.477 0.000 1.380 109 I CB -0.482 37.180 38.000 -0.562 0.000 1.067 109 I HN 0.264 nan 8.210 nan 0.000 0.413 110 L N 1.111 122.235 121.223 -0.165 0.000 1.989 110 L HA -0.217 4.138 4.340 0.025 0.000 0.211 110 L C 2.642 179.497 176.870 -0.025 0.000 1.071 110 L CA 1.927 56.718 54.840 -0.082 0.000 0.749 110 L CB -0.513 41.505 42.059 -0.068 0.000 0.890 110 L HN 0.057 nan 8.230 nan 0.000 0.431 111 R N -0.705 119.799 120.500 0.006 0.000 2.092 111 R HA -0.157 4.198 4.340 0.025 0.000 0.231 111 R C 2.291 178.642 176.300 0.085 0.000 1.119 111 R CA 1.390 57.524 56.100 0.056 0.000 0.970 111 R CB -0.354 29.996 30.300 0.083 0.000 0.864 111 R HN 0.600 nan 8.270 nan 0.000 0.440 112 E N 1.363 121.616 120.200 0.088 0.000 2.051 112 E HA -0.246 4.118 4.350 0.025 0.000 0.192 112 E C 1.945 178.617 176.600 0.121 0.000 0.991 112 E CA 1.310 57.782 56.400 0.120 0.000 0.799 112 E CB 0.093 29.867 29.700 0.123 0.000 0.748 112 E HN 0.141 nan 8.360 nan 0.000 0.449 113 K N 0.291 120.732 120.400 0.067 0.000 2.026 113 K HA -0.145 4.189 4.320 0.025 0.000 0.208 113 K C 2.158 178.828 176.600 0.117 0.000 1.048 113 K CA 1.498 57.825 56.287 0.066 0.000 0.929 113 K CB -0.070 32.427 32.500 -0.005 0.000 0.713 113 K HN 0.162 nan 8.250 nan 0.000 0.439 114 I N 1.350 121.969 120.570 0.081 0.000 2.315 114 I HA -0.189 3.996 4.170 0.025 0.000 0.248 114 I C 2.160 178.378 176.117 0.169 0.000 1.117 114 I CA 1.315 62.681 61.300 0.110 0.000 1.404 114 I CB -1.485 36.543 38.000 0.047 0.000 1.071 114 I HN 0.257 nan 8.210 nan 0.000 0.419 115 T N -0.208 114.437 114.554 0.151 0.000 2.684 115 T HA -0.232 4.133 4.350 0.025 0.000 0.267 115 T C 1.972 176.789 174.700 0.195 0.000 1.036 115 T CA 1.502 63.707 62.100 0.174 0.000 1.148 115 T CB -0.445 68.540 68.868 0.195 0.000 0.863 115 T HN 0.347 nan 8.240 nan 0.000 0.436 116 H N -0.185 118.972 119.070 0.145 0.000 2.353 116 H HA -0.080 4.491 4.556 0.025 0.000 0.300 116 H C 2.212 177.590 175.328 0.085 0.000 1.090 116 H CA 1.651 57.771 56.048 0.121 0.000 1.327 116 H CB -0.439 29.378 29.762 0.091 0.000 1.383 116 H HN 0.394 nan 8.280 nan 0.000 0.508 117 F N 2.097 122.105 119.950 0.097 0.000 2.095 117 F HA -0.211 4.328 4.527 0.020 0.000 0.298 117 F C 1.962 177.703 175.800 -0.098 0.000 1.104 117 F CA 1.804 59.810 58.000 0.009 0.000 1.232 117 F CB -0.357 38.640 39.000 -0.005 0.000 0.987 117 F HN 0.057 nan 8.300 nan 0.000 0.475 118 D N -1.199 119.111 120.400 -0.150 0.000 2.309 118 D HA -0.137 4.518 4.640 0.025 0.000 0.212 118 D C 1.169 177.054 176.300 -0.692 0.000 0.968 118 D CA 1.143 54.889 54.000 -0.424 0.000 0.882 118 D CB -0.354 40.173 40.800 -0.454 0.000 0.918 118 D HN 0.497 nan 8.370 nan 0.000 0.503 119 H N -0.587 118.364 119.070 -0.199 0.000 2.567 119 H HA 0.221 4.788 4.556 0.018 0.000 0.267 119 H C 1.052 176.220 175.328 -0.267 0.000 1.148 119 H CA -0.148 55.778 56.048 -0.204 0.000 1.031 119 H CB 0.512 30.171 29.762 -0.173 0.000 1.691 119 H HN 0.256 nan 8.280 nan 0.000 0.588 120 E N 0.698 120.734 120.200 -0.273 0.000 2.153 120 E HA -0.056 4.308 4.350 0.025 0.000 0.194 120 E C 0.477 176.917 176.600 -0.266 0.000 0.988 120 E CA 0.621 56.834 56.400 -0.312 0.000 0.811 120 E CB 0.429 29.917 29.700 -0.354 0.000 0.746 120 E HN 0.142 nan 8.360 nan 0.000 0.466 121 R N 1.195 121.601 120.500 -0.156 0.000 2.410 121 R HA 0.336 4.691 4.340 0.025 0.000 0.288 121 R C 0.394 176.727 176.300 0.056 0.000 1.051 121 R CA -0.257 55.821 56.100 -0.036 0.000 1.021 121 R CB 0.658 30.929 30.300 -0.048 0.000 1.032 121 R HN 0.173 nan 8.270 nan 0.000 0.481 122 I N -0.707 119.961 120.570 0.164 0.000 2.797 122 I HA 0.577 4.762 4.170 0.025 0.000 0.307 122 I C -2.162 174.017 176.117 0.103 0.000 1.033 122 I CA -2.908 58.479 61.300 0.145 0.000 1.071 122 I CB 1.746 39.871 38.000 0.208 0.000 1.255 122 I HN 0.261 nan 8.210 nan 0.000 0.445 123 P HA 0.048 nan 4.420 nan 0.000 0.264 123 P C -0.854 176.476 177.300 0.051 0.000 1.183 123 P CA 0.014 63.141 63.100 0.045 0.000 0.763 123 P CB 0.367 32.081 31.700 0.024 0.000 0.807 124 E N 2.874 123.106 120.200 0.054 0.000 2.371 124 E HA 0.179 4.544 4.350 0.025 0.000 0.257 124 E C -0.429 176.199 176.600 0.046 0.000 1.134 124 E CA -0.853 55.584 56.400 0.063 0.000 0.919 124 E CB 0.629 30.373 29.700 0.073 0.000 1.025 124 E HN 0.265 nan 8.360 nan 0.000 0.438 125 R N 0.848 121.381 120.500 0.055 0.000 2.640 125 R HA -0.017 4.338 4.340 0.025 0.000 0.270 125 R C 1.306 177.642 176.300 0.059 0.000 1.024 125 R CA -0.428 55.702 56.100 0.050 0.000 1.085 125 R CB 0.262 30.611 30.300 0.083 0.000 0.963 125 R HN 0.576 nan 8.270 nan 0.000 0.426 126 I N 1.961 122.559 120.570 0.048 0.000 2.163 126 I HA -0.149 4.036 4.170 0.025 0.000 0.243 126 I C 1.260 177.431 176.117 0.090 0.000 1.085 126 I CA 1.571 62.909 61.300 0.062 0.000 1.347 126 I CB -1.042 36.998 38.000 0.068 0.000 1.044 126 I HN 0.400 nan 8.210 nan 0.000 0.408 127 V N -3.147 116.858 119.914 0.153 0.000 3.074 127 V HA 0.504 4.638 4.120 0.025 0.000 0.314 127 V C 0.457 176.732 176.094 0.302 0.000 1.117 127 V CA -0.843 61.576 62.300 0.199 0.000 1.014 127 V CB 1.654 33.672 31.823 0.324 0.000 1.057 127 V HN 0.465 nan 8.190 nan 0.000 0.438 128 H N 0.221 119.358 119.070 0.111 0.000 2.820 128 H HA -0.225 4.346 4.556 0.024 0.000 0.295 128 H C 1.555 176.933 175.328 0.082 0.000 1.187 128 H CA 0.724 56.829 56.048 0.096 0.000 1.144 128 H CB -1.231 28.576 29.762 0.074 0.000 1.354 128 H HN 1.138 nan 8.280 nan 0.000 0.395 129 A N 0.748 123.660 122.820 0.153 0.000 2.019 129 A HA -0.115 4.219 4.320 0.025 0.000 0.219 129 A C 1.674 179.350 177.584 0.153 0.000 1.164 129 A CA 1.394 53.509 52.037 0.131 0.000 0.644 129 A CB -0.082 18.974 19.000 0.093 0.000 0.805 129 A HN 0.298 nan 8.150 nan 0.000 0.449 130 R N -0.007 120.585 120.500 0.153 0.000 2.229 130 R HA 0.525 4.879 4.340 0.025 0.000 0.328 130 R C -0.238 176.191 176.300 0.215 0.000 1.009 130 R CA 0.675 56.884 56.100 0.181 0.000 0.864 130 R CB 0.554 30.945 30.300 0.153 0.000 1.085 130 R HN 0.309 nan 8.270 nan 0.000 0.453 131 G N 1.116 110.071 108.800 0.258 0.000 2.732 131 G HA2 0.474 4.449 3.960 0.025 0.000 0.296 131 G HA3 0.474 4.449 3.960 0.025 0.000 0.296 131 G C -1.623 173.433 174.900 0.261 0.000 1.448 131 G CA -0.595 44.618 45.100 0.189 0.000 0.911 131 G HN 0.519 nan 8.290 nan 0.000 0.528 132 S N -0.813 114.991 115.700 0.172 0.000 2.526 132 S HA 0.908 5.393 4.470 0.025 0.000 0.293 132 S C -0.046 174.559 174.600 0.009 0.000 1.092 132 S CA -0.203 58.154 58.200 0.261 0.000 0.980 132 S CB 1.811 65.285 63.200 0.456 0.000 1.048 132 S HN 1.543 nan 8.310 nan 0.000 0.483 133 A N 1.467 124.255 122.820 -0.054 0.000 2.479 133 A HA 1.027 5.361 4.320 0.025 0.000 0.296 133 A C -0.980 176.391 177.584 -0.354 0.000 1.121 133 A CA -0.768 51.014 52.037 -0.425 0.000 0.743 133 A CB 1.611 20.177 19.000 -0.722 0.000 1.323 133 A HN 1.344 nan 8.150 nan 0.000 0.415 134 A N 0.501 122.951 122.820 -0.617 0.000 2.604 134 A HA 0.696 5.031 4.320 0.025 0.000 0.295 134 A C -1.117 176.273 177.584 -0.323 0.000 1.067 134 A CA -0.645 51.201 52.037 -0.317 0.000 0.683 134 A CB 0.732 19.641 19.000 -0.151 0.000 1.281 134 A HN 0.878 nan 8.150 nan 0.000 0.407 135 H N -0.184 118.904 119.070 0.030 0.000 2.505 135 H HA 0.678 5.249 4.556 0.024 0.000 0.351 135 H C 0.675 176.002 175.328 -0.001 0.000 1.151 135 H CA 0.967 57.093 56.048 0.130 0.000 1.339 135 H CB 1.840 31.674 29.762 0.120 0.000 1.483 135 H HN 1.156 nan 8.280 nan 0.000 0.558 136 G N 0.704 109.602 108.800 0.163 0.000 2.510 136 G HA2 0.343 4.318 3.960 0.025 0.000 0.277 136 G HA3 0.343 4.318 3.960 0.025 0.000 0.277 136 G C -2.016 173.015 174.900 0.218 0.000 1.223 136 G CA -0.579 44.581 45.100 0.101 0.000 0.887 136 G HN 0.637 nan 8.290 nan 0.000 0.485 137 Y N -1.837 118.498 120.300 0.058 0.000 2.609 137 Y HA 0.831 5.396 4.550 0.024 0.000 0.336 137 Y C -1.724 174.312 175.900 0.227 0.000 1.129 137 Y CA -1.875 56.306 58.100 0.135 0.000 1.040 137 Y CB 1.827 40.339 38.460 0.087 0.000 1.310 137 Y HN 0.867 nan 8.280 nan 0.000 0.460 138 F N 2.063 122.136 119.950 0.206 0.000 2.576 138 F HA 0.715 5.257 4.527 0.025 0.000 0.313 138 F C -1.284 174.696 175.800 0.301 0.000 1.078 138 F CA -0.595 57.532 58.000 0.213 0.000 0.921 138 F CB 2.417 41.675 39.000 0.430 0.000 1.232 138 F HN 0.816 nan 8.300 nan 0.000 0.459 139 Q N 6.512 125.735 119.800 -0.962 0.000 2.309 139 Q HA 0.494 4.849 4.340 0.025 0.000 0.273 139 Q C -3.042 172.299 176.000 -1.098 0.000 1.040 139 Q CA -2.290 53.121 55.803 -0.654 0.000 0.834 139 Q CB 3.254 31.897 28.738 -0.158 0.000 1.345 139 Q HN 0.380 nan 8.270 nan 0.000 0.414 140 P HA 0.082 nan 4.420 nan 0.000 0.281 140 P C -0.400 176.747 177.300 -0.255 0.000 1.249 140 P CA -0.029 62.807 63.100 -0.441 0.000 0.810 140 P CB 0.680 32.314 31.700 -0.111 0.000 1.008 141 Y N 1.055 121.292 120.300 -0.104 0.000 2.242 141 Y HA -0.109 4.456 4.550 0.025 0.000 0.291 141 Y C 1.509 177.382 175.900 -0.045 0.000 1.137 141 Y CA 0.710 58.772 58.100 -0.063 0.000 1.181 141 Y CB 0.089 38.520 38.460 -0.047 0.000 0.989 141 Y HN 0.382 nan 8.280 nan 0.000 0.527 142 K N -1.184 119.279 120.400 0.105 0.000 2.555 142 K HA 0.415 4.749 4.320 0.025 0.000 0.279 142 K C -0.918 175.688 176.600 0.010 0.000 0.986 142 K CA -0.955 55.363 56.287 0.052 0.000 0.880 142 K CB 1.555 34.086 32.500 0.052 0.000 1.474 142 K HN -0.259 nan 8.250 nan 0.000 0.433 143 S N 0.794 116.496 115.700 0.004 0.000 2.537 143 S HA 0.139 4.623 4.470 0.025 0.000 0.286 143 S C 0.389 174.977 174.600 -0.020 0.000 1.299 143 S CA -0.592 57.600 58.200 -0.013 0.000 1.067 143 S CB -0.197 62.999 63.200 -0.007 0.000 0.864 143 S HN 0.547 nan 8.310 nan 0.000 0.494 144 L N 4.808 126.007 121.223 -0.040 0.000 2.872 144 L HA 0.139 4.493 4.340 0.025 0.000 0.245 144 L C 2.019 178.870 176.870 -0.031 0.000 1.211 144 L CA -0.054 54.768 54.840 -0.029 0.000 1.013 144 L CB -0.251 41.792 42.059 -0.027 0.000 1.326 144 L HN 0.840 nan 8.230 nan 0.000 0.525 145 S N -1.599 114.081 115.700 -0.033 0.000 2.440 145 S HA -0.194 4.291 4.470 0.025 0.000 0.238 145 S C 1.263 175.845 174.600 -0.030 0.000 1.010 145 S CA 1.158 59.337 58.200 -0.035 0.000 0.972 145 S CB -0.171 63.014 63.200 -0.025 0.000 0.774 145 S HN 0.405 nan 8.310 nan 0.000 0.501 146 D N 1.895 122.284 120.400 -0.020 0.000 2.264 146 D HA 0.029 4.683 4.640 0.025 0.000 0.208 146 D C 1.754 178.039 176.300 -0.025 0.000 0.966 146 D CA 1.328 55.318 54.000 -0.018 0.000 0.864 146 D CB -0.151 40.644 40.800 -0.009 0.000 0.933 146 D HN 0.817 nan 8.370 nan 0.000 0.499 147 I N -4.342 116.213 120.570 -0.024 0.000 4.456 147 I HA 0.232 4.417 4.170 0.025 0.000 0.329 147 I C 0.360 176.438 176.117 -0.064 0.000 1.313 147 I CA -0.075 61.204 61.300 -0.035 0.000 1.205 147 I CB 1.274 39.275 38.000 0.001 0.000 1.179 147 I HN -0.253 nan 8.210 nan 0.000 0.419 148 T N 1.664 116.179 114.554 -0.065 0.000 3.041 148 T HA 0.293 4.657 4.350 0.025 0.000 0.321 148 T C -0.081 174.561 174.700 -0.097 0.000 1.184 148 T CA -0.651 61.389 62.100 -0.099 0.000 1.050 148 T CB 1.789 70.587 68.868 -0.117 0.000 1.159 148 T HN 0.424 nan 8.240 nan 0.000 0.469 149 K N 2.617 122.959 120.400 -0.097 0.000 2.458 149 K HA 0.548 4.883 4.320 0.025 0.000 0.194 149 K C 0.768 177.320 176.600 -0.080 0.000 1.024 149 K CA -0.220 56.021 56.287 -0.077 0.000 1.108 149 K CB 0.170 32.633 32.500 -0.062 0.000 0.846 149 K HN 0.524 nan 8.250 nan 0.000 0.518 150 A N 2.236 124.979 122.820 -0.128 0.000 2.561 150 A HA -0.078 4.256 4.320 0.025 0.000 0.251 150 A C 0.583 178.096 177.584 -0.118 0.000 1.062 150 A CA 0.233 52.189 52.037 -0.135 0.000 0.761 150 A CB 0.003 18.821 19.000 -0.302 0.000 0.986 150 A HN 0.493 nan 8.150 nan 0.000 0.510 151 D N 2.355 122.769 120.400 0.023 0.000 2.144 151 D HA -0.222 4.433 4.640 0.025 0.000 0.199 151 D C 1.388 177.744 176.300 0.093 0.000 0.984 151 D CA 2.147 56.182 54.000 0.058 0.000 0.834 151 D CB -0.245 40.618 40.800 0.105 0.000 0.955 151 D HN 0.733 nan 8.370 nan 0.000 0.465 152 F N -0.300 119.665 119.950 0.026 0.000 2.408 152 F HA 0.066 4.608 4.527 0.025 0.000 0.300 152 F C 1.098 176.984 175.800 0.144 0.000 1.090 152 F CA 0.671 58.725 58.000 0.091 0.000 1.427 152 F CB -0.289 38.755 39.000 0.073 0.000 1.070 152 F HN -0.031 nan 8.300 nan 0.000 0.549 153 L N 0.769 121.685 121.223 -0.511 0.000 2.857 153 L HA 0.199 4.554 4.340 0.025 0.000 0.249 153 L C 1.862 178.639 176.870 -0.156 0.000 1.172 153 L CA 0.374 54.986 54.840 -0.381 0.000 0.980 153 L CB -0.117 41.591 42.059 -0.585 0.000 1.299 153 L HN 0.312 nan 8.230 nan 0.000 0.535 154 S N -2.385 113.265 115.700 -0.083 0.000 2.528 154 S HA 0.048 4.533 4.470 0.025 0.000 0.219 154 S C 0.382 174.976 174.600 -0.010 0.000 0.985 154 S CA -0.083 58.093 58.200 -0.040 0.000 0.914 154 S CB 0.160 63.349 63.200 -0.019 0.000 0.776 154 S HN 0.357 nan 8.310 nan 0.000 0.526 155 D N 0.595 120.999 120.400 0.006 0.000 2.871 155 D HA 0.267 4.922 4.640 0.025 0.000 0.209 155 D C -2.588 173.726 176.300 0.023 0.000 1.292 155 D CA -1.587 52.425 54.000 0.019 0.000 0.869 155 D CB 2.062 42.880 40.800 0.031 0.000 1.663 155 D HN -0.144 nan 8.370 nan 0.000 0.557 156 P HA -0.059 nan 4.420 nan 0.000 0.225 156 P C 0.459 177.774 177.300 0.025 0.000 1.148 156 P CA 0.604 63.714 63.100 0.017 0.000 0.779 156 P CB 0.486 32.206 31.700 0.035 0.000 0.780 157 N N -0.328 118.392 118.700 0.033 0.000 2.336 157 N HA 0.015 4.770 4.740 0.025 0.000 0.189 157 N C 0.608 176.149 175.510 0.052 0.000 1.113 157 N CA 0.204 53.276 53.050 0.038 0.000 0.858 157 N CB 0.104 38.609 38.487 0.031 0.000 0.970 157 N HN 0.264 nan 8.380 nan 0.000 0.471 158 K N 1.784 122.226 120.400 0.069 0.000 2.310 158 K HA 0.175 4.509 4.320 0.025 0.000 0.290 158 K C -0.476 176.218 176.600 0.157 0.000 1.077 158 K CA -0.161 56.193 56.287 0.111 0.000 0.922 158 K CB 0.417 32.994 32.500 0.129 0.000 1.057 158 K HN -0.110 nan 8.250 nan 0.000 0.479 159 I N 3.798 124.463 120.570 0.158 0.000 2.353 159 I HA 0.150 4.335 4.170 0.025 0.000 0.293 159 I C 0.120 176.410 176.117 0.287 0.000 0.992 159 I CA -0.389 61.038 61.300 0.213 0.000 1.268 159 I CB 1.532 39.608 38.000 0.125 0.000 1.387 159 I HN 0.512 nan 8.210 nan 0.000 0.478 160 T N 7.816 122.626 114.554 0.428 0.000 2.772 160 T HA 0.369 4.734 4.350 0.025 0.000 0.288 160 T C -2.458 172.503 174.700 0.436 0.000 0.994 160 T CA -1.357 61.016 62.100 0.455 0.000 0.951 160 T CB 1.625 70.860 68.868 0.611 0.000 0.933 160 T HN 0.280 nan 8.240 nan 0.000 0.447 161 P HA 0.260 nan 4.420 nan 0.000 0.269 161 P C -0.542 176.997 177.300 0.399 0.000 1.209 161 P CA -0.435 62.862 63.100 0.329 0.000 0.776 161 P CB 0.558 32.380 31.700 0.204 0.000 0.876 162 V N -0.037 120.049 119.914 0.287 0.000 3.074 162 V HA 0.735 4.870 4.120 0.025 0.000 0.314 162 V C -1.194 175.065 176.094 0.275 0.000 1.117 162 V CA -0.947 61.430 62.300 0.128 0.000 1.014 162 V CB 2.178 33.860 31.823 -0.236 0.000 1.057 162 V HN 0.317 nan 8.190 nan 0.000 0.438 163 F N 1.835 121.766 119.950 -0.031 0.000 2.539 163 F HA 0.839 5.381 4.527 0.025 0.000 0.318 163 F C -0.866 174.823 175.800 -0.186 0.000 1.135 163 F CA -0.858 57.055 58.000 -0.146 0.000 0.915 163 F CB 1.959 40.896 39.000 -0.105 0.000 1.176 163 F HN 0.511 nan 8.300 nan 0.000 0.440 164 V N 6.551 125.992 119.914 -0.788 0.000 2.555 164 V HA 0.585 4.720 4.120 0.025 0.000 0.302 164 V C -0.674 174.732 176.094 -1.147 0.000 1.038 164 V CA -0.854 60.906 62.300 -0.900 0.000 0.887 164 V CB 1.966 33.187 31.823 -1.004 0.000 0.991 164 V HN 0.741 nan 8.190 nan 0.000 0.434 165 R N 3.332 123.164 120.500 -1.113 0.000 2.480 165 R HA 0.629 4.984 4.340 0.025 0.000 0.306 165 R C -1.618 174.060 176.300 -1.037 0.000 0.958 165 R CA -0.408 55.133 56.100 -0.932 0.000 0.861 165 R CB 1.191 31.130 30.300 -0.600 0.000 1.171 165 R HN 0.563 nan 8.270 nan 0.000 0.445 166 F N 1.605 121.121 119.950 -0.723 0.000 2.440 166 F HA 0.554 5.096 4.527 0.025 0.000 0.328 166 F C 0.452 175.882 175.800 -0.618 0.000 1.070 166 F CA -0.253 57.198 58.000 -0.915 0.000 1.011 166 F CB 2.183 40.114 39.000 -1.780 0.000 1.226 166 F HN 0.599 nan 8.300 nan 0.000 0.491 167 S N -1.318 114.300 115.700 -0.137 0.000 2.588 167 S HA 0.586 5.071 4.470 0.025 0.000 0.269 167 S C -0.606 174.136 174.600 0.237 0.000 1.157 167 S CA -0.912 57.356 58.200 0.114 0.000 0.824 167 S CB 1.292 64.614 63.200 0.204 0.000 1.126 167 S HN 0.750 nan 8.310 nan 0.000 0.464 168 T N -1.458 113.235 114.554 0.232 0.000 2.865 168 T HA 0.669 5.034 4.350 0.025 0.000 0.302 168 T C 0.826 175.495 174.700 -0.052 0.000 1.078 168 T CA -0.052 62.138 62.100 0.150 0.000 0.942 168 T CB 0.271 69.232 68.868 0.156 0.000 1.387 168 T HN 0.628 nan 8.240 nan 0.000 0.557 169 V N -0.133 119.708 119.914 -0.120 0.000 2.948 169 V HA 0.134 4.268 4.120 0.025 0.000 0.234 169 V C 2.744 178.765 176.094 -0.121 0.000 1.205 169 V CA 0.346 62.451 62.300 -0.324 0.000 1.234 169 V CB -0.345 31.359 31.823 -0.197 0.000 1.020 169 V HN 0.871 nan 8.190 nan 0.000 0.491 170 Q N 1.040 120.806 119.800 -0.056 0.000 2.123 170 Q HA 0.083 4.438 4.340 0.025 0.000 0.196 170 Q C 1.258 177.236 176.000 -0.037 0.000 0.958 170 Q CA 1.297 57.064 55.803 -0.060 0.000 0.841 170 Q CB -0.088 28.600 28.738 -0.083 0.000 0.915 170 Q HN 0.587 nan 8.270 nan 0.000 0.455 171 G N -0.132 108.661 108.800 -0.012 0.000 2.572 171 G HA2 0.405 4.380 3.960 0.025 0.000 0.261 171 G HA3 0.405 4.380 3.960 0.025 0.000 0.261 171 G C 0.089 174.998 174.900 0.015 0.000 1.197 171 G CA 0.044 45.141 45.100 -0.004 0.000 0.870 171 G HN 0.320 nan 8.290 nan 0.000 0.548 172 G N -1.112 107.693 108.800 0.007 0.000 2.667 172 G HA2 0.462 4.437 3.960 0.025 0.000 0.250 172 G HA3 0.462 4.437 3.960 0.025 0.000 0.250 172 G C 1.338 176.270 174.900 0.053 0.000 1.212 172 G CA 0.448 45.562 45.100 0.024 0.000 0.874 172 G HN 1.101 nan 8.290 nan 0.000 0.561 173 A N -0.236 122.627 122.820 0.071 0.000 2.076 173 A HA 0.113 4.447 4.320 0.025 0.000 0.220 173 A C 2.171 179.796 177.584 0.068 0.000 1.160 173 A CA 1.931 54.030 52.037 0.103 0.000 0.653 173 A CB -0.295 18.783 19.000 0.129 0.000 0.801 173 A HN 1.176 nan 8.150 nan 0.000 0.455 174 G N -0.113 108.707 108.800 0.034 0.000 3.523 174 G HA2 0.360 4.334 3.960 0.025 0.000 0.270 174 G HA3 0.360 4.334 3.960 0.025 0.000 0.270 174 G C 0.607 175.510 174.900 0.004 0.000 1.134 174 G CA 0.620 45.725 45.100 0.009 0.000 0.825 174 G HN 0.637 nan 8.290 nan 0.000 0.534 175 S N -0.279 115.433 115.700 0.020 0.000 2.661 175 S HA 0.761 5.246 4.470 0.025 0.000 0.265 175 S C 0.405 175.020 174.600 0.026 0.000 1.225 175 S CA -0.106 58.103 58.200 0.014 0.000 0.986 175 S CB 1.650 64.860 63.200 0.016 0.000 1.008 175 S HN 0.576 nan 8.310 nan 0.000 0.565 176 A N 0.062 122.893 122.820 0.019 0.000 2.293 176 A HA 0.490 4.825 4.320 0.025 0.000 0.302 176 A C 0.509 178.116 177.584 0.038 0.000 1.119 176 A CA -0.657 51.387 52.037 0.013 0.000 0.823 176 A CB 0.109 19.099 19.000 -0.017 0.000 1.097 176 A HN 0.843 nan 8.150 nan 0.000 0.491 177 D N 0.611 121.025 120.400 0.024 0.000 2.103 177 D HA -0.072 4.583 4.640 0.025 0.000 0.199 177 D C 1.664 177.947 176.300 -0.027 0.000 0.978 177 D CA 2.299 56.327 54.000 0.048 0.000 0.829 177 D CB -0.196 40.592 40.800 -0.020 0.000 0.981 177 D HN 0.676 nan 8.370 nan 0.000 0.464 178 T N -0.149 114.306 114.554 -0.166 0.000 3.406 178 T HA 0.279 4.644 4.350 0.025 0.000 0.244 178 T C 0.826 175.512 174.700 -0.022 0.000 0.949 178 T CA -0.566 61.428 62.100 -0.176 0.000 0.926 178 T CB -1.009 67.664 68.868 -0.324 0.000 1.089 178 T HN -0.073 nan 8.240 nan 0.000 0.604 179 V N -1.273 118.681 119.914 0.066 0.000 3.441 179 V HA 0.463 4.598 4.120 0.025 0.000 0.300 179 V C 0.668 176.907 176.094 0.241 0.000 1.091 179 V CA -1.429 60.962 62.300 0.153 0.000 1.099 179 V CB 0.442 32.341 31.823 0.127 0.000 1.138 179 V HN 0.552 nan 8.190 nan 0.000 0.471 180 R N 1.439 122.131 120.500 0.319 0.000 2.202 180 R HA 0.501 4.856 4.340 0.025 0.000 0.334 180 R C -1.041 175.342 176.300 0.139 0.000 1.036 180 R CA -0.108 56.134 56.100 0.237 0.000 0.878 180 R CB 0.214 30.588 30.300 0.122 0.000 1.067 180 R HN 1.065 nan 8.270 nan 0.000 0.457 181 D N 3.350 123.844 120.400 0.157 0.000 2.710 181 D HA 0.172 4.826 4.640 0.025 0.000 0.276 181 D C -0.596 175.821 176.300 0.194 0.000 1.267 181 D CA -0.621 53.462 54.000 0.138 0.000 0.772 181 D CB 1.200 42.070 40.800 0.117 0.000 1.299 181 D HN 0.221 nan 8.370 nan 0.000 0.421 182 I N 1.327 122.031 120.570 0.224 0.000 2.938 182 I HA 0.207 4.392 4.170 0.025 0.000 0.285 182 I C 0.885 177.142 176.117 0.232 0.000 1.182 182 I CA -0.010 61.432 61.300 0.238 0.000 1.388 182 I CB 0.008 38.184 38.000 0.292 0.000 1.390 182 I HN 0.257 nan 8.210 nan 0.000 0.600 183 R N 2.735 123.394 120.500 0.265 0.000 2.589 183 R HA 0.529 4.883 4.340 0.025 0.000 0.293 183 R C -0.021 176.471 176.300 0.320 0.000 0.963 183 R CA -0.771 55.503 56.100 0.290 0.000 0.905 183 R CB 1.273 31.769 30.300 0.327 0.000 1.144 183 R HN 0.795 nan 8.270 nan 0.000 0.459 184 G N 1.116 110.127 108.800 0.352 0.000 2.444 184 G HA2 0.417 4.392 3.960 0.025 0.000 0.268 184 G HA3 0.417 4.392 3.960 0.025 0.000 0.268 184 G C -1.198 173.793 174.900 0.151 0.000 1.203 184 G CA -0.016 45.264 45.100 0.301 0.000 0.835 184 G HN 0.366 nan 8.290 nan 0.000 0.543 185 F N 1.991 121.852 119.950 -0.147 0.000 3.034 185 F HA 0.634 5.175 4.527 0.024 0.000 0.371 185 F C -0.272 175.238 175.800 -0.483 0.000 1.233 185 F CA -1.828 55.987 58.000 -0.309 0.000 1.134 185 F CB 1.076 40.010 39.000 -0.110 0.000 1.495 185 F HN 0.680 nan 8.300 nan 0.000 0.563 186 A N 3.426 125.990 122.820 -0.427 0.000 2.318 186 A HA 0.813 5.148 4.320 0.025 0.000 0.324 186 A C -0.718 176.431 177.584 -0.725 0.000 1.170 186 A CA -0.475 51.129 52.037 -0.721 0.000 0.810 186 A CB 0.971 19.128 19.000 -1.404 0.000 1.198 186 A HN 0.557 nan 8.150 nan 0.000 0.484 187 T N 2.229 116.514 114.554 -0.447 0.000 2.840 187 T HA 0.377 4.742 4.350 0.025 0.000 0.287 187 T C -0.458 174.046 174.700 -0.327 0.000 0.991 187 T CA -0.476 61.362 62.100 -0.436 0.000 0.964 187 T CB 1.055 69.586 68.868 -0.562 0.000 0.954 187 T HN 0.638 nan 8.240 nan 0.000 0.438 188 K N 3.624 123.908 120.400 -0.193 0.000 2.281 188 K HA 0.461 4.796 4.320 0.025 0.000 0.272 188 K C -1.263 175.010 176.600 -0.545 0.000 1.048 188 K CA -0.590 55.500 56.287 -0.328 0.000 0.898 188 K CB 0.316 32.560 32.500 -0.426 0.000 1.128 188 K HN 0.390 nan 8.250 nan 0.000 0.460 189 F N 4.214 123.870 119.950 -0.490 0.000 2.391 189 F HA 0.235 4.777 4.527 0.024 0.000 0.359 189 F C -0.395 175.202 175.800 -0.338 0.000 1.122 189 F CA -0.584 57.195 58.000 -0.368 0.000 1.120 189 F CB 0.711 39.409 39.000 -0.503 0.000 1.142 189 F HN 0.446 nan 8.300 nan 0.000 0.483 190 Y N 1.877 122.241 120.300 0.107 0.000 2.714 190 Y HA 0.211 4.776 4.550 0.024 0.000 0.333 190 Y C 0.999 176.960 175.900 0.102 0.000 1.220 190 Y CA -0.823 57.320 58.100 0.071 0.000 1.513 190 Y CB -0.101 38.389 38.460 0.051 0.000 1.435 190 Y HN 0.534 nan 8.280 nan 0.000 0.489 191 T N -2.320 112.339 114.554 0.174 0.000 2.874 191 T HA 0.167 4.531 4.350 0.025 0.000 0.281 191 T C 1.040 175.838 174.700 0.162 0.000 0.994 191 T CA -0.671 61.535 62.100 0.177 0.000 1.015 191 T CB 1.100 70.050 68.868 0.138 0.000 1.028 191 T HN 0.650 nan 8.240 nan 0.000 0.523 192 E N 0.231 120.529 120.200 0.164 0.000 2.338 192 E HA -0.064 4.301 4.350 0.025 0.000 0.197 192 E C 1.049 177.716 176.600 0.113 0.000 1.007 192 E CA 0.816 57.294 56.400 0.130 0.000 0.849 192 E CB 0.117 29.889 29.700 0.120 0.000 0.774 192 E HN 0.737 nan 8.360 nan 0.000 0.506 193 E N 0.090 120.360 120.200 0.117 0.000 2.569 193 E HA 0.260 4.625 4.350 0.025 0.000 0.205 193 E C 0.088 176.741 176.600 0.088 0.000 1.006 193 E CA -0.216 56.245 56.400 0.101 0.000 0.985 193 E CB 1.208 30.969 29.700 0.103 0.000 1.060 193 E HN 0.189 nan 8.360 nan 0.000 0.460 194 G N 1.064 109.912 108.800 0.080 0.000 2.392 194 G HA2 -0.126 3.849 3.960 0.025 0.000 0.677 194 G HA3 -0.126 3.849 3.960 0.025 0.000 0.677 194 G C -0.889 174.027 174.900 0.026 0.000 1.334 194 G CA -1.121 44.004 45.100 0.041 0.000 0.961 194 G HN 0.027 nan 8.290 nan 0.000 0.616 195 I N 0.632 121.180 120.570 -0.037 0.000 2.556 195 I HA 0.396 4.581 4.170 0.025 0.000 0.284 195 I C 0.141 176.272 176.117 0.023 0.000 1.114 195 I CA 0.017 61.267 61.300 -0.083 0.000 1.418 195 I CB 0.737 38.616 38.000 -0.201 0.000 1.394 195 I HN 0.481 nan 8.210 nan 0.000 0.552 196 F N 6.731 126.582 119.950 -0.166 0.000 2.449 196 F HA 0.446 4.988 4.527 0.025 0.000 0.342 196 F C -0.582 175.182 175.800 -0.060 0.000 1.127 196 F CA -1.201 56.700 58.000 -0.165 0.000 0.975 196 F CB 0.812 39.560 39.000 -0.419 0.000 1.146 196 F HN 0.343 nan 8.300 nan 0.000 0.444 197 D N 6.859 127.036 120.400 -0.372 0.000 2.280 197 D HA 0.261 4.916 4.640 0.025 0.000 0.236 197 D C -0.691 175.092 176.300 -0.862 0.000 1.082 197 D CA 0.027 53.753 54.000 -0.456 0.000 0.834 197 D CB 2.322 43.066 40.800 -0.094 0.000 1.100 197 D HN 0.638 nan 8.370 nan 0.000 0.486 198 L N 3.148 123.839 121.223 -0.887 0.000 2.272 198 L HA 0.285 4.640 4.340 0.025 0.000 0.284 198 L C -0.958 175.680 176.870 -0.387 0.000 1.045 198 L CA -0.608 53.795 54.840 -0.728 0.000 0.842 198 L CB 0.746 42.398 42.059 -0.678 0.000 1.224 198 L HN 0.056 nan 8.230 nan 0.000 0.430 199 V N 5.394 125.121 119.914 -0.311 0.000 2.259 199 V HA 0.509 4.644 4.120 0.025 0.000 0.267 199 V C 0.752 176.740 176.094 -0.177 0.000 1.051 199 V CA -0.311 61.818 62.300 -0.285 0.000 0.830 199 V CB 0.647 32.256 31.823 -0.356 0.000 1.080 199 V HN 0.817 nan 8.190 nan 0.000 0.467 200 G N 3.226 111.941 108.800 -0.141 0.000 2.667 200 G HA2 0.668 4.643 3.960 0.025 0.000 0.310 200 G HA3 0.668 4.643 3.960 0.025 0.000 0.310 200 G C -0.868 174.057 174.900 0.042 0.000 1.259 200 G CA -0.579 44.495 45.100 -0.044 0.000 1.019 200 G HN 0.479 nan 8.290 nan 0.000 0.496 201 N N -1.064 117.705 118.700 0.116 0.000 2.701 201 N HA 0.256 5.011 4.740 0.025 0.000 0.290 201 N C 0.306 175.999 175.510 0.304 0.000 1.338 201 N CA -0.763 52.415 53.050 0.214 0.000 0.799 201 N CB 1.371 39.964 38.487 0.177 0.000 1.491 201 N HN 0.534 nan 8.380 nan 0.000 0.540 202 N N -1.268 117.628 118.700 0.327 0.000 2.268 202 N HA 0.007 4.761 4.740 0.025 0.000 0.204 202 N C -0.590 175.182 175.510 0.437 0.000 1.124 202 N CA -0.111 53.191 53.050 0.420 0.000 0.838 202 N CB -0.106 38.602 38.487 0.369 0.000 0.994 202 N HN 0.545 nan 8.380 nan 0.000 0.489 203 T N -3.524 111.107 114.554 0.128 0.000 2.903 203 T HA 0.468 4.832 4.350 0.025 0.000 0.299 203 T C -2.708 171.380 174.700 -1.021 0.000 1.093 203 T CA -1.527 60.184 62.100 -0.648 0.000 1.002 203 T CB 2.934 71.305 68.868 -0.828 0.000 1.127 203 T HN -0.241 nan 8.240 nan 0.000 0.488 204 P HA 0.234 nan 4.420 nan 0.000 0.255 204 P C 0.373 177.173 177.300 -0.834 0.000 1.248 204 P CA -0.005 62.262 63.100 -1.388 0.000 0.807 204 P CB -0.091 30.729 31.700 -1.467 0.000 1.150 205 I N -4.502 115.543 120.570 -0.875 0.000 3.343 205 I HA 0.571 4.755 4.170 0.025 0.000 0.315 205 I C -1.468 174.378 176.117 -0.452 0.000 1.153 205 I CA -1.838 59.087 61.300 -0.627 0.000 0.952 205 I CB 1.571 39.139 38.000 -0.721 0.000 1.287 205 I HN -0.232 nan 8.210 nan 0.000 0.472 206 F N 0.100 119.756 119.950 -0.490 0.000 2.654 206 F HA 0.516 5.057 4.527 0.024 0.000 0.334 206 F C 0.240 175.780 175.800 -0.433 0.000 1.078 206 F CA -0.759 56.983 58.000 -0.430 0.000 0.986 206 F CB 1.984 40.869 39.000 -0.193 0.000 1.362 206 F HN 0.382 nan 8.300 nan 0.000 0.498 207 F N 2.151 121.245 119.950 -1.426 0.000 2.325 207 F HA 0.043 4.584 4.527 0.025 0.000 0.299 207 F C 0.662 176.157 175.800 -0.507 0.000 1.090 207 F CA 0.875 58.275 58.000 -0.999 0.000 1.392 207 F CB -0.137 37.854 39.000 -1.682 0.000 1.053 207 F HN 0.142 nan 8.300 nan 0.000 0.521 208 I N -3.557 116.978 120.570 -0.058 0.000 3.042 208 I HA 0.372 4.557 4.170 0.025 0.000 0.310 208 I C 0.338 176.606 176.117 0.251 0.000 1.117 208 I CA -0.844 60.546 61.300 0.149 0.000 1.003 208 I CB 1.927 40.084 38.000 0.262 0.000 1.228 208 I HN -0.185 nan 8.210 nan 0.000 0.443 209 Q N 0.341 120.287 119.800 0.243 0.000 2.259 209 Q HA 0.143 4.498 4.340 0.025 0.000 0.201 209 Q C -0.297 175.878 176.000 0.293 0.000 0.938 209 Q CA 0.655 56.641 55.803 0.304 0.000 0.872 209 Q CB 0.513 29.495 28.738 0.406 0.000 0.971 209 Q HN 0.649 nan 8.270 nan 0.000 0.494 210 D N -1.147 119.397 120.400 0.240 0.000 2.505 210 D HA 0.306 4.961 4.640 0.025 0.000 0.249 210 D C -0.020 176.408 176.300 0.212 0.000 1.082 210 D CA -0.195 53.915 54.000 0.184 0.000 0.839 210 D CB 1.875 42.756 40.800 0.134 0.000 1.317 210 D HN 0.048 nan 8.370 nan 0.000 0.497 211 A N 3.395 126.311 122.820 0.159 0.000 2.024 211 A HA -0.241 4.094 4.320 0.025 0.000 0.220 211 A C 1.790 179.496 177.584 0.203 0.000 1.164 211 A CA 1.648 53.775 52.037 0.149 0.000 0.643 211 A CB -0.771 18.258 19.000 0.049 0.000 0.806 211 A HN 0.817 nan 8.150 nan 0.000 0.451 212 H N 0.086 119.214 119.070 0.097 0.000 2.460 212 H HA -0.055 4.516 4.556 0.025 0.000 0.297 212 H C 1.529 176.936 175.328 0.131 0.000 1.103 212 H CA 1.940 58.040 56.048 0.086 0.000 1.292 212 H CB 0.039 29.827 29.762 0.044 0.000 1.376 212 H HN 0.433 nan 8.280 nan 0.000 0.531 213 K N -0.763 119.757 120.400 0.200 0.000 2.404 213 K HA -0.026 4.309 4.320 0.025 0.000 0.194 213 K C 1.342 178.078 176.600 0.227 0.000 1.023 213 K CA -0.010 56.392 56.287 0.192 0.000 1.094 213 K CB 0.113 32.784 32.500 0.285 0.000 0.841 213 K HN 0.299 nan 8.250 nan 0.000 0.523 214 F N 2.794 122.796 119.950 0.087 0.000 2.134 214 F HA -0.095 4.446 4.527 0.024 0.000 0.299 214 F C -1.070 174.745 175.800 0.026 0.000 1.097 214 F CA 0.981 59.067 58.000 0.144 0.000 1.264 214 F CB -0.292 38.780 39.000 0.120 0.000 1.001 214 F HN 0.002 nan 8.300 nan 0.000 0.479 215 P HA -0.133 nan 4.420 nan 0.000 0.218 215 P C 0.957 177.938 177.300 -0.531 0.000 1.149 215 P CA 1.634 64.495 63.100 -0.398 0.000 0.817 215 P CB -0.032 31.457 31.700 -0.352 0.000 0.785 216 D N -1.378 118.857 120.400 -0.275 0.000 2.084 216 D HA -0.138 4.517 4.640 0.025 0.000 0.196 216 D C 1.810 177.817 176.300 -0.487 0.000 0.985 216 D CA 0.990 54.861 54.000 -0.215 0.000 0.826 216 D CB -0.849 39.999 40.800 0.080 0.000 0.978 216 D HN 0.139 nan 8.370 nan 0.000 0.456 217 F N 2.017 121.559 119.950 -0.681 0.000 2.069 217 F HA -0.257 4.284 4.527 0.025 0.000 0.298 217 F C 2.313 177.734 175.800 -0.631 0.000 1.113 217 F CA 1.293 58.720 58.000 -0.955 0.000 1.214 217 F CB -0.257 38.404 39.000 -0.564 0.000 0.978 217 F HN -0.248 nan 8.300 nan 0.000 0.474 218 V N 0.300 119.805 119.914 -0.681 0.000 2.332 218 V HA -0.360 3.775 4.120 0.025 0.000 0.248 218 V C 2.286 178.153 176.094 -0.378 0.000 1.055 218 V CA 2.473 64.394 62.300 -0.631 0.000 1.038 218 V CB -1.103 30.370 31.823 -0.583 0.000 0.651 218 V HN 0.490 nan 8.190 nan 0.000 0.450 219 H N -0.296 118.538 119.070 -0.393 0.000 2.387 219 H HA -0.143 4.428 4.556 0.024 0.000 0.299 219 H C 2.327 177.501 175.328 -0.257 0.000 1.099 219 H CA 1.058 56.957 56.048 -0.249 0.000 1.315 219 H CB 0.035 29.700 29.762 -0.161 0.000 1.380 219 H HN 0.492 nan 8.280 nan 0.000 0.513 220 A N 0.390 123.032 122.820 -0.296 0.000 1.930 220 A HA -0.109 4.226 4.320 0.025 0.000 0.217 220 A C 2.494 179.919 177.584 -0.265 0.000 1.175 220 A CA 1.382 53.240 52.037 -0.297 0.000 0.627 220 A CB -0.647 18.061 19.000 -0.487 0.000 0.815 220 A HN 0.307 nan 8.150 nan 0.000 0.443 221 V N -0.328 119.299 119.914 -0.478 0.000 2.788 221 V HA 0.016 4.151 4.120 0.025 0.000 0.251 221 V C 0.872 176.925 176.094 -0.069 0.000 1.068 221 V CA 0.740 62.835 62.300 -0.342 0.000 1.090 221 V CB -0.453 30.960 31.823 -0.684 0.000 0.710 221 V HN 0.327 nan 8.190 nan 0.000 0.467 222 K N 1.114 121.438 120.400 -0.126 0.000 2.187 222 K HA 0.216 4.551 4.320 0.025 0.000 0.247 222 K C -2.297 174.256 176.600 -0.078 0.000 1.019 222 K CA -1.595 54.636 56.287 -0.095 0.000 0.893 222 K CB -0.292 32.145 32.500 -0.106 0.000 1.025 222 K HN 0.176 nan 8.250 nan 0.000 0.500 223 P HA -0.023 nan 4.420 nan 0.000 0.266 223 P C -0.475 176.769 177.300 -0.092 0.000 1.195 223 P CA 0.402 63.372 63.100 -0.216 0.000 0.768 223 P CB 0.361 31.936 31.700 -0.208 0.000 0.838 224 E N 4.772 124.963 120.200 -0.015 0.000 2.398 224 E HA 0.013 4.378 4.350 0.025 0.000 0.263 224 E C -1.335 175.363 176.600 0.163 0.000 1.046 224 E CA -1.342 55.167 56.400 0.182 0.000 0.908 224 E CB 0.190 30.145 29.700 0.426 0.000 0.963 224 E HN 0.428 nan 8.360 nan 0.000 0.431 225 P HA -0.146 nan 4.420 nan 0.000 0.231 225 P C 0.887 178.277 177.300 0.151 0.000 1.168 225 P CA 1.112 64.269 63.100 0.095 0.000 0.779 225 P CB 0.137 31.855 31.700 0.031 0.000 0.844 226 H N -0.495 118.621 119.070 0.077 0.000 2.333 226 H HA -0.072 4.499 4.556 0.025 0.000 0.302 226 H C 1.461 176.895 175.328 0.176 0.000 1.075 226 H CA 1.391 57.472 56.048 0.054 0.000 1.348 226 H CB -1.354 28.370 29.762 -0.064 0.000 1.393 226 H HN 0.298 nan 8.280 nan 0.000 0.509 227 W N -0.025 120.906 121.300 -0.615 0.000 2.870 227 W HA 0.698 5.373 4.660 0.024 0.000 0.358 227 W C 0.433 176.786 176.519 -0.276 0.000 1.043 227 W CA -1.017 56.087 57.345 -0.401 0.000 1.692 227 W CB -0.701 28.482 29.460 -0.460 0.000 1.100 227 W HN 0.441 nan 8.180 nan 0.000 0.557 228 A N 1.263 124.052 122.820 -0.051 0.000 2.667 228 A HA -0.123 4.211 4.320 0.025 0.000 0.298 228 A C -0.455 176.883 177.584 -0.410 0.000 1.483 228 A CA 1.395 53.323 52.037 -0.182 0.000 0.738 228 A CB -2.408 16.518 19.000 -0.124 0.000 1.067 228 A HN 0.463 nan 8.150 nan 0.000 0.451 229 I N 0.396 120.572 120.570 -0.657 0.000 2.769 229 I HA 0.566 4.751 4.170 0.025 0.000 0.298 229 I C -2.453 173.337 176.117 -0.544 0.000 1.128 229 I CA -2.455 58.372 61.300 -0.788 0.000 1.031 229 I CB 2.968 40.008 38.000 -1.600 0.000 1.235 229 I HN 0.223 nan 8.210 nan 0.000 0.423 230 P HA 0.290 nan 4.420 nan 0.000 0.290 230 P C -1.576 175.554 177.300 -0.283 0.000 1.283 230 P CA -0.768 62.105 63.100 -0.379 0.000 0.869 230 P CB 1.562 33.114 31.700 -0.245 0.000 1.100 231 Q N 0.751 120.432 119.800 -0.198 0.000 2.267 231 Q HA 0.484 4.838 4.340 0.025 0.000 0.255 231 Q C 1.058 177.016 176.000 -0.070 0.000 0.923 231 Q CA 0.966 56.691 55.803 -0.129 0.000 0.925 231 Q CB -0.280 28.392 28.738 -0.109 0.000 1.195 231 Q HN 0.821 nan 8.270 nan 0.000 0.417 232 G N 3.233 112.002 108.800 -0.052 0.000 2.198 232 G HA2 -0.282 3.693 3.960 0.025 0.000 0.260 232 G HA3 -0.282 3.693 3.960 0.025 0.000 0.260 232 G C -0.453 174.457 174.900 0.017 0.000 1.025 232 G CA 0.531 45.627 45.100 -0.006 0.000 0.769 232 G HN 0.545 nan 8.290 nan 0.000 0.507 233 Q N -1.122 118.672 119.800 -0.011 0.000 2.309 233 Q HA 0.563 4.918 4.340 0.025 0.000 0.273 233 Q C 0.673 176.670 176.000 -0.004 0.000 1.040 233 Q CA -0.171 55.649 55.803 0.029 0.000 0.834 233 Q CB 1.812 30.612 28.738 0.103 0.000 1.345 233 Q HN 0.452 nan 8.270 nan 0.000 0.414 234 S N -0.628 114.976 115.700 -0.160 0.000 2.556 234 S HA 0.218 4.703 4.470 0.025 0.000 0.216 234 S C 0.911 175.441 174.600 -0.117 0.000 0.970 234 S CA -0.015 57.867 58.200 -0.531 0.000 0.912 234 S CB 0.374 62.683 63.200 -1.486 0.000 0.790 234 S HN 0.608 nan 8.310 nan 0.000 0.504 235 A N 2.401 125.349 122.820 0.213 0.000 3.048 235 A HA 0.505 4.840 4.320 0.025 0.000 0.264 235 A C 0.152 177.971 177.584 0.393 0.000 1.796 235 A CA -0.497 51.752 52.037 0.353 0.000 1.445 235 A CB -1.311 17.830 19.000 0.236 0.000 1.074 235 A HN 0.897 nan 8.150 nan 0.000 0.621 236 H N -3.751 115.515 119.070 0.327 0.000 2.981 236 H HA 0.486 5.057 4.556 0.025 0.000 0.327 236 H C -0.237 175.292 175.328 0.335 0.000 1.342 236 H CA -0.703 55.499 56.048 0.258 0.000 1.123 236 H CB 0.200 30.072 29.762 0.184 0.000 1.851 236 H HN 0.061 nan 8.280 nan 0.000 0.531 237 D N 0.126 120.689 120.400 0.273 0.000 2.104 237 D HA -0.197 4.457 4.640 0.025 0.000 0.194 237 D C 2.102 178.460 176.300 0.097 0.000 0.994 237 D CA 3.125 57.225 54.000 0.167 0.000 0.830 237 D CB -0.333 40.544 40.800 0.129 0.000 0.959 237 D HN 0.777 nan 8.370 nan 0.000 0.452 238 T N -1.633 112.966 114.554 0.076 0.000 2.867 238 T HA -0.191 4.173 4.350 0.025 0.000 0.268 238 T C 1.897 176.541 174.700 -0.093 0.000 1.057 238 T CA 0.652 62.769 62.100 0.027 0.000 1.136 238 T CB -0.690 68.244 68.868 0.110 0.000 0.874 238 T HN 0.177 nan 8.240 nan 0.000 0.466 239 F N 0.635 120.283 119.950 -0.504 0.000 2.113 239 F HA 0.105 4.647 4.527 0.024 0.000 0.297 239 F C 1.841 177.401 175.800 -0.400 0.000 1.103 239 F CA 0.681 58.325 58.000 -0.593 0.000 1.248 239 F CB -0.506 37.952 39.000 -0.902 0.000 0.999 239 F HN 0.136 nan 8.300 nan 0.000 0.475 240 W N 0.626 121.863 121.300 -0.104 0.000 2.467 240 W HA -0.074 4.601 4.660 0.025 0.000 0.275 240 W C 2.296 178.736 176.519 -0.131 0.000 1.239 240 W CA 1.014 58.285 57.345 -0.122 0.000 1.266 240 W CB -0.614 28.860 29.460 0.024 0.000 1.112 240 W HN 0.063 nan 8.180 nan 0.000 0.576 241 D N -0.505 119.942 120.400 0.079 0.000 2.087 241 D HA -0.304 4.351 4.640 0.025 0.000 0.192 241 D C 1.890 178.195 176.300 0.007 0.000 0.993 241 D CA 1.600 55.625 54.000 0.041 0.000 0.828 241 D CB -0.630 40.202 40.800 0.054 0.000 0.968 241 D HN 0.173 nan 8.370 nan 0.000 0.448 242 Y N 0.536 120.739 120.300 -0.162 0.000 2.081 242 Y HA -0.253 4.312 4.550 0.025 0.000 0.280 242 Y C 2.338 178.108 175.900 -0.217 0.000 1.163 242 Y CA 1.802 59.789 58.100 -0.189 0.000 1.135 242 Y CB -0.523 37.793 38.460 -0.241 0.000 0.970 242 Y HN -0.095 nan 8.280 nan 0.000 0.498 243 V N 0.171 119.964 119.914 -0.200 0.000 2.332 243 V HA -0.361 3.773 4.120 0.025 0.000 0.248 243 V C 2.585 178.619 176.094 -0.100 0.000 1.055 243 V CA 2.266 64.434 62.300 -0.219 0.000 1.038 243 V CB -1.291 30.300 31.823 -0.387 0.000 0.651 243 V HN 0.678 nan 8.190 nan 0.000 0.450 244 S N -0.337 115.348 115.700 -0.025 0.000 2.442 244 S HA -0.066 4.419 4.470 0.025 0.000 0.236 244 S C 1.660 176.226 174.600 -0.058 0.000 1.007 244 S CA 1.395 59.602 58.200 0.011 0.000 0.965 244 S CB -0.416 62.819 63.200 0.057 0.000 0.773 244 S HN 0.567 nan 8.310 nan 0.000 0.504 245 L N -0.080 121.059 121.223 -0.139 0.000 2.640 245 L HA 0.348 4.703 4.340 0.025 0.000 0.230 245 L C 0.425 177.124 176.870 -0.285 0.000 1.123 245 L CA 0.054 54.788 54.840 -0.176 0.000 0.900 245 L CB 0.150 42.105 42.059 -0.174 0.000 1.146 245 L HN 0.237 nan 8.230 nan 0.000 0.484 246 Q N 0.395 119.986 119.800 -0.350 0.000 3.244 246 Q HA 0.224 4.579 4.340 0.025 0.000 0.249 246 Q C -1.957 173.817 176.000 -0.377 0.000 0.951 246 Q CA -1.343 54.205 55.803 -0.425 0.000 0.740 246 Q CB 1.531 29.899 28.738 -0.617 0.000 1.334 246 Q HN 0.000 nan 8.270 nan 0.000 0.448 247 P HA -0.222 nan 4.420 nan 0.000 0.225 247 P C 0.981 177.976 177.300 -0.510 0.000 1.148 247 P CA 1.092 63.935 63.100 -0.429 0.000 0.779 247 P CB 0.255 31.678 31.700 -0.461 0.000 0.780 248 E N 0.840 120.594 120.200 -0.743 0.000 2.273 248 E HA -0.197 4.168 4.350 0.025 0.000 0.198 248 E C 1.418 177.964 176.600 -0.090 0.000 1.002 248 E CA 1.922 58.140 56.400 -0.302 0.000 0.828 248 E CB -1.293 28.303 29.700 -0.172 0.000 0.747 248 E HN 0.301 nan 8.360 nan 0.000 0.491 249 T N -1.024 113.478 114.554 -0.087 0.000 3.085 249 T HA 0.071 4.436 4.350 0.025 0.000 0.263 249 T C 1.886 176.644 174.700 0.097 0.000 1.127 249 T CA 0.235 62.347 62.100 0.021 0.000 1.103 249 T CB -0.224 68.675 68.868 0.052 0.000 0.921 249 T HN 0.138 nan 8.240 nan 0.000 0.510 250 L N 0.018 121.303 121.223 0.103 0.000 2.141 250 L HA -0.028 4.327 4.340 0.025 0.000 0.209 250 L C 2.824 179.864 176.870 0.282 0.000 1.094 250 L CA 1.552 56.527 54.840 0.226 0.000 0.763 250 L CB -0.714 41.495 42.059 0.249 0.000 0.908 250 L HN 0.468 nan 8.230 nan 0.000 0.437 251 H N -0.024 119.094 119.070 0.080 0.000 2.293 251 H HA -0.205 4.366 4.556 0.025 0.000 0.300 251 H C 2.148 177.474 175.328 -0.003 0.000 1.082 251 H CA 1.805 57.896 56.048 0.070 0.000 1.308 251 H CB 0.248 30.021 29.762 0.017 0.000 1.375 251 H HN 0.360 nan 8.280 nan 0.000 0.495 252 N N -0.111 118.414 118.700 -0.291 0.000 2.270 252 N HA -0.121 4.634 4.740 0.025 0.000 0.181 252 N C 1.961 177.298 175.510 -0.288 0.000 1.016 252 N CA 0.710 53.356 53.050 -0.674 0.000 0.870 252 N CB 0.301 37.903 38.487 -1.476 0.000 0.979 252 N HN 0.118 nan 8.380 nan 0.000 0.431 253 V N 1.857 121.830 119.914 0.099 0.000 2.282 253 V HA -0.290 3.845 4.120 0.025 0.000 0.249 253 V C 2.547 178.777 176.094 0.227 0.000 1.057 253 V CA 1.372 63.875 62.300 0.338 0.000 1.032 253 V CB -0.415 31.652 31.823 0.407 0.000 0.645 253 V HN 0.408 nan 8.190 nan 0.000 0.447 254 M N -1.599 118.169 119.600 0.280 0.000 2.080 254 M HA -0.222 4.273 4.480 0.025 0.000 0.260 254 M C 2.093 178.364 176.300 -0.049 0.000 1.068 254 M CA 1.967 57.419 55.300 0.253 0.000 1.109 254 M CB -1.269 31.507 32.600 0.293 0.000 1.342 254 M HN 0.477 nan 8.290 nan 0.000 0.405 255 W N 0.486 121.500 121.300 -0.476 0.000 2.338 255 W HA -0.119 4.556 4.660 0.025 0.000 0.304 255 W C 2.808 179.251 176.519 -0.128 0.000 1.212 255 W CA 1.912 58.956 57.345 -0.503 0.000 1.264 255 W CB -1.040 28.068 29.460 -0.587 0.000 1.142 255 W HN 0.300 nan 8.180 nan 0.000 0.512 256 A N -0.804 122.098 122.820 0.137 0.000 1.969 256 A HA -0.148 4.186 4.320 0.025 0.000 0.218 256 A C 1.910 179.546 177.584 0.085 0.000 1.169 256 A CA 1.505 53.630 52.037 0.147 0.000 0.635 256 A CB -0.556 18.571 19.000 0.212 0.000 0.810 256 A HN 0.090 nan 8.150 nan 0.000 0.445 257 M N 0.777 120.379 119.600 0.004 0.000 2.492 257 M HA 0.019 4.514 4.480 0.025 0.000 0.262 257 M C 1.408 177.748 176.300 0.066 0.000 1.090 257 M CA 0.728 55.968 55.300 -0.099 0.000 1.110 257 M CB -1.400 30.866 32.600 -0.556 0.000 1.407 257 M HN 0.538 nan 8.290 nan 0.000 0.470 258 S N 0.123 115.920 115.700 0.162 0.000 2.641 258 S HA 0.116 4.601 4.470 0.025 0.000 0.261 258 S C 0.712 175.447 174.600 0.224 0.000 1.257 258 S CA -0.500 57.844 58.200 0.239 0.000 0.983 258 S CB 1.006 64.398 63.200 0.320 0.000 0.990 258 S HN 0.168 nan 8.310 nan 0.000 0.572 259 D N 0.220 120.772 120.400 0.254 0.000 2.378 259 D HA 0.013 4.668 4.640 0.025 0.000 0.222 259 D C 1.864 178.313 176.300 0.247 0.000 0.980 259 D CA 0.350 54.519 54.000 0.282 0.000 0.907 259 D CB -0.159 40.873 40.800 0.388 0.000 0.899 259 D HN 0.388 nan 8.370 nan 0.000 0.527 260 R N 0.208 120.845 120.500 0.229 0.000 2.127 260 R HA -0.070 4.285 4.340 0.025 0.000 0.238 260 R C 2.070 178.528 176.300 0.264 0.000 1.134 260 R CA 1.074 57.333 56.100 0.265 0.000 0.975 260 R CB -0.835 29.680 30.300 0.358 0.000 0.865 260 R HN 0.186 nan 8.270 nan 0.000 0.447 261 G N 1.336 110.280 108.800 0.239 0.000 2.776 261 G HA2 -0.020 3.954 3.960 0.025 0.000 0.209 261 G HA3 -0.020 3.954 3.960 0.025 0.000 0.209 261 G C 1.030 176.073 174.900 0.239 0.000 1.145 261 G CA 0.118 45.352 45.100 0.223 0.000 0.791 261 G HN 0.433 nan 8.290 nan 0.000 0.530 262 I N -2.407 118.314 120.570 0.252 0.000 2.926 262 I HA 0.357 4.541 4.170 0.025 0.000 0.295 262 I C -2.889 173.383 176.117 0.258 0.000 1.463 262 I CA -2.576 58.879 61.300 0.258 0.000 0.892 262 I CB 1.773 39.929 38.000 0.260 0.000 1.874 262 I HN -0.270 nan 8.210 nan 0.000 0.620 263 P HA 0.076 nan 4.420 nan 0.000 0.269 263 P C 0.593 178.039 177.300 0.244 0.000 1.209 263 P CA -0.145 63.066 63.100 0.185 0.000 0.776 263 P CB 1.141 32.879 31.700 0.062 0.000 0.876 264 R N 1.920 122.543 120.500 0.205 0.000 2.120 264 R HA -0.011 4.344 4.340 0.025 0.000 0.234 264 R C 0.348 176.801 176.300 0.254 0.000 1.123 264 R CA 1.496 57.762 56.100 0.277 0.000 0.975 264 R CB -0.437 29.992 30.300 0.215 0.000 0.866 264 R HN 0.579 nan 8.270 nan 0.000 0.446 265 S N -2.939 112.697 115.700 -0.106 0.000 2.586 265 S HA 0.160 4.644 4.470 0.025 0.000 0.277 265 S C -0.302 173.990 174.600 -0.514 0.000 1.131 265 S CA -0.841 57.133 58.200 -0.378 0.000 0.848 265 S CB -0.159 62.963 63.200 -0.130 0.000 1.091 265 S HN 0.091 nan 8.310 nan 0.000 0.453 266 Y N 2.429 122.358 120.300 -0.618 0.000 2.384 266 Y HA 0.030 4.594 4.550 0.024 0.000 0.289 266 Y C 2.364 177.913 175.900 -0.585 0.000 1.152 266 Y CA 1.267 58.876 58.100 -0.818 0.000 1.258 266 Y CB -0.368 37.180 38.460 -1.519 0.000 0.979 266 Y HN 0.584 nan 8.280 nan 0.000 0.549 267 R N -0.468 119.908 120.500 -0.207 0.000 2.237 267 R HA -0.037 4.318 4.340 0.025 0.000 0.219 267 R C 0.973 177.242 176.300 -0.051 0.000 1.080 267 R CA 1.496 57.531 56.100 -0.108 0.000 0.995 267 R CB -0.395 29.832 30.300 -0.123 0.000 0.875 267 R HN 0.343 nan 8.270 nan 0.000 0.462 268 T N -2.007 112.530 114.554 -0.029 0.000 3.355 268 T HA 0.357 4.722 4.350 0.025 0.000 0.276 268 T C 0.107 174.851 174.700 0.072 0.000 1.003 268 T CA -0.716 61.395 62.100 0.019 0.000 0.943 268 T CB -0.053 68.812 68.868 -0.006 0.000 1.158 268 T HN 0.072 nan 8.240 nan 0.000 0.513 269 M N -1.143 118.540 119.600 0.138 0.000 2.619 269 M HA 0.739 5.234 4.480 0.025 0.000 0.297 269 M C -1.081 175.400 176.300 0.302 0.000 1.229 269 M CA -0.906 54.518 55.300 0.207 0.000 0.860 269 M CB 2.061 34.780 32.600 0.199 0.000 1.741 269 M HN -0.147 nan 8.290 nan 0.000 0.462 270 E N 0.422 120.799 120.200 0.295 0.000 2.349 270 E HA 0.600 4.965 4.350 0.025 0.000 0.262 270 E C -0.245 176.435 176.600 0.134 0.000 1.088 270 E CA -0.418 56.091 56.400 0.182 0.000 0.899 270 E CB 1.546 31.294 29.700 0.080 0.000 1.044 270 E HN 0.843 nan 8.360 nan 0.000 0.420 271 G N 0.884 109.610 108.800 -0.124 0.000 2.481 271 G HA2 0.634 4.609 3.960 0.025 0.000 0.315 271 G HA3 0.634 4.609 3.960 0.025 0.000 0.315 271 G C -1.396 173.079 174.900 -0.709 0.000 1.231 271 G CA -0.450 44.542 45.100 -0.180 0.000 0.968 271 G HN 0.296 nan 8.290 nan 0.000 0.482 272 F N -0.754 119.141 119.950 -0.091 0.000 2.613 272 F HA 0.521 5.062 4.527 0.024 0.000 0.310 272 F C 0.995 176.700 175.800 -0.159 0.000 1.085 272 F CA -0.616 57.246 58.000 -0.230 0.000 0.945 272 F CB 2.556 41.377 39.000 -0.298 0.000 1.298 272 F HN 0.592 nan 8.300 nan 0.000 0.455 273 G N -0.655 108.195 108.800 0.083 0.000 3.042 273 G HA2 0.232 4.206 3.960 0.025 0.000 0.212 273 G HA3 0.232 4.206 3.960 0.025 0.000 0.212 273 G C 0.647 175.619 174.900 0.121 0.000 1.166 273 G CA 0.571 45.774 45.100 0.171 0.000 0.767 273 G HN 1.008 nan 8.290 nan 0.000 0.546 274 C N -1.221 118.040 119.300 -0.065 0.000 5.885 274 C HA -0.162 4.312 4.460 0.025 0.000 0.327 274 C C 0.711 175.421 174.990 -0.467 0.000 2.426 274 C CA 0.708 59.516 59.018 -0.350 0.000 2.190 274 C CB -1.988 25.437 27.740 -0.526 0.000 3.229 274 C HN 0.583 nan 8.230 nan 0.000 0.266 275 H N 0.100 119.197 119.070 0.046 0.000 2.731 275 H HA 0.473 5.044 4.556 0.024 0.000 0.368 275 H C -0.148 175.135 175.328 -0.076 0.000 1.168 275 H CA 0.034 56.026 56.048 -0.094 0.000 1.181 275 H CB 0.947 30.516 29.762 -0.322 0.000 1.743 275 H HN 0.282 nan 8.280 nan 0.000 0.547 276 T N 3.191 117.727 114.554 -0.029 0.000 2.817 276 T HA 0.162 4.526 4.350 0.025 0.000 0.295 276 T C 0.250 174.884 174.700 -0.111 0.000 0.958 276 T CA 0.368 62.431 62.100 -0.062 0.000 1.157 276 T CB -0.444 68.335 68.868 -0.148 0.000 0.898 276 T HN 0.200 nan 8.240 nan 0.000 0.536 277 F N 1.421 121.316 119.950 -0.092 0.000 2.544 277 F HA 0.643 5.184 4.527 0.024 0.000 0.378 277 F C 1.129 176.884 175.800 -0.075 0.000 1.112 277 F CA -1.319 56.655 58.000 -0.043 0.000 1.115 277 F CB 1.283 40.238 39.000 -0.076 0.000 1.436 277 F HN 0.195 nan 8.300 nan 0.000 0.496 278 R N 0.561 121.119 120.500 0.096 0.000 2.670 278 R HA 0.625 4.980 4.340 0.025 0.000 0.289 278 R C -1.551 174.642 176.300 -0.178 0.000 0.965 278 R CA -0.861 55.163 56.100 -0.128 0.000 0.899 278 R CB 1.902 32.058 30.300 -0.240 0.000 1.173 278 R HN 0.424 nan 8.270 nan 0.000 0.456 279 L N 3.353 124.421 121.223 -0.257 0.000 2.343 279 L HA 0.539 4.893 4.340 0.025 0.000 0.275 279 L C -0.380 176.337 176.870 -0.255 0.000 1.056 279 L CA -0.908 53.788 54.840 -0.241 0.000 0.804 279 L CB 1.179 43.101 42.059 -0.228 0.000 1.203 279 L HN 0.366 nan 8.230 nan 0.000 0.440 280 I N 2.541 122.985 120.570 -0.210 0.000 2.447 280 I HA 0.264 4.449 4.170 0.025 0.000 0.287 280 I C -0.363 175.669 176.117 -0.143 0.000 1.023 280 I CA -0.679 60.501 61.300 -0.200 0.000 1.083 280 I CB 1.464 39.354 38.000 -0.183 0.000 1.245 280 I HN 0.641 nan 8.210 nan 0.000 0.434 281 N N 4.890 123.519 118.700 -0.119 0.000 2.448 281 N HA 0.397 5.152 4.740 0.025 0.000 0.274 281 N C 0.830 176.299 175.510 -0.068 0.000 1.239 281 N CA -0.341 52.658 53.050 -0.085 0.000 0.982 281 N CB 0.689 39.133 38.487 -0.071 0.000 1.199 281 N HN 0.511 nan 8.380 nan 0.000 0.576 282 A N -0.519 122.270 122.820 -0.052 0.000 2.019 282 A HA -0.109 4.226 4.320 0.025 0.000 0.219 282 A C 1.459 179.022 177.584 -0.035 0.000 1.164 282 A CA 1.329 53.341 52.037 -0.042 0.000 0.644 282 A CB -0.730 18.250 19.000 -0.032 0.000 0.805 282 A HN 0.757 nan 8.150 nan 0.000 0.449 283 E N -1.441 118.740 120.200 -0.032 0.000 2.502 283 E HA 0.292 4.657 4.350 0.025 0.000 0.194 283 E C 1.189 177.779 176.600 -0.017 0.000 1.062 283 E CA 0.747 57.133 56.400 -0.023 0.000 0.867 283 E CB -0.065 29.623 29.700 -0.021 0.000 0.888 283 E HN 0.725 nan 8.360 nan 0.000 0.510 284 G N 1.258 110.045 108.800 -0.021 0.000 2.141 284 G HA2 -0.353 3.622 3.960 0.025 0.000 0.242 284 G HA3 -0.353 3.622 3.960 0.025 0.000 0.242 284 G C 0.221 175.140 174.900 0.032 0.000 0.982 284 G CA 0.286 45.392 45.100 0.010 0.000 0.662 284 G HN 0.260 nan 8.290 nan 0.000 0.527 285 K N 0.690 121.070 120.400 -0.033 0.000 2.276 285 K HA 0.684 5.018 4.320 0.025 0.000 0.283 285 K C 0.574 177.044 176.600 -0.216 0.000 1.044 285 K CA 0.151 56.394 56.287 -0.074 0.000 0.944 285 K CB 0.643 33.099 32.500 -0.073 0.000 1.012 285 K HN 0.583 nan 8.250 nan 0.000 0.472 286 A N 3.294 125.872 122.820 -0.403 0.000 2.301 286 A HA 0.442 4.777 4.320 0.025 0.000 0.312 286 A C -0.793 176.470 177.584 -0.534 0.000 1.182 286 A CA -0.505 51.126 52.037 -0.676 0.000 0.826 286 A CB 1.140 19.298 19.000 -1.404 0.000 1.134 286 A HN 0.723 nan 8.150 nan 0.000 0.501 287 T N 2.320 116.596 114.554 -0.464 0.000 2.848 287 T HA 0.533 4.898 4.350 0.025 0.000 0.285 287 T C -0.661 173.822 174.700 -0.362 0.000 0.995 287 T CA -0.087 61.798 62.100 -0.359 0.000 0.970 287 T CB 0.458 69.212 68.868 -0.191 0.000 0.976 287 T HN 0.343 nan 8.240 nan 0.000 0.441 288 F N 2.048 121.902 119.950 -0.160 0.000 2.429 288 F HA 0.539 5.081 4.527 0.024 0.000 0.348 288 F C 0.571 176.253 175.800 -0.197 0.000 1.109 288 F CA -0.412 57.488 58.000 -0.167 0.000 1.232 288 F CB 0.745 39.666 39.000 -0.132 0.000 1.157 288 F HN 0.203 nan 8.300 nan 0.000 0.564 289 V N 4.585 124.461 119.914 -0.063 0.000 2.888 289 V HA 0.582 4.717 4.120 0.025 0.000 0.309 289 V C -1.010 174.848 176.094 -0.394 0.000 1.114 289 V CA -0.759 61.352 62.300 -0.314 0.000 0.940 289 V CB 2.042 33.474 31.823 -0.652 0.000 1.021 289 V HN 0.765 nan 8.190 nan 0.000 0.426 290 R N 4.709 125.028 120.500 -0.302 0.000 2.562 290 R HA 0.567 4.922 4.340 0.025 0.000 0.298 290 R C -1.601 174.583 176.300 -0.194 0.000 0.961 290 R CA -0.470 55.474 56.100 -0.260 0.000 0.881 290 R CB 2.009 32.289 30.300 -0.033 0.000 1.159 290 R HN 0.594 nan 8.270 nan 0.000 0.450 291 F N 1.929 121.895 119.950 0.026 0.000 2.399 291 F HA 0.372 4.914 4.527 0.025 0.000 0.334 291 F C 0.943 176.644 175.800 -0.164 0.000 1.097 291 F CA -0.169 57.816 58.000 -0.025 0.000 1.076 291 F CB 0.921 39.802 39.000 -0.199 0.000 1.162 291 F HN 0.199 nan 8.300 nan 0.000 0.495 292 H N 0.858 119.924 119.070 -0.006 0.000 2.768 292 H HA 0.247 4.818 4.556 0.025 0.000 0.371 292 H C -1.547 173.551 175.328 -0.383 0.000 1.151 292 H CA -0.944 54.994 56.048 -0.184 0.000 1.165 292 H CB 1.942 31.686 29.762 -0.030 0.000 1.722 292 H HN 0.679 nan 8.280 nan 0.000 0.543 293 W N 2.423 123.612 121.300 -0.185 0.000 2.538 293 W HA 0.313 4.988 4.660 0.024 0.000 0.322 293 W C -0.070 176.482 176.519 0.055 0.000 1.028 293 W CA -0.769 56.533 57.345 -0.072 0.000 1.228 293 W CB 1.755 31.015 29.460 -0.333 0.000 1.356 293 W HN 0.297 nan 8.180 nan 0.000 0.452 294 K N 5.731 126.405 120.400 0.457 0.000 2.183 294 K HA 0.395 4.729 4.320 0.025 0.000 0.274 294 K C -2.380 174.455 176.600 0.393 0.000 1.009 294 K CA -1.805 54.686 56.287 0.341 0.000 0.888 294 K CB 1.397 34.046 32.500 0.249 0.000 1.078 294 K HN 0.050 nan 8.250 nan 0.000 0.459 295 P HA 0.086 nan 4.420 nan 0.000 0.287 295 P C 0.283 177.592 177.300 0.015 0.000 1.307 295 P CA -0.199 62.979 63.100 0.131 0.000 0.777 295 P CB 0.875 32.677 31.700 0.170 0.000 0.883 296 L N 2.750 123.923 121.223 -0.083 0.000 2.465 296 L HA -0.062 4.293 4.340 0.025 0.000 0.224 296 L C 2.157 179.008 176.870 -0.033 0.000 1.145 296 L CA 1.005 55.832 54.840 -0.022 0.000 0.834 296 L CB -0.536 41.517 42.059 -0.009 0.000 0.944 296 L HN 0.355 nan 8.230 nan 0.000 0.451 297 A N -0.068 122.706 122.820 -0.076 0.000 2.251 297 A HA 0.432 4.766 4.320 0.025 0.000 0.209 297 A C 1.205 178.788 177.584 -0.001 0.000 1.187 297 A CA 0.648 52.659 52.037 -0.044 0.000 0.823 297 A CB -0.264 18.691 19.000 -0.075 0.000 0.846 297 A HN 0.442 nan 8.150 nan 0.000 0.486 298 G N -0.688 108.125 108.800 0.022 0.000 2.663 298 G HA2 -0.084 3.891 3.960 0.025 0.000 0.686 298 G HA3 -0.084 3.891 3.960 0.025 0.000 0.686 298 G C -0.755 174.178 174.900 0.055 0.000 1.288 298 G CA -0.563 44.568 45.100 0.052 0.000 0.836 298 G HN 0.414 nan 8.290 nan 0.000 0.584 299 K N 0.137 120.575 120.400 0.064 0.000 2.185 299 K HA 0.747 5.081 4.320 0.025 0.000 0.269 299 K C 0.199 176.799 176.600 0.001 0.000 0.987 299 K CA 0.140 56.450 56.287 0.038 0.000 0.865 299 K CB 1.854 34.365 32.500 0.018 0.000 1.090 299 K HN 1.393 nan 8.250 nan 0.000 0.450 300 A N 1.700 124.506 122.820 -0.024 0.000 2.547 300 A HA 0.654 4.989 4.320 0.025 0.000 0.297 300 A C -1.133 176.490 177.584 0.065 0.000 1.056 300 A CA -0.668 51.306 52.037 -0.105 0.000 0.688 300 A CB 1.818 20.548 19.000 -0.450 0.000 1.282 300 A HN 0.514 nan 8.150 nan 0.000 0.400 301 S N 0.293 116.184 115.700 0.318 0.000 2.632 301 S HA 0.733 5.218 4.470 0.025 0.000 0.289 301 S C -0.149 174.773 174.600 0.536 0.000 1.115 301 S CA -0.602 57.836 58.200 0.395 0.000 0.889 301 S CB 1.184 64.603 63.200 0.366 0.000 1.116 301 S HN 0.647 nan 8.310 nan 0.000 0.486 302 L N 1.398 122.826 121.223 0.341 0.000 2.482 302 L HA 0.521 4.876 4.340 0.025 0.000 0.242 302 L C 0.209 177.203 176.870 0.207 0.000 1.210 302 L CA -0.790 54.173 54.840 0.204 0.000 0.819 302 L CB 0.060 42.139 42.059 0.034 0.000 1.203 302 L HN 0.486 nan 8.230 nan 0.000 0.495 303 V N -2.943 116.990 119.914 0.032 0.000 2.850 303 V HA 0.175 4.309 4.120 0.025 0.000 0.315 303 V C 0.730 176.768 176.094 -0.094 0.000 1.064 303 V CA -0.754 61.533 62.300 -0.021 0.000 0.979 303 V CB 1.576 33.358 31.823 -0.068 0.000 1.039 303 V HN 0.943 nan 8.190 nan 0.000 0.452 304 W N 1.677 122.842 121.300 -0.225 0.000 2.333 304 W HA -0.228 4.447 4.660 0.024 0.000 0.316 304 W C 1.837 178.194 176.519 -0.270 0.000 1.215 304 W CA 2.592 59.796 57.345 -0.234 0.000 1.278 304 W CB -0.129 29.177 29.460 -0.257 0.000 1.154 304 W HN 1.005 nan 8.180 nan 0.000 0.486 305 D N 0.202 120.299 120.400 -0.504 0.000 2.149 305 D HA -0.286 4.369 4.640 0.025 0.000 0.198 305 D C 2.136 178.069 176.300 -0.611 0.000 0.990 305 D CA 2.090 55.760 54.000 -0.551 0.000 0.839 305 D CB -0.490 40.247 40.800 -0.104 0.000 0.948 305 D HN 0.365 nan 8.370 nan 0.000 0.460 306 E N -0.367 119.356 120.200 -0.795 0.000 2.051 306 E HA -0.215 4.149 4.350 0.025 0.000 0.192 306 E C 2.024 178.266 176.600 -0.598 0.000 0.991 306 E CA 1.106 56.970 56.400 -0.894 0.000 0.799 306 E CB -0.234 28.818 29.700 -1.080 0.000 0.748 306 E HN 0.320 nan 8.360 nan 0.000 0.449 307 A N 1.131 123.620 122.820 -0.552 0.000 1.877 307 A HA -0.261 4.073 4.320 0.025 0.000 0.216 307 A C 2.185 179.425 177.584 -0.574 0.000 1.186 307 A CA 1.819 53.584 52.037 -0.454 0.000 0.620 307 A CB -0.720 18.130 19.000 -0.251 0.000 0.822 307 A HN 0.438 nan 8.150 nan 0.000 0.443 308 Q N -0.541 118.685 119.800 -0.956 0.000 2.050 308 Q HA -0.204 4.151 4.340 0.025 0.000 0.202 308 Q C 2.210 177.917 176.000 -0.487 0.000 0.980 308 Q CA 1.908 57.183 55.803 -0.881 0.000 0.840 308 Q CB -0.162 27.772 28.738 -1.341 0.000 0.898 308 Q HN 0.657 nan 8.270 nan 0.000 0.424 309 K N 0.036 120.172 120.400 -0.441 0.000 2.097 309 K HA -0.163 4.172 4.320 0.025 0.000 0.206 309 K C 2.094 178.546 176.600 -0.246 0.000 1.049 309 K CA 0.837 56.962 56.287 -0.270 0.000 0.933 309 K CB -0.098 32.289 32.500 -0.188 0.000 0.717 309 K HN 0.174 nan 8.250 nan 0.000 0.442 310 L N 1.392 122.424 121.223 -0.318 0.000 2.131 310 L HA -0.153 4.201 4.340 0.025 0.000 0.210 310 L C 2.217 178.948 176.870 -0.231 0.000 1.092 310 L CA 2.220 56.873 54.840 -0.312 0.000 0.759 310 L CB -0.937 40.845 42.059 -0.462 0.000 0.903 310 L HN 0.333 nan 8.230 nan 0.000 0.435 311 T N -4.240 110.182 114.554 -0.220 0.000 2.849 311 T HA -0.086 4.279 4.350 0.025 0.000 0.270 311 T C 1.844 176.481 174.700 -0.105 0.000 1.066 311 T CA 1.049 63.065 62.100 -0.141 0.000 1.130 311 T CB -0.996 67.802 68.868 -0.118 0.000 0.864 311 T HN 0.397 nan 8.240 nan 0.000 0.481 312 G N 1.021 109.752 108.800 -0.116 0.000 2.437 312 G HA2 0.008 3.983 3.960 0.025 0.000 0.212 312 G HA3 0.008 3.983 3.960 0.025 0.000 0.212 312 G C 1.908 176.766 174.900 -0.070 0.000 1.174 312 G CA -0.259 44.792 45.100 -0.083 0.000 0.811 312 G HN 0.305 nan 8.290 nan 0.000 0.537 313 R N 0.257 120.706 120.500 -0.086 0.000 2.115 313 R HA 0.042 4.397 4.340 0.025 0.000 0.226 313 R C -0.125 176.152 176.300 -0.038 0.000 1.100 313 R CA 0.817 56.880 56.100 -0.060 0.000 0.980 313 R CB -0.155 30.100 30.300 -0.074 0.000 0.875 313 R HN 0.339 nan 8.270 nan 0.000 0.445 314 D N -0.499 119.873 120.400 -0.047 0.000 2.527 314 D HA 0.128 4.783 4.640 0.025 0.000 0.242 314 D C -2.099 174.208 176.300 0.011 0.000 1.285 314 D CA -1.717 52.291 54.000 0.014 0.000 0.886 314 D CB 1.224 42.085 40.800 0.102 0.000 1.402 314 D HN -0.132 nan 8.370 nan 0.000 0.528 315 P HA -0.036 nan 4.420 nan 0.000 0.226 315 P C 0.126 177.434 177.300 0.014 0.000 1.146 315 P CA 0.688 63.778 63.100 -0.016 0.000 0.773 315 P CB 0.476 32.163 31.700 -0.021 0.000 0.772 316 D N -1.466 118.954 120.400 0.033 0.000 2.358 316 D HA 0.055 4.710 4.640 0.025 0.000 0.224 316 D C 1.279 177.621 176.300 0.069 0.000 1.123 316 D CA -0.356 53.669 54.000 0.042 0.000 0.833 316 D CB -0.575 40.227 40.800 0.003 0.000 0.946 316 D HN 0.150 nan 8.370 nan 0.000 0.505 317 F N 1.262 121.156 119.950 -0.094 0.000 2.126 317 F HA -0.235 4.306 4.527 0.024 0.000 0.299 317 F C 2.046 177.822 175.800 -0.039 0.000 1.096 317 F CA 1.850 59.791 58.000 -0.098 0.000 1.255 317 F CB 0.049 38.938 39.000 -0.185 0.000 0.997 317 F HN 0.099 nan 8.300 nan 0.000 0.479 318 H N -1.235 117.768 119.070 -0.112 0.000 2.403 318 H HA -0.053 4.518 4.556 0.024 0.000 0.298 318 H C 2.362 177.592 175.328 -0.162 0.000 1.059 318 H CA 0.800 56.632 56.048 -0.361 0.000 1.363 318 H CB -0.083 29.295 29.762 -0.639 0.000 1.410 318 H HN 0.172 nan 8.280 nan 0.000 0.528 319 R N 1.256 121.858 120.500 0.169 0.000 2.081 319 R HA -0.126 4.229 4.340 0.025 0.000 0.235 319 R C 2.418 178.829 176.300 0.184 0.000 1.131 319 R CA 1.239 57.496 56.100 0.261 0.000 0.960 319 R CB -0.005 30.428 30.300 0.222 0.000 0.856 319 R HN 0.195 nan 8.270 nan 0.000 0.436 320 R N 0.365 120.890 120.500 0.041 0.000 2.070 320 R HA -0.142 4.212 4.340 0.025 0.000 0.233 320 R C 2.181 178.472 176.300 -0.015 0.000 1.137 320 R CA 1.683 57.782 56.100 -0.001 0.000 0.945 320 R CB -0.256 30.001 30.300 -0.072 0.000 0.845 320 R HN 0.255 nan 8.270 nan 0.000 0.430 321 E N 0.662 120.738 120.200 -0.208 0.000 2.077 321 E HA -0.213 4.151 4.350 0.025 0.000 0.193 321 E C 2.021 178.589 176.600 -0.053 0.000 0.989 321 E CA 1.186 57.444 56.400 -0.237 0.000 0.800 321 E CB -0.089 29.290 29.700 -0.536 0.000 0.746 321 E HN 0.247 nan 8.360 nan 0.000 0.452 322 L N 0.841 122.080 121.223 0.027 0.000 2.017 322 L HA -0.159 4.196 4.340 0.025 0.000 0.208 322 L C 2.244 179.218 176.870 0.173 0.000 1.073 322 L CA 1.862 56.770 54.840 0.114 0.000 0.745 322 L CB -0.934 41.260 42.059 0.226 0.000 0.894 322 L HN 0.320 nan 8.230 nan 0.000 0.432 323 W N 0.921 122.258 121.300 0.061 0.000 2.335 323 W HA -0.226 4.449 4.660 0.024 0.000 0.311 323 W C 2.194 178.743 176.519 0.050 0.000 1.213 323 W CA 2.246 59.638 57.345 0.078 0.000 1.274 323 W CB -0.094 29.414 29.460 0.079 0.000 1.148 323 W HN 0.362 nan 8.180 nan 0.000 0.498 324 E N -0.137 120.236 120.200 0.288 0.000 2.208 324 E HA -0.107 4.258 4.350 0.025 0.000 0.193 324 E C 2.319 178.944 176.600 0.041 0.000 0.988 324 E CA 0.889 57.376 56.400 0.146 0.000 0.828 324 E CB -0.306 29.433 29.700 0.064 0.000 0.763 324 E HN 0.183 nan 8.360 nan 0.000 0.478 325 A N 1.407 124.250 122.820 0.039 0.000 1.873 325 A HA -0.159 4.176 4.320 0.025 0.000 0.215 325 A C 2.169 179.777 177.584 0.041 0.000 1.186 325 A CA 0.977 53.030 52.037 0.027 0.000 0.616 325 A CB -0.519 18.501 19.000 0.033 0.000 0.823 325 A HN 0.117 nan 8.150 nan 0.000 0.442 326 I N -0.318 120.297 120.570 0.075 0.000 2.226 326 I HA -0.255 3.930 4.170 0.025 0.000 0.245 326 I C 2.454 178.639 176.117 0.115 0.000 1.100 326 I CA 1.526 62.917 61.300 0.153 0.000 1.374 326 I CB -0.444 37.578 38.000 0.037 0.000 1.057 326 I HN 0.421 nan 8.210 nan 0.000 0.413 327 E N 0.798 121.011 120.200 0.023 0.000 2.153 327 E HA -0.194 4.171 4.350 0.025 0.000 0.194 327 E C 2.135 178.749 176.600 0.024 0.000 0.988 327 E CA 1.248 57.673 56.400 0.043 0.000 0.811 327 E CB -0.111 29.642 29.700 0.088 0.000 0.746 327 E HN 0.520 nan 8.360 nan 0.000 0.466 328 A N 0.072 122.882 122.820 -0.018 0.000 2.208 328 A HA 0.214 4.549 4.320 0.025 0.000 0.209 328 A C 1.818 179.330 177.584 -0.121 0.000 1.161 328 A CA 0.963 52.969 52.037 -0.051 0.000 0.782 328 A CB -0.109 18.845 19.000 -0.076 0.000 0.816 328 A HN 0.339 nan 8.150 nan 0.000 0.477 329 G N -0.439 108.199 108.800 -0.270 0.000 2.176 329 G HA2 -0.212 3.762 3.960 0.025 0.000 0.253 329 G HA3 -0.212 3.762 3.960 0.025 0.000 0.253 329 G C -0.148 174.222 174.900 -0.882 0.000 0.979 329 G CA 0.255 44.867 45.100 -0.814 0.000 0.641 329 G HN 0.458 nan 8.290 nan 0.000 0.530 330 D N 1.085 121.261 120.400 -0.374 0.000 2.801 330 D HA 0.261 4.916 4.640 0.025 0.000 0.232 330 D C 0.752 176.995 176.300 -0.095 0.000 1.128 330 D CA -0.066 53.816 54.000 -0.197 0.000 1.003 330 D CB -0.748 40.039 40.800 -0.021 0.000 1.110 330 D HN 0.435 nan 8.370 nan 0.000 0.477 331 F N 1.420 121.374 119.950 0.007 0.000 2.602 331 F HA 0.076 4.618 4.527 0.025 0.000 0.385 331 F C -1.339 174.434 175.800 -0.044 0.000 1.063 331 F CA -1.943 56.053 58.000 -0.007 0.000 1.233 331 F CB 0.013 39.021 39.000 0.012 0.000 1.067 331 F HN -0.081 nan 8.300 nan 0.000 0.564 332 P HA 0.010 nan 4.420 nan 0.000 0.263 332 P C -1.040 176.206 177.300 -0.090 0.000 1.195 332 P CA 0.470 63.560 63.100 -0.016 0.000 0.762 332 P CB 0.438 32.216 31.700 0.130 0.000 0.799 333 E N 2.264 122.266 120.200 -0.331 0.000 2.266 333 E HA 0.503 4.868 4.350 0.025 0.000 0.268 333 E C -1.110 175.182 176.600 -0.513 0.000 0.879 333 E CA -0.586 55.674 56.400 -0.232 0.000 0.762 333 E CB 1.590 31.245 29.700 -0.074 0.000 1.199 333 E HN 0.362 nan 8.360 nan 0.000 0.422 334 Y N 0.202 120.576 120.300 0.124 0.000 2.504 334 Y HA 0.233 4.797 4.550 0.025 0.000 0.344 334 Y C -0.409 175.724 175.900 0.390 0.000 1.023 334 Y CA -0.927 57.319 58.100 0.244 0.000 1.020 334 Y CB 2.072 40.633 38.460 0.168 0.000 1.282 334 Y HN 0.453 nan 8.280 nan 0.000 0.454 335 E N 2.726 123.260 120.200 0.557 0.000 2.156 335 E HA 0.406 4.771 4.350 0.025 0.000 0.279 335 E C -1.485 175.415 176.600 0.500 0.000 0.965 335 E CA -0.947 55.742 56.400 0.481 0.000 0.789 335 E CB 1.039 30.951 29.700 0.355 0.000 1.098 335 E HN 0.579 nan 8.360 nan 0.000 0.397 336 L N 4.314 125.751 121.223 0.357 0.000 2.367 336 L HA 0.509 4.864 4.340 0.025 0.000 0.275 336 L C -0.061 176.757 176.870 -0.087 0.000 1.129 336 L CA 0.605 55.356 54.840 -0.147 0.000 0.839 336 L CB 1.042 42.969 42.059 -0.220 0.000 1.133 336 L HN 0.586 nan 8.230 nan 0.000 0.453 337 G N 4.371 113.130 108.800 -0.068 0.000 2.612 337 G HA2 0.566 4.541 3.960 0.025 0.000 0.298 337 G HA3 0.566 4.541 3.960 0.025 0.000 0.298 337 G C -1.651 173.408 174.900 0.265 0.000 1.336 337 G CA -0.514 44.587 45.100 0.002 0.000 0.953 337 G HN 0.452 nan 8.290 nan 0.000 0.482 338 F N 0.268 120.250 119.950 0.053 0.000 2.507 338 F HA 0.379 4.920 4.527 0.024 0.000 0.325 338 F C 0.327 176.136 175.800 0.016 0.000 1.116 338 F CA -0.961 57.075 58.000 0.061 0.000 0.930 338 F CB 2.596 41.616 39.000 0.034 0.000 1.146 338 F HN 0.144 nan 8.300 nan 0.000 0.447 339 Q N 4.376 124.309 119.800 0.221 0.000 2.274 339 Q HA 0.498 4.852 4.340 0.025 0.000 0.256 339 Q C -1.041 175.007 176.000 0.080 0.000 0.927 339 Q CA -0.437 55.435 55.803 0.115 0.000 0.939 339 Q CB 2.154 30.963 28.738 0.117 0.000 1.201 339 Q HN 0.541 nan 8.270 nan 0.000 0.426 340 L N 4.431 125.708 121.223 0.090 0.000 2.341 340 L HA 0.596 4.950 4.340 0.025 0.000 0.278 340 L C -0.620 176.304 176.870 0.090 0.000 1.005 340 L CA -0.579 54.301 54.840 0.067 0.000 0.818 340 L CB 1.365 43.475 42.059 0.084 0.000 1.259 340 L HN 0.518 nan 8.230 nan 0.000 0.418 341 I N 4.263 124.902 120.570 0.115 0.000 2.478 341 I HA 0.354 4.539 4.170 0.025 0.000 0.287 341 I C -2.342 173.891 176.117 0.195 0.000 1.042 341 I CA -2.019 59.391 61.300 0.184 0.000 1.067 341 I CB 2.450 40.576 38.000 0.209 0.000 1.233 341 I HN 0.276 nan 8.210 nan 0.000 0.431 342 P HA 0.028 nan 4.420 nan 0.000 0.269 342 P C 0.671 178.028 177.300 0.096 0.000 1.209 342 P CA -0.021 63.114 63.100 0.058 0.000 0.776 342 P CB 0.819 32.550 31.700 0.052 0.000 0.876 343 E N 1.466 121.637 120.200 -0.048 0.000 2.114 343 E HA -0.298 4.066 4.350 0.025 0.000 0.199 343 E C 0.983 177.662 176.600 0.132 0.000 1.008 343 E CA 1.638 58.014 56.400 -0.040 0.000 0.810 343 E CB -0.021 29.591 29.700 -0.146 0.000 0.739 343 E HN 0.449 nan 8.360 nan 0.000 0.456 344 E N 0.459 120.713 120.200 0.090 0.000 2.333 344 E HA -0.135 4.230 4.350 0.025 0.000 0.198 344 E C 0.607 177.271 176.600 0.105 0.000 1.007 344 E CA 1.076 57.536 56.400 0.099 0.000 0.845 344 E CB 0.087 29.826 29.700 0.063 0.000 0.766 344 E HN 0.274 nan 8.360 nan 0.000 0.507 345 D N -0.177 120.291 120.400 0.113 0.000 2.402 345 D HA -0.006 4.649 4.640 0.025 0.000 0.216 345 D C 1.107 177.448 176.300 0.069 0.000 1.128 345 D CA 0.013 54.058 54.000 0.075 0.000 0.833 345 D CB 0.067 40.922 40.800 0.091 0.000 0.971 345 D HN 0.256 nan 8.370 nan 0.000 0.503 346 E N -0.139 120.059 120.200 -0.003 0.000 2.147 346 E HA -0.198 4.167 4.350 0.025 0.000 0.199 346 E C 0.440 176.750 176.600 -0.483 0.000 1.005 346 E CA 1.135 57.313 56.400 -0.371 0.000 0.810 346 E CB 0.024 29.314 29.700 -0.683 0.000 0.736 346 E HN 0.285 nan 8.360 nan 0.000 0.460 347 F N -0.714 119.247 119.950 0.017 0.000 2.654 347 F HA 0.282 4.823 4.527 0.025 0.000 0.303 347 F C 1.201 176.935 175.800 -0.109 0.000 1.099 347 F CA -0.364 57.618 58.000 -0.030 0.000 1.270 347 F CB 0.692 39.682 39.000 -0.016 0.000 1.024 347 F HN -0.195 nan 8.300 nan 0.000 0.548 348 K N 0.163 120.494 120.400 -0.114 0.000 2.417 348 K HA 0.161 4.496 4.320 0.025 0.000 0.196 348 K C -0.432 175.727 176.600 -0.736 0.000 1.023 348 K CA 0.256 56.297 56.287 -0.409 0.000 1.122 348 K CB 0.222 32.413 32.500 -0.516 0.000 0.850 348 K HN 0.124 nan 8.250 nan 0.000 0.521 349 F N -0.068 119.724 119.950 -0.265 0.000 2.541 349 F HA 0.176 4.718 4.527 0.025 0.000 0.331 349 F C 1.244 176.833 175.800 -0.351 0.000 1.057 349 F CA -1.081 56.651 58.000 -0.447 0.000 0.975 349 F CB 0.934 39.275 39.000 -1.098 0.000 1.246 349 F HN -0.202 nan 8.300 nan 0.000 0.484 350 D N 0.563 120.952 120.400 -0.020 0.000 2.264 350 D HA -0.069 4.586 4.640 0.025 0.000 0.208 350 D C 0.007 176.380 176.300 0.123 0.000 0.966 350 D CA 1.297 55.356 54.000 0.097 0.000 0.864 350 D CB -0.174 40.769 40.800 0.238 0.000 0.933 350 D HN 0.265 nan 8.370 nan 0.000 0.499 351 F N -0.699 119.332 119.950 0.135 0.000 2.541 351 F HA 0.479 5.021 4.527 0.024 0.000 0.331 351 F C 0.095 175.880 175.800 -0.024 0.000 1.057 351 F CA -1.607 56.389 58.000 -0.007 0.000 0.975 351 F CB 0.765 39.707 39.000 -0.096 0.000 1.246 351 F HN -0.394 nan 8.300 nan 0.000 0.484 352 D N 1.766 122.170 120.400 0.006 0.000 2.264 352 D HA 0.174 4.828 4.640 0.025 0.000 0.250 352 D C 1.033 177.267 176.300 -0.110 0.000 1.113 352 D CA -0.087 53.866 54.000 -0.078 0.000 0.871 352 D CB 1.446 42.216 40.800 -0.051 0.000 1.167 352 D HN 0.753 nan 8.370 nan 0.000 0.447 353 L N 3.369 124.466 121.223 -0.210 0.000 2.261 353 L HA -0.151 4.204 4.340 0.025 0.000 0.216 353 L C 1.899 178.632 176.870 -0.228 0.000 1.114 353 L CA 0.764 55.456 54.840 -0.246 0.000 0.777 353 L CB -0.097 41.662 42.059 -0.500 0.000 0.910 353 L HN 0.464 nan 8.230 nan 0.000 0.440 354 L N -1.078 120.029 121.223 -0.194 0.000 2.592 354 L HA 0.083 4.438 4.340 0.025 0.000 0.227 354 L C 0.402 177.191 176.870 -0.136 0.000 1.127 354 L CA -0.186 54.605 54.840 -0.083 0.000 0.884 354 L CB -0.215 41.905 42.059 0.102 0.000 1.065 354 L HN 0.073 nan 8.230 nan 0.000 0.457 355 D N 1.856 121.951 120.400 -0.508 0.000 2.347 355 D HA 0.124 4.779 4.640 0.025 0.000 0.235 355 D C -1.603 174.479 176.300 -0.363 0.000 1.149 355 D CA -2.234 51.220 54.000 -0.910 0.000 0.850 355 D CB 1.666 41.726 40.800 -1.234 0.000 1.061 355 D HN -0.069 nan 8.370 nan 0.000 0.487 356 P HA -0.030 nan 4.420 nan 0.000 0.245 356 P C 0.880 178.087 177.300 -0.156 0.000 1.212 356 P CA 0.496 63.531 63.100 -0.109 0.000 0.774 356 P CB -0.004 31.720 31.700 0.041 0.000 0.999 357 T N -4.001 110.456 114.554 -0.162 0.000 3.129 357 T HA 0.109 4.474 4.350 0.025 0.000 0.251 357 T C 0.782 175.394 174.700 -0.147 0.000 1.117 357 T CA 0.070 62.079 62.100 -0.151 0.000 1.034 357 T CB -0.268 68.561 68.868 -0.065 0.000 0.968 357 T HN -0.109 nan 8.240 nan 0.000 0.526 358 K N 1.984 122.204 120.400 -0.300 0.000 2.182 358 K HA 0.569 4.904 4.320 0.025 0.000 0.262 358 K C -0.283 176.133 176.600 -0.306 0.000 0.957 358 K CA -0.852 55.134 56.287 -0.502 0.000 0.842 358 K CB 2.098 34.178 32.500 -0.701 0.000 1.099 358 K HN 0.288 nan 8.250 nan 0.000 0.438 359 L N -0.473 120.709 121.223 -0.069 0.000 2.358 359 L HA 0.646 5.000 4.340 0.025 0.000 0.268 359 L C -0.010 176.662 176.870 -0.330 0.000 1.032 359 L CA -0.526 54.218 54.840 -0.159 0.000 0.805 359 L CB 0.308 42.355 42.059 -0.021 0.000 1.253 359 L HN 0.440 nan 8.230 nan 0.000 0.452 360 I N 1.524 121.997 120.570 -0.163 0.000 2.306 360 I HA 0.360 4.545 4.170 0.025 0.000 0.288 360 I C -2.121 174.010 176.117 0.022 0.000 1.036 360 I CA -1.721 59.534 61.300 -0.076 0.000 1.221 360 I CB 1.102 39.087 38.000 -0.025 0.000 1.385 360 I HN 0.459 nan 8.210 nan 0.000 0.472 361 P HA 0.026 nan 4.420 nan 0.000 0.265 361 P C 0.346 177.713 177.300 0.112 0.000 1.193 361 P CA 0.066 63.213 63.100 0.078 0.000 0.765 361 P CB 0.606 32.346 31.700 0.066 0.000 0.823 362 E N 1.739 122.010 120.200 0.118 0.000 2.204 362 E HA -0.202 4.162 4.350 0.025 0.000 0.195 362 E C 1.398 178.052 176.600 0.090 0.000 0.990 362 E CA 0.831 57.290 56.400 0.097 0.000 0.821 362 E CB -0.023 29.734 29.700 0.094 0.000 0.750 362 E HN 0.524 nan 8.360 nan 0.000 0.477 363 E N 0.440 120.694 120.200 0.091 0.000 2.153 363 E HA -0.146 4.219 4.350 0.025 0.000 0.194 363 E C 2.107 178.773 176.600 0.110 0.000 0.988 363 E CA 0.734 57.185 56.400 0.085 0.000 0.811 363 E CB 0.041 29.785 29.700 0.072 0.000 0.746 363 E HN 0.375 nan 8.360 nan 0.000 0.466 364 L N -0.262 121.051 121.223 0.150 0.000 2.127 364 L HA 0.027 4.382 4.340 0.025 0.000 0.203 364 L C 0.727 177.723 176.870 0.209 0.000 1.080 364 L CA 0.542 55.511 54.840 0.215 0.000 0.768 364 L CB 0.297 42.564 42.059 0.347 0.000 0.924 364 L HN -0.190 nan 8.230 nan 0.000 0.444 365 V N 0.714 120.728 119.914 0.166 0.000 2.445 365 V HA 0.313 4.448 4.120 0.025 0.000 0.283 365 V C -2.431 173.715 176.094 0.086 0.000 1.014 365 V CA -1.420 60.962 62.300 0.137 0.000 0.852 365 V CB 1.404 33.301 31.823 0.125 0.000 1.021 365 V HN -0.034 nan 8.190 nan 0.000 0.435 366 P HA 0.188 nan 4.420 nan 0.000 0.272 366 P C -0.322 176.981 177.300 0.006 0.000 1.230 366 P CA -0.121 63.002 63.100 0.037 0.000 0.788 366 P CB 0.711 32.436 31.700 0.042 0.000 0.949 367 V N 2.874 122.756 119.914 -0.052 0.000 2.488 367 V HA 0.077 4.211 4.120 0.025 0.000 0.277 367 V C 0.594 176.682 176.094 -0.011 0.000 1.046 367 V CA 0.049 62.291 62.300 -0.097 0.000 0.986 367 V CB -0.024 31.645 31.823 -0.257 0.000 0.989 367 V HN 0.454 nan 8.190 nan 0.000 0.475 368 Q N 4.877 124.693 119.800 0.028 0.000 2.274 368 Q HA 0.397 4.752 4.340 0.025 0.000 0.256 368 Q C -0.229 175.771 176.000 -0.001 0.000 0.927 368 Q CA -0.529 55.292 55.803 0.029 0.000 0.939 368 Q CB 1.529 30.299 28.738 0.054 0.000 1.201 368 Q HN 0.617 nan 8.270 nan 0.000 0.426 369 R N 1.300 121.824 120.500 0.040 0.000 2.537 369 R HA 0.054 4.408 4.340 0.025 0.000 0.280 369 R C 0.374 176.719 176.300 0.075 0.000 1.058 369 R CA -0.081 56.089 56.100 0.117 0.000 1.057 369 R CB 0.521 30.951 30.300 0.218 0.000 0.973 369 R HN 0.438 nan 8.270 nan 0.000 0.438 370 V N 0.922 120.798 119.914 -0.062 0.000 3.137 370 V HA 0.324 4.458 4.120 0.025 0.000 0.236 370 V C 0.751 176.615 176.094 -0.384 0.000 1.260 370 V CA 1.046 63.183 62.300 -0.271 0.000 1.244 370 V CB 1.002 32.410 31.823 -0.691 0.000 1.016 370 V HN 1.028 nan 8.190 nan 0.000 0.477 371 G N -0.301 108.158 108.800 -0.567 0.000 2.428 371 G HA2 0.471 4.446 3.960 0.025 0.000 0.304 371 G HA3 0.471 4.446 3.960 0.025 0.000 0.304 371 G C -1.878 172.679 174.900 -0.572 0.000 1.303 371 G CA -0.508 43.913 45.100 -1.131 0.000 0.825 371 G HN 0.051 nan 8.290 nan 0.000 0.484 372 K N -0.239 119.838 120.400 -0.538 0.000 2.397 372 K HA 0.690 5.025 4.320 0.025 0.000 0.253 372 K C -0.915 175.722 176.600 0.061 0.000 0.932 372 K CA -0.758 55.508 56.287 -0.035 0.000 0.795 372 K CB 1.992 34.514 32.500 0.037 0.000 1.159 372 K HN 0.610 nan 8.250 nan 0.000 0.424 373 M N 4.688 124.465 119.600 0.296 0.000 2.364 373 M HA 0.410 4.905 4.480 0.025 0.000 0.334 373 M C -1.713 174.561 176.300 -0.043 0.000 1.107 373 M CA -0.752 54.647 55.300 0.164 0.000 0.988 373 M CB 1.681 34.418 32.600 0.228 0.000 1.673 373 M HN 0.338 nan 8.290 nan 0.000 0.441 374 V N 6.228 125.941 119.914 -0.335 0.000 2.487 374 V HA 0.442 4.577 4.120 0.025 0.000 0.298 374 V C -0.566 175.388 176.094 -0.233 0.000 1.028 374 V CA -0.722 61.409 62.300 -0.282 0.000 0.860 374 V CB 1.859 33.394 31.823 -0.480 0.000 0.991 374 V HN 0.811 nan 8.190 nan 0.000 0.427 375 L N 5.583 126.759 121.223 -0.080 0.000 2.255 375 L HA 0.493 4.848 4.340 0.025 0.000 0.289 375 L C 0.461 177.242 176.870 -0.150 0.000 1.046 375 L CA -0.289 54.508 54.840 -0.072 0.000 0.816 375 L CB 0.938 43.008 42.059 0.017 0.000 1.197 375 L HN 0.869 nan 8.230 nan 0.000 0.427 376 N N 2.687 121.218 118.700 -0.282 0.000 2.194 376 N HA 0.135 4.890 4.740 0.025 0.000 0.231 376 N C -0.058 175.269 175.510 -0.306 0.000 1.247 376 N CA -0.395 52.248 53.050 -0.679 0.000 0.884 376 N CB 0.800 38.568 38.487 -1.198 0.000 1.146 376 N HN 0.479 nan 8.380 nan 0.000 0.516 377 R N 0.254 120.682 120.500 -0.121 0.000 2.536 377 R HA 0.293 4.648 4.340 0.025 0.000 0.269 377 R C -1.240 175.013 176.300 -0.077 0.000 1.113 377 R CA -0.550 55.497 56.100 -0.088 0.000 0.948 377 R CB 1.246 31.499 30.300 -0.079 0.000 1.237 377 R HN 0.050 nan 8.270 nan 0.000 0.441 378 N N 3.363 121.896 118.700 -0.278 0.000 2.399 378 N HA 0.253 5.008 4.740 0.025 0.000 0.250 378 N C -2.233 173.220 175.510 -0.095 0.000 1.272 378 N CA -1.050 51.701 53.050 -0.498 0.000 0.928 378 N CB 0.443 37.963 38.487 -1.611 0.000 1.158 378 N HN 0.351 nan 8.380 nan 0.000 0.463 379 P HA 0.106 nan 4.420 nan 0.000 0.274 379 P C 0.050 177.533 177.300 0.304 0.000 1.260 379 P CA -0.082 63.209 63.100 0.318 0.000 0.793 379 P CB 1.027 32.967 31.700 0.401 0.000 1.048 380 D N -1.291 119.264 120.400 0.259 0.000 2.269 380 D HA -0.008 4.646 4.640 0.025 0.000 0.220 380 D C 0.493 176.970 176.300 0.296 0.000 0.962 380 D CA 1.294 55.443 54.000 0.249 0.000 0.884 380 D CB 0.141 41.028 40.800 0.145 0.000 1.023 380 D HN 0.380 nan 8.370 nan 0.000 0.484 381 N N -0.185 118.680 118.700 0.274 0.000 2.399 381 N HA 0.023 4.778 4.740 0.025 0.000 0.284 381 N C -0.033 175.689 175.510 0.352 0.000 1.025 381 N CA -0.332 52.895 53.050 0.295 0.000 0.885 381 N CB 1.678 40.304 38.487 0.233 0.000 1.339 381 N HN -0.146 nan 8.380 nan 0.000 0.487 382 F N 4.456 124.560 119.950 0.256 0.000 2.075 382 F HA -0.119 4.422 4.527 0.023 0.000 0.297 382 F C 1.740 177.677 175.800 0.228 0.000 1.113 382 F CA 1.327 59.481 58.000 0.258 0.000 1.218 382 F CB -0.141 38.985 39.000 0.209 0.000 0.984 382 F HN 0.601 nan 8.300 nan 0.000 0.472 383 F N 1.027 121.245 119.950 0.446 0.000 2.069 383 F HA -0.206 4.336 4.527 0.025 0.000 0.298 383 F C 2.307 178.170 175.800 0.106 0.000 1.113 383 F CA 1.946 60.111 58.000 0.275 0.000 1.214 383 F CB -0.938 38.193 39.000 0.218 0.000 0.978 383 F HN 0.012 nan 8.300 nan 0.000 0.474 384 A N -0.457 122.494 122.820 0.218 0.000 1.933 384 A HA -0.158 4.177 4.320 0.025 0.000 0.218 384 A C 2.098 179.610 177.584 -0.121 0.000 1.175 384 A CA 1.978 54.054 52.037 0.066 0.000 0.628 384 A CB -0.661 18.434 19.000 0.159 0.000 0.814 384 A HN 0.598 nan 8.150 nan 0.000 0.444 385 E N -1.369 118.775 120.200 -0.092 0.000 2.132 385 E HA -0.062 4.303 4.350 0.025 0.000 0.193 385 E C 1.954 178.462 176.600 -0.155 0.000 0.951 385 E CA 0.474 56.756 56.400 -0.197 0.000 0.843 385 E CB -0.109 29.539 29.700 -0.087 0.000 0.807 385 E HN 0.562 nan 8.360 nan 0.000 0.467 386 N N 1.263 119.868 118.700 -0.158 0.000 2.182 386 N HA -0.153 4.602 4.740 0.025 0.000 0.186 386 N C 1.822 177.159 175.510 -0.288 0.000 1.036 386 N CA 1.323 54.224 53.050 -0.247 0.000 0.850 386 N CB 0.079 37.991 38.487 -0.958 0.000 1.010 386 N HN -0.068 nan 8.380 nan 0.000 0.432 387 E N 0.831 120.794 120.200 -0.394 0.000 2.110 387 E HA -0.094 4.271 4.350 0.025 0.000 0.193 387 E C 1.647 178.059 176.600 -0.312 0.000 0.988 387 E CA 1.483 57.723 56.400 -0.267 0.000 0.804 387 E CB -0.156 29.407 29.700 -0.229 0.000 0.745 387 E HN 0.494 nan 8.360 nan 0.000 0.458 388 Q N -0.244 119.295 119.800 -0.434 0.000 2.403 388 Q HA 0.253 4.607 4.340 0.025 0.000 0.203 388 Q C 0.014 175.893 176.000 -0.201 0.000 0.932 388 Q CA 0.212 55.817 55.803 -0.330 0.000 0.945 388 Q CB 0.426 28.954 28.738 -0.349 0.000 1.045 388 Q HN 0.221 nan 8.270 nan 0.000 0.511 389 A N 1.260 123.982 122.820 -0.164 0.000 2.520 389 A HA 0.403 4.738 4.320 0.025 0.000 0.245 389 A C -0.075 177.402 177.584 -0.177 0.000 1.072 389 A CA 0.232 52.153 52.037 -0.192 0.000 0.761 389 A CB 0.157 19.121 19.000 -0.060 0.000 1.004 389 A HN 0.288 nan 8.150 nan 0.000 0.499 390 A N 2.766 125.435 122.820 -0.252 0.000 2.291 390 A HA 0.714 5.049 4.320 0.025 0.000 0.311 390 A C -0.716 176.761 177.584 -0.180 0.000 1.224 390 A CA -0.415 51.539 52.037 -0.138 0.000 0.821 390 A CB 0.249 19.161 19.000 -0.147 0.000 1.172 390 A HN 0.660 nan 8.150 nan 0.000 0.494 391 F N 1.038 121.002 119.950 0.023 0.000 2.480 391 F HA 0.631 5.173 4.527 0.025 0.000 0.329 391 F C 0.277 176.067 175.800 -0.016 0.000 1.091 391 F CA -0.145 57.848 58.000 -0.011 0.000 0.972 391 F CB 2.076 41.009 39.000 -0.112 0.000 1.150 391 F HN 0.761 nan 8.300 nan 0.000 0.467 392 H N 3.434 122.393 119.070 -0.185 0.000 3.042 392 H HA 0.280 4.851 4.556 0.025 0.000 0.345 392 H C -2.464 172.485 175.328 -0.632 0.000 1.052 392 H CA -1.779 53.916 56.048 -0.588 0.000 1.311 392 H CB 2.745 32.089 29.762 -0.697 0.000 1.810 392 H HN 0.188 nan 8.280 nan 0.000 0.505 393 P HA -0.008 nan 4.420 nan 0.000 0.230 393 P C 1.178 178.346 177.300 -0.219 0.000 1.158 393 P CA 1.264 64.045 63.100 -0.531 0.000 0.769 393 P CB 0.102 31.549 31.700 -0.422 0.000 0.807 394 G N -0.839 107.639 108.800 -0.537 0.000 2.559 394 G HA2 -0.174 3.801 3.960 0.025 0.000 0.216 394 G HA3 -0.174 3.801 3.960 0.025 0.000 0.216 394 G C 0.479 175.612 174.900 0.388 0.000 1.126 394 G CA 0.044 45.230 45.100 0.142 0.000 0.778 394 G HN 0.448 nan 8.290 nan 0.000 0.543 395 H N 0.672 119.877 119.070 0.224 0.000 3.092 395 H HA 0.342 4.913 4.556 0.024 0.000 0.263 395 H C 0.569 176.011 175.328 0.190 0.000 1.611 395 H CA -0.798 55.342 56.048 0.153 0.000 1.457 395 H CB -0.128 29.687 29.762 0.088 0.000 1.731 395 H HN 0.385 nan 8.280 nan 0.000 0.532 396 I N -0.521 120.189 120.570 0.233 0.000 3.100 396 I HA 0.681 4.866 4.170 0.025 0.000 0.312 396 I C -0.120 175.989 176.117 -0.014 0.000 1.063 396 I CA -1.391 59.972 61.300 0.106 0.000 1.031 396 I CB 1.838 39.782 38.000 -0.093 0.000 1.243 396 I HN 0.096 nan 8.210 nan 0.000 0.483 397 V N -2.077 117.809 119.914 -0.046 0.000 3.102 397 V HA 0.686 4.821 4.120 0.025 0.000 0.312 397 V C -2.841 173.356 176.094 0.171 0.000 1.135 397 V CA -2.540 59.789 62.300 0.049 0.000 1.022 397 V CB 1.004 32.841 31.823 0.025 0.000 1.056 397 V HN 0.631 nan 8.190 nan 0.000 0.436 398 P HA 0.393 nan 4.420 nan 0.000 0.265 398 P C 0.884 178.184 177.300 0.002 0.000 1.193 398 P CA 1.866 65.053 63.100 0.144 0.000 0.765 398 P CB 0.785 32.538 31.700 0.089 0.000 0.823 399 G N 1.476 110.231 108.800 -0.074 0.000 2.218 399 G HA2 -0.162 3.812 3.960 0.025 0.000 0.216 399 G HA3 -0.162 3.812 3.960 0.025 0.000 0.216 399 G C -0.244 174.567 174.900 -0.149 0.000 0.994 399 G CA -0.405 44.624 45.100 -0.117 0.000 0.637 399 G HN 0.444 nan 8.290 nan 0.000 0.505 400 L N -0.030 121.122 121.223 -0.120 0.000 2.301 400 L HA 0.921 5.275 4.340 0.025 0.000 0.264 400 L C -0.457 176.360 176.870 -0.088 0.000 1.016 400 L CA -1.049 53.701 54.840 -0.150 0.000 0.821 400 L CB 2.099 44.000 42.059 -0.264 0.000 1.346 400 L HN 0.108 nan 8.230 nan 0.000 0.429 401 D N -0.731 119.601 120.400 -0.113 0.000 2.692 401 D HA 0.445 5.100 4.640 0.025 0.000 0.290 401 D C -1.323 174.911 176.300 -0.109 0.000 1.281 401 D CA -0.347 53.541 54.000 -0.188 0.000 0.804 401 D CB 1.845 42.617 40.800 -0.046 0.000 1.331 401 D HN 0.114 nan 8.370 nan 0.000 0.432 402 F N -0.202 119.866 119.950 0.196 0.000 2.321 402 F HA 0.556 5.097 4.527 0.024 0.000 0.318 402 F C 1.452 177.257 175.800 0.010 0.000 1.129 402 F CA -0.291 57.741 58.000 0.053 0.000 1.074 402 F CB 1.302 40.311 39.000 0.015 0.000 1.432 402 F HN 0.210 nan 8.300 nan 0.000 0.502 403 T N -3.236 111.400 114.554 0.137 0.000 2.742 403 T HA 0.306 4.670 4.350 0.025 0.000 0.282 403 T C -0.051 174.678 174.700 0.049 0.000 1.025 403 T CA -0.980 61.189 62.100 0.115 0.000 1.020 403 T CB 1.168 70.086 68.868 0.082 0.000 1.317 403 T HN 0.355 nan 8.240 nan 0.000 0.538 404 N N 1.141 119.878 118.700 0.063 0.000 2.434 404 N HA 0.049 4.804 4.740 0.025 0.000 0.196 404 N C 0.066 175.584 175.510 0.014 0.000 1.183 404 N CA 0.079 53.149 53.050 0.032 0.000 0.849 404 N CB -0.449 38.075 38.487 0.062 0.000 0.992 404 N HN 0.684 nan 8.380 nan 0.000 0.460 405 D N 2.349 122.741 120.400 -0.014 0.000 2.662 405 D HA -0.089 4.565 4.640 0.025 0.000 0.237 405 D C -1.380 174.913 176.300 -0.012 0.000 1.154 405 D CA -0.763 53.248 54.000 0.018 0.000 0.861 405 D CB 1.235 41.984 40.800 -0.085 0.000 1.146 405 D HN 0.164 nan 8.370 nan 0.000 0.518 406 P HA -0.083 nan 4.420 nan 0.000 0.236 406 P C 1.529 178.845 177.300 0.026 0.000 1.177 406 P CA 0.048 63.162 63.100 0.024 0.000 0.773 406 P CB 0.448 32.155 31.700 0.011 0.000 0.878 407 L N -0.071 121.187 121.223 0.057 0.000 2.049 407 L HA -0.013 4.342 4.340 0.025 0.000 0.203 407 L C 2.405 179.184 176.870 -0.150 0.000 1.074 407 L CA 1.299 56.163 54.840 0.041 0.000 0.749 407 L CB -1.570 40.603 42.059 0.189 0.000 0.907 407 L HN -0.166 nan 8.230 nan 0.000 0.439 408 L N -0.522 120.444 121.223 -0.428 0.000 2.042 408 L HA -0.247 4.108 4.340 0.025 0.000 0.210 408 L C 2.453 179.073 176.870 -0.417 0.000 1.076 408 L CA 1.824 56.211 54.840 -0.755 0.000 0.749 408 L CB -0.902 40.445 42.059 -1.186 0.000 0.893 408 L HN 0.383 nan 8.230 nan 0.000 0.432 409 Q N -0.229 119.400 119.800 -0.285 0.000 2.135 409 Q HA -0.151 4.204 4.340 0.025 0.000 0.204 409 Q C 2.089 178.009 176.000 -0.133 0.000 0.981 409 Q CA 1.751 57.428 55.803 -0.211 0.000 0.856 409 Q CB -0.694 27.970 28.738 -0.122 0.000 0.902 409 Q HN 0.719 nan 8.270 nan 0.000 0.425 410 G N 0.231 108.981 108.800 -0.084 0.000 2.430 410 G HA2 -0.174 3.800 3.960 0.025 0.000 0.216 410 G HA3 -0.174 3.800 3.960 0.025 0.000 0.216 410 G C 1.516 176.435 174.900 0.033 0.000 1.146 410 G CA 0.011 45.112 45.100 0.002 0.000 0.793 410 G HN 0.227 nan 8.290 nan 0.000 0.537 411 R N -0.025 120.440 120.500 -0.058 0.000 2.117 411 R HA -0.022 4.333 4.340 0.025 0.000 0.243 411 R C 2.507 178.891 176.300 0.140 0.000 1.143 411 R CA 1.030 57.154 56.100 0.040 0.000 0.968 411 R CB -0.512 29.755 30.300 -0.055 0.000 0.863 411 R HN 0.342 nan 8.270 nan 0.000 0.444 412 L N -0.439 120.759 121.223 -0.042 0.000 2.129 412 L HA -0.227 4.127 4.340 0.025 0.000 0.212 412 L C 2.320 179.326 176.870 0.227 0.000 1.087 412 L CA 1.232 56.072 54.840 -0.001 0.000 0.757 412 L CB -0.520 41.389 42.059 -0.249 0.000 0.896 412 L HN 0.165 nan 8.230 nan 0.000 0.434 413 F N 0.314 120.298 119.950 0.057 0.000 2.113 413 F HA -0.208 4.333 4.527 0.025 0.000 0.297 413 F C 2.851 178.694 175.800 0.072 0.000 1.103 413 F CA 1.693 59.722 58.000 0.049 0.000 1.248 413 F CB -0.298 38.710 39.000 0.013 0.000 0.999 413 F HN -0.043 nan 8.300 nan 0.000 0.475 414 S N -0.885 114.840 115.700 0.041 0.000 2.368 414 S HA -0.216 4.269 4.470 0.025 0.000 0.224 414 S C 2.025 176.505 174.600 -0.199 0.000 1.029 414 S CA 1.398 59.514 58.200 -0.139 0.000 0.988 414 S CB -0.787 62.342 63.200 -0.119 0.000 0.838 414 S HN 0.532 nan 8.310 nan 0.000 0.462 415 Y N 1.747 122.053 120.300 0.010 0.000 2.457 415 Y HA -0.014 4.550 4.550 0.025 0.000 0.292 415 Y C 2.946 178.519 175.900 -0.546 0.000 1.125 415 Y CA 1.162 59.278 58.100 0.028 0.000 1.254 415 Y CB -0.397 39.052 38.460 1.649 0.000 1.012 415 Y HN 0.523 nan 8.280 nan 0.000 0.555 416 T N -3.037 111.136 114.554 -0.634 0.000 2.894 416 T HA -0.133 4.232 4.350 0.025 0.000 0.258 416 T C 1.539 176.031 174.700 -0.348 0.000 1.043 416 T CA 1.216 63.040 62.100 -0.459 0.000 1.141 416 T CB -0.418 68.234 68.868 -0.359 0.000 0.873 416 T HN 0.249 nan 8.240 nan 0.000 0.449 417 D N 1.350 121.482 120.400 -0.447 0.000 2.097 417 D HA -0.130 4.525 4.640 0.025 0.000 0.195 417 D C 2.293 178.431 176.300 -0.270 0.000 0.989 417 D CA 1.831 55.588 54.000 -0.405 0.000 0.827 417 D CB -0.827 39.545 40.800 -0.712 0.000 0.966 417 D HN 0.369 nan 8.370 nan 0.000 0.456 418 T N -1.005 113.381 114.554 -0.280 0.000 2.803 418 T HA -0.148 4.217 4.350 0.025 0.000 0.269 418 T C 1.649 176.216 174.700 -0.221 0.000 1.052 418 T CA 1.221 63.197 62.100 -0.206 0.000 1.136 418 T CB -0.246 68.502 68.868 -0.201 0.000 0.864 418 T HN 0.130 nan 8.240 nan 0.000 0.467 419 Q N 0.643 120.232 119.800 -0.350 0.000 2.291 419 Q HA 0.000 4.355 4.340 0.025 0.000 0.206 419 Q C 2.241 178.109 176.000 -0.219 0.000 0.976 419 Q CA 0.720 56.253 55.803 -0.450 0.000 0.875 419 Q CB -0.452 27.587 28.738 -1.166 0.000 0.927 419 Q HN 0.514 nan 8.270 nan 0.000 0.450 420 I N 0.781 121.278 120.570 -0.122 0.000 2.286 420 I HA -0.199 3.986 4.170 0.025 0.000 0.248 420 I C 2.237 178.348 176.117 -0.011 0.000 1.115 420 I CA 1.627 62.921 61.300 -0.011 0.000 1.392 420 I CB -1.232 36.770 38.000 0.004 0.000 1.065 420 I HN 0.194 nan 8.210 nan 0.000 0.418 421 S N 0.255 115.935 115.700 -0.034 0.000 2.427 421 S HA -0.058 4.427 4.470 0.025 0.000 0.224 421 S C 2.162 176.748 174.600 -0.022 0.000 1.047 421 S CA 0.102 58.293 58.200 -0.015 0.000 0.953 421 S CB -0.354 62.842 63.200 -0.008 0.000 0.824 421 S HN 0.275 nan 8.310 nan 0.000 0.502 422 R N 0.940 121.407 120.500 -0.055 0.000 2.083 422 R HA 0.123 4.477 4.340 0.025 0.000 0.237 422 R C 1.402 177.678 176.300 -0.040 0.000 1.137 422 R CA 1.575 57.644 56.100 -0.051 0.000 0.951 422 R CB -0.266 29.980 30.300 -0.090 0.000 0.851 422 R HN 0.450 nan 8.270 nan 0.000 0.434 423 L N -1.071 120.116 121.223 -0.059 0.000 2.857 423 L HA 0.324 4.678 4.340 0.025 0.000 0.249 423 L C 0.828 177.711 176.870 0.023 0.000 1.172 423 L CA 0.293 55.118 54.840 -0.025 0.000 0.980 423 L CB 1.211 43.244 42.059 -0.044 0.000 1.299 423 L HN 0.588 nan 8.230 nan 0.000 0.535 424 G N -0.052 108.762 108.800 0.023 0.000 2.176 424 G HA2 -0.115 3.859 3.960 0.025 0.000 0.253 424 G HA3 -0.115 3.859 3.960 0.025 0.000 0.253 424 G C 0.452 175.391 174.900 0.065 0.000 0.979 424 G CA 0.006 45.129 45.100 0.038 0.000 0.641 424 G HN 0.781 nan 8.290 nan 0.000 0.530 425 G N -1.533 107.327 108.800 0.100 0.000 2.352 425 G HA2 0.579 4.554 3.960 0.025 0.000 0.283 425 G HA3 0.579 4.554 3.960 0.025 0.000 0.283 425 G C -2.239 172.797 174.900 0.228 0.000 1.308 425 G CA 0.410 45.586 45.100 0.127 0.000 0.892 425 G HN 0.473 nan 8.290 nan 0.000 0.504 426 P HA 0.145 nan 4.420 nan 0.000 0.255 426 P C 0.308 177.623 177.300 0.025 0.000 1.248 426 P CA 0.349 63.546 63.100 0.163 0.000 0.807 426 P CB 0.214 31.969 31.700 0.091 0.000 1.150 427 N N 0.424 119.140 118.700 0.027 0.000 2.327 427 N HA 0.065 4.819 4.740 0.025 0.000 0.231 427 N C 0.992 176.354 175.510 -0.246 0.000 1.130 427 N CA -0.175 52.792 53.050 -0.138 0.000 0.845 427 N CB -0.555 37.883 38.487 -0.081 0.000 1.073 427 N HN 0.255 nan 8.380 nan 0.000 0.496 428 F N 0.705 120.628 119.950 -0.045 0.000 2.451 428 F HA -0.062 4.479 4.527 0.023 0.000 0.299 428 F C 2.185 177.913 175.800 -0.121 0.000 1.101 428 F CA 0.730 58.677 58.000 -0.088 0.000 1.436 428 F CB -0.762 38.207 39.000 -0.052 0.000 1.074 428 F HN 0.175 nan 8.300 nan 0.000 0.553 429 H N 0.335 119.032 119.070 -0.621 0.000 2.559 429 H HA 0.074 4.645 4.556 0.025 0.000 0.273 429 H C 0.811 175.975 175.328 -0.272 0.000 1.000 429 H CA 1.315 57.091 56.048 -0.454 0.000 1.195 429 H CB -0.643 28.704 29.762 -0.690 0.000 1.368 429 H HN 0.535 nan 8.280 nan 0.000 0.592 430 E N 0.888 120.673 120.200 -0.692 0.000 2.447 430 E HA 0.187 4.552 4.350 0.025 0.000 0.195 430 E C 0.366 176.849 176.600 -0.195 0.000 1.028 430 E CA -0.314 55.832 56.400 -0.423 0.000 0.876 430 E CB 0.590 30.047 29.700 -0.404 0.000 0.885 430 E HN 0.413 nan 8.360 nan 0.000 0.500 431 I N 2.912 123.388 120.570 -0.157 0.000 2.668 431 I HA -0.073 4.111 4.170 0.025 0.000 0.285 431 I C -1.570 174.485 176.117 -0.103 0.000 1.168 431 I CA -1.206 60.032 61.300 -0.104 0.000 1.424 431 I CB 0.508 38.460 38.000 -0.081 0.000 1.377 431 I HN -0.171 nan 8.210 nan 0.000 0.560 432 P HA -0.235 nan 4.420 nan 0.000 0.215 432 P C 1.753 178.977 177.300 -0.126 0.000 1.157 432 P CA 1.221 64.264 63.100 -0.096 0.000 0.874 432 P CB 0.170 31.821 31.700 -0.082 0.000 0.790 433 I N -0.581 119.884 120.570 -0.176 0.000 2.335 433 I HA -0.222 3.963 4.170 0.025 0.000 0.251 433 I C 1.388 177.423 176.117 -0.137 0.000 1.129 433 I CA 1.724 62.866 61.300 -0.264 0.000 1.402 433 I CB -0.620 37.090 38.000 -0.483 0.000 1.069 433 I HN -0.104 nan 8.210 nan 0.000 0.424 434 N N 0.726 119.361 118.700 -0.108 0.000 2.446 434 N HA -0.001 4.754 4.740 0.025 0.000 0.179 434 N C 0.344 175.854 175.510 0.001 0.000 1.054 434 N CA 0.294 53.310 53.050 -0.056 0.000 0.905 434 N CB -0.192 38.280 38.487 -0.025 0.000 0.973 434 N HN 0.392 nan 8.380 nan 0.000 0.448 435 R N 1.651 122.150 120.500 -0.001 0.000 2.570 435 R HA 0.121 4.476 4.340 0.025 0.000 0.277 435 R C -2.204 174.154 176.300 0.097 0.000 1.039 435 R CA -1.093 55.011 56.100 0.007 0.000 1.065 435 R CB -0.135 30.156 30.300 -0.014 0.000 0.964 435 R HN 0.051 nan 8.270 nan 0.000 0.428 436 P HA -0.001 nan 4.420 nan 0.000 0.272 436 P C 0.593 177.969 177.300 0.127 0.000 1.223 436 P CA -0.058 63.119 63.100 0.128 0.000 0.784 436 P CB 0.733 32.462 31.700 0.048 0.000 0.923 437 T N -1.795 112.851 114.554 0.152 0.000 3.067 437 T HA 0.239 4.603 4.350 0.025 0.000 0.257 437 T C 0.927 175.680 174.700 0.089 0.000 1.105 437 T CA 0.048 62.194 62.100 0.077 0.000 1.104 437 T CB -0.325 68.576 68.868 0.054 0.000 0.925 437 T HN 0.455 nan 8.240 nan 0.000 0.498 438 A N 2.920 125.806 122.820 0.111 0.000 2.425 438 A HA 0.557 4.892 4.320 0.025 0.000 0.242 438 A C -2.221 175.430 177.584 0.112 0.000 1.077 438 A CA -1.331 50.769 52.037 0.104 0.000 0.781 438 A CB -0.381 18.681 19.000 0.104 0.000 1.020 438 A HN 0.276 nan 8.150 nan 0.000 0.494 439 P HA 0.311 nan 4.420 nan 0.000 0.269 439 P C -1.087 176.307 177.300 0.157 0.000 1.209 439 P CA 0.563 63.747 63.100 0.140 0.000 0.776 439 P CB 0.169 31.995 31.700 0.209 0.000 0.876 440 Y N 0.878 121.085 120.300 -0.154 0.000 2.386 440 Y HA 0.664 5.228 4.550 0.024 0.000 0.334 440 Y C -1.436 174.155 175.900 -0.514 0.000 1.002 440 Y CA -0.904 57.079 58.100 -0.193 0.000 1.068 440 Y CB 1.372 39.734 38.460 -0.164 0.000 1.203 440 Y HN 0.434 nan 8.280 nan 0.000 0.443 441 H N 3.740 122.691 119.070 -0.199 0.000 2.947 441 H HA 0.538 5.109 4.556 0.025 0.000 0.354 441 H C -1.178 174.011 175.328 -0.232 0.000 1.085 441 H CA -0.848 54.995 56.048 -0.341 0.000 1.253 441 H CB 1.665 31.265 29.762 -0.270 0.000 1.757 441 H HN 0.893 nan 8.280 nan 0.000 0.523 442 N N 0.267 118.840 118.700 -0.212 0.000 3.449 442 N HA 0.197 4.952 4.740 0.025 0.000 0.312 442 N C -1.181 174.056 175.510 -0.455 0.000 1.557 442 N CA -0.928 51.941 53.050 -0.302 0.000 0.864 442 N CB 0.645 39.120 38.487 -0.020 0.000 1.799 442 N HN 0.302 nan 8.380 nan 0.000 0.554 443 F N -0.324 119.666 119.950 0.066 0.000 2.641 443 F HA 0.362 4.903 4.527 0.024 0.000 0.302 443 F C 0.456 176.298 175.800 0.070 0.000 1.098 443 F CA -0.355 57.679 58.000 0.058 0.000 1.318 443 F CB 0.173 39.203 39.000 0.050 0.000 1.035 443 F HN 0.137 nan 8.300 nan 0.000 0.551 444 Q N 1.565 121.466 119.800 0.168 0.000 2.352 444 Q HA 0.383 4.738 4.340 0.025 0.000 0.260 444 Q C 0.044 176.119 176.000 0.125 0.000 0.976 444 Q CA -0.017 55.870 55.803 0.140 0.000 0.881 444 Q CB 0.993 29.791 28.738 0.100 0.000 1.235 444 Q HN 0.082 nan 8.270 nan 0.000 0.419 445 R N 1.624 122.192 120.500 0.113 0.000 2.836 445 R HA 0.378 4.733 4.340 0.025 0.000 0.269 445 R C -0.658 175.691 176.300 0.080 0.000 1.010 445 R CA -0.632 55.526 56.100 0.097 0.000 0.930 445 R CB 1.264 31.624 30.300 0.100 0.000 1.218 445 R HN 0.717 nan 8.270 nan 0.000 0.473 446 D N -0.278 120.162 120.400 0.066 0.000 3.555 446 D HA -0.146 4.509 4.640 0.025 0.000 0.215 446 D C 0.335 176.668 176.300 0.056 0.000 1.480 446 D CA 1.886 55.918 54.000 0.053 0.000 1.126 446 D CB -1.107 39.724 40.800 0.051 0.000 0.676 446 D HN 0.898 nan 8.370 nan 0.000 0.824 447 G N -1.246 107.586 108.800 0.052 0.000 2.758 447 G HA2 0.169 4.143 3.960 0.025 0.000 0.686 447 G HA3 0.169 4.143 3.960 0.025 0.000 0.686 447 G C -0.247 174.688 174.900 0.057 0.000 1.389 447 G CA 0.081 45.216 45.100 0.057 0.000 0.845 447 G HN 0.813 nan 8.290 nan 0.000 0.572 448 M N 0.972 120.612 119.600 0.067 0.000 2.249 448 M HA 0.475 4.970 4.480 0.025 0.000 0.340 448 M C 1.117 177.495 176.300 0.130 0.000 1.166 448 M CA 1.333 56.682 55.300 0.082 0.000 1.115 448 M CB -0.448 32.200 32.600 0.081 0.000 1.606 448 M HN 1.640 nan 8.290 nan 0.000 0.448 449 H N 0.912 119.987 119.070 0.008 0.000 2.604 449 H HA -0.202 4.368 4.556 0.022 0.000 0.321 449 H C -0.637 174.683 175.328 -0.012 0.000 1.132 449 H CA 0.588 56.637 56.048 0.002 0.000 1.129 449 H CB -0.596 29.170 29.762 0.007 0.000 1.526 449 H HN 0.645 nan 8.280 nan 0.000 0.415 450 R N 1.568 122.092 120.500 0.040 0.000 2.446 450 R HA 0.017 4.371 4.340 0.025 0.000 0.314 450 R C 0.944 177.240 176.300 -0.007 0.000 1.003 450 R CA 0.226 56.339 56.100 0.022 0.000 1.018 450 R CB 0.253 30.564 30.300 0.018 0.000 0.945 450 R HN 0.431 nan 8.270 nan 0.000 0.419 451 M N 2.773 122.382 119.600 0.015 0.000 2.412 451 M HA 0.207 4.702 4.480 0.025 0.000 0.263 451 M C 1.002 177.298 176.300 -0.007 0.000 1.122 451 M CA 1.054 56.357 55.300 0.005 0.000 1.179 451 M CB -0.868 31.746 32.600 0.024 0.000 1.335 451 M HN 0.704 nan 8.290 nan 0.000 0.465 452 G N 1.903 110.705 108.800 0.002 0.000 2.340 452 G HA2 0.366 4.340 3.960 0.025 0.000 0.245 452 G HA3 0.366 4.340 3.960 0.025 0.000 0.245 452 G C -0.338 174.555 174.900 -0.012 0.000 1.294 452 G CA -0.359 44.737 45.100 -0.008 0.000 0.896 452 G HN 0.325 nan 8.290 nan 0.000 0.522 453 I N 2.875 123.431 120.570 -0.023 0.000 2.307 453 I HA 0.091 4.275 4.170 0.025 0.000 0.287 453 I C -0.250 175.856 176.117 -0.019 0.000 1.054 453 I CA -0.529 60.761 61.300 -0.016 0.000 1.218 453 I CB 0.850 38.841 38.000 -0.016 0.000 1.398 453 I HN 0.351 nan 8.210 nan 0.000 0.475 454 D N 4.751 125.145 120.400 -0.010 0.000 2.383 454 D HA 0.053 4.708 4.640 0.025 0.000 0.252 454 D C 1.248 177.550 176.300 0.003 0.000 1.166 454 D CA 0.278 54.270 54.000 -0.012 0.000 0.879 454 D CB 1.773 42.574 40.800 0.001 0.000 1.164 454 D HN 0.558 nan 8.370 nan 0.000 0.462 455 T N -0.710 113.843 114.554 -0.002 0.000 3.060 455 T HA -0.057 4.308 4.350 0.025 0.000 0.249 455 T C 0.848 175.560 174.700 0.020 0.000 1.079 455 T CA -0.524 61.580 62.100 0.006 0.000 1.013 455 T CB 0.175 69.039 68.868 -0.006 0.000 0.975 455 T HN 0.114 nan 8.240 nan 0.000 0.518 456 N N 3.358 122.074 118.700 0.026 0.000 2.411 456 N HA 0.099 4.854 4.740 0.025 0.000 0.261 456 N C -1.672 173.885 175.510 0.077 0.000 1.248 456 N CA -1.555 51.526 53.050 0.052 0.000 0.885 456 N CB 1.453 39.978 38.487 0.062 0.000 1.062 456 N HN 0.064 nan 8.380 nan 0.000 0.471 457 P HA -0.007 nan 4.420 nan 0.000 0.220 457 P C -0.537 176.829 177.300 0.110 0.000 1.148 457 P CA 0.878 64.027 63.100 0.082 0.000 0.803 457 P CB 0.192 31.934 31.700 0.071 0.000 0.782 458 A N 0.794 123.669 122.820 0.091 0.000 2.301 458 A HA 0.376 4.711 4.320 0.025 0.000 0.312 458 A C 0.516 178.217 177.584 0.194 0.000 1.182 458 A CA -0.617 51.427 52.037 0.013 0.000 0.826 458 A CB -0.157 18.663 19.000 -0.300 0.000 1.134 458 A HN 0.299 nan 8.150 nan 0.000 0.501 459 N N 0.451 119.299 118.700 0.246 0.000 2.351 459 N HA 0.347 5.102 4.740 0.025 0.000 0.254 459 N C -0.892 174.783 175.510 0.275 0.000 1.241 459 N CA -0.370 52.906 53.050 0.376 0.000 0.883 459 N CB 0.313 38.969 38.487 0.282 0.000 1.202 459 N HN 0.688 nan 8.380 nan 0.000 0.512 460 Y N -1.040 119.098 120.300 -0.271 0.000 2.597 460 Y HA 0.671 5.236 4.550 0.024 0.000 0.340 460 Y C -1.383 173.867 175.900 -1.084 0.000 1.097 460 Y CA -1.409 56.369 58.100 -0.537 0.000 1.037 460 Y CB 1.041 39.358 38.460 -0.238 0.000 1.305 460 Y HN 0.046 nan 8.280 nan 0.000 0.463 461 E N 1.120 120.797 120.200 -0.871 0.000 2.340 461 E HA 0.673 5.038 4.350 0.025 0.000 0.273 461 E C -3.125 173.368 176.600 -0.179 0.000 0.891 461 E CA -2.029 53.987 56.400 -0.639 0.000 0.757 461 E CB 1.702 31.003 29.700 -0.665 0.000 1.231 461 E HN 0.569 nan 8.360 nan 0.000 0.439 462 P HA 0.315 nan 4.420 nan 0.000 0.277 462 P C -1.298 175.929 177.300 -0.121 0.000 1.240 462 P CA -0.537 62.487 63.100 -0.128 0.000 0.798 462 P CB 0.550 32.215 31.700 -0.057 0.000 0.979 463 N N -1.681 116.878 118.700 -0.235 0.000 2.242 463 N HA 0.306 5.061 4.740 0.025 0.000 0.292 463 N C 0.294 175.741 175.510 -0.106 0.000 1.125 463 N CA -0.764 52.148 53.050 -0.230 0.000 0.783 463 N CB 1.486 39.531 38.487 -0.735 0.000 1.558 463 N HN 0.191 nan 8.380 nan 0.000 0.472 464 S N 1.113 116.805 115.700 -0.013 0.000 2.483 464 S HA -0.033 4.452 4.470 0.025 0.000 0.221 464 S C 1.583 176.189 174.600 0.011 0.000 1.030 464 S CA 0.107 58.303 58.200 -0.006 0.000 0.925 464 S CB -0.780 62.431 63.200 0.018 0.000 0.795 464 S HN 0.720 nan 8.310 nan 0.000 0.511 465 I N -0.605 119.981 120.570 0.026 0.000 2.756 465 I HA 0.151 4.335 4.170 0.025 0.000 0.262 465 I C 1.275 177.420 176.117 0.047 0.000 1.225 465 I CA 1.384 62.712 61.300 0.047 0.000 1.472 465 I CB -0.432 37.616 38.000 0.079 0.000 1.094 465 I HN 0.195 nan 8.210 nan 0.000 0.454 466 N N 1.134 119.856 118.700 0.037 0.000 2.291 466 N HA 0.043 4.798 4.740 0.025 0.000 0.244 466 N C -0.102 175.504 175.510 0.159 0.000 1.216 466 N CA -0.046 53.067 53.050 0.105 0.000 0.879 466 N CB 0.026 38.589 38.487 0.127 0.000 1.167 466 N HN 0.201 nan 8.380 nan 0.000 0.515 467 D N 0.667 121.107 120.400 0.067 0.000 2.837 467 D HA -0.251 4.403 4.640 0.025 0.000 0.230 467 D C -0.085 176.094 176.300 -0.202 0.000 1.152 467 D CA 1.017 55.017 54.000 -0.001 0.000 0.736 467 D CB -1.375 39.503 40.800 0.130 0.000 1.084 467 D HN 0.477 nan 8.370 nan 0.000 0.429 468 N N -1.667 116.949 118.700 -0.140 0.000 2.753 468 N HA -0.249 4.506 4.740 0.025 0.000 0.251 468 N C -0.796 174.633 175.510 -0.136 0.000 1.097 468 N CA 1.419 54.359 53.050 -0.183 0.000 0.786 468 N CB -1.294 37.044 38.487 -0.248 0.000 1.137 468 N HN 0.546 nan 8.380 nan 0.000 0.566 469 W N 0.992 122.344 121.300 0.087 0.000 2.313 469 W HA 0.436 5.110 4.660 0.024 0.000 0.328 469 W C -1.652 174.913 176.519 0.077 0.000 1.197 469 W CA -1.631 55.747 57.345 0.056 0.000 1.235 469 W CB 0.622 30.066 29.460 -0.027 0.000 1.158 469 W HN -0.030 nan 8.180 nan 0.000 0.578 470 P HA 0.213 nan 4.420 nan 0.000 0.278 470 P C -0.696 176.730 177.300 0.211 0.000 1.238 470 P CA -0.198 63.036 63.100 0.224 0.000 0.794 470 P CB 1.020 32.690 31.700 -0.049 0.000 0.955 471 R N 1.115 121.733 120.500 0.198 0.000 2.604 471 R HA 0.304 4.659 4.340 0.025 0.000 0.287 471 R C 0.365 176.705 176.300 0.065 0.000 0.970 471 R CA -0.803 55.298 56.100 0.001 0.000 0.946 471 R CB 1.138 31.236 30.300 -0.337 0.000 1.127 471 R HN 0.495 nan 8.270 nan 0.000 0.473 472 E N 0.780 121.006 120.200 0.044 0.000 2.436 472 E HA -0.004 4.360 4.350 0.025 0.000 0.262 472 E C -0.531 176.094 176.600 0.042 0.000 1.063 472 E CA 0.742 57.175 56.400 0.054 0.000 0.944 472 E CB 0.573 30.296 29.700 0.038 0.000 0.950 472 E HN 0.365 nan 8.360 nan 0.000 0.444 473 T N 3.630 118.219 114.554 0.058 0.000 2.881 473 T HA 0.312 4.676 4.350 0.025 0.000 0.291 473 T C -2.454 172.271 174.700 0.041 0.000 0.990 473 T CA -1.555 60.578 62.100 0.054 0.000 0.976 473 T CB 1.437 70.348 68.868 0.072 0.000 0.970 473 T HN 0.229 nan 8.240 nan 0.000 0.438 474 P HA 0.150 nan 4.420 nan 0.000 0.266 474 P C -2.360 174.946 177.300 0.010 0.000 1.193 474 P CA -1.014 62.094 63.100 0.013 0.000 0.770 474 P CB -0.254 31.449 31.700 0.005 0.000 0.836 475 P HA 0.199 nan 4.420 nan 0.000 0.269 475 P C -0.063 177.224 177.300 -0.021 0.000 1.209 475 P CA 0.407 63.491 63.100 -0.027 0.000 0.776 475 P CB 0.807 32.471 31.700 -0.061 0.000 0.876 476 G N 1.624 110.411 108.800 -0.022 0.000 2.606 476 G HA2 0.415 4.390 3.960 0.025 0.000 0.300 476 G HA3 0.415 4.390 3.960 0.025 0.000 0.300 476 G C -2.445 172.443 174.900 -0.020 0.000 1.360 476 G CA -0.740 44.351 45.100 -0.016 0.000 0.783 476 G HN 0.161 nan 8.290 nan 0.000 0.484 477 P HA 0.089 nan 4.420 nan 0.000 0.221 477 P C 0.032 177.325 177.300 -0.011 0.000 1.150 477 P CA 1.130 64.219 63.100 -0.017 0.000 0.800 477 P CB 0.355 32.048 31.700 -0.012 0.000 0.787 478 K N -0.684 119.716 120.400 0.001 0.000 2.542 478 K HA 0.275 4.610 4.320 0.025 0.000 0.259 478 K C -0.015 176.599 176.600 0.023 0.000 0.932 478 K CA -0.821 55.473 56.287 0.012 0.000 0.820 478 K CB 2.365 34.874 32.500 0.014 0.000 1.345 478 K HN -0.281 nan 8.250 nan 0.000 0.432 479 R N -0.676 119.845 120.500 0.036 0.000 3.875 479 R HA -0.141 4.214 4.340 0.025 0.000 0.321 479 R C 0.203 176.532 176.300 0.047 0.000 1.196 479 R CA 1.114 57.242 56.100 0.047 0.000 0.868 479 R CB -2.148 28.178 30.300 0.044 0.000 1.333 479 R HN 0.974 nan 8.270 nan 0.000 0.522 480 G N -0.583 108.240 108.800 0.038 0.000 2.502 480 G HA2 0.576 4.551 3.960 0.025 0.000 0.305 480 G HA3 0.576 4.551 3.960 0.025 0.000 0.305 480 G C 0.411 175.344 174.900 0.055 0.000 1.190 480 G CA 0.105 45.226 45.100 0.035 0.000 0.933 480 G HN 0.241 nan 8.290 nan 0.000 0.503 481 G N -1.237 107.597 108.800 0.057 0.000 2.544 481 G HA2 0.375 4.350 3.960 0.025 0.000 0.242 481 G HA3 0.375 4.350 3.960 0.025 0.000 0.242 481 G C -0.548 174.406 174.900 0.091 0.000 1.247 481 G CA -0.496 44.658 45.100 0.090 0.000 0.840 481 G HN 0.454 nan 8.290 nan 0.000 0.578 482 F N 0.637 120.603 119.950 0.027 0.000 2.504 482 F HA 0.370 4.913 4.527 0.025 0.000 0.369 482 F C 0.579 176.395 175.800 0.026 0.000 1.082 482 F CA -0.128 57.884 58.000 0.019 0.000 1.216 482 F CB 0.809 39.824 39.000 0.025 0.000 1.108 482 F HN 0.458 nan 8.300 nan 0.000 0.554 483 E N 3.830 123.658 120.200 -0.620 0.000 2.272 483 E HA 0.329 4.693 4.350 0.025 0.000 0.269 483 E C -1.160 175.072 176.600 -0.613 0.000 0.877 483 E CA -0.820 55.361 56.400 -0.364 0.000 0.755 483 E CB 1.686 31.267 29.700 -0.198 0.000 1.192 483 E HN 0.604 nan 8.360 nan 0.000 0.422 484 S N 2.317 117.902 115.700 -0.192 0.000 2.565 484 S HA 0.048 4.532 4.470 0.025 0.000 0.276 484 S C -0.648 173.930 174.600 -0.036 0.000 1.326 484 S CA -0.387 57.794 58.200 -0.032 0.000 1.045 484 S CB 0.187 63.498 63.200 0.185 0.000 0.918 484 S HN 0.461 nan 8.310 nan 0.000 0.505 485 Y N 2.646 122.878 120.300 -0.114 0.000 2.717 485 Y HA -0.034 4.531 4.550 0.024 0.000 0.330 485 Y C 0.866 176.745 175.900 -0.035 0.000 1.217 485 Y CA 0.271 58.316 58.100 -0.091 0.000 1.506 485 Y CB 0.210 38.614 38.460 -0.092 0.000 1.268 485 Y HN 0.583 nan 8.280 nan 0.000 0.561 486 Q N 5.366 124.789 119.800 -0.628 0.000 3.254 486 Q HA 0.018 4.373 4.340 0.025 0.000 0.315 486 Q C -0.243 175.471 176.000 -0.476 0.000 1.405 486 Q CA -0.059 55.492 55.803 -0.420 0.000 0.966 486 Q CB -0.167 28.389 28.738 -0.304 0.000 1.706 486 Q HN 0.652 nan 8.270 nan 0.000 0.525 487 E N 1.553 121.555 120.200 -0.330 0.000 2.413 487 E HA -0.007 4.358 4.350 0.025 0.000 0.263 487 E C -0.292 176.280 176.600 -0.047 0.000 1.015 487 E CA -0.295 56.038 56.400 -0.111 0.000 0.916 487 E CB 0.690 30.464 29.700 0.122 0.000 0.947 487 E HN 0.251 nan 8.360 nan 0.000 0.440 488 R N 3.089 123.586 120.500 -0.006 0.000 2.389 488 R HA 0.235 4.590 4.340 0.025 0.000 0.295 488 R C -1.298 175.025 176.300 0.040 0.000 1.075 488 R CA -0.435 55.670 56.100 0.008 0.000 1.005 488 R CB 0.779 31.090 30.300 0.019 0.000 0.987 488 R HN 0.313 nan 8.270 nan 0.000 0.452 489 V N 4.453 124.383 119.914 0.027 0.000 2.495 489 V HA 0.407 4.542 4.120 0.025 0.000 0.298 489 V C -0.385 175.723 176.094 0.024 0.000 1.031 489 V CA -0.525 61.795 62.300 0.034 0.000 0.871 489 V CB 1.491 33.331 31.823 0.028 0.000 0.988 489 V HN 0.837 nan 8.190 nan 0.000 0.432 490 E N 2.662 122.878 120.200 0.027 0.000 2.307 490 E HA 0.641 5.005 4.350 0.025 0.000 0.280 490 E C -0.543 176.064 176.600 0.011 0.000 0.900 490 E CA -0.130 56.279 56.400 0.015 0.000 0.790 490 E CB 2.219 31.929 29.700 0.016 0.000 1.261 490 E HN 0.971 nan 8.360 nan 0.000 0.405 491 G N 2.869 111.670 108.800 0.002 0.000 2.313 491 G HA2 0.108 4.082 3.960 0.025 0.000 0.296 491 G HA3 0.108 4.082 3.960 0.025 0.000 0.296 491 G C -1.427 173.467 174.900 -0.009 0.000 1.356 491 G CA -0.884 44.214 45.100 -0.004 0.000 0.833 491 G HN 0.398 nan 8.290 nan 0.000 0.552 492 N N 0.068 118.760 118.700 -0.014 0.000 2.482 492 N HA 0.376 5.131 4.740 0.025 0.000 0.279 492 N C -0.241 175.256 175.510 -0.021 0.000 1.182 492 N CA -0.362 52.678 53.050 -0.016 0.000 0.969 492 N CB 1.196 39.672 38.487 -0.018 0.000 1.201 492 N HN 0.462 nan 8.380 nan 0.000 0.523 493 K N 0.837 121.224 120.400 -0.022 0.000 2.351 493 K HA 0.194 4.529 4.320 0.025 0.000 0.287 493 K C -0.342 176.237 176.600 -0.035 0.000 1.068 493 K CA -0.177 56.093 56.287 -0.028 0.000 0.998 493 K CB -0.067 32.417 32.500 -0.026 0.000 0.968 493 K HN 0.326 nan 8.250 nan 0.000 0.464 494 V N 0.281 120.169 119.914 -0.043 0.000 2.876 494 V HA 0.502 4.636 4.120 0.025 0.000 0.312 494 V C -0.564 175.490 176.094 -0.067 0.000 1.085 494 V CA -1.358 60.911 62.300 -0.051 0.000 0.945 494 V CB 2.022 33.817 31.823 -0.048 0.000 1.017 494 V HN 0.619 nan 8.190 nan 0.000 0.428 495 R N 2.350 122.806 120.500 -0.072 0.000 2.346 495 R HA 0.646 5.000 4.340 0.025 0.000 0.309 495 R C -0.579 175.673 176.300 -0.079 0.000 1.119 495 R CA -0.192 55.853 56.100 -0.092 0.000 1.112 495 R CB 0.993 31.224 30.300 -0.115 0.000 1.132 495 R HN 0.958 nan 8.270 nan 0.000 0.538 496 E N 2.151 122.300 120.200 -0.085 0.000 2.321 496 E HA 0.227 4.592 4.350 0.025 0.000 0.281 496 E C -1.334 175.197 176.600 -0.115 0.000 0.910 496 E CA -0.996 55.356 56.400 -0.080 0.000 0.770 496 E CB 1.551 31.211 29.700 -0.068 0.000 1.225 496 E HN 0.141 nan 8.360 nan 0.000 0.417 497 R N 1.887 122.322 120.500 -0.108 0.000 2.390 497 R HA 0.244 4.599 4.340 0.025 0.000 0.291 497 R C -0.541 175.639 176.300 -0.199 0.000 1.070 497 R CA 0.040 56.035 56.100 -0.176 0.000 1.014 497 R CB 1.228 31.484 30.300 -0.074 0.000 1.007 497 R HN 0.421 nan 8.270 nan 0.000 0.466 498 S N 4.903 120.378 115.700 -0.375 0.000 2.546 498 S HA 0.075 4.560 4.470 0.025 0.000 0.290 498 S C -1.525 173.050 174.600 -0.042 0.000 1.290 498 S CA -1.122 56.946 58.200 -0.220 0.000 1.069 498 S CB 0.603 63.625 63.200 -0.296 0.000 0.846 498 S HN 0.536 nan 8.310 nan 0.000 0.495 499 P HA -0.099 nan 4.420 nan 0.000 0.219 499 P C 1.472 178.822 177.300 0.084 0.000 1.146 499 P CA 1.165 64.286 63.100 0.035 0.000 0.808 499 P CB -0.078 31.632 31.700 0.017 0.000 0.779 500 S N -2.085 113.705 115.700 0.151 0.000 2.447 500 S HA -0.098 4.387 4.470 0.025 0.000 0.233 500 S C 1.478 176.235 174.600 0.261 0.000 1.006 500 S CA 0.788 59.107 58.200 0.199 0.000 0.957 500 S CB -1.367 61.985 63.200 0.254 0.000 0.773 500 S HN -0.017 nan 8.310 nan 0.000 0.507 501 F N 2.407 122.347 119.950 -0.017 0.000 2.780 501 F HA 0.372 4.913 4.527 0.024 0.000 0.299 501 F C 1.920 177.648 175.800 -0.120 0.000 1.146 501 F CA -0.687 57.298 58.000 -0.025 0.000 1.428 501 F CB -0.564 38.452 39.000 0.028 0.000 1.115 501 F HN 0.355 nan 8.300 nan 0.000 0.583 502 G N 0.510 109.304 108.800 -0.009 0.000 3.581 502 G HA2 0.124 4.098 3.960 0.025 0.000 0.255 502 G HA3 0.124 4.098 3.960 0.025 0.000 0.255 502 G C -0.127 174.347 174.900 -0.709 0.000 1.121 502 G CA 0.064 44.973 45.100 -0.318 0.000 1.739 502 G HN 0.037 nan 8.290 nan 0.000 0.646 503 E N 0.241 119.951 120.200 -0.817 0.000 2.263 503 E HA 0.345 4.710 4.350 0.025 0.000 0.268 503 E C -0.915 175.249 176.600 -0.727 0.000 0.884 503 E CA -0.768 55.230 56.400 -0.669 0.000 0.766 503 E CB 1.627 31.181 29.700 -0.244 0.000 1.196 503 E HN 0.223 nan 8.360 nan 0.000 0.416 504 Y N 2.563 122.668 120.300 -0.325 0.000 2.499 504 Y HA 0.206 4.771 4.550 0.025 0.000 0.253 504 Y C 0.661 176.306 175.900 -0.424 0.000 1.105 504 Y CA -0.139 57.685 58.100 -0.460 0.000 1.240 504 Y CB 0.437 38.481 38.460 -0.693 0.000 1.289 504 Y HN 0.420 nan 8.280 nan 0.000 0.534 505 Y N -1.966 118.427 120.300 0.154 0.000 2.535 505 Y HA 0.166 4.731 4.550 0.025 0.000 0.264 505 Y C 2.226 178.190 175.900 0.107 0.000 1.087 505 Y CA 0.103 58.284 58.100 0.135 0.000 1.285 505 Y CB -0.184 38.358 38.460 0.137 0.000 1.200 505 Y HN -0.133 nan 8.280 nan 0.000 0.514 506 S N -0.357 115.478 115.700 0.226 0.000 2.382 506 S HA -0.182 4.303 4.470 0.025 0.000 0.228 506 S C 1.470 176.146 174.600 0.127 0.000 1.027 506 S CA 1.697 60.010 58.200 0.189 0.000 0.991 506 S CB -0.279 63.041 63.200 0.201 0.000 0.823 506 S HN 0.488 nan 8.310 nan 0.000 0.469 507 H N 1.184 120.178 119.070 -0.127 0.000 2.363 507 H HA 0.064 4.635 4.556 0.025 0.000 0.301 507 H C -0.645 174.480 175.328 -0.337 0.000 1.074 507 H CA 0.987 56.811 56.048 -0.374 0.000 1.354 507 H CB -1.676 27.641 29.762 -0.741 0.000 1.397 507 H HN 0.305 nan 8.280 nan 0.000 0.516 508 P HA -0.195 nan 4.420 nan 0.000 0.215 508 P C 1.511 178.986 177.300 0.292 0.000 1.157 508 P CA 1.732 64.968 63.100 0.226 0.000 0.874 508 P CB 0.085 31.954 31.700 0.281 0.000 0.790 509 R N -0.468 120.160 120.500 0.213 0.000 2.073 509 R HA -0.148 4.206 4.340 0.025 0.000 0.234 509 R C 2.178 178.602 176.300 0.208 0.000 1.134 509 R CA 1.296 57.527 56.100 0.218 0.000 0.952 509 R CB -1.115 29.279 30.300 0.156 0.000 0.850 509 R HN 0.065 nan 8.270 nan 0.000 0.433 510 L N 0.459 121.744 121.223 0.104 0.000 2.079 510 L HA -0.151 4.204 4.340 0.025 0.000 0.210 510 L C 1.965 178.891 176.870 0.093 0.000 1.081 510 L CA 1.718 56.582 54.840 0.041 0.000 0.752 510 L CB -0.666 41.339 42.059 -0.090 0.000 0.896 510 L HN 0.246 nan 8.230 nan 0.000 0.433 511 F N -0.947 119.026 119.950 0.039 0.000 2.113 511 F HA -0.256 4.286 4.527 0.025 0.000 0.297 511 F C 2.318 178.124 175.800 0.011 0.000 1.103 511 F CA 2.042 60.049 58.000 0.012 0.000 1.248 511 F CB -0.615 38.424 39.000 0.065 0.000 0.999 511 F HN 0.362 nan 8.300 nan 0.000 0.475 512 W N 1.402 122.706 121.300 0.007 0.000 2.335 512 W HA -0.235 4.439 4.660 0.024 0.000 0.311 512 W C 1.644 178.051 176.519 -0.187 0.000 1.213 512 W CA 1.705 59.000 57.345 -0.084 0.000 1.274 512 W CB -0.664 28.831 29.460 0.057 0.000 1.148 512 W HN 0.077 nan 8.180 nan 0.000 0.498 513 L N 1.110 122.260 121.223 -0.123 0.000 2.376 513 L HA -0.139 4.216 4.340 0.025 0.000 0.219 513 L C 2.294 178.970 176.870 -0.323 0.000 1.133 513 L CA 0.959 55.651 54.840 -0.247 0.000 0.816 513 L CB -0.621 41.417 42.059 -0.035 0.000 0.933 513 L HN -0.136 nan 8.230 nan 0.000 0.449 514 S N -1.519 113.968 115.700 -0.355 0.000 2.558 514 S HA 0.058 4.543 4.470 0.025 0.000 0.217 514 S C 0.754 175.066 174.600 -0.480 0.000 0.975 514 S CA 0.065 58.052 58.200 -0.354 0.000 0.912 514 S CB 0.066 63.087 63.200 -0.299 0.000 0.776 514 S HN 0.286 nan 8.310 nan 0.000 0.526 515 Q N 2.131 121.544 119.800 -0.646 0.000 2.260 515 Q HA 0.305 4.660 4.340 0.025 0.000 0.238 515 Q C 0.654 176.263 176.000 -0.652 0.000 0.948 515 Q CA -0.101 55.286 55.803 -0.694 0.000 0.895 515 Q CB 0.514 28.778 28.738 -0.790 0.000 1.218 515 Q HN 0.428 nan 8.270 nan 0.000 0.470 516 T N -2.011 112.109 114.554 -0.723 0.000 2.726 516 T HA 0.175 4.540 4.350 0.025 0.000 0.294 516 T C -1.775 172.447 174.700 -0.797 0.000 1.013 516 T CA -1.267 60.354 62.100 -0.797 0.000 0.996 516 T CB 0.310 68.428 68.868 -1.251 0.000 1.016 516 T HN 0.219 nan 8.240 nan 0.000 0.529 517 P HA 0.031 nan 4.420 nan 0.000 0.217 517 P C 1.377 178.466 177.300 -0.352 0.000 1.151 517 P CA 0.830 63.702 63.100 -0.380 0.000 0.828 517 P CB -0.225 31.371 31.700 -0.173 0.000 0.788 518 F N -0.084 119.680 119.950 -0.311 0.000 2.234 518 F HA 0.002 4.544 4.527 0.024 0.000 0.299 518 F C 1.775 177.242 175.800 -0.555 0.000 1.087 518 F CA 0.944 58.699 58.000 -0.409 0.000 1.340 518 F CB -1.630 37.109 39.000 -0.435 0.000 1.031 518 F HN -0.096 nan 8.300 nan 0.000 0.500 519 E N 0.541 120.215 120.200 -0.876 0.000 2.106 519 E HA -0.199 4.166 4.350 0.025 0.000 0.192 519 E C 2.227 178.653 176.600 -0.290 0.000 0.984 519 E CA 1.314 57.413 56.400 -0.502 0.000 0.806 519 E CB -0.308 29.045 29.700 -0.579 0.000 0.750 519 E HN 0.616 nan 8.360 nan 0.000 0.458 520 Q N 0.376 119.916 119.800 -0.434 0.000 2.084 520 Q HA -0.212 4.143 4.340 0.025 0.000 0.202 520 Q C 2.259 178.298 176.000 0.064 0.000 0.978 520 Q CA 1.326 56.904 55.803 -0.375 0.000 0.844 520 Q CB -0.137 28.126 28.738 -0.792 0.000 0.898 520 Q HN 0.004 nan 8.270 nan 0.000 0.426 521 R N 0.357 120.865 120.500 0.013 0.000 2.091 521 R HA -0.162 4.193 4.340 0.025 0.000 0.238 521 R C 1.642 178.132 176.300 0.317 0.000 1.136 521 R CA 1.922 58.123 56.100 0.168 0.000 0.959 521 R CB -0.435 29.937 30.300 0.120 0.000 0.856 521 R HN 0.478 nan 8.270 nan 0.000 0.437 522 H N -0.842 118.328 119.070 0.167 0.000 2.423 522 H HA -0.004 4.567 4.556 0.025 0.000 0.297 522 H C 2.031 177.484 175.328 0.207 0.000 1.075 522 H CA 1.120 57.283 56.048 0.192 0.000 1.342 522 H CB 0.034 29.916 29.762 0.199 0.000 1.395 522 H HN 0.187 nan 8.280 nan 0.000 0.530 523 I N 0.246 121.040 120.570 0.374 0.000 2.179 523 I HA -0.269 3.916 4.170 0.025 0.000 0.242 523 I C 2.312 178.731 176.117 0.502 0.000 1.088 523 I CA 0.908 62.468 61.300 0.433 0.000 1.357 523 I CB -0.165 38.192 38.000 0.595 0.000 1.051 523 I HN 0.083 nan 8.210 nan 0.000 0.409 524 V N 0.763 120.960 119.914 0.472 0.000 2.343 524 V HA -0.308 3.827 4.120 0.025 0.000 0.247 524 V C 2.024 178.302 176.094 0.307 0.000 1.051 524 V CA 2.054 64.581 62.300 0.379 0.000 1.036 524 V CB -0.666 31.332 31.823 0.292 0.000 0.654 524 V HN 0.410 nan 8.190 nan 0.000 0.451 525 D N 0.406 120.969 120.400 0.272 0.000 2.178 525 D HA -0.086 4.568 4.640 0.025 0.000 0.202 525 D C 2.167 178.553 176.300 0.143 0.000 0.974 525 D CA 1.484 55.609 54.000 0.208 0.000 0.841 525 D CB -0.515 40.412 40.800 0.212 0.000 0.953 525 D HN 0.475 nan 8.370 nan 0.000 0.478 526 G N 0.016 108.882 108.800 0.110 0.000 2.404 526 G HA2 -0.241 3.734 3.960 0.025 0.000 0.215 526 G HA3 -0.241 3.734 3.960 0.025 0.000 0.215 526 G C 1.441 176.339 174.900 -0.004 0.000 1.174 526 G CA 0.136 45.207 45.100 -0.048 0.000 0.780 526 G HN 0.151 nan 8.290 nan 0.000 0.537 527 F N 1.968 121.961 119.950 0.071 0.000 2.120 527 F HA -0.120 4.422 4.527 0.025 0.000 0.300 527 F C 3.160 178.874 175.800 -0.143 0.000 1.095 527 F CA 1.721 59.695 58.000 -0.043 0.000 1.249 527 F CB -0.390 38.601 39.000 -0.016 0.000 0.995 527 F HN 0.097 nan 8.300 nan 0.000 0.480 528 S N -0.405 115.390 115.700 0.158 0.000 2.368 528 S HA -0.180 4.305 4.470 0.025 0.000 0.224 528 S C 1.868 176.474 174.600 0.011 0.000 1.029 528 S CA 1.079 59.314 58.200 0.058 0.000 0.988 528 S CB -0.767 62.493 63.200 0.100 0.000 0.838 528 S HN 0.395 nan 8.310 nan 0.000 0.462 529 F N 2.525 122.429 119.950 -0.076 0.000 2.113 529 F HA -0.077 4.464 4.527 0.024 0.000 0.297 529 F C 2.369 178.092 175.800 -0.127 0.000 1.103 529 F CA 1.429 59.369 58.000 -0.100 0.000 1.248 529 F CB -0.192 38.677 39.000 -0.219 0.000 0.999 529 F HN 0.116 nan 8.300 nan 0.000 0.475 530 E N 0.553 120.708 120.200 -0.074 0.000 2.047 530 E HA -0.186 4.178 4.350 0.025 0.000 0.191 530 E C 2.339 178.721 176.600 -0.362 0.000 0.987 530 E CA 1.492 57.816 56.400 -0.128 0.000 0.799 530 E CB -0.493 29.282 29.700 0.125 0.000 0.752 530 E HN 0.464 nan 8.360 nan 0.000 0.449 531 L N 1.452 122.374 121.223 -0.501 0.000 2.265 531 L HA -0.148 4.207 4.340 0.025 0.000 0.215 531 L C 2.668 179.356 176.870 -0.303 0.000 1.117 531 L CA 1.096 55.628 54.840 -0.512 0.000 0.782 531 L CB -0.442 41.342 42.059 -0.459 0.000 0.914 531 L HN 0.140 nan 8.230 nan 0.000 0.441 532 S N -0.850 114.681 115.700 -0.281 0.000 2.453 532 S HA -0.079 4.406 4.470 0.025 0.000 0.231 532 S C 1.746 176.212 174.600 -0.223 0.000 1.005 532 S CA 0.429 58.493 58.200 -0.228 0.000 0.949 532 S CB -0.051 63.014 63.200 -0.225 0.000 0.774 532 S HN 0.266 nan 8.310 nan 0.000 0.510 533 K N 1.325 121.565 120.400 -0.266 0.000 2.444 533 K HA 0.321 4.655 4.320 0.025 0.000 0.193 533 K C -0.087 176.498 176.600 -0.026 0.000 1.024 533 K CA 0.004 56.206 56.287 -0.142 0.000 1.077 533 K CB -0.029 32.388 32.500 -0.139 0.000 0.833 533 K HN 0.317 nan 8.250 nan 0.000 0.517 534 V N 2.061 121.936 119.914 -0.066 0.000 2.408 534 V HA 0.016 4.151 4.120 0.025 0.000 0.267 534 V C 1.639 177.713 176.094 -0.033 0.000 1.047 534 V CA -0.116 62.174 62.300 -0.017 0.000 0.937 534 V CB 1.458 33.233 31.823 -0.079 0.000 0.999 534 V HN -0.130 nan 8.190 nan 0.000 0.472 535 V N 5.136 125.055 119.914 0.008 0.000 2.488 535 V HA 0.001 4.135 4.120 0.025 0.000 0.246 535 V C 1.301 177.382 176.094 -0.022 0.000 1.046 535 V CA 1.128 63.432 62.300 0.006 0.000 1.053 535 V CB -0.427 31.419 31.823 0.038 0.000 0.679 535 V HN 0.739 nan 8.190 nan 0.000 0.458 536 R N 1.005 121.469 120.500 -0.061 0.000 2.242 536 R HA 0.184 4.539 4.340 0.025 0.000 0.334 536 R C -1.714 174.481 176.300 -0.175 0.000 1.071 536 R CA -1.404 54.639 56.100 -0.095 0.000 0.922 536 R CB 0.696 30.879 30.300 -0.194 0.000 1.023 536 R HN 0.235 nan 8.270 nan 0.000 0.458 537 P HA -0.186 nan 4.420 nan 0.000 0.220 537 P C 0.730 177.994 177.300 -0.060 0.000 1.148 537 P CA 1.043 64.113 63.100 -0.050 0.000 0.803 537 P CB -0.005 31.701 31.700 0.009 0.000 0.782 538 Y N -1.047 119.251 120.300 -0.003 0.000 2.315 538 Y HA -0.130 4.434 4.550 0.024 0.000 0.288 538 Y C 1.915 177.819 175.900 0.006 0.000 1.154 538 Y CA 0.847 58.946 58.100 -0.001 0.000 1.229 538 Y CB -1.782 36.678 38.460 0.000 0.000 0.980 538 Y HN -0.109 nan 8.280 nan 0.000 0.540 539 I N 0.738 120.895 120.570 -0.688 0.000 2.252 539 I HA -0.229 3.955 4.170 0.025 0.000 0.245 539 I C 2.579 178.602 176.117 -0.157 0.000 1.102 539 I CA 1.319 62.377 61.300 -0.403 0.000 1.385 539 I CB -0.418 37.330 38.000 -0.420 0.000 1.064 539 I HN 0.179 nan 8.210 nan 0.000 0.414 540 R N 0.922 121.321 120.500 -0.168 0.000 2.083 540 R HA -0.200 4.155 4.340 0.025 0.000 0.237 540 R C 2.166 178.414 176.300 -0.086 0.000 1.137 540 R CA 1.664 57.679 56.100 -0.141 0.000 0.951 540 R CB -0.464 29.753 30.300 -0.138 0.000 0.851 540 R HN 0.468 nan 8.270 nan 0.000 0.434 541 E N 0.441 120.612 120.200 -0.048 0.000 2.058 541 E HA -0.201 4.164 4.350 0.025 0.000 0.194 541 E C 2.163 178.767 176.600 0.007 0.000 0.997 541 E CA 1.179 57.572 56.400 -0.011 0.000 0.801 541 E CB -0.100 29.618 29.700 0.029 0.000 0.746 541 E HN 0.296 nan 8.360 nan 0.000 0.450 542 R N 0.390 120.910 120.500 0.033 0.000 2.096 542 R HA -0.122 4.233 4.340 0.025 0.000 0.235 542 R C 2.439 178.763 176.300 0.040 0.000 1.127 542 R CA 1.160 57.292 56.100 0.053 0.000 0.968 542 R CB -0.331 30.021 30.300 0.086 0.000 0.861 542 R HN 0.056 nan 8.270 nan 0.000 0.440 543 V N 0.278 120.210 119.914 0.030 0.000 2.358 543 V HA -0.200 3.935 4.120 0.025 0.000 0.246 543 V C 2.282 178.360 176.094 -0.026 0.000 1.047 543 V CA 1.489 63.820 62.300 0.053 0.000 1.035 543 V CB -0.281 31.593 31.823 0.086 0.000 0.658 543 V HN 0.132 nan 8.190 nan 0.000 0.452 544 V N 0.490 120.363 119.914 -0.067 0.000 2.332 544 V HA -0.328 3.807 4.120 0.025 0.000 0.248 544 V C 2.319 178.372 176.094 -0.068 0.000 1.055 544 V CA 2.508 64.745 62.300 -0.106 0.000 1.038 544 V CB -0.698 31.066 31.823 -0.098 0.000 0.651 544 V HN 0.656 nan 8.190 nan 0.000 0.450 545 D N -0.561 119.832 120.400 -0.012 0.000 2.133 545 D HA -0.235 4.420 4.640 0.025 0.000 0.195 545 D C 2.271 178.647 176.300 0.126 0.000 0.997 545 D CA 1.632 55.659 54.000 0.044 0.000 0.840 545 D CB -0.057 40.787 40.800 0.073 0.000 0.947 545 D HN 0.535 nan 8.370 nan 0.000 0.452 546 Q N -0.503 119.342 119.800 0.075 0.000 2.079 546 Q HA -0.070 4.285 4.340 0.025 0.000 0.200 546 Q C 2.483 178.500 176.000 0.028 0.000 0.974 546 Q CA 0.723 56.577 55.803 0.085 0.000 0.840 546 Q CB -0.067 28.738 28.738 0.113 0.000 0.898 546 Q HN 0.403 nan 8.270 nan 0.000 0.430 547 L N 0.215 121.391 121.223 -0.078 0.000 2.127 547 L HA -0.189 4.166 4.340 0.025 0.000 0.211 547 L C 2.341 179.089 176.870 -0.204 0.000 1.089 547 L CA 0.914 55.627 54.840 -0.211 0.000 0.757 547 L CB -0.591 41.239 42.059 -0.382 0.000 0.899 547 L HN 0.220 nan 8.230 nan 0.000 0.434 548 A N -1.056 121.671 122.820 -0.155 0.000 2.119 548 A HA -0.160 4.174 4.320 0.025 0.000 0.217 548 A C 1.668 179.069 177.584 -0.305 0.000 1.153 548 A CA 0.928 52.836 52.037 -0.215 0.000 0.692 548 A CB -0.663 18.218 19.000 -0.200 0.000 0.799 548 A HN 0.440 nan 8.150 nan 0.000 0.458 549 H N -1.237 117.614 119.070 -0.365 0.000 2.548 549 H HA 0.282 4.853 4.556 0.025 0.000 0.265 549 H C 1.494 176.511 175.328 -0.518 0.000 0.969 549 H CA 0.883 56.569 56.048 -0.603 0.000 1.155 549 H CB 0.119 29.115 29.762 -1.277 0.000 1.394 549 H HN 0.498 nan 8.280 nan 0.000 0.570 550 I N -1.264 119.190 120.570 -0.194 0.000 2.899 550 I HA 0.105 4.290 4.170 0.025 0.000 0.257 550 I C -0.168 175.875 176.117 -0.124 0.000 1.115 550 I CA 0.349 61.609 61.300 -0.066 0.000 1.451 550 I CB 0.746 38.733 38.000 -0.021 0.000 1.251 550 I HN 0.085 nan 8.210 nan 0.000 0.456 551 D N -0.693 119.562 120.400 -0.242 0.000 2.878 551 D HA 0.196 4.851 4.640 0.025 0.000 0.211 551 D C 0.287 176.418 176.300 -0.282 0.000 1.271 551 D CA -0.383 53.459 54.000 -0.264 0.000 0.845 551 D CB 1.362 41.889 40.800 -0.454 0.000 1.679 551 D HN -0.157 nan 8.370 nan 0.000 0.536 552 L N 2.353 123.472 121.223 -0.173 0.000 2.093 552 L HA -0.062 4.292 4.340 0.025 0.000 0.208 552 L C 1.714 178.503 176.870 -0.134 0.000 1.085 552 L CA 1.644 56.395 54.840 -0.147 0.000 0.755 552 L CB -0.806 41.197 42.059 -0.093 0.000 0.904 552 L HN 0.626 nan 8.230 nan 0.000 0.435 553 T N 0.300 114.801 114.554 -0.088 0.000 2.737 553 T HA -0.190 4.175 4.350 0.025 0.000 0.265 553 T C 1.848 176.482 174.700 -0.109 0.000 1.038 553 T CA 1.266 63.358 62.100 -0.013 0.000 1.144 553 T CB -0.303 68.653 68.868 0.148 0.000 0.866 553 T HN 0.173 nan 8.240 nan 0.000 0.434 554 L N 1.778 122.766 121.223 -0.391 0.000 1.989 554 L HA -0.025 4.330 4.340 0.025 0.000 0.211 554 L C 2.617 179.251 176.870 -0.393 0.000 1.071 554 L CA 2.188 56.637 54.840 -0.653 0.000 0.749 554 L CB -1.133 40.132 42.059 -1.322 0.000 0.890 554 L HN 0.219 nan 8.230 nan 0.000 0.431 555 A N -1.134 121.472 122.820 -0.357 0.000 1.908 555 A HA -0.278 4.057 4.320 0.025 0.000 0.218 555 A C 2.235 179.715 177.584 -0.174 0.000 1.181 555 A CA 2.003 53.879 52.037 -0.269 0.000 0.627 555 A CB -0.690 18.173 19.000 -0.229 0.000 0.818 555 A HN 0.707 nan 8.150 nan 0.000 0.445 556 Q N -0.944 118.777 119.800 -0.131 0.000 2.119 556 Q HA -0.078 4.277 4.340 0.025 0.000 0.201 556 Q C 2.425 178.396 176.000 -0.049 0.000 0.972 556 Q CA 1.281 57.038 55.803 -0.076 0.000 0.847 556 Q CB -0.330 28.378 28.738 -0.050 0.000 0.903 556 Q HN 0.702 nan 8.270 nan 0.000 0.433 557 A N 0.101 122.897 122.820 -0.040 0.000 1.898 557 A HA -0.106 4.229 4.320 0.025 0.000 0.216 557 A C 2.275 179.859 177.584 0.001 0.000 1.181 557 A CA 1.105 53.148 52.037 0.010 0.000 0.620 557 A CB -0.504 18.535 19.000 0.065 0.000 0.819 557 A HN 0.198 nan 8.150 nan 0.000 0.442 558 V N -0.039 119.845 119.914 -0.048 0.000 2.307 558 V HA -0.214 3.920 4.120 0.025 0.000 0.245 558 V C 3.067 179.128 176.094 -0.055 0.000 1.045 558 V CA 1.783 64.053 62.300 -0.049 0.000 1.024 558 V CB -1.323 30.419 31.823 -0.135 0.000 0.651 558 V HN 0.598 nan 8.190 nan 0.000 0.449 559 A N 0.011 122.786 122.820 -0.076 0.000 1.892 559 A HA -0.340 3.994 4.320 0.025 0.000 0.218 559 A C 2.354 179.918 177.584 -0.033 0.000 1.188 559 A CA 2.565 54.566 52.037 -0.061 0.000 0.631 559 A CB -0.582 18.380 19.000 -0.064 0.000 0.822 559 A HN 0.542 nan 8.150 nan 0.000 0.447 560 K N -0.668 119.721 120.400 -0.019 0.000 2.057 560 K HA -0.192 4.142 4.320 0.025 0.000 0.207 560 K C 1.611 178.216 176.600 0.007 0.000 1.049 560 K CA 1.575 57.862 56.287 -0.001 0.000 0.931 560 K CB -0.234 32.272 32.500 0.011 0.000 0.714 560 K HN 0.428 nan 8.250 nan 0.000 0.440 561 N N 0.840 119.549 118.700 0.015 0.000 2.364 561 N HA -0.126 4.628 4.740 0.025 0.000 0.183 561 N C 1.340 176.853 175.510 0.005 0.000 1.022 561 N CA 0.896 53.960 53.050 0.025 0.000 0.883 561 N CB 0.012 38.526 38.487 0.045 0.000 0.965 561 N HN 0.275 nan 8.380 nan 0.000 0.438 562 L N -0.643 120.570 121.223 -0.016 0.000 2.607 562 L HA 0.218 4.572 4.340 0.025 0.000 0.228 562 L C 0.933 177.788 176.870 -0.024 0.000 1.123 562 L CA -0.092 54.729 54.840 -0.033 0.000 0.890 562 L CB -0.228 41.796 42.059 -0.058 0.000 1.103 562 L HN 0.098 nan 8.230 nan 0.000 0.468 563 G N 1.579 110.371 108.800 -0.013 0.000 2.249 563 G HA2 -0.298 3.677 3.960 0.025 0.000 0.273 563 G HA3 -0.298 3.677 3.960 0.025 0.000 0.273 563 G C 0.059 174.951 174.900 -0.014 0.000 1.036 563 G CA 0.217 45.312 45.100 -0.009 0.000 0.824 563 G HN 0.353 nan 8.290 nan 0.000 0.504 564 I N -0.236 120.321 120.570 -0.021 0.000 2.441 564 I HA 0.430 4.615 4.170 0.025 0.000 0.295 564 I C 0.244 176.346 176.117 -0.025 0.000 0.994 564 I CA -0.722 60.563 61.300 -0.024 0.000 1.144 564 I CB 1.918 39.897 38.000 -0.036 0.000 1.314 564 I HN 0.192 nan 8.210 nan 0.000 0.445 565 E N 6.785 126.972 120.200 -0.021 0.000 2.145 565 E HA 0.413 4.777 4.350 0.025 0.000 0.270 565 E C -1.056 175.527 176.600 -0.028 0.000 0.906 565 E CA -0.730 55.657 56.400 -0.022 0.000 0.761 565 E CB 1.261 30.952 29.700 -0.015 0.000 1.116 565 E HN 0.492 nan 8.360 nan 0.000 0.408 566 L N 3.792 124.993 121.223 -0.037 0.000 2.490 566 L HA 0.087 4.442 4.340 0.025 0.000 0.274 566 L C 1.067 177.915 176.870 -0.037 0.000 1.201 566 L CA -0.098 54.715 54.840 -0.045 0.000 0.869 566 L CB 0.206 42.229 42.059 -0.059 0.000 1.123 566 L HN 0.679 nan 8.230 nan 0.000 0.484 567 T N -2.051 112.482 114.554 -0.036 0.000 2.856 567 T HA 0.018 4.383 4.350 0.025 0.000 0.306 567 T C 0.855 175.533 174.700 -0.037 0.000 1.062 567 T CA -0.782 61.300 62.100 -0.030 0.000 1.083 567 T CB 0.964 69.817 68.868 -0.025 0.000 0.984 567 T HN 0.519 nan 8.240 nan 0.000 0.542 568 D N 0.902 121.283 120.400 -0.031 0.000 2.158 568 D HA -0.110 4.545 4.640 0.025 0.000 0.197 568 D C 1.614 177.888 176.300 -0.043 0.000 0.995 568 D CA 1.300 55.280 54.000 -0.033 0.000 0.846 568 D CB -0.282 40.503 40.800 -0.025 0.000 0.941 568 D HN 0.633 nan 8.370 nan 0.000 0.456 569 D N 0.465 120.840 120.400 -0.042 0.000 2.104 569 D HA -0.131 4.523 4.640 0.025 0.000 0.194 569 D C 2.140 178.390 176.300 -0.083 0.000 0.994 569 D CA 0.856 54.825 54.000 -0.052 0.000 0.830 569 D CB -0.282 40.495 40.800 -0.037 0.000 0.959 569 D HN 0.331 nan 8.370 nan 0.000 0.452 570 Q N -0.236 119.512 119.800 -0.086 0.000 2.170 570 Q HA -0.035 4.320 4.340 0.025 0.000 0.203 570 Q C 2.321 178.242 176.000 -0.131 0.000 0.976 570 Q CA 0.550 56.277 55.803 -0.127 0.000 0.858 570 Q CB -0.047 28.631 28.738 -0.099 0.000 0.907 570 Q HN 0.327 nan 8.270 nan 0.000 0.433 571 L N 0.628 121.795 121.223 -0.093 0.000 2.362 571 L HA -0.123 4.231 4.340 0.025 0.000 0.219 571 L C 1.161 177.981 176.870 -0.084 0.000 1.134 571 L CA 0.480 55.271 54.840 -0.082 0.000 0.807 571 L CB -0.123 41.901 42.059 -0.057 0.000 0.927 571 L HN 0.252 nan 8.230 nan 0.000 0.447 572 N N -0.302 118.344 118.700 -0.090 0.000 2.203 572 N HA 0.238 4.993 4.740 0.025 0.000 0.207 572 N C 0.333 175.782 175.510 -0.103 0.000 1.130 572 N CA -0.004 52.999 53.050 -0.079 0.000 0.861 572 N CB 0.742 39.194 38.487 -0.058 0.000 1.005 572 N HN 0.199 nan 8.380 nan 0.000 0.507 573 I N 1.760 122.233 120.570 -0.161 0.000 2.668 573 I HA -0.081 4.104 4.170 0.025 0.000 0.285 573 I C 1.235 177.259 176.117 -0.155 0.000 1.168 573 I CA 0.295 61.465 61.300 -0.217 0.000 1.424 573 I CB 0.433 38.165 38.000 -0.446 0.000 1.377 573 I HN -0.036 nan 8.210 nan 0.000 0.560 574 T N 7.228 121.721 114.554 -0.102 0.000 2.884 574 T HA 0.347 4.712 4.350 0.025 0.000 0.298 574 T C -1.977 172.690 174.700 -0.054 0.000 0.998 574 T CA -1.467 60.598 62.100 -0.059 0.000 1.124 574 T CB 0.928 69.781 68.868 -0.025 0.000 0.931 574 T HN 0.369 nan 8.240 nan 0.000 0.531 575 P HA 0.307 nan 4.420 nan 0.000 0.272 575 P C -2.465 174.853 177.300 0.031 0.000 1.240 575 P CA -1.391 61.698 63.100 -0.018 0.000 0.791 575 P CB -0.456 31.243 31.700 -0.002 0.000 0.978 576 P HA 0.279 nan 4.420 nan 0.000 0.274 576 P C -2.533 174.824 177.300 0.096 0.000 1.246 576 P CA -1.435 61.737 63.100 0.121 0.000 0.795 576 P CB -1.030 30.791 31.700 0.201 0.000 1.006 577 P HA 0.109 nan 4.420 nan 0.000 0.272 577 P C -0.229 177.122 177.300 0.084 0.000 1.230 577 P CA 0.107 63.255 63.100 0.080 0.000 0.788 577 P CB 0.089 31.838 31.700 0.083 0.000 0.949 578 D N -0.133 120.308 120.400 0.069 0.000 2.429 578 D HA -0.011 4.644 4.640 0.025 0.000 0.233 578 D C -0.128 176.222 176.300 0.083 0.000 1.202 578 D CA 0.388 54.426 54.000 0.064 0.000 0.879 578 D CB 0.202 41.034 40.800 0.054 0.000 1.212 578 D HN -0.052 nan 8.370 nan 0.000 0.465 579 V N 2.678 122.632 119.914 0.068 0.000 2.334 579 V HA 0.070 4.205 4.120 0.025 0.000 0.267 579 V C 0.248 176.437 176.094 0.158 0.000 1.040 579 V CA -0.494 61.878 62.300 0.120 0.000 0.866 579 V CB -0.056 31.753 31.823 -0.022 0.000 1.019 579 V HN 0.604 nan 8.190 nan 0.000 0.468 580 N N 4.455 123.263 118.700 0.180 0.000 2.716 580 N HA -0.229 4.526 4.740 0.025 0.000 0.250 580 N C 1.156 176.725 175.510 0.098 0.000 1.033 580 N CA 1.097 54.233 53.050 0.143 0.000 0.727 580 N CB -0.875 37.737 38.487 0.208 0.000 0.950 580 N HN 1.295 nan 8.380 nan 0.000 0.541 581 G N -2.702 106.144 108.800 0.077 0.000 2.179 581 G HA2 -0.314 3.660 3.960 0.025 0.000 0.260 581 G HA3 -0.314 3.660 3.960 0.025 0.000 0.260 581 G C -0.065 174.865 174.900 0.049 0.000 0.977 581 G CA 0.167 45.299 45.100 0.054 0.000 0.641 581 G HN 0.331 nan 8.290 nan 0.000 0.533 582 L N 0.280 121.537 121.223 0.056 0.000 2.331 582 L HA 0.530 4.885 4.340 0.025 0.000 0.278 582 L C 1.325 178.210 176.870 0.025 0.000 1.106 582 L CA 0.361 55.224 54.840 0.039 0.000 0.824 582 L CB 1.388 43.471 42.059 0.040 0.000 1.142 582 L HN 0.208 nan 8.230 nan 0.000 0.443 583 K N 2.636 123.044 120.400 0.014 0.000 2.358 583 K HA 0.162 4.497 4.320 0.025 0.000 0.200 583 K C -0.413 176.178 176.600 -0.014 0.000 1.030 583 K CA 0.110 56.401 56.287 0.007 0.000 1.097 583 K CB 0.478 32.982 32.500 0.007 0.000 0.862 583 K HN 0.620 nan 8.250 nan 0.000 0.534 584 K N -0.575 119.812 120.400 -0.022 0.000 2.685 584 K HA 0.256 4.591 4.320 0.025 0.000 0.290 584 K C -2.085 174.496 176.600 -0.033 0.000 1.018 584 K CA -1.039 55.218 56.287 -0.051 0.000 0.860 584 K CB 1.294 33.745 32.500 -0.082 0.000 1.498 584 K HN -0.250 nan 8.250 nan 0.000 0.390 585 D N 1.249 121.623 120.400 -0.044 0.000 2.478 585 D HA 0.311 4.966 4.640 0.025 0.000 0.240 585 D C -2.224 174.055 176.300 -0.034 0.000 1.364 585 D CA -2.024 51.968 54.000 -0.013 0.000 0.987 585 D CB 2.201 43.015 40.800 0.024 0.000 1.328 585 D HN 0.235 nan 8.370 nan 0.000 0.584 586 P HA -0.099 nan 4.420 nan 0.000 0.222 586 P C 1.296 178.585 177.300 -0.020 0.000 1.147 586 P CA 0.856 63.924 63.100 -0.054 0.000 0.790 586 P CB 0.216 31.898 31.700 -0.030 0.000 0.780 587 S N -1.102 114.619 115.700 0.035 0.000 2.507 587 S HA -0.062 4.422 4.470 0.025 0.000 0.235 587 S C 1.678 176.358 174.600 0.134 0.000 0.988 587 S CA 0.757 59.014 58.200 0.095 0.000 0.944 587 S CB -1.400 61.882 63.200 0.137 0.000 0.762 587 S HN 0.144 nan 8.310 nan 0.000 0.526 588 L N 1.180 122.442 121.223 0.065 0.000 2.418 588 L HA 0.172 4.527 4.340 0.025 0.000 0.218 588 L C 1.560 178.320 176.870 -0.183 0.000 1.125 588 L CA 0.199 55.061 54.840 0.037 0.000 0.835 588 L CB -0.421 41.646 42.059 0.012 0.000 0.953 588 L HN 0.321 nan 8.230 nan 0.000 0.454 589 S N -0.272 115.307 115.700 -0.201 0.000 2.584 589 S HA 0.252 4.737 4.470 0.025 0.000 0.273 589 S C 1.117 175.597 174.600 -0.200 0.000 1.311 589 S CA -0.594 57.437 58.200 -0.283 0.000 1.034 589 S CB 1.202 64.240 63.200 -0.269 0.000 0.939 589 S HN 0.168 nan 8.310 nan 0.000 0.513 590 L N 3.298 124.323 121.223 -0.330 0.000 2.156 590 L HA 0.004 4.359 4.340 0.025 0.000 0.208 590 L C 0.845 177.450 176.870 -0.441 0.000 1.095 590 L CA 1.117 55.661 54.840 -0.492 0.000 0.770 590 L CB -0.269 41.175 42.059 -1.026 0.000 0.914 590 L HN 0.758 nan 8.230 nan 0.000 0.439 591 Y N -2.411 117.885 120.300 -0.006 0.000 2.425 591 Y HA 0.330 4.895 4.550 0.024 0.000 0.261 591 Y C 2.170 178.093 175.900 0.037 0.000 1.084 591 Y CA -0.212 57.934 58.100 0.077 0.000 1.248 591 Y CB -0.467 38.070 38.460 0.128 0.000 1.270 591 Y HN -0.061 nan 8.280 nan 0.000 0.524 592 A N 0.745 123.592 122.820 0.045 0.000 1.948 592 A HA -0.079 4.256 4.320 0.025 0.000 0.220 592 A C 0.928 178.544 177.584 0.053 0.000 1.177 592 A CA 1.188 53.224 52.037 -0.002 0.000 0.636 592 A CB -0.724 18.218 19.000 -0.097 0.000 0.815 592 A HN 0.283 nan 8.150 nan 0.000 0.449 593 I N 1.552 122.162 120.570 0.067 0.000 2.355 593 I HA 0.242 4.427 4.170 0.025 0.000 0.288 593 I C -2.337 173.852 176.117 0.119 0.000 0.999 593 I CA -2.260 59.088 61.300 0.080 0.000 1.163 593 I CB 1.594 39.628 38.000 0.057 0.000 1.316 593 I HN 0.097 nan 8.210 nan 0.000 0.454 594 P HA 0.045 nan 4.420 nan 0.000 0.265 594 P C -0.616 176.759 177.300 0.125 0.000 1.193 594 P CA 0.208 63.401 63.100 0.155 0.000 0.765 594 P CB 0.737 32.516 31.700 0.130 0.000 0.823 595 D N 0.932 121.415 120.400 0.139 0.000 2.785 595 D HA 0.146 4.801 4.640 0.025 0.000 0.324 595 D C 0.529 176.892 176.300 0.104 0.000 1.523 595 D CA -0.488 53.577 54.000 0.107 0.000 0.789 595 D CB -0.449 40.410 40.800 0.099 0.000 1.171 595 D HN 0.332 nan 8.370 nan 0.000 0.447 596 G N 0.014 108.883 108.800 0.115 0.000 2.544 596 G HA2 0.383 4.358 3.960 0.025 0.000 0.242 596 G HA3 0.383 4.358 3.960 0.025 0.000 0.242 596 G C -0.666 174.275 174.900 0.067 0.000 1.247 596 G CA -0.051 45.112 45.100 0.105 0.000 0.840 596 G HN 0.192 nan 8.290 nan 0.000 0.578 597 D N 0.232 120.664 120.400 0.054 0.000 2.970 597 D HA 0.178 4.833 4.640 0.025 0.000 0.230 597 D C 0.816 177.132 176.300 0.025 0.000 1.276 597 D CA -0.537 53.481 54.000 0.030 0.000 0.910 597 D CB 1.924 42.736 40.800 0.019 0.000 1.590 597 D HN 0.338 nan 8.370 nan 0.000 0.551 598 V N 1.616 121.537 119.914 0.010 0.000 3.506 598 V HA 0.284 4.419 4.120 0.025 0.000 0.263 598 V C 0.999 177.078 176.094 -0.024 0.000 1.203 598 V CA 0.076 62.378 62.300 0.003 0.000 1.133 598 V CB -0.562 31.258 31.823 -0.006 0.000 0.802 598 V HN 0.404 nan 8.190 nan 0.000 0.459 599 K N 1.353 121.732 120.400 -0.036 0.000 2.416 599 K HA 0.411 4.746 4.320 0.025 0.000 0.283 599 K C 1.235 177.802 176.600 -0.056 0.000 1.037 599 K CA 1.054 57.298 56.287 -0.071 0.000 0.995 599 K CB 0.208 32.672 32.500 -0.060 0.000 0.938 599 K HN 0.665 nan 8.250 nan 0.000 0.475 600 G N 3.262 112.003 108.800 -0.097 0.000 2.213 600 G HA2 -0.209 3.765 3.960 0.025 0.000 0.236 600 G HA3 -0.209 3.765 3.960 0.025 0.000 0.236 600 G C 0.070 175.034 174.900 0.107 0.000 0.991 600 G CA -0.300 44.828 45.100 0.046 0.000 0.629 600 G HN 0.565 nan 8.290 nan 0.000 0.517 601 R N -0.028 120.497 120.500 0.042 0.000 2.801 601 R HA 0.647 5.001 4.340 0.025 0.000 0.273 601 R C 0.126 176.488 176.300 0.104 0.000 1.080 601 R CA 0.081 56.230 56.100 0.083 0.000 1.197 601 R CB 0.798 31.136 30.300 0.063 0.000 1.109 601 R HN 0.730 nan 8.270 nan 0.000 0.535 602 V N 0.327 120.318 119.914 0.128 0.000 2.971 602 V HA 0.489 4.624 4.120 0.025 0.000 0.309 602 V C -1.172 174.990 176.094 0.113 0.000 1.130 602 V CA -0.735 61.654 62.300 0.148 0.000 0.964 602 V CB 2.581 34.518 31.823 0.190 0.000 1.029 602 V HN 0.356 nan 8.190 nan 0.000 0.427 603 V N 5.240 125.215 119.914 0.101 0.000 2.604 603 V HA 0.832 4.966 4.120 0.025 0.000 0.305 603 V C 0.377 176.527 176.094 0.094 0.000 1.043 603 V CA -0.191 62.158 62.300 0.082 0.000 0.888 603 V CB 1.766 33.623 31.823 0.056 0.000 0.995 603 V HN 1.205 nan 8.190 nan 0.000 0.429 604 A N 5.684 128.567 122.820 0.105 0.000 2.331 604 A HA 0.821 5.156 4.320 0.025 0.000 0.283 604 A C -0.542 177.057 177.584 0.024 0.000 1.142 604 A CA -0.272 51.812 52.037 0.079 0.000 0.812 604 A CB 0.196 19.272 19.000 0.128 0.000 1.074 604 A HN 0.762 nan 8.150 nan 0.000 0.497 605 I N 3.208 123.781 120.570 0.006 0.000 2.410 605 I HA 0.209 4.393 4.170 0.025 0.000 0.286 605 I C -0.691 175.431 176.117 0.008 0.000 1.009 605 I CA -0.203 61.103 61.300 0.011 0.000 1.111 605 I CB 1.521 39.539 38.000 0.029 0.000 1.262 605 I HN 0.489 nan 8.210 nan 0.000 0.443 606 L N 7.200 128.422 121.223 -0.003 0.000 2.295 606 L HA 0.397 4.752 4.340 0.025 0.000 0.288 606 L C 0.067 177.036 176.870 0.165 0.000 1.079 606 L CA -0.406 54.493 54.840 0.098 0.000 0.830 606 L CB 0.119 42.108 42.059 -0.116 0.000 1.200 606 L HN 0.430 nan 8.230 nan 0.000 0.438 607 L N 3.581 124.936 121.223 0.219 0.000 2.452 607 L HA 0.153 4.508 4.340 0.025 0.000 0.267 607 L C 0.281 177.318 176.870 0.279 0.000 1.188 607 L CA -0.124 54.800 54.840 0.140 0.000 0.821 607 L CB 0.640 42.680 42.059 -0.032 0.000 1.102 607 L HN 0.713 nan 8.230 nan 0.000 0.470 608 N N -1.406 117.366 118.700 0.119 0.000 2.545 608 N HA 0.221 4.976 4.740 0.025 0.000 0.289 608 N C -0.128 175.349 175.510 -0.054 0.000 1.279 608 N CA -0.778 52.381 53.050 0.181 0.000 0.824 608 N CB 0.683 39.276 38.487 0.175 0.000 1.395 608 N HN 0.539 nan 8.380 nan 0.000 0.526 609 D N -1.743 118.669 120.400 0.020 0.000 2.363 609 D HA -0.085 4.570 4.640 0.025 0.000 0.226 609 D C -0.415 175.851 176.300 -0.058 0.000 1.020 609 D CA 0.820 54.772 54.000 -0.079 0.000 0.892 609 D CB -0.082 40.746 40.800 0.046 0.000 0.900 609 D HN 0.741 nan 8.370 nan 0.000 0.531 610 E N 0.578 120.761 120.200 -0.028 0.000 3.284 610 E HA 0.212 4.577 4.350 0.025 0.000 0.277 610 E C -1.171 175.416 176.600 -0.022 0.000 1.218 610 E CA -0.362 56.022 56.400 -0.027 0.000 0.925 610 E CB 1.186 30.878 29.700 -0.012 0.000 1.409 610 E HN -0.122 nan 8.360 nan 0.000 0.388 611 V N 2.136 122.028 119.914 -0.036 0.000 2.740 611 V HA 0.095 4.230 4.120 0.025 0.000 0.303 611 V C 0.938 177.016 176.094 -0.027 0.000 1.054 611 V CA 0.105 62.389 62.300 -0.026 0.000 1.106 611 V CB 1.007 32.808 31.823 -0.037 0.000 0.957 611 V HN 0.479 nan 8.190 nan 0.000 0.486 612 R N 2.898 123.383 120.500 -0.026 0.000 2.357 612 R HA 0.059 4.414 4.340 0.025 0.000 0.330 612 R C 1.507 177.785 176.300 -0.037 0.000 1.102 612 R CA 0.467 56.547 56.100 -0.033 0.000 0.974 612 R CB 0.393 30.669 30.300 -0.040 0.000 1.002 612 R HN 1.007 nan 8.270 nan 0.000 0.463 613 S N 3.211 118.891 115.700 -0.033 0.000 2.399 613 S HA -0.181 4.304 4.470 0.025 0.000 0.231 613 S C 1.914 176.494 174.600 -0.032 0.000 1.022 613 S CA 0.873 59.055 58.200 -0.031 0.000 0.983 613 S CB -0.002 63.181 63.200 -0.028 0.000 0.803 613 S HN 0.666 nan 8.310 nan 0.000 0.480 614 A N 1.938 124.736 122.820 -0.036 0.000 2.015 614 A HA -0.055 4.280 4.320 0.025 0.000 0.219 614 A C 1.922 179.474 177.584 -0.053 0.000 1.163 614 A CA 1.464 53.478 52.037 -0.039 0.000 0.646 614 A CB -0.690 18.286 19.000 -0.039 0.000 0.806 614 A HN 0.449 nan 8.150 nan 0.000 0.448 615 D N -0.131 120.228 120.400 -0.069 0.000 2.097 615 D HA -0.109 4.546 4.640 0.025 0.000 0.195 615 D C 1.895 178.159 176.300 -0.060 0.000 0.989 615 D CA 0.790 54.730 54.000 -0.100 0.000 0.827 615 D CB -0.291 40.435 40.800 -0.122 0.000 0.966 615 D HN 0.345 nan 8.370 nan 0.000 0.456 616 L N 0.414 121.615 121.223 -0.037 0.000 2.093 616 L HA -0.112 4.243 4.340 0.025 0.000 0.208 616 L C 2.353 179.218 176.870 -0.009 0.000 1.085 616 L CA 0.639 55.469 54.840 -0.016 0.000 0.755 616 L CB -0.175 41.874 42.059 -0.017 0.000 0.904 616 L HN 0.108 nan 8.230 nan 0.000 0.435 617 L N -0.680 120.534 121.223 -0.015 0.000 2.046 617 L HA -0.209 4.145 4.340 0.025 0.000 0.208 617 L C 2.802 179.671 176.870 -0.002 0.000 1.077 617 L CA 1.298 56.133 54.840 -0.008 0.000 0.747 617 L CB -0.641 41.411 42.059 -0.012 0.000 0.896 617 L HN 0.263 nan 8.230 nan 0.000 0.432 618 A N 0.117 122.932 122.820 -0.008 0.000 1.898 618 A HA -0.153 4.182 4.320 0.025 0.000 0.216 618 A C 2.173 179.774 177.584 0.029 0.000 1.181 618 A CA 1.387 53.427 52.037 0.004 0.000 0.620 618 A CB -0.557 18.436 19.000 -0.013 0.000 0.819 618 A HN 0.332 nan 8.150 nan 0.000 0.442 619 I N -0.357 120.233 120.570 0.032 0.000 2.133 619 I HA -0.239 3.946 4.170 0.025 0.000 0.238 619 I C 2.385 178.530 176.117 0.047 0.000 1.074 619 I CA 1.176 62.517 61.300 0.068 0.000 1.342 619 I CB -0.377 37.669 38.000 0.075 0.000 1.053 619 I HN 0.262 nan 8.210 nan 0.000 0.404 620 L N 0.396 121.637 121.223 0.030 0.000 2.083 620 L HA -0.223 4.132 4.340 0.025 0.000 0.209 620 L C 2.588 179.470 176.870 0.019 0.000 1.083 620 L CA 1.428 56.283 54.840 0.025 0.000 0.752 620 L CB -0.557 41.513 42.059 0.019 0.000 0.899 620 L HN 0.220 nan 8.230 nan 0.000 0.433 621 K N 0.064 120.474 120.400 0.016 0.000 2.155 621 K HA -0.102 4.233 4.320 0.025 0.000 0.203 621 K C 2.178 178.784 176.600 0.011 0.000 1.052 621 K CA 1.007 57.300 56.287 0.011 0.000 0.948 621 K CB 0.010 32.515 32.500 0.009 0.000 0.728 621 K HN 0.264 nan 8.250 nan 0.000 0.448 622 A N 1.250 124.082 122.820 0.020 0.000 1.898 622 A HA -0.121 4.213 4.320 0.025 0.000 0.216 622 A C 2.038 179.625 177.584 0.006 0.000 1.181 622 A CA 1.109 53.158 52.037 0.019 0.000 0.620 622 A CB -0.523 18.500 19.000 0.039 0.000 0.819 622 A HN 0.235 nan 8.150 nan 0.000 0.442 623 L N -0.676 120.552 121.223 0.008 0.000 2.017 623 L HA -0.191 4.164 4.340 0.025 0.000 0.208 623 L C 2.681 179.530 176.870 -0.036 0.000 1.073 623 L CA 1.705 56.537 54.840 -0.013 0.000 0.745 623 L CB -0.542 41.517 42.059 -0.000 0.000 0.894 623 L HN 0.365 nan 8.230 nan 0.000 0.432 624 K N 0.649 121.037 120.400 -0.020 0.000 2.074 624 K HA -0.235 4.099 4.320 0.025 0.000 0.209 624 K C 1.998 178.579 176.600 -0.033 0.000 1.048 624 K CA 1.781 58.053 56.287 -0.025 0.000 0.926 624 K CB -0.130 32.368 32.500 -0.003 0.000 0.713 624 K HN 0.316 nan 8.250 nan 0.000 0.444 625 A N 0.827 123.634 122.820 -0.021 0.000 2.067 625 A HA -0.090 4.245 4.320 0.025 0.000 0.219 625 A C 1.606 179.173 177.584 -0.028 0.000 1.158 625 A CA 1.250 53.276 52.037 -0.018 0.000 0.661 625 A CB -0.014 18.981 19.000 -0.008 0.000 0.801 625 A HN 0.147 nan 8.150 nan 0.000 0.452 626 K N -1.558 118.818 120.400 -0.040 0.000 2.358 626 K HA 0.233 4.568 4.320 0.025 0.000 0.200 626 K C 0.941 177.492 176.600 -0.083 0.000 1.030 626 K CA 0.606 56.864 56.287 -0.048 0.000 1.097 626 K CB 0.188 32.666 32.500 -0.037 0.000 0.862 626 K HN 0.713 nan 8.250 nan 0.000 0.534 627 G N 1.429 110.160 108.800 -0.116 0.000 2.147 627 G HA2 -0.227 3.747 3.960 0.025 0.000 0.244 627 G HA3 -0.227 3.747 3.960 0.025 0.000 0.244 627 G C 0.016 174.704 174.900 -0.353 0.000 1.005 627 G CA 0.208 45.190 45.100 -0.196 0.000 0.713 627 G HN 0.097 nan 8.290 nan 0.000 0.515 628 V N 0.888 120.641 119.914 -0.269 0.000 2.439 628 V HA 0.513 4.648 4.120 0.025 0.000 0.282 628 V C 0.790 176.712 176.094 -0.287 0.000 1.039 628 V CA -0.751 61.392 62.300 -0.261 0.000 0.913 628 V CB 1.107 32.871 31.823 -0.098 0.000 0.983 628 V HN 0.440 nan 8.190 nan 0.000 0.460 629 H N 1.772 120.853 119.070 0.020 0.000 2.509 629 H HA 0.781 5.352 4.556 0.025 0.000 0.359 629 H C 0.208 175.555 175.328 0.032 0.000 1.253 629 H CA 0.142 56.204 56.048 0.023 0.000 1.373 629 H CB 1.228 31.005 29.762 0.025 0.000 1.555 629 H HN 0.856 nan 8.280 nan 0.000 0.586 630 A N 0.856 123.778 122.820 0.170 0.000 2.475 630 A HA 0.543 4.878 4.320 0.025 0.000 0.301 630 A C -1.247 176.392 177.584 0.093 0.000 1.059 630 A CA -1.032 51.068 52.037 0.105 0.000 0.710 630 A CB 1.257 20.301 19.000 0.072 0.000 1.288 630 A HN 0.776 nan 8.150 nan 0.000 0.408 631 K N 2.301 122.748 120.400 0.078 0.000 2.463 631 K HA 0.665 5.000 4.320 0.025 0.000 0.255 631 K C -1.535 175.087 176.600 0.037 0.000 0.942 631 K CA -0.512 55.810 56.287 0.059 0.000 0.814 631 K CB 1.449 33.992 32.500 0.073 0.000 1.122 631 K HN 0.508 nan 8.250 nan 0.000 0.425 632 L N 5.123 126.358 121.223 0.020 0.000 2.315 632 L HA 0.338 4.693 4.340 0.025 0.000 0.283 632 L C -0.336 176.525 176.870 -0.014 0.000 1.089 632 L CA -0.653 54.189 54.840 0.004 0.000 0.833 632 L CB 0.151 42.206 42.059 -0.008 0.000 1.170 632 L HN 0.526 nan 8.230 nan 0.000 0.442 633 L N 3.678 124.891 121.223 -0.018 0.000 2.322 633 L HA 0.607 4.962 4.340 0.025 0.000 0.269 633 L C -0.789 175.977 176.870 -0.175 0.000 1.012 633 L CA -0.762 54.014 54.840 -0.106 0.000 0.815 633 L CB 1.921 43.927 42.059 -0.088 0.000 1.295 633 L HN 0.402 nan 8.230 nan 0.000 0.438 634 Y N -0.765 119.071 120.300 -0.773 0.000 2.840 634 Y HA 0.160 4.725 4.550 0.024 0.000 0.324 634 Y C 0.727 175.854 175.900 -1.287 0.000 1.378 634 Y CA -0.797 56.739 58.100 -0.940 0.000 1.077 634 Y CB 1.524 39.777 38.460 -0.344 0.000 1.361 634 Y HN 0.543 nan 8.280 nan 0.000 0.459 635 S N 0.667 115.475 115.700 -1.487 0.000 2.593 635 S HA 0.265 4.750 4.470 0.025 0.000 0.217 635 S C 0.006 174.335 174.600 -0.452 0.000 0.966 635 S CA 0.365 58.091 58.200 -0.790 0.000 0.914 635 S CB -0.226 62.650 63.200 -0.541 0.000 0.776 635 S HN 0.609 nan 8.310 nan 0.000 0.523 636 R N -1.184 119.103 120.500 -0.354 0.000 2.733 636 R HA 0.610 4.965 4.340 0.025 0.000 0.272 636 R C -0.835 175.453 176.300 -0.021 0.000 1.029 636 R CA -1.097 54.935 56.100 -0.112 0.000 0.888 636 R CB 0.490 30.768 30.300 -0.037 0.000 1.251 636 R HN -0.066 nan 8.270 nan 0.000 0.464 637 M N 0.226 119.819 119.600 -0.011 0.000 2.219 637 M HA 0.521 5.015 4.480 0.025 0.000 0.280 637 M C 0.992 177.306 176.300 0.024 0.000 1.189 637 M CA 0.885 56.187 55.300 0.003 0.000 1.010 637 M CB 0.540 33.135 32.600 -0.009 0.000 1.422 637 M HN 1.066 nan 8.290 nan 0.000 0.504 638 G N 0.927 109.732 108.800 0.009 0.000 2.846 638 G HA2 -0.126 3.849 3.960 0.025 0.000 0.225 638 G HA3 -0.126 3.849 3.960 0.025 0.000 0.225 638 G C -0.869 174.024 174.900 -0.012 0.000 1.285 638 G CA -0.463 44.639 45.100 0.003 0.000 1.055 638 G HN 0.637 nan 8.290 nan 0.000 0.579 639 E N -0.821 119.366 120.200 -0.022 0.000 2.367 639 E HA 0.598 4.962 4.350 0.025 0.000 0.273 639 E C -0.417 176.122 176.600 -0.102 0.000 0.903 639 E CA -0.537 55.830 56.400 -0.057 0.000 0.764 639 E CB 3.007 32.681 29.700 -0.042 0.000 1.252 639 E HN 1.186 nan 8.360 nan 0.000 0.446 640 V N -1.725 118.090 119.914 -0.166 0.000 3.046 640 V HA 0.743 4.878 4.120 0.025 0.000 0.316 640 V C -0.444 175.570 176.094 -0.132 0.000 1.104 640 V CA -0.662 61.513 62.300 -0.208 0.000 1.006 640 V CB 1.963 33.537 31.823 -0.414 0.000 1.058 640 V HN 0.638 nan 8.190 nan 0.000 0.440 641 T N 2.198 116.687 114.554 -0.108 0.000 2.792 641 T HA 0.781 5.146 4.350 0.025 0.000 0.280 641 T C 0.212 174.871 174.700 -0.068 0.000 0.990 641 T CA 0.201 62.258 62.100 -0.071 0.000 0.960 641 T CB 1.305 70.144 68.868 -0.048 0.000 0.939 641 T HN 1.328 nan 8.240 nan 0.000 0.439 642 A N 2.393 125.179 122.820 -0.057 0.000 2.296 642 A HA 0.397 4.732 4.320 0.025 0.000 0.264 642 A C 1.602 179.165 177.584 -0.035 0.000 1.097 642 A CA -0.390 51.618 52.037 -0.048 0.000 0.811 642 A CB 0.076 19.051 19.000 -0.042 0.000 1.072 642 A HN 0.922 nan 8.150 nan 0.000 0.495 643 D N 0.406 120.788 120.400 -0.030 0.000 2.191 643 D HA -0.255 4.399 4.640 0.025 0.000 0.195 643 D C 0.745 177.032 176.300 -0.022 0.000 1.003 643 D CA 1.905 55.891 54.000 -0.023 0.000 0.867 643 D CB -0.393 40.394 40.800 -0.022 0.000 0.926 643 D HN 0.634 nan 8.370 nan 0.000 0.450 644 D N -1.260 119.126 120.400 -0.023 0.000 2.328 644 D HA 0.168 4.822 4.640 0.025 0.000 0.221 644 D C 1.671 177.959 176.300 -0.020 0.000 1.072 644 D CA 0.610 54.598 54.000 -0.020 0.000 0.850 644 D CB -0.155 40.633 40.800 -0.019 0.000 0.922 644 D HN 0.441 nan 8.370 nan 0.000 0.516 645 G N -0.150 108.637 108.800 -0.023 0.000 2.176 645 G HA2 -0.278 3.697 3.960 0.025 0.000 0.253 645 G HA3 -0.278 3.697 3.960 0.025 0.000 0.253 645 G C 0.443 175.328 174.900 -0.024 0.000 0.979 645 G CA 0.373 45.460 45.100 -0.022 0.000 0.641 645 G HN 0.465 nan 8.290 nan 0.000 0.530 646 T N 1.161 115.700 114.554 -0.026 0.000 2.902 646 T HA 0.411 4.776 4.350 0.025 0.000 0.301 646 T C 0.607 175.287 174.700 -0.034 0.000 1.012 646 T CA 0.087 62.171 62.100 -0.026 0.000 1.151 646 T CB 2.210 71.063 68.868 -0.026 0.000 0.946 646 T HN 0.446 nan 8.240 nan 0.000 0.542 647 V N 5.238 125.133 119.914 -0.032 0.000 2.406 647 V HA 0.246 4.381 4.120 0.025 0.000 0.272 647 V C -0.264 175.806 176.094 -0.041 0.000 1.043 647 V CA -0.727 61.550 62.300 -0.038 0.000 0.915 647 V CB 0.924 32.730 31.823 -0.029 0.000 0.988 647 V HN 0.553 nan 8.190 nan 0.000 0.466 648 L N 9.020 130.209 121.223 -0.058 0.000 2.294 648 L HA 0.533 4.888 4.340 0.025 0.000 0.283 648 L C -2.128 174.706 176.870 -0.061 0.000 1.015 648 L CA -2.414 52.391 54.840 -0.059 0.000 0.831 648 L CB 1.606 43.617 42.059 -0.081 0.000 1.217 648 L HN 0.431 nan 8.230 nan 0.000 0.420 649 P HA 0.295 nan 4.420 nan 0.000 0.280 649 P C -0.430 176.850 177.300 -0.033 0.000 1.244 649 P CA -0.304 62.776 63.100 -0.032 0.000 0.784 649 P CB 1.245 32.934 31.700 -0.018 0.000 0.913 650 I N 2.507 123.058 120.570 -0.032 0.000 2.342 650 I HA 0.222 4.407 4.170 0.025 0.000 0.291 650 I C 1.586 177.693 176.117 -0.017 0.000 1.010 650 I CA -0.428 60.855 61.300 -0.028 0.000 1.308 650 I CB 1.463 39.453 38.000 -0.016 0.000 1.400 650 I HN 0.367 nan 8.210 nan 0.000 0.488 651 A N 5.254 128.065 122.820 -0.014 0.000 1.935 651 A HA 0.591 4.926 4.320 0.025 0.000 0.214 651 A C 0.960 178.539 177.584 -0.007 0.000 1.178 651 A CA 1.165 53.200 52.037 -0.004 0.000 0.640 651 A CB 0.047 19.053 19.000 0.010 0.000 0.825 651 A HN 0.822 nan 8.150 nan 0.000 0.447 652 A N -2.018 120.786 122.820 -0.025 0.000 2.586 652 A HA 0.558 4.893 4.320 0.025 0.000 0.291 652 A C -0.065 177.462 177.584 -0.095 0.000 1.062 652 A CA 0.061 52.081 52.037 -0.029 0.000 0.666 652 A CB -0.288 18.721 19.000 0.015 0.000 1.281 652 A HN 0.784 nan 8.150 nan 0.000 0.421 653 T N -1.409 113.085 114.554 -0.101 0.000 2.816 653 T HA 0.549 4.914 4.350 0.025 0.000 0.282 653 T C 0.952 175.583 174.700 -0.116 0.000 0.993 653 T CA 0.109 62.077 62.100 -0.219 0.000 0.994 653 T CB 0.053 68.835 68.868 -0.144 0.000 1.025 653 T HN 0.489 nan 8.240 nan 0.000 0.529 654 F N 0.546 120.507 119.950 0.018 0.000 2.126 654 F HA -0.011 4.531 4.527 0.025 0.000 0.299 654 F C 2.892 178.818 175.800 0.210 0.000 1.096 654 F CA 1.094 59.150 58.000 0.092 0.000 1.255 654 F CB -0.608 38.431 39.000 0.066 0.000 0.997 654 F HN 0.704 nan 8.300 nan 0.000 0.479 655 A N 0.041 123.031 122.820 0.283 0.000 2.021 655 A HA 0.138 4.472 4.320 0.025 0.000 0.216 655 A C 2.391 180.052 177.584 0.128 0.000 1.163 655 A CA 1.156 53.306 52.037 0.189 0.000 0.676 655 A CB -1.256 17.814 19.000 0.117 0.000 0.818 655 A HN 0.372 nan 8.150 nan 0.000 0.453 656 G N -0.884 107.976 108.800 0.101 0.000 2.511 656 G HA2 0.301 4.276 3.960 0.025 0.000 0.217 656 G HA3 0.301 4.276 3.960 0.025 0.000 0.217 656 G C 0.638 175.593 174.900 0.091 0.000 1.133 656 G CA 0.934 46.074 45.100 0.067 0.000 0.792 656 G HN 1.019 nan 8.290 nan 0.000 0.539 657 A N 0.744 123.655 122.820 0.152 0.000 3.216 657 A HA 0.692 5.027 4.320 0.025 0.000 0.321 657 A C -2.684 175.074 177.584 0.290 0.000 1.042 657 A CA -1.127 51.017 52.037 0.178 0.000 0.838 657 A CB 1.110 20.203 19.000 0.156 0.000 1.136 657 A HN 0.089 nan 8.150 nan 0.000 0.483 658 P HA 0.011 nan 4.420 nan 0.000 0.269 658 P C 1.365 178.535 177.300 -0.216 0.000 1.217 658 P CA 0.501 63.588 63.100 -0.023 0.000 0.783 658 P CB 0.733 32.392 31.700 -0.068 0.000 0.898 659 S N 1.234 116.441 115.700 -0.822 0.000 2.440 659 S HA -0.157 4.328 4.470 0.025 0.000 0.238 659 S C 1.776 176.232 174.600 -0.242 0.000 1.010 659 S CA 1.024 58.850 58.200 -0.624 0.000 0.972 659 S CB -1.332 61.380 63.200 -0.813 0.000 0.774 659 S HN 0.352 nan 8.310 nan 0.000 0.501 660 L N 1.809 122.896 121.223 -0.227 0.000 2.137 660 L HA -0.121 4.234 4.340 0.025 0.000 0.213 660 L C 2.948 179.640 176.870 -0.297 0.000 1.085 660 L CA 1.735 56.431 54.840 -0.239 0.000 0.760 660 L CB -1.485 40.406 42.059 -0.280 0.000 0.893 660 L HN 0.660 nan 8.230 nan 0.000 0.434 661 T N -3.405 111.052 114.554 -0.161 0.000 3.107 661 T HA 0.207 4.572 4.350 0.025 0.000 0.249 661 T C 0.427 175.229 174.700 0.171 0.000 1.096 661 T CA 0.170 62.261 62.100 -0.016 0.000 1.012 661 T CB -0.297 68.669 68.868 0.163 0.000 0.977 661 T HN 0.162 nan 8.240 nan 0.000 0.527 662 V N -2.345 117.625 119.914 0.093 0.000 3.103 662 V HA 0.573 4.707 4.120 0.025 0.000 0.318 662 V C -0.052 176.091 176.094 0.082 0.000 1.114 662 V CA -0.947 61.434 62.300 0.134 0.000 1.020 662 V CB 2.055 33.973 31.823 0.159 0.000 1.085 662 V HN 0.004 nan 8.190 nan 0.000 0.446 663 D N 0.839 121.290 120.400 0.085 0.000 2.366 663 D HA 0.500 5.154 4.640 0.025 0.000 0.205 663 D C 0.536 176.823 176.300 -0.021 0.000 1.022 663 D CA 1.437 55.460 54.000 0.037 0.000 0.868 663 D CB 1.486 42.330 40.800 0.073 0.000 0.953 663 D HN 0.980 nan 8.370 nan 0.000 0.514 664 A N 0.037 122.862 122.820 0.008 0.000 2.566 664 A HA 0.535 4.870 4.320 0.025 0.000 0.290 664 A C -1.688 175.916 177.584 0.034 0.000 1.071 664 A CA -0.545 51.483 52.037 -0.015 0.000 0.658 664 A CB 1.443 20.422 19.000 -0.035 0.000 1.285 664 A HN -0.105 nan 8.150 nan 0.000 0.427 665 V N 0.991 120.918 119.914 0.021 0.000 2.686 665 V HA 0.567 4.702 4.120 0.025 0.000 0.306 665 V C -0.811 175.291 176.094 0.013 0.000 1.065 665 V CA -0.196 62.130 62.300 0.044 0.000 0.894 665 V CB 1.634 33.502 31.823 0.075 0.000 1.004 665 V HN 0.716 nan 8.190 nan 0.000 0.424 666 I N 4.151 124.737 120.570 0.026 0.000 2.465 666 I HA 0.591 4.776 4.170 0.025 0.000 0.291 666 I C -0.914 175.229 176.117 0.043 0.000 1.014 666 I CA -1.002 60.338 61.300 0.068 0.000 1.093 666 I CB 2.314 40.383 38.000 0.114 0.000 1.267 666 I HN 0.268 nan 8.210 nan 0.000 0.431 667 V N 7.377 127.330 119.914 0.067 0.000 2.350 667 V HA 0.373 4.508 4.120 0.025 0.000 0.285 667 V C -2.179 173.967 176.094 0.086 0.000 1.014 667 V CA -1.573 60.750 62.300 0.040 0.000 0.831 667 V CB 1.545 33.360 31.823 -0.012 0.000 1.000 667 V HN 0.562 nan 8.190 nan 0.000 0.433 668 P HA 0.418 nan 4.420 nan 0.000 0.278 668 P C -0.296 177.021 177.300 0.029 0.000 1.258 668 P CA -0.252 62.859 63.100 0.019 0.000 0.811 668 P CB 1.242 32.944 31.700 0.004 0.000 1.063 669 A N 0.620 123.432 122.820 -0.013 0.000 2.310 669 A HA 0.673 5.008 4.320 0.025 0.000 0.260 669 A C 0.799 178.386 177.584 0.005 0.000 1.112 669 A CA 0.698 52.735 52.037 -0.000 0.000 0.804 669 A CB -0.775 18.205 19.000 -0.033 0.000 1.081 669 A HN 0.845 nan 8.150 nan 0.000 0.499 670 G N -0.580 108.225 108.800 0.009 0.000 2.366 670 G HA2 -0.045 3.930 3.960 0.025 0.000 0.190 670 G HA3 -0.045 3.930 3.960 0.025 0.000 0.190 670 G C -0.336 174.573 174.900 0.016 0.000 1.299 670 G CA -0.120 44.985 45.100 0.007 0.000 1.056 670 G HN 1.028 nan 8.290 nan 0.000 0.468 671 N N 1.484 120.199 118.700 0.025 0.000 2.895 671 N HA 0.139 4.894 4.740 0.025 0.000 0.277 671 N C 1.348 176.890 175.510 0.054 0.000 1.185 671 N CA -0.614 52.454 53.050 0.031 0.000 1.106 671 N CB -0.137 38.369 38.487 0.032 0.000 1.422 671 N HN 0.352 nan 8.380 nan 0.000 0.521 672 I N 1.788 122.380 120.570 0.037 0.000 2.454 672 I HA -0.202 3.982 4.170 0.025 0.000 0.254 672 I C 2.338 178.458 176.117 0.005 0.000 1.156 672 I CA 0.715 62.039 61.300 0.040 0.000 1.433 672 I CB -1.402 36.589 38.000 -0.015 0.000 1.082 672 I HN 0.469 nan 8.210 nan 0.000 0.432 673 A N 0.465 123.280 122.820 -0.007 0.000 2.067 673 A HA -0.240 4.094 4.320 0.025 0.000 0.219 673 A C 2.045 179.647 177.584 0.031 0.000 1.158 673 A CA 1.668 53.696 52.037 -0.015 0.000 0.661 673 A CB -0.616 18.373 19.000 -0.018 0.000 0.801 673 A HN 0.390 nan 8.150 nan 0.000 0.452 674 D N 0.561 121.006 120.400 0.075 0.000 2.158 674 D HA -0.182 4.473 4.640 0.025 0.000 0.197 674 D C 1.515 177.901 176.300 0.143 0.000 0.995 674 D CA 1.930 56.005 54.000 0.125 0.000 0.846 674 D CB -0.171 40.742 40.800 0.188 0.000 0.941 674 D HN 0.660 nan 8.370 nan 0.000 0.456 675 I N -4.288 116.382 120.570 0.167 0.000 4.227 675 I HA 0.484 4.669 4.170 0.025 0.000 0.334 675 I C 1.817 178.046 176.117 0.187 0.000 1.341 675 I CA -0.071 61.349 61.300 0.200 0.000 1.123 675 I CB 0.188 38.359 38.000 0.285 0.000 1.097 675 I HN -0.093 nan 8.210 nan 0.000 0.399 676 A N 1.370 124.225 122.820 0.058 0.000 2.019 676 A HA -0.128 4.207 4.320 0.025 0.000 0.219 676 A C 1.545 179.109 177.584 -0.035 0.000 1.164 676 A CA 1.863 53.821 52.037 -0.131 0.000 0.644 676 A CB -0.433 18.416 19.000 -0.252 0.000 0.805 676 A HN 0.514 nan 8.150 nan 0.000 0.449 677 D N -0.681 119.725 120.400 0.010 0.000 2.402 677 D HA 0.030 4.685 4.640 0.025 0.000 0.216 677 D C -0.121 176.201 176.300 0.037 0.000 1.128 677 D CA -0.169 53.839 54.000 0.014 0.000 0.833 677 D CB -0.112 40.688 40.800 -0.001 0.000 0.971 677 D HN 0.321 nan 8.370 nan 0.000 0.503 678 N N 1.076 119.810 118.700 0.058 0.000 2.411 678 N HA 0.049 4.804 4.740 0.025 0.000 0.259 678 N C 1.330 176.864 175.510 0.040 0.000 1.103 678 N CA -0.010 53.071 53.050 0.050 0.000 0.954 678 N CB 1.559 40.083 38.487 0.061 0.000 1.085 678 N HN -0.016 nan 8.380 nan 0.000 0.485 679 G N 3.196 112.021 108.800 0.042 0.000 2.418 679 G HA2 -0.251 3.724 3.960 0.025 0.000 0.217 679 G HA3 -0.251 3.724 3.960 0.025 0.000 0.217 679 G C 0.942 175.883 174.900 0.068 0.000 1.158 679 G CA 0.514 45.643 45.100 0.049 0.000 0.771 679 G HN 0.601 nan 8.290 nan 0.000 0.545 680 D N 0.947 121.388 120.400 0.068 0.000 2.144 680 D HA -0.022 4.633 4.640 0.025 0.000 0.199 680 D C 2.773 179.044 176.300 -0.047 0.000 0.984 680 D CA 1.191 55.257 54.000 0.110 0.000 0.834 680 D CB -0.383 40.544 40.800 0.212 0.000 0.955 680 D HN 0.320 nan 8.370 nan 0.000 0.465 681 A N 1.067 123.702 122.820 -0.309 0.000 1.873 681 A HA -0.165 4.170 4.320 0.025 0.000 0.215 681 A C 2.006 179.400 177.584 -0.317 0.000 1.186 681 A CA 1.141 52.778 52.037 -0.667 0.000 0.616 681 A CB -0.454 18.123 19.000 -0.706 0.000 0.823 681 A HN 0.151 nan 8.150 nan 0.000 0.442 682 N N -1.355 117.304 118.700 -0.068 0.000 2.069 682 N HA -0.209 4.546 4.740 0.025 0.000 0.191 682 N C 1.714 177.215 175.510 -0.014 0.000 1.031 682 N CA 1.883 54.945 53.050 0.020 0.000 0.852 682 N CB -0.487 38.073 38.487 0.122 0.000 1.018 682 N HN 0.690 nan 8.380 nan 0.000 0.423 683 Y N 0.590 120.854 120.300 -0.060 0.000 2.224 683 Y HA -0.264 4.301 4.550 0.024 0.000 0.289 683 Y C 2.415 178.265 175.900 -0.084 0.000 1.146 683 Y CA 1.187 59.249 58.100 -0.063 0.000 1.182 683 Y CB -0.343 38.087 38.460 -0.050 0.000 0.983 683 Y HN 0.021 nan 8.280 nan 0.000 0.524 684 Y N 0.318 120.481 120.300 -0.228 0.000 2.151 684 Y HA -0.322 4.242 4.550 0.024 0.000 0.284 684 Y C 2.036 177.739 175.900 -0.329 0.000 1.166 684 Y CA 2.078 60.022 58.100 -0.261 0.000 1.163 684 Y CB -0.411 37.900 38.460 -0.248 0.000 0.974 684 Y HN 0.135 nan 8.280 nan 0.000 0.511 685 L N -1.339 119.794 121.223 -0.150 0.000 2.131 685 L HA -0.214 4.140 4.340 0.025 0.000 0.206 685 L C 2.375 179.114 176.870 -0.217 0.000 1.087 685 L CA 1.115 55.855 54.840 -0.167 0.000 0.767 685 L CB -0.434 41.495 42.059 -0.218 0.000 0.917 685 L HN 0.270 nan 8.230 nan 0.000 0.441 686 M N -0.516 118.898 119.600 -0.311 0.000 2.086 686 M HA -0.233 4.262 4.480 0.025 0.000 0.261 686 M C 2.250 178.293 176.300 -0.428 0.000 1.067 686 M CA 1.733 56.846 55.300 -0.311 0.000 1.116 686 M CB -0.367 32.048 32.600 -0.309 0.000 1.348 686 M HN 0.193 nan 8.290 nan 0.000 0.407 687 E N 0.495 120.238 120.200 -0.762 0.000 2.038 687 E HA -0.227 4.138 4.350 0.025 0.000 0.195 687 E C 1.977 178.206 176.600 -0.618 0.000 1.000 687 E CA 1.522 57.439 56.400 -0.805 0.000 0.803 687 E CB -0.026 29.152 29.700 -0.869 0.000 0.750 687 E HN 0.489 nan 8.360 nan 0.000 0.448 688 A N 0.163 122.736 122.820 -0.412 0.000 1.933 688 A HA -0.205 4.130 4.320 0.025 0.000 0.218 688 A C 2.028 179.505 177.584 -0.178 0.000 1.175 688 A CA 1.477 53.370 52.037 -0.240 0.000 0.628 688 A CB -0.906 18.012 19.000 -0.137 0.000 0.814 688 A HN 0.546 nan 8.150 nan 0.000 0.444 689 Y N 0.655 120.793 120.300 -0.270 0.000 2.070 689 Y HA -0.261 4.304 4.550 0.024 0.000 0.280 689 Y C 2.426 178.201 175.900 -0.209 0.000 1.148 689 Y CA 2.450 60.424 58.100 -0.211 0.000 1.125 689 Y CB -0.358 37.994 38.460 -0.180 0.000 0.975 689 Y HN 0.331 nan 8.280 nan 0.000 0.492 690 K N -0.665 119.618 120.400 -0.194 0.000 2.127 690 K HA -0.267 4.068 4.320 0.025 0.000 0.208 690 K C 1.186 177.669 176.600 -0.196 0.000 1.047 690 K CA 2.248 58.392 56.287 -0.239 0.000 0.927 690 K CB -0.507 31.816 32.500 -0.295 0.000 0.716 690 K HN 0.618 nan 8.250 nan 0.000 0.450 691 H N 0.009 118.957 119.070 -0.203 0.000 2.524 691 H HA 0.193 4.764 4.556 0.025 0.000 0.280 691 H C -0.038 175.130 175.328 -0.267 0.000 1.018 691 H CA 0.192 56.119 56.048 -0.202 0.000 1.165 691 H CB 0.170 29.808 29.762 -0.207 0.000 1.411 691 H HN 0.130 nan 8.280 nan 0.000 0.569 692 L N -0.009 121.066 121.223 -0.246 0.000 4.140 692 L HA -0.267 4.088 4.340 0.025 0.000 0.406 692 L C -0.386 176.226 176.870 -0.430 0.000 1.175 692 L CA 0.565 55.171 54.840 -0.391 0.000 0.939 692 L CB -1.722 40.086 42.059 -0.419 0.000 2.105 692 L HN 0.295 nan 8.230 nan 0.000 0.803 693 K N 0.898 121.112 120.400 -0.310 0.000 2.174 693 K HA 0.479 4.814 4.320 0.025 0.000 0.275 693 K C -2.142 174.325 176.600 -0.221 0.000 1.015 693 K CA -1.801 54.324 56.287 -0.270 0.000 0.933 693 K CB 0.679 33.073 32.500 -0.176 0.000 1.025 693 K HN -0.214 nan 8.250 nan 0.000 0.463 694 P HA 0.056 nan 4.420 nan 0.000 0.266 694 P C -0.727 176.510 177.300 -0.105 0.000 1.195 694 P CA 0.396 63.398 63.100 -0.164 0.000 0.768 694 P CB 0.449 32.052 31.700 -0.161 0.000 0.838 695 I N 1.550 122.072 120.570 -0.079 0.000 2.533 695 I HA 0.601 4.785 4.170 0.025 0.000 0.290 695 I C -0.417 175.660 176.117 -0.067 0.000 1.056 695 I CA -0.891 60.381 61.300 -0.046 0.000 1.057 695 I CB 2.267 40.266 38.000 -0.003 0.000 1.240 695 I HN 0.254 nan 8.210 nan 0.000 0.423 696 A N 7.575 130.362 122.820 -0.055 0.000 2.343 696 A HA 0.902 5.237 4.320 0.025 0.000 0.316 696 A C -1.120 176.564 177.584 0.168 0.000 1.104 696 A CA -0.442 51.555 52.037 -0.067 0.000 0.768 696 A CB 1.045 19.861 19.000 -0.306 0.000 1.213 696 A HN 0.665 nan 8.150 nan 0.000 0.456 697 L N 2.119 123.501 121.223 0.266 0.000 2.376 697 L HA 0.720 5.074 4.340 0.025 0.000 0.275 697 L C 0.168 177.235 176.870 0.328 0.000 0.987 697 L CA -0.579 54.419 54.840 0.263 0.000 0.828 697 L CB 2.012 44.175 42.059 0.173 0.000 1.249 697 L HN 0.787 nan 8.230 nan 0.000 0.409 698 A N 2.286 125.202 122.820 0.160 0.000 2.330 698 A HA 0.865 5.200 4.320 0.025 0.000 0.327 698 A C 0.586 178.153 177.584 -0.028 0.000 1.155 698 A CA 0.282 52.276 52.037 -0.072 0.000 0.803 698 A CB 1.241 20.037 19.000 -0.340 0.000 1.208 698 A HN 1.000 nan 8.150 nan 0.000 0.477 699 G N 2.166 110.941 108.800 -0.042 0.000 2.596 699 G HA2 -0.355 3.620 3.960 0.025 0.000 0.295 699 G HA3 -0.355 3.620 3.960 0.025 0.000 0.295 699 G C 0.579 175.481 174.900 0.003 0.000 1.240 699 G CA 0.674 45.758 45.100 -0.026 0.000 0.985 699 G HN 1.209 nan 8.290 nan 0.000 0.555 700 D N 1.408 121.806 120.400 -0.002 0.000 2.371 700 D HA 0.170 4.825 4.640 0.025 0.000 0.221 700 D C 2.257 178.563 176.300 0.010 0.000 0.986 700 D CA 1.351 55.345 54.000 -0.009 0.000 0.899 700 D CB -0.397 40.391 40.800 -0.021 0.000 0.902 700 D HN 0.885 nan 8.370 nan 0.000 0.530 701 A N 1.356 124.220 122.820 0.073 0.000 2.125 701 A HA -0.141 4.194 4.320 0.025 0.000 0.219 701 A C 2.214 179.920 177.584 0.203 0.000 1.156 701 A CA 0.456 52.614 52.037 0.201 0.000 0.671 701 A CB -0.618 18.515 19.000 0.221 0.000 0.794 701 A HN 0.098 nan 8.150 nan 0.000 0.459 702 R N -0.193 120.367 120.500 0.100 0.000 2.241 702 R HA -0.102 4.253 4.340 0.025 0.000 0.224 702 R C 1.733 178.045 176.300 0.020 0.000 1.101 702 R CA 1.271 57.416 56.100 0.075 0.000 0.995 702 R CB -0.194 30.135 30.300 0.049 0.000 0.870 702 R HN 0.531 nan 8.270 nan 0.000 0.463 703 K N -0.141 120.225 120.400 -0.058 0.000 2.152 703 K HA -0.140 4.195 4.320 0.025 0.000 0.206 703 K C 1.357 177.839 176.600 -0.197 0.000 1.048 703 K CA 1.302 57.492 56.287 -0.162 0.000 0.933 703 K CB -0.134 32.209 32.500 -0.262 0.000 0.721 703 K HN 0.163 nan 8.250 nan 0.000 0.447 704 F N 1.571 121.497 119.950 -0.040 0.000 2.583 704 F HA -0.130 4.411 4.527 0.025 0.000 0.297 704 F C 1.906 177.658 175.800 -0.080 0.000 1.131 704 F CA 0.809 58.773 58.000 -0.060 0.000 1.467 704 F CB -0.130 38.834 39.000 -0.059 0.000 1.097 704 F HN -0.040 nan 8.300 nan 0.000 0.586 705 K N 0.329 120.774 120.400 0.076 0.000 2.113 705 K HA -0.227 4.108 4.320 0.025 0.000 0.208 705 K C 2.338 178.911 176.600 -0.045 0.000 1.047 705 K CA 1.275 57.560 56.287 -0.003 0.000 0.928 705 K CB -0.379 32.115 32.500 -0.009 0.000 0.716 705 K HN 0.288 nan 8.250 nan 0.000 0.446 706 A N 0.595 123.392 122.820 -0.038 0.000 1.969 706 A HA -0.131 4.204 4.320 0.025 0.000 0.218 706 A C 2.137 179.691 177.584 -0.049 0.000 1.169 706 A CA 1.816 53.823 52.037 -0.050 0.000 0.635 706 A CB -0.724 18.244 19.000 -0.053 0.000 0.810 706 A HN 0.243 nan 8.150 nan 0.000 0.445 707 T N 0.844 115.386 114.554 -0.019 0.000 2.746 707 T HA -0.127 4.238 4.350 0.025 0.000 0.267 707 T C 1.511 176.152 174.700 -0.099 0.000 1.039 707 T CA 1.729 63.822 62.100 -0.012 0.000 1.142 707 T CB -0.487 68.434 68.868 0.088 0.000 0.866 707 T HN 0.710 nan 8.240 nan 0.000 0.444 708 I N -1.895 118.562 120.570 -0.187 0.000 3.904 708 I HA 0.340 4.525 4.170 0.025 0.000 0.333 708 I C -0.347 175.520 176.117 -0.417 0.000 1.361 708 I CA -0.383 60.667 61.300 -0.416 0.000 1.116 708 I CB -0.038 37.539 38.000 -0.706 0.000 1.028 708 I HN -0.100 nan 8.210 nan 0.000 0.398 709 K N 1.894 122.167 120.400 -0.212 0.000 3.239 709 K HA -0.108 4.227 4.320 0.025 0.000 0.270 709 K C -0.479 176.045 176.600 -0.125 0.000 1.049 709 K CA 0.465 56.671 56.287 -0.135 0.000 0.769 709 K CB -1.664 30.778 32.500 -0.097 0.000 1.305 709 K HN 0.373 nan 8.250 nan 0.000 0.469 710 I N 0.508 121.007 120.570 -0.119 0.000 2.353 710 I HA 0.310 4.495 4.170 0.025 0.000 0.293 710 I C 1.329 177.425 176.117 -0.036 0.000 0.992 710 I CA -1.102 60.154 61.300 -0.074 0.000 1.268 710 I CB 1.057 39.016 38.000 -0.068 0.000 1.387 710 I HN 0.275 nan 8.210 nan 0.000 0.478 711 A N 4.823 127.633 122.820 -0.015 0.000 2.425 711 A HA 0.123 4.457 4.320 0.025 0.000 0.242 711 A C 1.063 178.643 177.584 -0.006 0.000 1.077 711 A CA -0.191 51.842 52.037 -0.008 0.000 0.781 711 A CB 0.105 19.106 19.000 0.001 0.000 1.020 711 A HN 0.765 nan 8.150 nan 0.000 0.494 712 D N 0.389 120.786 120.400 -0.005 0.000 2.116 712 D HA -0.189 4.466 4.640 0.025 0.000 0.193 712 D C 1.941 178.243 176.300 0.003 0.000 0.998 712 D CA 1.920 55.919 54.000 -0.002 0.000 0.836 712 D CB -0.084 40.714 40.800 -0.003 0.000 0.951 712 D HN 0.775 nan 8.370 nan 0.000 0.449 713 Q N 1.256 121.058 119.800 0.004 0.000 2.482 713 Q HA 0.059 4.414 4.340 0.025 0.000 0.209 713 Q C 0.758 176.762 176.000 0.008 0.000 0.961 713 Q CA 1.177 56.983 55.803 0.006 0.000 0.945 713 Q CB -0.043 28.698 28.738 0.006 0.000 1.012 713 Q HN 0.184 nan 8.270 nan 0.000 0.515 714 G N 1.150 109.955 108.800 0.008 0.000 2.685 714 G HA2 -0.219 3.755 3.960 0.025 0.000 0.387 714 G HA3 -0.219 3.755 3.960 0.025 0.000 0.387 714 G C -1.197 173.710 174.900 0.011 0.000 1.324 714 G CA -0.178 44.927 45.100 0.009 0.000 0.878 714 G HN 0.667 nan 8.290 nan 0.000 0.527 715 E N -1.003 119.205 120.200 0.013 0.000 2.390 715 E HA 0.558 4.923 4.350 0.025 0.000 0.280 715 E C -0.935 175.666 176.600 0.001 0.000 0.992 715 E CA -1.043 55.367 56.400 0.016 0.000 0.790 715 E CB 1.441 31.166 29.700 0.041 0.000 1.248 715 E HN 0.373 nan 8.360 nan 0.000 0.447 716 E N 0.843 121.036 120.200 -0.012 0.000 2.480 716 E HA 0.231 4.596 4.350 0.025 0.000 0.258 716 E C 0.912 177.477 176.600 -0.058 0.000 0.984 716 E CA 1.623 58.001 56.400 -0.037 0.000 0.930 716 E CB 0.885 30.560 29.700 -0.040 0.000 0.936 716 E HN 0.921 nan 8.360 nan 0.000 0.466 717 G N 3.002 111.753 108.800 -0.082 0.000 2.194 717 G HA2 -0.206 3.769 3.960 0.025 0.000 0.236 717 G HA3 -0.206 3.769 3.960 0.025 0.000 0.236 717 G C 0.169 175.023 174.900 -0.076 0.000 0.987 717 G CA -0.254 44.779 45.100 -0.112 0.000 0.635 717 G HN 0.408 nan 8.290 nan 0.000 0.520 718 I N 1.960 122.507 120.570 -0.038 0.000 2.355 718 I HA 0.478 4.662 4.170 0.025 0.000 0.288 718 I C 0.413 176.491 176.117 -0.065 0.000 0.999 718 I CA -1.020 60.264 61.300 -0.027 0.000 1.163 718 I CB 1.357 39.369 38.000 0.021 0.000 1.316 718 I HN -0.116 nan 8.210 nan 0.000 0.454 719 V N 7.477 127.315 119.914 -0.128 0.000 2.465 719 V HA 0.372 4.507 4.120 0.025 0.000 0.279 719 V C 0.195 176.232 176.094 -0.096 0.000 1.045 719 V CA -0.406 61.772 62.300 -0.203 0.000 0.938 719 V CB 1.374 32.921 31.823 -0.459 0.000 0.986 719 V HN 0.862 nan 8.190 nan 0.000 0.467 720 E N 4.289 124.508 120.200 0.031 0.000 2.343 720 E HA 0.882 5.246 4.350 0.025 0.000 0.278 720 E C -0.997 175.747 176.600 0.241 0.000 0.910 720 E CA -0.975 55.539 56.400 0.189 0.000 0.757 720 E CB 2.602 32.366 29.700 0.108 0.000 1.218 720 E HN 0.761 nan 8.360 nan 0.000 0.435 721 A N 1.774 124.765 122.820 0.285 0.000 2.564 721 A HA 0.379 4.713 4.320 0.025 0.000 0.291 721 A C -0.519 177.092 177.584 0.046 0.000 1.102 721 A CA -0.616 51.520 52.037 0.165 0.000 0.660 721 A CB 1.222 20.362 19.000 0.234 0.000 1.283 721 A HN 0.591 nan 8.150 nan 0.000 0.430 722 D N 0.463 120.868 120.400 0.009 0.000 2.178 722 D HA 0.033 4.688 4.640 0.025 0.000 0.201 722 D C 1.058 177.306 176.300 -0.085 0.000 0.980 722 D CA 2.357 56.341 54.000 -0.027 0.000 0.842 722 D CB 0.090 40.879 40.800 -0.019 0.000 0.948 722 D HN 0.799 nan 8.370 nan 0.000 0.472 723 S N -2.066 113.548 115.700 -0.142 0.000 2.625 723 S HA 0.640 5.125 4.470 0.025 0.000 0.271 723 S C -0.055 174.252 174.600 -0.487 0.000 1.161 723 S CA -0.362 57.694 58.200 -0.241 0.000 0.820 723 S CB 1.761 64.876 63.200 -0.142 0.000 1.137 723 S HN -0.068 nan 8.310 nan 0.000 0.470 724 A N 0.918 123.390 122.820 -0.580 0.000 2.310 724 A HA 0.315 4.649 4.320 0.025 0.000 0.230 724 A C 0.572 178.008 177.584 -0.246 0.000 1.294 724 A CA 0.394 51.936 52.037 -0.825 0.000 0.898 724 A CB -1.280 17.360 19.000 -0.599 0.000 0.917 724 A HN 0.875 nan 8.150 nan 0.000 0.491 725 D N -1.941 118.377 120.400 -0.136 0.000 2.560 725 D HA 0.524 5.178 4.640 0.025 0.000 0.277 725 D C 1.096 177.423 176.300 0.046 0.000 1.194 725 D CA 0.270 54.257 54.000 -0.022 0.000 1.092 725 D CB -0.392 40.388 40.800 -0.034 0.000 1.169 725 D HN 0.621 nan 8.370 nan 0.000 0.607 726 G N -0.016 108.808 108.800 0.040 0.000 2.634 726 G HA2 -0.325 3.650 3.960 0.025 0.000 0.309 726 G HA3 -0.325 3.650 3.960 0.025 0.000 0.309 726 G C 0.872 175.820 174.900 0.081 0.000 1.265 726 G CA 1.991 47.122 45.100 0.052 0.000 0.998 726 G HN 1.352 nan 8.290 nan 0.000 0.551 727 S N -0.152 115.601 115.700 0.088 0.000 2.593 727 S HA 0.289 4.774 4.470 0.025 0.000 0.217 727 S C 1.816 176.485 174.600 0.115 0.000 0.966 727 S CA 1.118 59.366 58.200 0.079 0.000 0.914 727 S CB -0.063 63.165 63.200 0.047 0.000 0.776 727 S HN 1.016 nan 8.310 nan 0.000 0.523 728 F N 2.495 122.443 119.950 -0.003 0.000 2.095 728 F HA -0.064 4.477 4.527 0.024 0.000 0.298 728 F C 2.160 177.957 175.800 -0.006 0.000 1.104 728 F CA 1.605 59.603 58.000 -0.004 0.000 1.232 728 F CB -0.228 38.771 39.000 -0.002 0.000 0.987 728 F HN 0.168 nan 8.300 nan 0.000 0.475 729 M N 0.006 119.752 119.600 0.242 0.000 2.254 729 M HA -0.137 4.357 4.480 0.025 0.000 0.265 729 M C 1.707 178.008 176.300 0.002 0.000 1.066 729 M CA 1.220 56.583 55.300 0.105 0.000 1.123 729 M CB -1.269 31.418 32.600 0.145 0.000 1.388 729 M HN 0.118 nan 8.290 nan 0.000 0.425 730 D N 0.489 120.896 120.400 0.012 0.000 2.144 730 D HA -0.125 4.530 4.640 0.025 0.000 0.200 730 D C 1.954 178.228 176.300 -0.044 0.000 0.978 730 D CA 1.087 55.080 54.000 -0.011 0.000 0.833 730 D CB -0.063 40.739 40.800 0.003 0.000 0.961 730 D HN 0.451 nan 8.370 nan 0.000 0.470 731 E N 0.364 120.523 120.200 -0.069 0.000 2.072 731 E HA -0.106 4.259 4.350 0.025 0.000 0.191 731 E C 2.113 178.626 176.600 -0.145 0.000 0.985 731 E CA 0.140 56.479 56.400 -0.102 0.000 0.801 731 E CB -0.008 29.620 29.700 -0.121 0.000 0.750 731 E HN 0.146 nan 8.360 nan 0.000 0.452 732 L N 0.953 122.053 121.223 -0.206 0.000 2.012 732 L HA -0.201 4.154 4.340 0.025 0.000 0.210 732 L C 2.151 178.951 176.870 -0.117 0.000 1.073 732 L CA 1.678 56.397 54.840 -0.203 0.000 0.748 732 L CB -0.449 41.458 42.059 -0.253 0.000 0.891 732 L HN 0.254 nan 8.230 nan 0.000 0.431 733 L N -0.677 120.498 121.223 -0.079 0.000 2.201 733 L HA -0.196 4.158 4.340 0.025 0.000 0.212 733 L C 2.443 179.287 176.870 -0.044 0.000 1.105 733 L CA 1.334 56.144 54.840 -0.049 0.000 0.775 733 L CB -0.653 41.388 42.059 -0.030 0.000 0.913 733 L HN 0.271 nan 8.230 nan 0.000 0.440 734 T N 0.098 114.622 114.554 -0.051 0.000 2.737 734 T HA -0.133 4.231 4.350 0.025 0.000 0.265 734 T C 1.961 176.627 174.700 -0.056 0.000 1.038 734 T CA 1.126 63.201 62.100 -0.042 0.000 1.144 734 T CB -0.192 68.652 68.868 -0.040 0.000 0.866 734 T HN 0.189 nan 8.240 nan 0.000 0.434 735 L N 0.373 121.544 121.223 -0.087 0.000 2.042 735 L HA -0.116 4.238 4.340 0.025 0.000 0.210 735 L C 2.712 179.516 176.870 -0.111 0.000 1.076 735 L CA 1.420 56.189 54.840 -0.120 0.000 0.749 735 L CB -0.560 41.409 42.059 -0.150 0.000 0.893 735 L HN 0.318 nan 8.230 nan 0.000 0.432 736 M N -0.843 118.708 119.600 -0.081 0.000 2.229 736 M HA -0.149 4.346 4.480 0.025 0.000 0.264 736 M C 2.442 178.742 176.300 0.000 0.000 1.063 736 M CA 1.598 56.868 55.300 -0.049 0.000 1.114 736 M CB -0.476 32.105 32.600 -0.032 0.000 1.387 736 M HN 0.310 nan 8.290 nan 0.000 0.420 737 A N 0.262 123.082 122.820 -0.000 0.000 2.019 737 A HA 0.058 4.393 4.320 0.025 0.000 0.219 737 A C 2.093 179.715 177.584 0.063 0.000 1.164 737 A CA 1.690 53.747 52.037 0.034 0.000 0.644 737 A CB -0.571 18.444 19.000 0.024 0.000 0.805 737 A HN 0.498 nan 8.150 nan 0.000 0.449 738 A N -2.781 120.053 122.820 0.024 0.000 2.345 738 A HA 0.406 4.740 4.320 0.025 0.000 0.225 738 A C 0.831 178.429 177.584 0.025 0.000 1.243 738 A CA 1.123 53.188 52.037 0.047 0.000 0.875 738 A CB -0.397 18.591 19.000 -0.019 0.000 0.929 738 A HN 0.941 nan 8.150 nan 0.000 0.502 739 H N -1.146 117.859 119.070 -0.107 0.000 4.806 739 H HA -0.173 4.398 4.556 0.024 0.000 0.061 739 H C 0.007 175.114 175.328 -0.368 0.000 0.604 739 H CA 2.321 58.290 56.048 -0.132 0.000 0.938 739 H CB -0.632 29.163 29.762 0.054 0.000 0.431 739 H HN 0.453 nan 8.280 nan 0.000 0.803 740 R N -0.260 119.658 120.500 -0.970 0.000 2.836 740 R HA 0.635 4.989 4.340 0.025 0.000 0.269 740 R C -0.680 174.770 176.300 -1.418 0.000 1.010 740 R CA -0.306 54.989 56.100 -1.342 0.000 0.930 740 R CB 1.720 30.941 30.300 -1.799 0.000 1.218 740 R HN 0.077 nan 8.270 nan 0.000 0.473 741 V N 2.293 121.606 119.914 -1.002 0.000 2.174 741 V HA 0.108 4.243 4.120 0.025 0.000 0.259 741 V C 0.663 176.384 176.094 -0.623 0.000 1.261 741 V CA -0.452 61.437 62.300 -0.685 0.000 1.137 741 V CB -0.306 31.256 31.823 -0.437 0.000 1.290 741 V HN 0.713 nan 8.190 nan 0.000 0.486 742 W N 1.575 122.588 121.300 -0.478 0.000 2.364 742 W HA -0.200 4.475 4.660 0.024 0.000 0.281 742 W C 2.554 178.859 176.519 -0.356 0.000 1.219 742 W CA 0.935 57.905 57.345 -0.625 0.000 1.220 742 W CB -0.439 28.222 29.460 -1.333 0.000 1.127 742 W HN 0.654 nan 8.180 nan 0.000 0.556 743 S N 0.729 116.376 115.700 -0.088 0.000 2.469 743 S HA -0.184 4.301 4.470 0.025 0.000 0.238 743 S C 1.725 176.289 174.600 -0.061 0.000 0.998 743 S CA 1.047 59.221 58.200 -0.044 0.000 0.957 743 S CB -0.437 62.737 63.200 -0.043 0.000 0.764 743 S HN 0.421 nan 8.310 nan 0.000 0.514 744 R N 0.547 120.967 120.500 -0.133 0.000 2.275 744 R HA 0.263 4.617 4.340 0.025 0.000 0.199 744 R C 1.795 178.027 176.300 -0.114 0.000 0.989 744 R CA 0.358 56.356 56.100 -0.169 0.000 1.016 744 R CB -0.347 29.737 30.300 -0.360 0.000 0.918 744 R HN 0.483 nan 8.270 nan 0.000 0.473 745 I N 1.652 122.196 120.570 -0.044 0.000 2.151 745 I HA -0.242 3.943 4.170 0.025 0.000 0.243 745 I C -0.826 175.316 176.117 0.041 0.000 1.080 745 I CA 1.448 62.766 61.300 0.030 0.000 1.339 745 I CB -0.884 37.185 38.000 0.115 0.000 1.039 745 I HN 0.148 nan 8.210 nan 0.000 0.409 746 P HA -0.152 nan 4.420 nan 0.000 0.220 746 P C 1.221 178.550 177.300 0.049 0.000 1.148 746 P CA 1.334 64.464 63.100 0.050 0.000 0.803 746 P CB 0.040 31.767 31.700 0.046 0.000 0.782 747 K N -0.364 120.058 120.400 0.038 0.000 2.228 747 K HA 0.026 4.361 4.320 0.025 0.000 0.202 747 K C 1.950 178.611 176.600 0.103 0.000 1.051 747 K CA 0.768 57.101 56.287 0.077 0.000 0.960 747 K CB -0.764 31.807 32.500 0.118 0.000 0.743 747 K HN 0.291 nan 8.250 nan 0.000 0.458 748 I N -2.058 118.539 120.570 0.045 0.000 2.876 748 I HA -0.005 4.179 4.170 0.025 0.000 0.264 748 I C 1.341 177.499 176.117 0.069 0.000 1.204 748 I CA 1.142 62.475 61.300 0.054 0.000 1.485 748 I CB -0.158 37.818 38.000 -0.040 0.000 1.103 748 I HN -0.059 nan 8.210 nan 0.000 0.446 749 D N 2.820 123.261 120.400 0.068 0.000 2.280 749 D HA -0.238 4.416 4.640 0.025 0.000 0.206 749 D C 1.762 178.105 176.300 0.071 0.000 0.988 749 D CA 1.726 55.772 54.000 0.075 0.000 0.886 749 D CB 0.138 40.983 40.800 0.075 0.000 0.914 749 D HN 0.649 nan 8.370 nan 0.000 0.473 750 K N -0.532 119.909 120.400 0.069 0.000 2.447 750 K HA 0.168 4.503 4.320 0.025 0.000 0.205 750 K C 0.484 177.120 176.600 0.059 0.000 1.059 750 K CA -0.431 55.892 56.287 0.061 0.000 1.065 750 K CB 0.467 32.998 32.500 0.053 0.000 0.885 750 K HN 0.156 nan 8.250 nan 0.000 0.545 751 I N 4.580 125.192 120.570 0.070 0.000 2.618 751 I HA 0.051 4.236 4.170 0.025 0.000 0.284 751 I C -2.059 174.090 176.117 0.055 0.000 1.146 751 I CA -1.961 59.378 61.300 0.065 0.000 1.425 751 I CB 0.938 38.993 38.000 0.092 0.000 1.383 751 I HN 0.034 nan 8.210 nan 0.000 0.562 752 P HA 0.368 nan 4.420 nan 0.000 0.241 752 P C -1.025 176.331 177.300 0.094 0.000 1.780 752 P CA -0.091 63.046 63.100 0.062 0.000 1.111 752 P CB 0.437 32.168 31.700 0.051 0.000 1.852 753 A N 0.000 122.878 122.820 0.096 0.000 2.254 753 A HA 0.000 4.335 4.320 0.025 0.000 0.244 753 A CA 0.000 52.138 52.037 0.168 0.000 0.836 753 A CB 0.000 19.001 19.000 0.002 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486