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 2xuh_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcPXX XXXGNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSAFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.613 176.600 0.022 0.000 1.382 1 E CA 0.000 56.415 56.400 0.026 0.000 0.976 1 E CB 0.000 29.717 29.700 0.028 0.000 0.812 2 G N 1.176 109.986 108.800 0.017 0.000 3.286 2 G HA2 0.384 4.347 3.960 0.004 0.000 0.303 2 G HA3 0.384 4.347 3.960 0.004 0.000 0.303 2 G C 0.215 175.122 174.900 0.013 0.000 0.974 2 G CA -0.264 44.844 45.100 0.014 0.000 1.635 2 G HN -0.053 nan 8.290 nan 0.000 0.535 3 R N -0.086 120.422 120.500 0.014 0.000 2.435 3 R HA 0.062 4.404 4.340 0.004 0.000 0.276 3 R C 0.593 176.901 176.300 0.014 0.000 0.866 3 R CA 0.090 56.197 56.100 0.012 0.000 1.085 3 R CB 0.317 30.622 30.300 0.008 0.000 1.751 3 R HN 0.747 nan 8.270 nan 0.000 0.463 4 E N 0.375 120.586 120.200 0.018 0.000 2.254 4 E HA 0.241 4.594 4.350 0.004 0.000 0.258 4 E C -0.744 175.875 176.600 0.032 0.000 1.033 4 E CA -0.766 55.647 56.400 0.021 0.000 0.893 4 E CB 0.969 30.681 29.700 0.020 0.000 1.204 4 E HN -0.273 nan 8.360 nan 0.000 0.425 5 D N 1.780 122.205 120.400 0.043 0.000 2.363 5 D HA 0.017 4.659 4.640 0.004 0.000 0.263 5 D C -1.265 175.073 176.300 0.063 0.000 1.258 5 D CA -2.103 51.938 54.000 0.067 0.000 0.907 5 D CB 0.969 41.832 40.800 0.104 0.000 1.107 5 D HN 0.193 nan 8.370 nan 0.000 0.495 6 P HA -0.159 nan 4.420 nan 0.000 0.231 6 P C 0.814 178.129 177.300 0.024 0.000 1.158 6 P CA 0.707 63.825 63.100 0.029 0.000 0.763 6 P CB 0.455 32.162 31.700 0.013 0.000 0.805 7 Q N -0.350 119.466 119.800 0.026 0.000 2.319 7 Q HA 0.161 4.503 4.340 0.004 0.000 0.202 7 Q C 1.384 177.443 176.000 0.098 0.000 0.896 7 Q CA 0.429 56.222 55.803 -0.017 0.000 0.942 7 Q CB -0.463 28.147 28.738 -0.213 0.000 1.083 7 Q HN 0.214 nan 8.270 nan 0.000 0.510 8 L N 0.071 121.379 121.223 0.141 0.000 2.959 8 L HA 0.363 4.706 4.340 0.004 0.000 0.259 8 L C -0.568 176.462 176.870 0.268 0.000 1.185 8 L CA -0.143 54.812 54.840 0.191 0.000 0.998 8 L CB 0.561 42.650 42.059 0.050 0.000 1.337 8 L HN 0.045 nan 8.230 nan 0.000 0.555 9 L N 0.909 122.247 121.223 0.193 0.000 2.262 9 L HA 0.538 4.880 4.340 0.004 0.000 0.288 9 L C -0.666 176.259 176.870 0.093 0.000 1.035 9 L CA -0.427 54.509 54.840 0.159 0.000 0.820 9 L CB 1.591 43.702 42.059 0.087 0.000 1.204 9 L HN -0.202 nan 8.230 nan 0.000 0.424 10 V N 3.317 123.269 119.914 0.063 0.000 2.876 10 V HA 0.517 4.639 4.120 0.004 0.000 0.312 10 V C -0.321 175.697 176.094 -0.126 0.000 1.085 10 V CA -0.783 61.403 62.300 -0.189 0.000 0.945 10 V CB 2.812 34.242 31.823 -0.654 0.000 1.017 10 V HN 0.730 nan 8.190 nan 0.000 0.428 11 R N 2.130 122.525 120.500 -0.174 0.000 2.532 11 R HA 0.847 5.189 4.340 0.004 0.000 0.295 11 R C -0.942 175.275 176.300 -0.140 0.000 0.968 11 R CA -0.320 55.719 56.100 -0.101 0.000 0.916 11 R CB 1.881 32.121 30.300 -0.099 0.000 1.124 11 R HN 0.686 nan 8.270 nan 0.000 0.463 12 V N 1.330 121.218 119.914 -0.044 0.000 3.164 12 V HA 0.502 4.624 4.120 0.004 0.000 0.313 12 V C 1.048 177.065 176.094 -0.128 0.000 1.188 12 V CA -1.041 61.223 62.300 -0.059 0.000 1.058 12 V CB 1.550 33.471 31.823 0.164 0.000 1.110 12 V HN 0.842 nan 8.190 nan 0.000 0.453 13 R N 1.366 121.775 120.500 -0.151 0.000 2.133 13 R HA -0.050 4.292 4.340 0.004 0.000 0.247 13 R C 1.799 177.963 176.300 -0.226 0.000 1.151 13 R CA 2.500 58.506 56.100 -0.156 0.000 0.971 13 R CB -1.171 29.056 30.300 -0.121 0.000 0.866 13 R HN 1.053 nan 8.270 nan 0.000 0.447 14 G N -2.118 106.504 108.800 -0.297 0.000 2.777 14 G HA2 0.385 4.347 3.960 0.004 0.000 0.211 14 G HA3 0.385 4.347 3.960 0.004 0.000 0.211 14 G C 0.346 174.261 174.900 -1.642 0.000 1.149 14 G CA 0.388 45.015 45.100 -0.789 0.000 0.785 14 G HN 0.733 nan 8.290 nan 0.000 0.536 15 G N -1.144 107.046 108.800 -1.016 0.000 2.350 15 G HA2 0.146 4.108 3.960 0.004 0.000 0.282 15 G HA3 0.146 4.108 3.960 0.004 0.000 0.282 15 G C -1.244 173.588 174.900 -0.113 0.000 1.314 15 G CA -0.961 43.664 45.100 -0.791 0.000 0.915 15 G HN 0.233 nan 8.290 nan 0.000 0.499 16 Q N -0.254 119.617 119.800 0.118 0.000 2.288 16 Q HA 0.619 4.961 4.340 0.004 0.000 0.254 16 Q C -0.382 175.876 176.000 0.431 0.000 0.932 16 Q CA -0.021 55.922 55.803 0.234 0.000 0.902 16 Q CB 1.398 30.229 28.738 0.154 0.000 1.203 16 Q HN 0.431 nan 8.270 nan 0.000 0.415 17 L N 1.853 123.279 121.223 0.339 0.000 2.354 17 L HA 0.625 4.967 4.340 0.004 0.000 0.269 17 L C -0.322 176.744 176.870 0.327 0.000 1.005 17 L CA -0.835 54.228 54.840 0.372 0.000 0.819 17 L CB 1.928 44.271 42.059 0.474 0.000 1.311 17 L HN 0.445 nan 8.230 nan 0.000 0.423 18 R N 0.706 121.359 120.500 0.255 0.000 2.393 18 R HA 0.671 5.013 4.340 0.004 0.000 0.315 18 R C -0.317 176.028 176.300 0.076 0.000 0.952 18 R CA -0.295 55.912 56.100 0.179 0.000 0.842 18 R CB 1.717 32.068 30.300 0.085 0.000 1.163 18 R HN 0.842 nan 8.270 nan 0.000 0.450 19 G N 3.309 112.033 108.800 -0.126 0.000 2.736 19 G HA2 0.507 4.469 3.960 0.004 0.000 0.229 19 G HA3 0.507 4.469 3.960 0.004 0.000 0.229 19 G C -1.056 173.597 174.900 -0.413 0.000 1.380 19 G CA -0.673 44.062 45.100 -0.608 0.000 1.040 19 G HN 0.561 nan 8.290 nan 0.000 0.568 20 I N -0.421 119.867 120.570 -0.470 0.000 2.619 20 I HA 0.428 4.601 4.170 0.004 0.000 0.292 20 I C -0.206 175.773 176.117 -0.231 0.000 1.100 20 I CA -0.999 60.134 61.300 -0.278 0.000 1.043 20 I CB 2.081 39.928 38.000 -0.255 0.000 1.239 20 I HN 0.410 nan 8.210 nan 0.000 0.420 21 R N 7.971 128.363 120.500 -0.181 0.000 2.288 21 R HA 0.402 4.744 4.340 0.004 0.000 0.330 21 R C -1.592 174.575 176.300 -0.223 0.000 1.069 21 R CA -0.136 55.809 56.100 -0.259 0.000 0.941 21 R CB 0.281 30.350 30.300 -0.385 0.000 0.998 21 R HN 0.622 nan 8.270 nan 0.000 0.452 22 L N 3.794 124.909 121.223 -0.181 0.000 2.344 22 L HA 0.429 4.771 4.340 0.004 0.000 0.272 22 L C 0.146 176.936 176.870 -0.134 0.000 1.035 22 L CA -0.776 53.987 54.840 -0.128 0.000 0.807 22 L CB 1.671 43.694 42.059 -0.059 0.000 1.237 22 L HN 0.498 nan 8.230 nan 0.000 0.442 23 K N 1.629 121.961 120.400 -0.112 0.000 2.211 23 K HA 0.685 5.007 4.320 0.004 0.000 0.275 23 K C -0.940 175.602 176.600 -0.098 0.000 1.024 23 K CA -0.316 55.912 56.287 -0.099 0.000 0.887 23 K CB 1.458 33.912 32.500 -0.077 0.000 1.084 23 K HN 0.704 nan 8.250 nan 0.000 0.463 24 A N 4.993 127.759 122.820 -0.090 0.000 2.386 24 A HA 0.524 4.847 4.320 0.004 0.000 0.308 24 A C -2.197 175.388 177.584 0.001 0.000 1.128 24 A CA -1.723 50.259 52.037 -0.091 0.000 0.789 24 A CB 0.977 19.884 19.000 -0.155 0.000 1.325 24 A HN 0.617 nan 8.150 nan 0.000 0.437 25 P HA -0.129 nan 4.420 nan 0.000 0.215 25 P C 1.497 178.824 177.300 0.046 0.000 1.157 25 P CA 2.223 65.367 63.100 0.073 0.000 0.874 25 P CB 0.157 31.925 31.700 0.113 0.000 0.790 26 G N -2.043 106.788 108.800 0.052 0.000 2.572 26 G HA2 0.348 4.310 3.960 0.004 0.000 0.216 26 G HA3 0.348 4.310 3.960 0.004 0.000 0.216 26 G C 0.661 175.578 174.900 0.028 0.000 1.133 26 G CA 0.683 45.807 45.100 0.039 0.000 0.791 26 G HN 0.659 nan 8.290 nan 0.000 0.538 27 G N -0.848 107.961 108.800 0.015 0.000 2.356 27 G HA2 0.353 4.316 3.960 0.004 0.000 0.288 27 G HA3 0.353 4.316 3.960 0.004 0.000 0.288 27 G C -3.345 171.541 174.900 -0.022 0.000 1.302 27 G CA -0.538 44.564 45.100 0.003 0.000 0.887 27 G HN 0.067 nan 8.290 nan 0.000 0.521 28 P HA 0.521 nan 4.420 nan 0.000 0.277 28 P C -0.107 177.186 177.300 -0.013 0.000 1.240 28 P CA -0.238 62.782 63.100 -0.133 0.000 0.798 28 P CB 1.621 33.103 31.700 -0.363 0.000 0.979 29 V N -1.146 118.756 119.914 -0.020 0.000 2.962 29 V HA 0.637 4.759 4.120 0.004 0.000 0.313 29 V C -0.385 175.796 176.094 0.146 0.000 1.099 29 V CA -0.861 61.518 62.300 0.131 0.000 0.971 29 V CB 1.840 33.746 31.823 0.139 0.000 1.028 29 V HN 0.434 nan 8.190 nan 0.000 0.430 30 S N 2.165 118.032 115.700 0.278 0.000 2.525 30 S HA 0.863 5.335 4.470 0.004 0.000 0.278 30 S C 0.091 174.739 174.600 0.079 0.000 1.234 30 S CA 0.054 58.382 58.200 0.213 0.000 1.058 30 S CB 1.269 64.708 63.200 0.398 0.000 0.983 30 S HN 1.629 nan 8.310 nan 0.000 0.495 31 A N 2.265 124.936 122.820 -0.250 0.000 2.414 31 A HA 0.822 5.145 4.320 0.004 0.000 0.306 31 A C -1.344 175.848 177.584 -0.653 0.000 1.054 31 A CA -0.664 51.115 52.037 -0.430 0.000 0.724 31 A CB 0.681 19.323 19.000 -0.598 0.000 1.267 31 A HN 0.681 nan 8.150 nan 0.000 0.418 32 F N 2.396 122.169 119.950 -0.296 0.000 2.552 32 F HA 0.423 4.952 4.527 0.003 0.000 0.369 32 F C -0.304 175.317 175.800 -0.299 0.000 1.112 32 F CA -0.230 57.677 58.000 -0.155 0.000 1.129 32 F CB 1.186 40.241 39.000 0.090 0.000 1.360 32 F HN 0.358 nan 8.300 nan 0.000 0.473 33 L N 1.781 122.835 121.223 -0.282 0.000 2.322 33 L HA 0.735 5.077 4.340 0.004 0.000 0.279 33 L C 0.989 177.757 176.870 -0.170 0.000 1.036 33 L CA -0.929 53.694 54.840 -0.361 0.000 0.807 33 L CB 1.523 43.139 42.059 -0.738 0.000 1.226 33 L HN 0.774 nan 8.230 nan 0.000 0.433 34 G N 2.957 111.724 108.800 -0.056 0.000 2.212 34 G HA2 -0.242 3.720 3.960 0.004 0.000 0.255 34 G HA3 -0.242 3.720 3.960 0.004 0.000 0.255 34 G C -0.209 174.743 174.900 0.088 0.000 1.062 34 G CA -0.422 44.659 45.100 -0.031 0.000 0.815 34 G HN 0.482 nan 8.290 nan 0.000 0.497 35 I N 2.220 122.859 120.570 0.115 0.000 2.337 35 I HA 0.248 4.420 4.170 0.004 0.000 0.291 35 I C -1.513 174.681 176.117 0.129 0.000 1.046 35 I CA -2.223 59.134 61.300 0.095 0.000 1.324 35 I CB 1.105 39.113 38.000 0.013 0.000 1.409 35 I HN -0.039 nan 8.210 nan 0.000 0.494 36 P HA 0.024 nan 4.420 nan 0.000 0.276 36 P C -0.157 177.101 177.300 -0.070 0.000 1.235 36 P CA 0.054 63.037 63.100 -0.194 0.000 0.772 36 P CB 0.459 32.038 31.700 -0.203 0.000 0.871 37 F N 1.310 121.116 119.950 -0.240 0.000 2.706 37 F HA 0.689 5.219 4.527 0.004 0.000 0.308 37 F C 0.183 175.985 175.800 0.003 0.000 1.095 37 F CA -0.602 57.328 58.000 -0.117 0.000 1.244 37 F CB 0.217 39.042 39.000 -0.292 0.000 1.063 37 F HN 0.299 nan 8.300 nan 0.000 0.582 38 A N 0.239 122.738 122.820 -0.535 0.000 2.527 38 A HA 0.578 4.901 4.320 0.004 0.000 0.293 38 A C -0.769 176.654 177.584 -0.267 0.000 1.117 38 A CA -0.788 51.059 52.037 -0.316 0.000 0.723 38 A CB 0.973 19.733 19.000 -0.401 0.000 1.313 38 A HN 0.075 nan 8.150 nan 0.000 0.411 39 E N 1.240 121.363 120.200 -0.129 0.000 2.384 39 E HA 0.221 4.573 4.350 0.004 0.000 0.266 39 E C -2.295 174.213 176.600 -0.154 0.000 1.012 39 E CA -1.279 55.061 56.400 -0.100 0.000 0.901 39 E CB 0.031 29.710 29.700 -0.034 0.000 0.967 39 E HN 0.236 nan 8.360 nan 0.000 0.435 40 P HA -0.011 nan 4.420 nan 0.000 0.260 40 P C -2.216 175.023 177.300 -0.101 0.000 1.185 40 P CA -0.729 62.289 63.100 -0.136 0.000 0.763 40 P CB -0.105 31.551 31.700 -0.074 0.000 0.776 41 P HA 0.010 nan 4.420 nan 0.000 0.220 41 P C -0.128 177.123 177.300 -0.082 0.000 1.778 41 P CA 0.016 63.067 63.100 -0.082 0.000 0.912 41 P CB -0.179 31.477 31.700 -0.075 0.000 1.861 42 V N -3.033 116.837 119.914 -0.073 0.000 2.973 42 V HA 0.875 4.997 4.120 0.004 0.000 0.314 42 V C 1.019 177.075 176.094 -0.064 0.000 1.066 42 V CA 0.293 62.549 62.300 -0.073 0.000 1.021 42 V CB 0.611 32.401 31.823 -0.055 0.000 1.076 42 V HN 0.535 nan 8.190 nan 0.000 0.462 43 G N 2.649 111.409 108.800 -0.066 0.000 2.565 43 G HA2 -0.349 3.614 3.960 0.004 0.000 0.295 43 G HA3 -0.349 3.614 3.960 0.004 0.000 0.295 43 G C 1.260 176.131 174.900 -0.047 0.000 1.165 43 G CA 1.538 46.610 45.100 -0.047 0.000 0.977 43 G HN 2.381 nan 8.290 nan 0.000 0.546 44 S N 0.650 116.336 115.700 -0.024 0.000 2.507 44 S HA 0.033 4.505 4.470 0.004 0.000 0.235 44 S C 1.955 176.548 174.600 -0.011 0.000 0.988 44 S CA 1.626 59.822 58.200 -0.007 0.000 0.944 44 S CB -0.116 63.088 63.200 0.006 0.000 0.762 44 S HN 0.725 nan 8.310 nan 0.000 0.526 45 R N 0.591 121.071 120.500 -0.033 0.000 2.317 45 R HA 0.270 4.612 4.340 0.004 0.000 0.208 45 R C 0.908 177.165 176.300 -0.071 0.000 0.914 45 R CA -0.247 55.834 56.100 -0.031 0.000 1.060 45 R CB 0.002 30.285 30.300 -0.029 0.000 1.015 45 R HN 0.351 nan 8.270 nan 0.000 0.498 46 R N 0.955 121.359 120.500 -0.160 0.000 2.570 46 R HA -0.109 4.233 4.340 0.004 0.000 0.277 46 R C -0.337 175.723 176.300 -0.399 0.000 1.039 46 R CA 0.496 56.360 56.100 -0.393 0.000 1.065 46 R CB 0.153 30.076 30.300 -0.628 0.000 0.964 46 R HN 0.132 nan 8.270 nan 0.000 0.428 47 F N -0.745 119.227 119.950 0.036 0.000 2.825 47 F HA -0.338 4.191 4.527 0.003 0.000 0.358 47 F C 0.233 176.035 175.800 0.003 0.000 0.639 47 F CA 0.698 58.697 58.000 -0.001 0.000 1.153 47 F CB -1.728 37.258 39.000 -0.023 0.000 1.610 47 F HN 0.459 nan 8.300 nan 0.000 0.305 48 M N 1.325 120.999 119.600 0.124 0.000 2.288 48 M HA 0.359 4.841 4.480 0.004 0.000 0.334 48 M C -1.903 174.436 176.300 0.065 0.000 1.150 48 M CA -1.403 53.951 55.300 0.090 0.000 1.118 48 M CB 0.379 33.017 32.600 0.063 0.000 1.501 48 M HN -0.364 nan 8.290 nan 0.000 0.462 49 P HA 0.041 nan 4.420 nan 0.000 0.265 49 P C -2.375 174.961 177.300 0.060 0.000 1.187 49 P CA -0.401 62.742 63.100 0.072 0.000 0.766 49 P CB -0.453 31.297 31.700 0.084 0.000 0.820 50 P HA 0.097 nan 4.420 nan 0.000 0.271 50 P C -0.571 176.764 177.300 0.059 0.000 1.216 50 P CA 0.042 63.169 63.100 0.045 0.000 0.776 50 P CB 0.606 32.347 31.700 0.068 0.000 0.881 51 E N 4.094 124.314 120.200 0.032 0.000 2.191 51 E HA 0.392 4.744 4.350 0.004 0.000 0.278 51 E C -2.389 174.243 176.600 0.053 0.000 0.972 51 E CA -2.838 53.590 56.400 0.047 0.000 0.804 51 E CB 0.598 30.318 29.700 0.034 0.000 1.110 51 E HN 0.232 nan 8.360 nan 0.000 0.394 52 P HA -0.072 nan 4.420 nan 0.000 0.264 52 P C -1.054 176.314 177.300 0.112 0.000 1.183 52 P CA 0.016 63.194 63.100 0.131 0.000 0.763 52 P CB 0.358 32.139 31.700 0.134 0.000 0.807 53 K N 4.129 124.614 120.400 0.142 0.000 2.484 53 K HA -0.001 4.321 4.320 0.004 0.000 0.280 53 K C 0.100 176.812 176.600 0.187 0.000 1.013 53 K CA 0.527 56.905 56.287 0.151 0.000 1.029 53 K CB 0.166 32.804 32.500 0.230 0.000 0.902 53 K HN 0.289 nan 8.250 nan 0.000 0.481 54 R N 5.205 125.802 120.500 0.162 0.000 2.490 54 R HA 0.204 4.546 4.340 0.004 0.000 0.280 54 R C -1.997 174.418 176.300 0.193 0.000 1.077 54 R CA -1.781 54.402 56.100 0.139 0.000 1.065 54 R CB 0.304 30.665 30.300 0.103 0.000 1.003 54 R HN 0.597 nan 8.270 nan 0.000 0.470 55 P HA -0.089 nan 4.420 nan 0.000 0.267 55 P C -1.124 176.216 177.300 0.067 0.000 1.201 55 P CA 0.163 63.203 63.100 -0.099 0.000 0.775 55 P CB 0.304 31.904 31.700 -0.167 0.000 0.854 56 W N 0.713 122.050 121.300 0.062 0.000 2.706 56 W HA 0.679 5.341 4.660 0.003 0.000 0.346 56 W C -0.648 175.899 176.519 0.047 0.000 1.071 56 W CA -0.988 56.390 57.345 0.055 0.000 1.206 56 W CB 0.197 29.697 29.460 0.067 0.000 1.413 56 W HN 0.365 nan 8.180 nan 0.000 0.542 57 S N 1.803 117.647 115.700 0.241 0.000 2.617 57 S HA 0.851 5.323 4.470 0.004 0.000 0.283 57 S C 0.392 175.149 174.600 0.261 0.000 1.189 57 S CA 0.031 58.324 58.200 0.155 0.000 1.036 57 S CB 0.919 64.177 63.200 0.096 0.000 1.014 57 S HN 2.146 nan 8.310 nan 0.000 0.522 58 G N -0.029 108.884 108.800 0.188 0.000 2.828 58 G HA2 -0.106 3.856 3.960 0.004 0.000 0.463 58 G HA3 -0.106 3.856 3.960 0.004 0.000 0.463 58 G C -0.738 174.325 174.900 0.272 0.000 1.394 58 G CA -0.497 44.714 45.100 0.184 0.000 0.862 58 G HN 1.604 nan 8.290 nan 0.000 0.540 59 V N 0.970 121.000 119.914 0.194 0.000 2.385 59 V HA 0.472 4.594 4.120 0.004 0.000 0.269 59 V C 1.094 177.286 176.094 0.163 0.000 1.043 59 V CA -0.211 62.213 62.300 0.206 0.000 0.906 59 V CB 1.067 32.970 31.823 0.134 0.000 0.995 59 V HN 0.806 nan 8.190 nan 0.000 0.467 60 L N 4.591 125.930 121.223 0.194 0.000 2.410 60 L HA 0.284 4.626 4.340 0.004 0.000 0.273 60 L C 0.611 177.485 176.870 0.007 0.000 1.152 60 L CA 0.187 54.998 54.840 -0.047 0.000 0.855 60 L CB 0.629 42.466 42.059 -0.371 0.000 1.129 60 L HN 0.680 nan 8.230 nan 0.000 0.463 61 D N 4.572 124.943 120.400 -0.048 0.000 2.325 61 D HA 0.204 4.846 4.640 0.004 0.000 0.251 61 D C -0.392 175.870 176.300 -0.062 0.000 1.196 61 D CA 0.015 53.991 54.000 -0.040 0.000 0.866 61 D CB 1.534 42.298 40.800 -0.060 0.000 1.101 61 D HN 0.675 nan 8.370 nan 0.000 0.476 62 A N 3.088 125.890 122.820 -0.030 0.000 2.855 62 A HA 0.170 4.492 4.320 0.004 0.000 0.301 62 A C 1.042 178.532 177.584 -0.156 0.000 1.076 62 A CA -0.413 51.599 52.037 -0.041 0.000 1.004 62 A CB -0.128 18.954 19.000 0.136 0.000 1.152 62 A HN 0.552 nan 8.150 nan 0.000 0.531 63 T N -3.092 111.353 114.554 -0.183 0.000 3.069 63 T HA 0.268 4.621 4.350 0.004 0.000 0.252 63 T C 0.653 175.181 174.700 -0.287 0.000 1.053 63 T CA 0.778 62.737 62.100 -0.236 0.000 0.964 63 T CB -0.258 68.504 68.868 -0.177 0.000 1.005 63 T HN 0.761 nan 8.240 nan 0.000 0.532 64 T N -0.610 113.772 114.554 -0.287 0.000 2.923 64 T HA 0.660 5.012 4.350 0.004 0.000 0.311 64 T C -0.719 173.803 174.700 -0.297 0.000 1.183 64 T CA -0.939 60.974 62.100 -0.312 0.000 1.020 64 T CB 0.913 69.674 68.868 -0.179 0.000 1.165 64 T HN -0.012 nan 8.240 nan 0.000 0.482 65 F N 1.838 121.713 119.950 -0.124 0.000 2.626 65 F HA 0.445 4.974 4.527 0.004 0.000 0.354 65 F C 1.023 176.720 175.800 -0.172 0.000 1.168 65 F CA 0.129 58.058 58.000 -0.118 0.000 1.368 65 F CB 0.430 39.389 39.000 -0.068 0.000 1.092 65 F HN 0.789 nan 8.300 nan 0.000 0.612 66 Q N 1.211 121.029 119.800 0.028 0.000 2.576 66 Q HA 0.381 4.723 4.340 0.004 0.000 0.249 66 Q C -0.760 175.150 176.000 -0.149 0.000 1.041 66 Q CA -0.821 54.837 55.803 -0.243 0.000 0.928 66 Q CB 0.798 29.125 28.738 -0.685 0.000 1.302 66 Q HN 0.509 nan 8.270 nan 0.000 0.504 67 N N -0.259 118.321 118.700 -0.200 0.000 2.395 67 N HA 0.053 4.795 4.740 0.004 0.000 0.246 67 N C -0.873 174.615 175.510 -0.038 0.000 1.246 67 N CA 0.115 53.109 53.050 -0.093 0.000 0.879 67 N CB 0.408 38.857 38.487 -0.062 0.000 1.098 67 N HN 0.340 nan 8.380 nan 0.000 0.444 68 V N 1.748 121.611 119.914 -0.085 0.000 2.732 68 V HA 0.087 4.209 4.120 0.004 0.000 0.297 68 V C 0.674 176.708 176.094 -0.101 0.000 1.060 68 V CA -0.762 61.477 62.300 -0.102 0.000 1.038 68 V CB 1.062 32.785 31.823 -0.167 0.000 1.003 68 V HN 0.711 nan 8.190 nan 0.000 0.481 69 c N 3.687 122.246 118.600 -0.069 0.000 2.676 69 c HA 0.191 4.763 4.570 0.004 0.000 0.416 69 c C 0.425 174.455 174.090 -0.100 0.000 1.299 69 c CA -0.724 55.569 56.329 -0.059 0.000 2.048 69 c CB -0.733 41.778 42.510 0.002 0.000 2.713 69 c HN 0.747 nan 8.230 nan 0.000 0.624 70 Y N 3.198 123.341 120.300 -0.263 0.000 2.717 70 Y HA 0.246 4.798 4.550 0.004 0.000 0.330 70 Y C 0.836 176.741 175.900 0.008 0.000 1.217 70 Y CA 1.117 59.061 58.100 -0.261 0.000 1.506 70 Y CB 0.171 38.232 38.460 -0.665 0.000 1.268 70 Y HN 0.750 nan 8.280 nan 0.000 0.561 71 Q N 3.697 123.588 119.800 0.152 0.000 2.702 71 Q HA 0.189 4.531 4.340 0.004 0.000 0.289 71 Q C -1.877 174.281 176.000 0.264 0.000 0.923 71 Q CA -1.201 54.774 55.803 0.286 0.000 0.787 71 Q CB 1.110 29.941 28.738 0.154 0.000 1.476 71 Q HN 0.666 nan 8.270 nan 0.000 0.402 72 Y N 1.236 121.678 120.300 0.237 0.000 2.620 72 Y HA 0.327 4.879 4.550 0.003 0.000 0.330 72 Y C -0.855 175.098 175.900 0.089 0.000 1.186 72 Y CA 0.174 58.366 58.100 0.155 0.000 1.467 72 Y CB 0.864 39.397 38.460 0.122 0.000 1.262 72 Y HN 0.431 nan 8.280 nan 0.000 0.550 73 V N 7.179 126.761 119.914 -0.553 0.000 2.370 73 V HA 0.072 4.194 4.120 0.004 0.000 0.279 73 V C 0.042 175.685 176.094 -0.751 0.000 1.029 73 V CA -1.072 60.953 62.300 -0.460 0.000 0.870 73 V CB 1.207 32.853 31.823 -0.296 0.000 0.984 73 V HN 0.786 nan 8.190 nan 0.000 0.451 74 D N 3.457 123.645 120.400 -0.354 0.000 2.443 74 D HA 0.077 4.720 4.640 0.004 0.000 0.239 74 D C 0.771 177.031 176.300 -0.067 0.000 1.136 74 D CA 0.684 54.617 54.000 -0.112 0.000 0.879 74 D CB 1.682 42.602 40.800 0.201 0.000 1.195 74 D HN 0.767 nan 8.370 nan 0.000 0.443 75 T N 0.890 115.451 114.554 0.012 0.000 3.046 75 T HA -0.039 4.313 4.350 0.004 0.000 0.270 75 T C 1.820 176.522 174.700 0.003 0.000 0.920 75 T CA -0.376 61.725 62.100 0.002 0.000 0.874 75 T CB -0.001 68.844 68.868 -0.039 0.000 1.214 75 T HN 0.246 nan 8.240 nan 0.000 0.536 76 L N 1.120 122.344 121.223 0.001 0.000 2.085 76 L HA -0.062 4.280 4.340 0.004 0.000 0.218 76 L C -0.341 176.217 176.870 -0.520 0.000 1.080 76 L CA 1.790 56.462 54.840 -0.279 0.000 0.776 76 L CB -0.549 41.301 42.059 -0.348 0.000 0.891 76 L HN 0.470 nan 8.230 nan 0.000 0.437 77 Y N -0.262 120.087 120.300 0.083 0.000 2.609 77 Y HA 0.398 4.950 4.550 0.004 0.000 0.350 77 Y C -2.200 173.746 175.900 0.077 0.000 1.050 77 Y CA -3.074 55.044 58.100 0.030 0.000 1.290 77 Y CB 0.108 38.532 38.460 -0.060 0.000 1.094 77 Y HN 0.041 nan 8.280 nan 0.000 0.583 78 P HA 0.138 nan 4.420 nan 0.000 0.268 78 P C 0.990 178.349 177.300 0.098 0.000 1.204 78 P CA 1.186 64.340 63.100 0.090 0.000 0.768 78 P CB 1.420 33.143 31.700 0.039 0.000 0.842 79 G N 2.381 111.220 108.800 0.065 0.000 2.225 79 G HA2 -0.290 3.672 3.960 0.004 0.000 0.254 79 G HA3 -0.290 3.672 3.960 0.004 0.000 0.254 79 G C -0.137 174.797 174.900 0.058 0.000 0.988 79 G CA -0.178 44.943 45.100 0.035 0.000 0.625 79 G HN 0.555 nan 8.290 nan 0.000 0.527 80 F N 3.089 122.987 119.950 -0.086 0.000 2.472 80 F HA 0.508 5.037 4.527 0.003 0.000 0.364 80 F C 1.524 177.206 175.800 -0.197 0.000 1.090 80 F CA -0.625 57.275 58.000 -0.167 0.000 1.188 80 F CB 0.595 39.478 39.000 -0.195 0.000 1.105 80 F HN 0.222 nan 8.300 nan 0.000 0.536 81 E N 3.605 123.373 120.200 -0.721 0.000 2.118 81 E HA -0.172 4.181 4.350 0.004 0.000 0.195 81 E C 2.201 178.286 176.600 -0.860 0.000 0.992 81 E CA 1.207 57.212 56.400 -0.658 0.000 0.804 81 E CB -0.336 29.063 29.700 -0.502 0.000 0.741 81 E HN 0.973 nan 8.360 nan 0.000 0.458 82 G N 1.484 109.253 108.800 -1.718 0.000 2.475 82 G HA2 -0.320 3.643 3.960 0.004 0.000 0.220 82 G HA3 -0.320 3.643 3.960 0.004 0.000 0.220 82 G C 1.776 176.568 174.900 -0.180 0.000 1.125 82 G CA 1.814 46.140 45.100 -1.290 0.000 0.755 82 G HN 0.425 nan 8.290 nan 0.000 0.565 83 T N -2.296 112.177 114.554 -0.135 0.000 3.046 83 T HA 0.146 4.498 4.350 0.004 0.000 0.242 83 T C 1.928 176.702 174.700 0.124 0.000 1.018 83 T CA 0.736 63.036 62.100 0.333 0.000 1.131 83 T CB 0.040 69.202 68.868 0.490 0.000 0.904 83 T HN 0.086 nan 8.240 nan 0.000 0.459 84 E N 2.471 122.633 120.200 -0.064 0.000 2.118 84 E HA -0.133 4.219 4.350 0.004 0.000 0.195 84 E C 2.261 178.722 176.600 -0.232 0.000 0.992 84 E CA 1.517 57.844 56.400 -0.122 0.000 0.804 84 E CB -0.567 29.038 29.700 -0.158 0.000 0.741 84 E HN 0.799 nan 8.360 nan 0.000 0.458 85 M N -2.242 117.115 119.600 -0.404 0.000 2.446 85 M HA -0.084 4.398 4.480 0.004 0.000 0.263 85 M C 1.297 177.165 176.300 -0.720 0.000 1.066 85 M CA 1.427 56.343 55.300 -0.639 0.000 1.087 85 M CB -0.565 31.519 32.600 -0.860 0.000 1.406 85 M HN 0.017 nan 8.290 nan 0.000 0.459 86 W N 0.898 122.094 121.300 -0.174 0.000 3.114 86 W HA 0.281 4.943 4.660 0.003 0.000 0.279 86 W C 0.358 176.763 176.519 -0.190 0.000 1.277 86 W CA -0.978 56.250 57.345 -0.194 0.000 1.630 86 W CB -0.184 29.197 29.460 -0.130 0.000 1.087 86 W HN 0.105 nan 8.180 nan 0.000 0.637 87 N N 1.805 120.495 118.700 -0.017 0.000 2.482 87 N HA 0.121 4.864 4.740 0.004 0.000 0.260 87 N C -2.377 173.048 175.510 -0.141 0.000 1.236 87 N CA -1.490 51.519 53.050 -0.069 0.000 0.938 87 N CB -0.121 38.321 38.487 -0.075 0.000 1.128 87 N HN -0.318 nan 8.380 nan 0.000 0.448 88 P HA 0.038 nan 4.420 nan 0.000 0.264 88 P C 0.160 177.354 177.300 -0.177 0.000 1.183 88 P CA 0.144 63.133 63.100 -0.186 0.000 0.763 88 P CB 0.324 31.910 31.700 -0.190 0.000 0.807 89 N N 1.675 120.263 118.700 -0.188 0.000 2.238 89 N HA 0.108 4.850 4.740 0.004 0.000 0.235 89 N C 0.116 175.547 175.510 -0.131 0.000 1.209 89 N CA -0.129 52.823 53.050 -0.164 0.000 0.879 89 N CB 0.505 38.877 38.487 -0.191 0.000 1.136 89 N HN 0.137 nan 8.380 nan 0.000 0.517 90 R N 0.473 120.893 120.500 -0.134 0.000 2.846 90 R HA 0.281 4.623 4.340 0.004 0.000 0.263 90 R C -0.443 175.783 176.300 -0.124 0.000 1.080 90 R CA -0.596 55.442 56.100 -0.104 0.000 0.961 90 R CB 1.124 31.374 30.300 -0.083 0.000 1.231 90 R HN 0.442 nan 8.270 nan 0.000 0.465 91 E N 1.416 121.548 120.200 -0.113 0.000 2.366 91 E HA 0.185 4.537 4.350 0.004 0.000 0.266 91 E C -0.590 175.915 176.600 -0.160 0.000 1.051 91 E CA -0.367 55.958 56.400 -0.127 0.000 0.884 91 E CB 0.629 30.271 29.700 -0.097 0.000 1.006 91 E HN 0.324 nan 8.360 nan 0.000 0.417 92 L N 2.898 123.983 121.223 -0.230 0.000 2.360 92 L HA 0.251 4.593 4.340 0.004 0.000 0.276 92 L C 0.203 176.946 176.870 -0.212 0.000 1.121 92 L CA -0.102 54.517 54.840 -0.369 0.000 0.845 92 L CB 0.921 42.524 42.059 -0.761 0.000 1.143 92 L HN 0.579 nan 8.230 nan 0.000 0.452 93 S N 1.388 117.029 115.700 -0.100 0.000 2.537 93 S HA 0.229 4.702 4.470 0.004 0.000 0.270 93 S C 0.368 174.973 174.600 0.008 0.000 1.142 93 S CA -0.662 57.559 58.200 0.035 0.000 0.870 93 S CB 1.724 64.927 63.200 0.004 0.000 1.112 93 S HN 0.734 nan 8.310 nan 0.000 0.466 94 E N 0.926 121.107 120.200 -0.031 0.000 2.208 94 E HA -0.067 4.285 4.350 0.004 0.000 0.193 94 E C -0.298 176.256 176.600 -0.077 0.000 0.988 94 E CA 0.477 56.787 56.400 -0.150 0.000 0.828 94 E CB 0.097 29.674 29.700 -0.205 0.000 0.763 94 E HN 0.545 nan 8.360 nan 0.000 0.478 95 D N 0.401 120.789 120.400 -0.020 0.000 2.383 95 D HA -0.017 4.626 4.640 0.004 0.000 0.245 95 D C 0.071 176.458 176.300 0.145 0.000 1.263 95 D CA -0.171 53.847 54.000 0.030 0.000 0.936 95 D CB 0.124 40.960 40.800 0.060 0.000 1.053 95 D HN 0.150 nan 8.370 nan 0.000 0.507 96 c N 2.812 121.475 118.600 0.105 0.000 3.981 96 c HA 0.303 4.875 4.570 0.004 0.000 0.306 96 c C 0.515 174.696 174.090 0.151 0.000 2.005 96 c CA -0.640 55.813 56.329 0.206 0.000 1.655 96 c CB -1.134 41.418 42.510 0.071 0.000 3.164 96 c HN 0.468 nan 8.230 nan 0.000 0.554 97 L N 2.532 123.602 121.223 -0.255 0.000 2.384 97 L HA 0.402 4.744 4.340 0.004 0.000 0.258 97 L C -0.872 175.484 176.870 -0.858 0.000 1.266 97 L CA 0.563 55.070 54.840 -0.556 0.000 1.162 97 L CB -0.763 40.812 42.059 -0.807 0.000 1.375 97 L HN 0.404 nan 8.230 nan 0.000 0.420 98 Y N 1.603 121.921 120.300 0.029 0.000 2.570 98 Y HA 0.660 5.212 4.550 0.003 0.000 0.345 98 Y C 0.040 176.137 175.900 0.329 0.000 1.014 98 Y CA -1.194 56.987 58.100 0.135 0.000 1.063 98 Y CB 1.981 40.462 38.460 0.034 0.000 1.272 98 Y HN 0.194 nan 8.280 nan 0.000 0.477 99 L N -0.422 120.988 121.223 0.311 0.000 2.277 99 L HA 0.790 5.132 4.340 0.004 0.000 0.254 99 L C -1.322 175.565 176.870 0.027 0.000 1.044 99 L CA -1.120 53.780 54.840 0.100 0.000 0.842 99 L CB 1.673 43.593 42.059 -0.232 0.000 1.422 99 L HN 0.475 nan 8.230 nan 0.000 0.422 100 N N -0.313 118.401 118.700 0.023 0.000 2.225 100 N HA 0.713 5.455 4.740 0.004 0.000 0.298 100 N C -1.630 173.817 175.510 -0.104 0.000 1.076 100 N CA -0.401 52.598 53.050 -0.086 0.000 0.792 100 N CB 2.901 41.374 38.487 -0.024 0.000 1.498 100 N HN 0.494 nan 8.380 nan 0.000 0.474 101 V N 1.486 121.254 119.914 -0.244 0.000 2.525 101 V HA 0.456 4.578 4.120 0.004 0.000 0.299 101 V C -0.852 175.209 176.094 -0.055 0.000 1.034 101 V CA -0.757 61.484 62.300 -0.099 0.000 0.863 101 V CB 2.127 33.724 31.823 -0.376 0.000 0.999 101 V HN 0.548 nan 8.190 nan 0.000 0.423 102 W N 3.136 124.523 121.300 0.146 0.000 2.529 102 W HA 0.669 5.332 4.660 0.005 0.000 0.321 102 W C 0.235 176.856 176.519 0.170 0.000 1.047 102 W CA -0.427 57.013 57.345 0.159 0.000 1.216 102 W CB 2.446 31.979 29.460 0.123 0.000 1.357 102 W HN 0.648 nan 8.180 nan 0.000 0.489 103 T N 0.452 115.259 114.554 0.421 0.000 2.901 103 T HA 0.561 4.913 4.350 0.004 0.000 0.293 103 T C -2.805 172.071 174.700 0.292 0.000 1.084 103 T CA -2.474 59.826 62.100 0.333 0.000 1.008 103 T CB 2.390 71.472 68.868 0.358 0.000 1.170 103 T HN -0.086 nan 8.240 nan 0.000 0.509 104 P HA 0.240 nan 4.420 nan 0.000 0.271 104 P C -1.605 175.845 177.300 0.251 0.000 1.233 104 P CA -0.193 63.029 63.100 0.203 0.000 0.789 104 P CB 0.108 31.894 31.700 0.144 0.000 0.951 105 Y N 2.158 122.515 120.300 0.094 0.000 2.338 105 Y HA 0.428 4.980 4.550 0.003 0.000 0.333 105 Y C -2.232 173.704 175.900 0.059 0.000 0.968 105 Y CA -2.525 55.623 58.100 0.081 0.000 1.123 105 Y CB 1.204 39.701 38.460 0.062 0.000 1.165 105 Y HN 0.329 nan 8.280 nan 0.000 0.452 106 P HA 0.175 nan 4.420 nan 0.000 0.272 106 P C -0.890 176.364 177.300 -0.077 0.000 1.240 106 P CA -0.243 62.640 63.100 -0.361 0.000 0.791 106 P CB 1.002 32.533 31.700 -0.281 0.000 0.978 107 R N 1.133 121.609 120.500 -0.041 0.000 2.698 107 R HA 0.148 4.490 4.340 0.004 0.000 0.266 107 R C -1.701 174.622 176.300 0.038 0.000 1.026 107 R CA -1.085 55.052 56.100 0.062 0.000 1.102 107 R CB -0.831 29.522 30.300 0.089 0.000 0.978 107 R HN 0.457 nan 8.270 nan 0.000 0.436 108 P HA -0.068 nan 4.420 nan 0.000 0.264 108 P C -0.211 177.105 177.300 0.026 0.000 1.193 108 P CA 0.336 63.465 63.100 0.048 0.000 0.763 108 P CB 0.804 32.542 31.700 0.063 0.000 0.810 109 A N 3.183 126.012 122.820 0.015 0.000 2.014 109 A HA 0.006 4.328 4.320 0.004 0.000 0.218 109 A C 1.067 178.654 177.584 0.004 0.000 1.163 109 A CA 1.277 53.316 52.037 0.003 0.000 0.652 109 A CB -0.517 18.483 19.000 -0.000 0.000 0.808 109 A HN 0.670 nan 8.150 nan 0.000 0.449 110 S N -0.927 114.779 115.700 0.010 0.000 2.542 110 S HA 0.631 5.103 4.470 0.004 0.000 0.293 110 S C -3.271 171.337 174.600 0.014 0.000 1.089 110 S CA -1.869 56.335 58.200 0.007 0.000 0.961 110 S CB 1.472 64.675 63.200 0.005 0.000 1.062 110 S HN -0.016 nan 8.310 nan 0.000 0.483 111 P HA 0.193 nan 4.420 nan 0.000 0.260 111 P C -0.588 176.723 177.300 0.018 0.000 1.185 111 P CA 0.306 63.414 63.100 0.012 0.000 0.763 111 P CB 0.046 31.745 31.700 -0.002 0.000 0.776 112 T N 5.594 120.169 114.554 0.035 0.000 2.859 112 T HA 0.422 4.774 4.350 0.004 0.000 0.281 112 T C -2.421 172.302 174.700 0.039 0.000 1.005 112 T CA -1.822 60.301 62.100 0.040 0.000 1.025 112 T CB 0.914 69.818 68.868 0.060 0.000 0.977 112 T HN 0.140 nan 8.240 nan 0.000 0.458 113 P HA 0.171 nan 4.420 nan 0.000 0.265 113 P C -0.936 176.392 177.300 0.047 0.000 1.193 113 P CA -0.205 62.909 63.100 0.023 0.000 0.765 113 P CB 0.414 32.117 31.700 0.005 0.000 0.823 114 V N 5.024 124.974 119.914 0.059 0.000 2.483 114 V HA 0.360 4.482 4.120 0.004 0.000 0.295 114 V C 0.266 176.419 176.094 0.099 0.000 1.035 114 V CA -0.513 61.844 62.300 0.095 0.000 0.896 114 V CB 1.369 33.258 31.823 0.111 0.000 0.986 114 V HN 0.352 nan 8.190 nan 0.000 0.447 115 L N 5.532 126.828 121.223 0.120 0.000 2.333 115 L HA 0.608 4.950 4.340 0.004 0.000 0.280 115 L C -0.704 176.363 176.870 0.330 0.000 1.004 115 L CA -0.256 54.661 54.840 0.128 0.000 0.820 115 L CB 1.755 43.773 42.059 -0.068 0.000 1.247 115 L HN 0.493 nan 8.230 nan 0.000 0.416 116 I N 2.905 123.726 120.570 0.419 0.000 2.382 116 I HA 0.222 4.394 4.170 0.004 0.000 0.286 116 I C -0.720 175.745 176.117 0.580 0.000 1.002 116 I CA -0.442 61.116 61.300 0.429 0.000 1.135 116 I CB 1.418 39.550 38.000 0.220 0.000 1.288 116 I HN 0.630 nan 8.210 nan 0.000 0.448 117 W N 8.419 129.886 121.300 0.278 0.000 2.365 117 W HA 0.588 5.249 4.660 0.002 0.000 0.316 117 W C -1.518 174.933 176.519 -0.113 0.000 1.164 117 W CA -0.615 56.669 57.345 -0.102 0.000 1.204 117 W CB 1.240 30.666 29.460 -0.057 0.000 1.213 117 W HN 0.347 nan 8.180 nan 0.000 0.539 118 I N 8.670 128.627 120.570 -1.022 0.000 2.411 118 I HA 0.083 4.256 4.170 0.004 0.000 0.284 118 I C -0.298 174.999 176.117 -1.368 0.000 1.012 118 I CA -1.132 59.615 61.300 -0.922 0.000 1.119 118 I CB 0.908 38.548 38.000 -0.599 0.000 1.261 118 I HN 0.307 nan 8.210 nan 0.000 0.448 119 Y N 4.610 124.410 120.300 -0.832 0.000 2.426 119 Y HA 0.674 5.226 4.550 0.003 0.000 0.344 119 Y C 0.744 176.446 175.900 -0.331 0.000 1.256 119 Y CA -0.737 56.983 58.100 -0.633 0.000 1.451 119 Y CB -0.028 38.292 38.460 -0.233 0.000 1.342 119 Y HN 0.528 nan 8.280 nan 0.000 0.600 120 G N -0.889 107.889 108.800 -0.037 0.000 2.671 120 G HA2 0.495 4.457 3.960 0.004 0.000 0.275 120 G HA3 0.495 4.457 3.960 0.004 0.000 0.275 120 G C 0.262 175.093 174.900 -0.115 0.000 1.368 120 G CA -0.958 44.060 45.100 -0.136 0.000 1.044 120 G HN 1.730 nan 8.290 nan 0.000 0.543 121 G N -2.776 105.811 108.800 -0.354 0.000 2.188 121 G HA2 0.395 4.357 3.960 0.004 0.000 0.112 121 G HA3 0.395 4.357 3.960 0.004 0.000 0.112 121 G C 1.090 175.482 174.900 -0.848 0.000 1.048 121 G CA 0.718 45.485 45.100 -0.555 0.000 0.720 121 G HN 2.372 nan 8.290 nan 0.000 0.487 122 G N -0.708 107.597 108.800 -0.825 0.000 2.166 122 G HA2 -0.132 3.830 3.960 0.004 0.000 0.260 122 G HA3 -0.132 3.830 3.960 0.004 0.000 0.260 122 G C 0.916 175.601 174.900 -0.358 0.000 0.986 122 G CA 0.908 45.266 45.100 -1.236 0.000 0.683 122 G HN 1.826 nan 8.290 nan 0.000 0.527 123 F N -3.409 116.450 119.950 -0.151 0.000 2.794 123 F HA -0.307 4.222 4.527 0.003 0.000 0.335 123 F C 1.420 177.401 175.800 0.302 0.000 0.653 123 F CA 2.213 60.272 58.000 0.098 0.000 1.266 123 F CB -2.043 36.870 39.000 -0.146 0.000 1.666 123 F HN 0.911 nan 8.300 nan 0.000 0.314 124 Y N -1.412 119.053 120.300 0.275 0.000 2.432 124 Y HA 0.646 5.198 4.550 0.003 0.000 0.252 124 Y C 0.656 176.686 175.900 0.217 0.000 1.097 124 Y CA 0.310 58.610 58.100 0.333 0.000 1.250 124 Y CB -0.034 38.643 38.460 0.361 0.000 1.245 124 Y HN 0.060 nan 8.280 nan 0.000 0.522 125 S N -0.469 114.890 115.700 -0.569 0.000 2.720 125 S HA 0.922 5.394 4.470 0.004 0.000 0.287 125 S C -0.085 174.330 174.600 -0.309 0.000 1.168 125 S CA -0.547 57.419 58.200 -0.390 0.000 0.832 125 S CB 1.605 64.484 63.200 -0.534 0.000 1.166 125 S HN 1.333 nan 8.310 nan 0.000 0.493 126 G N -0.846 107.738 108.800 -0.360 0.000 2.459 126 G HA2 0.535 4.497 3.960 0.004 0.000 0.685 126 G HA3 0.535 4.497 3.960 0.004 0.000 0.685 126 G C -0.730 173.428 174.900 -1.238 0.000 1.303 126 G CA -0.204 44.480 45.100 -0.693 0.000 0.907 126 G HN 2.119 nan 8.290 nan 0.000 0.632 127 A N -0.828 121.086 122.820 -1.510 0.000 2.577 127 A HA 0.989 5.311 4.320 0.004 0.000 0.297 127 A C 0.510 177.874 177.584 -0.367 0.000 1.060 127 A CA 0.565 52.099 52.037 -0.840 0.000 0.697 127 A CB 1.048 19.799 19.000 -0.414 0.000 1.281 127 A HN 2.583 nan 8.150 nan 0.000 0.402 128 A N 0.691 123.548 122.820 0.062 0.000 2.238 128 A HA 0.285 4.607 4.320 0.004 0.000 0.208 128 A C 1.637 179.252 177.584 0.051 0.000 1.177 128 A CA 1.588 53.839 52.037 0.357 0.000 0.804 128 A CB -0.489 18.798 19.000 0.479 0.000 0.823 128 A HN 1.786 nan 8.150 nan 0.000 0.482 129 S N -0.495 114.990 115.700 -0.359 0.000 2.575 129 S HA 0.320 4.792 4.470 0.004 0.000 0.215 129 S C 0.450 174.591 174.600 -0.764 0.000 0.966 129 S CA -0.448 57.057 58.200 -1.158 0.000 0.911 129 S CB -0.563 61.974 63.200 -1.104 0.000 0.780 129 S HN 0.376 nan 8.310 nan 0.000 0.514 130 L N 2.360 123.304 121.223 -0.465 0.000 2.456 130 L HA 0.173 4.515 4.340 0.004 0.000 0.272 130 L C 1.196 177.746 176.870 -0.533 0.000 1.189 130 L CA -0.539 53.982 54.840 -0.531 0.000 0.846 130 L CB 0.177 41.810 42.059 -0.711 0.000 1.111 130 L HN 0.040 nan 8.230 nan 0.000 0.475 131 D N 1.462 121.597 120.400 -0.441 0.000 2.157 131 D HA -0.188 4.454 4.640 0.004 0.000 0.191 131 D C 1.974 178.003 176.300 -0.451 0.000 1.004 131 D CA 1.741 55.535 54.000 -0.343 0.000 0.854 131 D CB -0.151 40.474 40.800 -0.292 0.000 0.936 131 D HN 0.553 nan 8.370 nan 0.000 0.446 132 V N -1.572 117.927 119.914 -0.691 0.000 3.241 132 V HA -0.159 3.963 4.120 0.004 0.000 0.269 132 V C 0.960 176.466 176.094 -0.980 0.000 1.151 132 V CA 1.076 62.930 62.300 -0.743 0.000 1.158 132 V CB -1.169 30.192 31.823 -0.769 0.000 0.764 132 V HN 0.101 nan 8.190 nan 0.000 0.508 133 Y N 0.117 119.873 120.300 -0.907 0.000 2.607 133 Y HA 0.461 5.013 4.550 0.003 0.000 0.266 133 Y C 0.757 176.093 175.900 -0.941 0.000 1.178 133 Y CA -2.047 55.151 58.100 -1.503 0.000 1.226 133 Y CB -0.705 37.244 38.460 -0.853 0.000 1.144 133 Y HN 0.251 nan 8.280 nan 0.000 0.528 134 D N 0.691 120.811 120.400 -0.466 0.000 2.363 134 D HA 0.061 4.703 4.640 0.004 0.000 0.263 134 D C 1.494 177.494 176.300 -0.500 0.000 1.258 134 D CA 0.428 54.234 54.000 -0.324 0.000 0.907 134 D CB 1.275 42.032 40.800 -0.073 0.000 1.107 134 D HN 0.462 nan 8.370 nan 0.000 0.495 135 G N 4.262 112.119 108.800 -1.572 0.000 2.559 135 G HA2 -0.240 3.722 3.960 0.004 0.000 0.216 135 G HA3 -0.240 3.722 3.960 0.004 0.000 0.216 135 G C 1.509 175.814 174.900 -0.992 0.000 1.126 135 G CA 0.603 44.866 45.100 -1.394 0.000 0.778 135 G HN 0.654 nan 8.290 nan 0.000 0.543 136 R N -0.498 119.396 120.500 -1.010 0.000 2.091 136 R HA -0.085 4.257 4.340 0.004 0.000 0.238 136 R C 1.919 177.946 176.300 -0.454 0.000 1.136 136 R CA 1.634 57.397 56.100 -0.562 0.000 0.959 136 R CB -0.830 29.156 30.300 -0.523 0.000 0.856 136 R HN 0.332 nan 8.270 nan 0.000 0.437 137 F N 1.506 121.374 119.950 -0.137 0.000 2.113 137 F HA 0.016 4.545 4.527 0.004 0.000 0.297 137 F C 2.367 178.112 175.800 -0.092 0.000 1.103 137 F CA 0.877 58.819 58.000 -0.097 0.000 1.248 137 F CB -0.590 38.343 39.000 -0.111 0.000 0.999 137 F HN -0.125 nan 8.300 nan 0.000 0.475 138 L N -0.163 121.092 121.223 0.054 0.000 2.083 138 L HA -0.198 4.144 4.340 0.004 0.000 0.209 138 L C 2.728 179.603 176.870 0.008 0.000 1.083 138 L CA 1.114 55.943 54.840 -0.018 0.000 0.752 138 L CB -0.979 41.017 42.059 -0.106 0.000 0.899 138 L HN 0.185 nan 8.230 nan 0.000 0.433 139 A N -0.877 121.951 122.820 0.014 0.000 1.858 139 A HA -0.247 4.075 4.320 0.004 0.000 0.216 139 A C 2.299 179.928 177.584 0.076 0.000 1.190 139 A CA 1.643 53.729 52.037 0.082 0.000 0.617 139 A CB -0.523 18.573 19.000 0.159 0.000 0.827 139 A HN 0.396 nan 8.150 nan 0.000 0.443 140 Q N -0.242 119.586 119.800 0.046 0.000 2.020 140 Q HA -0.077 4.265 4.340 0.004 0.000 0.198 140 Q C 2.207 178.239 176.000 0.054 0.000 0.974 140 Q CA 1.998 57.833 55.803 0.052 0.000 0.829 140 Q CB -0.270 28.482 28.738 0.024 0.000 0.894 140 Q HN 0.399 nan 8.270 nan 0.000 0.433 141 V N 1.239 121.186 119.914 0.054 0.000 2.488 141 V HA -0.115 4.007 4.120 0.004 0.000 0.246 141 V C 1.802 177.914 176.094 0.029 0.000 1.046 141 V CA 1.500 63.826 62.300 0.044 0.000 1.053 141 V CB -0.123 31.727 31.823 0.045 0.000 0.679 141 V HN 0.239 nan 8.190 nan 0.000 0.458 142 E N -0.422 119.793 120.200 0.025 0.000 2.476 142 E HA 0.193 4.546 4.350 0.004 0.000 0.199 142 E C 1.730 178.347 176.600 0.030 0.000 1.021 142 E CA 0.726 57.136 56.400 0.017 0.000 0.907 142 E CB 0.564 30.264 29.700 0.000 0.000 0.974 142 E HN 0.569 nan 8.360 nan 0.000 0.489 143 G N 1.600 110.428 108.800 0.046 0.000 2.153 143 G HA2 -0.316 3.646 3.960 0.004 0.000 0.252 143 G HA3 -0.316 3.646 3.960 0.004 0.000 0.252 143 G C 0.537 175.478 174.900 0.068 0.000 0.994 143 G CA 0.382 45.518 45.100 0.061 0.000 0.698 143 G HN 0.481 nan 8.290 nan 0.000 0.521 144 A N -0.625 122.232 122.820 0.062 0.000 2.407 144 A HA 0.644 4.966 4.320 0.004 0.000 0.248 144 A C 0.607 178.261 177.584 0.117 0.000 1.082 144 A CA 0.289 52.366 52.037 0.067 0.000 0.785 144 A CB 0.961 19.981 19.000 0.033 0.000 1.020 144 A HN 1.151 nan 8.150 nan 0.000 0.489 145 V N 3.445 123.435 119.914 0.127 0.000 2.364 145 V HA 0.311 4.433 4.120 0.004 0.000 0.272 145 V C 0.006 176.220 176.094 0.199 0.000 1.036 145 V CA -0.046 62.360 62.300 0.177 0.000 0.880 145 V CB 0.644 32.564 31.823 0.162 0.000 0.991 145 V HN 0.717 nan 8.190 nan 0.000 0.460 146 L N 6.345 127.739 121.223 0.285 0.000 2.313 146 L HA 0.716 5.058 4.340 0.004 0.000 0.283 146 L C -0.749 176.400 176.870 0.465 0.000 1.013 146 L CA -0.269 54.783 54.840 0.354 0.000 0.816 146 L CB 1.754 44.005 42.059 0.319 0.000 1.236 146 L HN 0.429 nan 8.230 nan 0.000 0.419 147 V N 3.299 123.459 119.914 0.411 0.000 2.604 147 V HA 0.689 4.811 4.120 0.004 0.000 0.305 147 V C -0.419 175.932 176.094 0.428 0.000 1.043 147 V CA -0.416 62.095 62.300 0.351 0.000 0.888 147 V CB 2.021 33.976 31.823 0.221 0.000 0.995 147 V HN 0.856 nan 8.190 nan 0.000 0.429 148 S N 5.128 121.086 115.700 0.430 0.000 2.541 148 S HA 0.836 5.308 4.470 0.004 0.000 0.280 148 S C -0.837 173.937 174.600 0.290 0.000 1.112 148 S CA -0.864 57.597 58.200 0.435 0.000 0.925 148 S CB 2.062 65.651 63.200 0.649 0.000 1.067 148 S HN 0.856 nan 8.310 nan 0.000 0.479 149 M N 1.511 121.243 119.600 0.220 0.000 2.598 149 M HA 0.647 5.129 4.480 0.004 0.000 0.317 149 M C -1.439 175.081 176.300 0.367 0.000 1.179 149 M CA -0.682 54.725 55.300 0.178 0.000 0.936 149 M CB 1.331 33.912 32.600 -0.031 0.000 1.713 149 M HN 0.493 nan 8.290 nan 0.000 0.460 150 N N 2.307 121.277 118.700 0.450 0.000 2.524 150 N HA 0.561 5.303 4.740 0.004 0.000 0.283 150 N C -1.493 174.288 175.510 0.452 0.000 1.142 150 N CA -0.000 53.326 53.050 0.460 0.000 0.984 150 N CB 0.786 39.480 38.487 0.345 0.000 1.155 150 N HN 0.727 nan 8.380 nan 0.000 0.467 151 Y N -2.002 118.462 120.300 0.273 0.000 2.553 151 Y HA 0.583 5.135 4.550 0.004 0.000 0.347 151 Y C -0.118 175.913 175.900 0.217 0.000 1.019 151 Y CA -1.336 56.882 58.100 0.196 0.000 1.032 151 Y CB 0.977 39.490 38.460 0.088 0.000 1.284 151 Y HN 0.187 nan 8.280 nan 0.000 0.466 152 R N 1.771 122.419 120.500 0.246 0.000 2.543 152 R HA 0.533 4.875 4.340 0.004 0.000 0.277 152 R C -0.233 176.222 176.300 0.258 0.000 1.074 152 R CA -0.334 55.866 56.100 0.168 0.000 1.076 152 R CB 1.086 31.458 30.300 0.119 0.000 0.993 152 R HN 0.732 nan 8.270 nan 0.000 0.459 153 V N -0.170 119.944 119.914 0.333 0.000 3.229 153 V HA 0.856 4.979 4.120 0.004 0.000 0.310 153 V C 0.826 177.298 176.094 0.631 0.000 1.206 153 V CA -0.162 62.465 62.300 0.545 0.000 1.051 153 V CB 0.958 33.009 31.823 0.380 0.000 1.183 153 V HN 0.948 nan 8.190 nan 0.000 0.466 154 G N 1.381 110.612 108.800 0.718 0.000 2.581 154 G HA2 -0.323 3.639 3.960 0.004 0.000 0.291 154 G HA3 -0.323 3.639 3.960 0.004 0.000 0.291 154 G C 1.060 176.183 174.900 0.372 0.000 1.277 154 G CA 1.882 47.358 45.100 0.626 0.000 0.959 154 G HN 2.326 nan 8.290 nan 0.000 0.554 155 T N -1.680 112.803 114.554 -0.119 0.000 2.665 155 T HA -0.173 4.179 4.350 0.004 0.000 0.268 155 T C 2.134 176.728 174.700 -0.178 0.000 1.035 155 T CA 2.706 64.475 62.100 -0.550 0.000 1.151 155 T CB -0.501 67.886 68.868 -0.802 0.000 0.862 155 T HN 0.601 nan 8.240 nan 0.000 0.438 156 F N 2.182 122.219 119.950 0.145 0.000 2.269 156 F HA 0.202 4.731 4.527 0.003 0.000 0.301 156 F C 2.767 178.591 175.800 0.040 0.000 1.082 156 F CA 0.733 58.778 58.000 0.075 0.000 1.360 156 F CB -0.940 38.067 39.000 0.011 0.000 1.041 156 F HN 0.376 nan 8.300 nan 0.000 0.512 157 G N -1.693 107.204 108.800 0.161 0.000 2.545 157 G HA2 -0.011 3.951 3.960 0.004 0.000 0.212 157 G HA3 -0.011 3.951 3.960 0.004 0.000 0.212 157 G C 0.957 175.468 174.900 -0.649 0.000 1.144 157 G CA 0.317 45.231 45.100 -0.310 0.000 0.813 157 G HN 0.355 nan 8.290 nan 0.000 0.531 158 F N -0.623 119.449 119.950 0.204 0.000 2.856 158 F HA 0.437 4.967 4.527 0.004 0.000 0.338 158 F C 0.483 176.397 175.800 0.190 0.000 1.100 158 F CA -0.961 57.145 58.000 0.176 0.000 1.150 158 F CB 0.344 39.465 39.000 0.202 0.000 1.101 158 F HN -0.078 nan 8.300 nan 0.000 0.548 159 L N 2.129 123.444 121.223 0.153 0.000 2.455 159 L HA 0.567 4.909 4.340 0.004 0.000 0.272 159 L C -0.136 176.728 176.870 -0.011 0.000 1.174 159 L CA -0.040 54.798 54.840 -0.003 0.000 0.869 159 L CB 0.511 42.258 42.059 -0.521 0.000 1.130 159 L HN 0.111 nan 8.230 nan 0.000 0.474 160 A N 5.993 128.846 122.820 0.055 0.000 2.427 160 A HA 0.651 4.973 4.320 0.004 0.000 0.298 160 A C -1.222 176.353 177.584 -0.015 0.000 1.036 160 A CA -0.583 51.461 52.037 0.011 0.000 0.701 160 A CB 1.353 20.392 19.000 0.065 0.000 1.250 160 A HN 0.687 nan 8.150 nan 0.000 0.412 161 L N 3.474 124.671 121.223 -0.044 0.000 2.360 161 L HA 0.341 4.683 4.340 0.004 0.000 0.265 161 L C -2.397 174.468 176.870 -0.008 0.000 1.066 161 L CA -1.513 53.309 54.840 -0.030 0.000 0.929 161 L CB 1.182 43.211 42.059 -0.050 0.000 1.306 161 L HN 0.389 nan 8.230 nan 0.000 0.434 162 P HA 0.094 nan 4.420 nan 0.000 0.264 162 P C 1.010 178.316 177.300 0.011 0.000 1.183 162 P CA 0.770 63.877 63.100 0.012 0.000 0.763 162 P CB 0.969 32.676 31.700 0.011 0.000 0.807 163 G N 1.792 110.602 108.800 0.018 0.000 2.258 163 G HA2 -0.254 3.708 3.960 0.004 0.000 0.233 163 G HA3 -0.254 3.708 3.960 0.004 0.000 0.233 163 G C 0.468 175.378 174.900 0.017 0.000 1.006 163 G CA 0.265 45.375 45.100 0.017 0.000 0.620 163 G HN 0.819 nan 8.290 nan 0.000 0.511 164 S N -0.122 115.586 115.700 0.014 0.000 2.600 164 S HA 0.583 5.055 4.470 0.004 0.000 0.265 164 S C 1.188 175.803 174.600 0.026 0.000 1.325 164 S CA 0.680 58.889 58.200 0.015 0.000 1.002 164 S CB 1.958 65.161 63.200 0.005 0.000 0.921 164 S HN 0.565 nan 8.310 nan 0.000 0.554 165 R N 0.536 121.052 120.500 0.028 0.000 2.075 165 R HA 0.037 4.380 4.340 0.004 0.000 0.226 165 R C 1.629 177.958 176.300 0.047 0.000 1.114 165 R CA 1.425 57.547 56.100 0.037 0.000 0.972 165 R CB -0.242 30.078 30.300 0.033 0.000 0.869 165 R HN 0.822 nan 8.270 nan 0.000 0.437 166 E N -0.949 119.279 120.200 0.047 0.000 2.442 166 E HA 0.141 4.494 4.350 0.004 0.000 0.195 166 E C -0.457 176.200 176.600 0.095 0.000 1.030 166 E CA 0.704 57.146 56.400 0.071 0.000 0.869 166 E CB 1.229 30.970 29.700 0.068 0.000 0.857 166 E HN 0.313 nan 8.360 nan 0.000 0.505 167 A N 0.840 123.693 122.820 0.055 0.000 3.399 167 A HA 0.242 4.564 4.320 0.004 0.000 0.262 167 A C -2.219 175.380 177.584 0.024 0.000 1.145 167 A CA -0.813 51.245 52.037 0.036 0.000 0.916 167 A CB 0.422 19.365 19.000 -0.095 0.000 1.360 167 A HN -0.080 nan 8.150 nan 0.000 0.628 168 P HA 0.159 nan 4.420 nan 0.000 0.233 168 P C 0.930 178.261 177.300 0.051 0.000 1.167 168 P CA 1.748 64.877 63.100 0.049 0.000 0.770 168 P CB 0.165 31.904 31.700 0.064 0.000 0.837 169 G N 0.880 109.711 108.800 0.051 0.000 2.746 169 G HA2 -0.192 3.770 3.960 0.004 0.000 0.685 169 G HA3 -0.192 3.770 3.960 0.004 0.000 0.685 169 G C -0.043 174.883 174.900 0.043 0.000 1.350 169 G CA -0.279 44.859 45.100 0.063 0.000 0.837 169 G HN 0.129 nan 8.290 nan 0.000 0.564 170 N N -2.441 116.291 118.700 0.054 0.000 2.778 170 N HA -0.287 4.455 4.740 0.004 0.000 0.249 170 N C 1.927 177.340 175.510 -0.162 0.000 1.069 170 N CA 2.471 55.497 53.050 -0.039 0.000 0.831 170 N CB -1.622 36.773 38.487 -0.153 0.000 1.142 170 N HN 1.937 nan 8.380 nan 0.000 0.573 171 V N -2.495 117.327 119.914 -0.153 0.000 2.594 171 V HA -0.022 4.100 4.120 0.004 0.000 0.253 171 V C 2.287 178.284 176.094 -0.162 0.000 1.069 171 V CA 2.354 64.591 62.300 -0.104 0.000 1.082 171 V CB -0.903 30.903 31.823 -0.029 0.000 0.680 171 V HN 0.279 nan 8.190 nan 0.000 0.469 172 G N 0.230 108.750 108.800 -0.467 0.000 2.422 172 G HA2 -0.111 3.851 3.960 0.004 0.000 0.218 172 G HA3 -0.111 3.851 3.960 0.004 0.000 0.218 172 G C 1.537 176.423 174.900 -0.023 0.000 1.140 172 G CA 1.039 45.962 45.100 -0.296 0.000 0.775 172 G HN 0.541 nan 8.290 nan 0.000 0.545 173 L N -0.172 120.993 121.223 -0.096 0.000 2.156 173 L HA 0.106 4.448 4.340 0.004 0.000 0.208 173 L C 2.787 179.691 176.870 0.056 0.000 1.095 173 L CA 0.306 55.056 54.840 -0.150 0.000 0.770 173 L CB -0.232 41.413 42.059 -0.691 0.000 0.914 173 L HN 0.183 nan 8.230 nan 0.000 0.439 174 L N -0.605 120.656 121.223 0.063 0.000 2.093 174 L HA -0.197 4.145 4.340 0.004 0.000 0.208 174 L C 2.186 179.194 176.870 0.230 0.000 1.085 174 L CA 0.855 55.828 54.840 0.221 0.000 0.755 174 L CB -0.644 41.522 42.059 0.178 0.000 0.904 174 L HN 0.278 nan 8.230 nan 0.000 0.435 175 D N 0.109 120.632 120.400 0.204 0.000 2.133 175 D HA -0.231 4.411 4.640 0.004 0.000 0.195 175 D C 2.253 178.746 176.300 0.322 0.000 0.997 175 D CA 1.325 55.524 54.000 0.331 0.000 0.840 175 D CB -0.199 40.803 40.800 0.336 0.000 0.947 175 D HN 0.433 nan 8.370 nan 0.000 0.452 176 Q N -0.035 119.883 119.800 0.196 0.000 2.119 176 Q HA -0.068 4.274 4.340 0.004 0.000 0.201 176 Q C 2.285 178.313 176.000 0.047 0.000 0.972 176 Q CA 0.746 56.593 55.803 0.073 0.000 0.847 176 Q CB 0.009 28.786 28.738 0.065 0.000 0.903 176 Q HN 0.179 nan 8.270 nan 0.000 0.433 177 R N 0.500 121.122 120.500 0.203 0.000 2.081 177 R HA -0.163 4.179 4.340 0.004 0.000 0.235 177 R C 2.170 178.553 176.300 0.140 0.000 1.131 177 R CA 0.968 57.176 56.100 0.180 0.000 0.960 177 R CB -0.206 30.296 30.300 0.337 0.000 0.856 177 R HN 0.196 nan 8.270 nan 0.000 0.436 178 L N 0.528 121.870 121.223 0.199 0.000 2.083 178 L HA -0.049 4.293 4.340 0.004 0.000 0.209 178 L C 2.135 179.096 176.870 0.152 0.000 1.083 178 L CA 2.093 57.082 54.840 0.248 0.000 0.752 178 L CB -0.644 41.650 42.059 0.392 0.000 0.899 178 L HN 0.237 nan 8.230 nan 0.000 0.433 179 A N -0.721 121.997 122.820 -0.170 0.000 1.930 179 A HA -0.107 4.215 4.320 0.004 0.000 0.217 179 A C 2.212 179.764 177.584 -0.054 0.000 1.175 179 A CA 1.611 53.370 52.037 -0.464 0.000 0.627 179 A CB -0.711 17.747 19.000 -0.902 0.000 0.815 179 A HN 0.490 nan 8.150 nan 0.000 0.443 180 L N -0.880 120.329 121.223 -0.023 0.000 2.046 180 L HA -0.258 4.084 4.340 0.004 0.000 0.208 180 L C 2.829 179.768 176.870 0.115 0.000 1.077 180 L CA 1.654 56.520 54.840 0.044 0.000 0.747 180 L CB -0.839 41.215 42.059 -0.007 0.000 0.896 180 L HN 0.507 nan 8.230 nan 0.000 0.432 181 Q N -1.046 118.833 119.800 0.132 0.000 2.079 181 Q HA -0.252 4.091 4.340 0.004 0.000 0.200 181 Q C 2.041 178.141 176.000 0.168 0.000 0.974 181 Q CA 1.881 57.765 55.803 0.136 0.000 0.840 181 Q CB -0.309 28.512 28.738 0.138 0.000 0.898 181 Q HN 0.514 nan 8.270 nan 0.000 0.430 182 W N 0.786 122.113 121.300 0.044 0.000 2.321 182 W HA -0.264 4.398 4.660 0.003 0.000 0.306 182 W C 1.930 178.478 176.519 0.049 0.000 1.217 182 W CA 1.502 58.884 57.345 0.061 0.000 1.257 182 W CB -0.124 29.374 29.460 0.063 0.000 1.145 182 W HN -0.131 nan 8.180 nan 0.000 0.509 183 V N 0.668 120.815 119.914 0.387 0.000 2.343 183 V HA -0.342 3.780 4.120 0.004 0.000 0.247 183 V C 2.522 178.638 176.094 0.037 0.000 1.051 183 V CA 2.009 64.452 62.300 0.239 0.000 1.036 183 V CB -0.958 31.006 31.823 0.235 0.000 0.654 183 V HN 0.220 nan 8.190 nan 0.000 0.451 184 Q N -0.144 119.679 119.800 0.038 0.000 2.061 184 Q HA -0.264 4.078 4.340 0.004 0.000 0.204 184 Q C 2.277 178.238 176.000 -0.066 0.000 0.984 184 Q CA 2.247 58.049 55.803 -0.002 0.000 0.846 184 Q CB -0.295 28.453 28.738 0.016 0.000 0.902 184 Q HN 0.823 nan 8.270 nan 0.000 0.421 185 E N -0.064 120.066 120.200 -0.116 0.000 2.107 185 E HA -0.102 4.251 4.350 0.004 0.000 0.191 185 E C 1.373 177.817 176.600 -0.260 0.000 0.982 185 E CA 0.963 57.260 56.400 -0.171 0.000 0.809 185 E CB 0.241 29.837 29.700 -0.174 0.000 0.756 185 E HN 0.292 nan 8.360 nan 0.000 0.459 186 N N -0.034 118.402 118.700 -0.440 0.000 2.407 186 N HA -0.026 4.716 4.740 0.004 0.000 0.182 186 N C 1.645 177.025 175.510 -0.217 0.000 1.079 186 N CA 0.135 52.872 53.050 -0.522 0.000 0.882 186 N CB 0.133 37.898 38.487 -1.203 0.000 1.106 186 N HN 0.133 nan 8.380 nan 0.000 0.461 187 I N 2.529 123.034 120.570 -0.109 0.000 2.502 187 I HA -0.190 3.982 4.170 0.004 0.000 0.258 187 I C 2.087 178.294 176.117 0.150 0.000 1.172 187 I CA 0.460 61.840 61.300 0.133 0.000 1.430 187 I CB -0.328 37.738 38.000 0.110 0.000 1.086 187 I HN 0.066 nan 8.210 nan 0.000 0.440 188 A N -0.016 122.820 122.820 0.026 0.000 2.015 188 A HA -0.028 4.294 4.320 0.004 0.000 0.219 188 A C 2.481 180.045 177.584 -0.032 0.000 1.163 188 A CA 1.338 53.376 52.037 0.001 0.000 0.646 188 A CB -0.947 18.029 19.000 -0.039 0.000 0.806 188 A HN 0.455 nan 8.150 nan 0.000 0.448 189 A N -1.239 121.520 122.820 -0.100 0.000 2.070 189 A HA 0.038 4.360 4.320 0.004 0.000 0.220 189 A C 1.539 178.882 177.584 -0.402 0.000 1.159 189 A CA 1.224 53.087 52.037 -0.289 0.000 0.656 189 A CB -0.646 18.082 19.000 -0.453 0.000 0.800 189 A HN 0.499 nan 8.150 nan 0.000 0.453 190 F N -1.110 118.780 119.950 -0.099 0.000 2.727 190 F HA 0.378 4.907 4.527 0.004 0.000 0.302 190 F C 1.727 177.522 175.800 -0.008 0.000 1.097 190 F CA 0.434 58.390 58.000 -0.074 0.000 1.330 190 F CB 0.113 39.078 39.000 -0.059 0.000 1.084 190 F HN 0.313 nan 8.300 nan 0.000 0.578 191 G N 0.569 109.439 108.800 0.116 0.000 2.137 191 G HA2 -0.146 3.816 3.960 0.004 0.000 0.237 191 G HA3 -0.146 3.816 3.960 0.004 0.000 0.237 191 G C 0.506 175.465 174.900 0.098 0.000 1.002 191 G CA -0.222 44.926 45.100 0.081 0.000 0.702 191 G HN 0.730 nan 8.290 nan 0.000 0.515 192 G N -0.771 108.103 108.800 0.123 0.000 2.425 192 G HA2 0.507 4.469 3.960 0.004 0.000 0.302 192 G HA3 0.507 4.469 3.960 0.004 0.000 0.302 192 G C -0.743 174.191 174.900 0.055 0.000 1.159 192 G CA 0.007 45.166 45.100 0.099 0.000 0.865 192 G HN 0.202 nan 8.290 nan 0.000 0.515 193 D N 1.328 121.750 120.400 0.036 0.000 2.380 193 D HA 0.267 4.909 4.640 0.004 0.000 0.230 193 D C -1.140 175.158 176.300 -0.002 0.000 1.154 193 D CA -2.311 51.691 54.000 0.004 0.000 0.859 193 D CB 1.950 42.743 40.800 -0.012 0.000 1.045 193 D HN 0.043 nan 8.370 nan 0.000 0.495 194 P HA -0.065 nan 4.420 nan 0.000 0.230 194 P C 1.167 178.436 177.300 -0.052 0.000 1.158 194 P CA 0.679 63.773 63.100 -0.011 0.000 0.769 194 P CB 0.166 31.855 31.700 -0.019 0.000 0.807 195 M N -1.340 118.203 119.600 -0.095 0.000 2.495 195 M HA 0.092 4.574 4.480 0.004 0.000 0.237 195 M C 0.692 176.815 176.300 -0.295 0.000 1.131 195 M CA 0.483 55.663 55.300 -0.200 0.000 1.032 195 M CB 0.134 32.629 32.600 -0.176 0.000 1.513 195 M HN -0.163 nan 8.290 nan 0.000 0.488 196 S N 1.154 116.767 115.700 -0.146 0.000 2.259 196 S HA 0.449 4.921 4.470 0.004 0.000 0.181 196 S C -0.991 173.615 174.600 0.010 0.000 1.589 196 S CA -0.495 57.648 58.200 -0.095 0.000 1.234 196 S CB 0.455 63.618 63.200 -0.062 0.000 1.119 196 S HN 0.015 nan 8.310 nan 0.000 0.458 197 V N 3.930 123.886 119.914 0.070 0.000 2.487 197 V HA 0.558 4.680 4.120 0.004 0.000 0.298 197 V C -0.039 176.183 176.094 0.214 0.000 1.028 197 V CA -0.459 61.926 62.300 0.142 0.000 0.860 197 V CB 2.011 33.935 31.823 0.167 0.000 0.991 197 V HN 0.715 nan 8.190 nan 0.000 0.427 198 T N 6.445 121.102 114.554 0.172 0.000 2.779 198 T HA 0.612 4.964 4.350 0.004 0.000 0.280 198 T C -0.233 174.590 174.700 0.205 0.000 0.987 198 T CA -0.352 61.860 62.100 0.187 0.000 0.966 198 T CB 0.970 69.898 68.868 0.100 0.000 0.933 198 T HN 0.347 nan 8.240 nan 0.000 0.442 199 L N 4.623 125.937 121.223 0.153 0.000 2.395 199 L HA 0.722 5.064 4.340 0.004 0.000 0.269 199 L C -0.230 176.848 176.870 0.347 0.000 1.133 199 L CA -0.772 54.141 54.840 0.122 0.000 0.812 199 L CB 0.372 42.294 42.059 -0.229 0.000 1.125 199 L HN 0.727 nan 8.230 nan 0.000 0.452 200 F N -0.290 119.716 119.950 0.093 0.000 2.641 200 F HA 0.891 5.420 4.527 0.003 0.000 0.308 200 F C -0.408 175.383 175.800 -0.015 0.000 1.105 200 F CA -0.696 57.408 58.000 0.173 0.000 0.964 200 F CB 2.061 41.301 39.000 0.399 0.000 1.294 200 F HN 0.531 nan 8.300 nan 0.000 0.442 201 G N 1.529 110.187 108.800 -0.236 0.000 2.632 201 G HA2 0.458 4.421 3.960 0.004 0.000 0.292 201 G HA3 0.458 4.421 3.960 0.004 0.000 0.292 201 G C -2.727 171.959 174.900 -0.357 0.000 1.465 201 G CA -0.711 43.874 45.100 -0.859 0.000 0.824 201 G HN 0.846 nan 8.290 nan 0.000 0.509 202 E N 0.560 120.506 120.200 -0.424 0.000 2.277 202 E HA 0.685 5.037 4.350 0.004 0.000 0.266 202 E C 0.722 177.258 176.600 -0.107 0.000 0.901 202 E CA 0.350 56.714 56.400 -0.060 0.000 0.782 202 E CB 2.164 31.953 29.700 0.149 0.000 1.228 202 E HN 0.966 nan 8.360 nan 0.000 0.424 203 S N 2.459 118.173 115.700 0.024 0.000 4.114 203 S HA -0.386 4.086 4.470 0.004 0.000 0.618 203 S C 1.462 176.151 174.600 0.147 0.000 1.937 203 S CA 2.155 60.448 58.200 0.154 0.000 4.228 203 S CB -1.663 61.560 63.200 0.039 0.000 0.216 203 S HN 1.012 nan 8.310 nan 0.000 0.528 204 A N 1.072 123.836 122.820 -0.094 0.000 2.024 204 A HA 0.135 4.457 4.320 0.004 0.000 0.220 204 A C 2.488 179.807 177.584 -0.441 0.000 1.164 204 A CA 2.512 54.292 52.037 -0.427 0.000 0.643 204 A CB -1.608 16.687 19.000 -1.175 0.000 0.806 204 A HN 1.611 nan 8.150 nan 0.000 0.451 205 G N -0.504 108.086 108.800 -0.350 0.000 2.404 205 G HA2 0.016 3.979 3.960 0.004 0.000 0.215 205 G HA3 0.016 3.979 3.960 0.004 0.000 0.215 205 G C 1.763 176.486 174.900 -0.294 0.000 1.174 205 G CA 1.325 46.167 45.100 -0.430 0.000 0.780 205 G HN 0.781 nan 8.290 nan 0.000 0.537 206 A N 1.208 123.929 122.820 -0.165 0.000 1.902 206 A HA 0.242 4.564 4.320 0.004 0.000 0.217 206 A C 2.807 180.379 177.584 -0.019 0.000 1.181 206 A CA 2.303 54.310 52.037 -0.051 0.000 0.623 206 A CB -0.793 18.236 19.000 0.049 0.000 0.818 206 A HN 0.811 nan 8.150 nan 0.000 0.443 207 A N -0.669 122.171 122.820 0.034 0.000 1.933 207 A HA -0.052 4.270 4.320 0.004 0.000 0.218 207 A C 2.427 180.023 177.584 0.019 0.000 1.175 207 A CA 2.012 54.067 52.037 0.029 0.000 0.628 207 A CB -0.763 18.291 19.000 0.090 0.000 0.814 207 A HN 0.449 nan 8.150 nan 0.000 0.444 208 S N -0.454 115.246 115.700 0.000 0.000 2.356 208 S HA -0.128 4.344 4.470 0.004 0.000 0.223 208 S C 1.908 176.453 174.600 -0.091 0.000 1.032 208 S CA 1.373 59.523 58.200 -0.084 0.000 1.005 208 S CB -0.486 62.605 63.200 -0.183 0.000 0.867 208 S HN 0.346 nan 8.310 nan 0.000 0.449 209 V N 1.772 121.653 119.914 -0.056 0.000 2.332 209 V HA -0.201 3.921 4.120 0.004 0.000 0.248 209 V C 2.604 178.687 176.094 -0.018 0.000 1.055 209 V CA 2.025 64.303 62.300 -0.037 0.000 1.038 209 V CB -1.500 30.277 31.823 -0.077 0.000 0.651 209 V HN 0.602 nan 8.190 nan 0.000 0.450 210 G N -1.010 107.776 108.800 -0.024 0.000 2.418 210 G HA2 -0.299 3.663 3.960 0.004 0.000 0.217 210 G HA3 -0.299 3.663 3.960 0.004 0.000 0.217 210 G C 1.618 176.532 174.900 0.024 0.000 1.158 210 G CA 1.166 46.260 45.100 -0.010 0.000 0.771 210 G HN 0.446 nan 8.290 nan 0.000 0.545 211 M N -0.133 119.459 119.600 -0.013 0.000 2.229 211 M HA 0.009 4.491 4.480 0.004 0.000 0.264 211 M C 2.327 178.704 176.300 0.129 0.000 1.063 211 M CA 0.941 56.267 55.300 0.043 0.000 1.114 211 M CB -0.203 32.396 32.600 -0.003 0.000 1.387 211 M HN 0.205 nan 8.290 nan 0.000 0.420 212 H N -0.161 119.034 119.070 0.209 0.000 2.357 212 H HA -0.039 4.519 4.556 0.003 0.000 0.301 212 H C 2.166 177.702 175.328 0.347 0.000 1.082 212 H CA 1.589 57.778 56.048 0.235 0.000 1.342 212 H CB -0.485 29.312 29.762 0.057 0.000 1.389 212 H HN 0.399 nan 8.280 nan 0.000 0.511 213 I N 0.720 121.550 120.570 0.434 0.000 2.264 213 I HA -0.262 3.910 4.170 0.004 0.000 0.248 213 I C 1.872 178.179 176.117 0.318 0.000 1.111 213 I CA 1.195 62.770 61.300 0.459 0.000 1.382 213 I CB -0.161 38.005 38.000 0.277 0.000 1.060 213 I HN 0.116 nan 8.210 nan 0.000 0.418 214 L N -0.897 120.461 121.223 0.226 0.000 2.592 214 L HA 0.101 4.443 4.340 0.004 0.000 0.227 214 L C 0.952 177.881 176.870 0.098 0.000 1.127 214 L CA 0.019 54.970 54.840 0.184 0.000 0.884 214 L CB 0.014 42.160 42.059 0.145 0.000 1.065 214 L HN 0.006 nan 8.230 nan 0.000 0.457 215 S N -0.214 115.518 115.700 0.054 0.000 2.474 215 S HA 0.386 4.858 4.470 0.004 0.000 0.321 215 S C 1.063 175.607 174.600 -0.095 0.000 1.080 215 S CA -0.615 57.502 58.200 -0.139 0.000 1.106 215 S CB 1.038 63.903 63.200 -0.559 0.000 0.984 215 S HN 0.162 nan 8.310 nan 0.000 0.464 216 L N 5.491 126.661 121.223 -0.088 0.000 2.012 216 L HA -0.051 4.291 4.340 0.004 0.000 0.210 216 L C -0.770 176.068 176.870 -0.053 0.000 1.073 216 L CA 1.413 56.220 54.840 -0.054 0.000 0.748 216 L CB -1.373 40.654 42.059 -0.053 0.000 0.891 216 L HN 0.491 nan 8.230 nan 0.000 0.431 217 P HA -0.107 nan 4.420 nan 0.000 0.221 217 P C 1.541 178.844 177.300 0.006 0.000 1.145 217 P CA 1.156 64.230 63.100 -0.044 0.000 0.795 217 P CB 0.126 31.789 31.700 -0.062 0.000 0.775 218 S N -1.200 114.524 115.700 0.039 0.000 2.458 218 S HA 0.027 4.499 4.470 0.004 0.000 0.223 218 S C 1.833 176.548 174.600 0.192 0.000 1.019 218 S CA 0.312 58.630 58.200 0.195 0.000 0.937 218 S CB -0.325 63.118 63.200 0.405 0.000 0.788 218 S HN 0.045 nan 8.310 nan 0.000 0.511 219 R N 2.096 122.623 120.500 0.045 0.000 2.200 219 R HA -0.014 4.328 4.340 0.004 0.000 0.234 219 R C 1.980 178.100 176.300 -0.300 0.000 1.127 219 R CA 1.256 57.223 56.100 -0.222 0.000 0.989 219 R CB -0.989 29.238 30.300 -0.122 0.000 0.869 219 R HN 0.532 nan 8.270 nan 0.000 0.459 220 S N -0.457 115.171 115.700 -0.119 0.000 2.593 220 S HA 0.116 4.588 4.470 0.004 0.000 0.217 220 S C 1.647 176.225 174.600 -0.038 0.000 0.966 220 S CA 0.076 58.228 58.200 -0.079 0.000 0.914 220 S CB 0.016 63.196 63.200 -0.035 0.000 0.776 220 S HN 0.202 nan 8.310 nan 0.000 0.523 221 L N 0.126 121.351 121.223 0.003 0.000 2.766 221 L HA 0.499 4.841 4.340 0.004 0.000 0.242 221 L C 0.130 177.140 176.870 0.233 0.000 1.136 221 L CA -0.266 54.646 54.840 0.119 0.000 0.933 221 L CB 0.093 42.249 42.059 0.162 0.000 1.241 221 L HN 0.496 nan 8.230 nan 0.000 0.522 222 F N -4.362 115.630 119.950 0.071 0.000 2.985 222 F HA 0.464 4.992 4.527 0.003 0.000 0.322 222 F C 0.377 176.288 175.800 0.185 0.000 1.187 222 F CA -0.822 57.241 58.000 0.105 0.000 0.910 222 F CB 1.077 40.124 39.000 0.079 0.000 1.411 222 F HN -0.222 nan 8.300 nan 0.000 0.492 223 H N -1.030 118.139 119.070 0.164 0.000 3.337 223 H HA 0.407 4.966 4.556 0.004 0.000 0.222 223 H C -0.197 175.172 175.328 0.068 0.000 0.942 223 H CA 0.044 56.083 56.048 -0.015 0.000 1.006 223 H CB 0.842 30.599 29.762 -0.009 0.000 1.252 223 H HN 0.658 nan 8.280 nan 0.000 0.624 224 R N 0.360 120.978 120.500 0.196 0.000 3.055 224 R HA 0.775 5.117 4.340 0.004 0.000 0.231 224 R C -1.048 175.494 176.300 0.404 0.000 1.443 224 R CA -0.296 55.959 56.100 0.257 0.000 1.063 224 R CB 1.651 31.940 30.300 -0.019 0.000 1.514 224 R HN 0.119 nan 8.270 nan 0.000 0.510 225 A N 0.124 123.173 122.820 0.381 0.000 2.520 225 A HA 0.628 4.950 4.320 0.004 0.000 0.298 225 A C -1.541 176.190 177.584 0.245 0.000 1.051 225 A CA -0.629 51.564 52.037 0.259 0.000 0.690 225 A CB 1.866 20.971 19.000 0.175 0.000 1.281 225 A HN 0.283 nan 8.150 nan 0.000 0.402 226 V N 2.328 122.346 119.914 0.174 0.000 2.483 226 V HA 0.464 4.586 4.120 0.004 0.000 0.297 226 V C -1.196 174.985 176.094 0.145 0.000 1.027 226 V CA -0.304 62.042 62.300 0.076 0.000 0.855 226 V CB 1.304 33.174 31.823 0.078 0.000 0.995 226 V HN 0.692 nan 8.190 nan 0.000 0.424 227 L N 5.436 126.713 121.223 0.090 0.000 2.276 227 L HA 0.524 4.866 4.340 0.004 0.000 0.286 227 L C 0.119 177.093 176.870 0.173 0.000 1.024 227 L CA 0.020 54.919 54.840 0.098 0.000 0.826 227 L CB 1.348 43.423 42.059 0.026 0.000 1.211 227 L HN 0.619 nan 8.230 nan 0.000 0.422 228 Q N 2.091 122.045 119.800 0.257 0.000 2.331 228 Q HA 0.442 4.785 4.340 0.004 0.000 0.257 228 Q C 0.176 176.316 176.000 0.232 0.000 0.957 228 Q CA -0.520 55.496 55.803 0.354 0.000 0.923 228 Q CB 1.157 30.203 28.738 0.514 0.000 1.212 228 Q HN 0.620 nan 8.270 nan 0.000 0.443 229 S N 1.003 116.825 115.700 0.204 0.000 3.682 229 S HA -0.148 4.324 4.470 0.004 0.000 0.354 229 S C 0.019 174.821 174.600 0.337 0.000 1.034 229 S CA 0.531 58.885 58.200 0.256 0.000 1.084 229 S CB -1.208 62.167 63.200 0.292 0.000 0.903 229 S HN 1.006 nan 8.310 nan 0.000 0.470 230 G N -0.332 108.615 108.800 0.244 0.000 2.616 230 G HA2 0.640 4.602 3.960 0.004 0.000 0.294 230 G HA3 0.640 4.602 3.960 0.004 0.000 0.294 230 G C -0.907 174.064 174.900 0.119 0.000 1.489 230 G CA 0.198 45.490 45.100 0.320 0.000 0.836 230 G HN 0.936 nan 8.290 nan 0.000 0.527 231 T N -1.128 113.436 114.554 0.017 0.000 2.868 231 T HA 0.759 5.111 4.350 0.004 0.000 0.306 231 T C -2.358 172.200 174.700 -0.236 0.000 1.224 231 T CA -1.388 60.643 62.100 -0.115 0.000 1.012 231 T CB 3.132 71.915 68.868 -0.142 0.000 1.221 231 T HN 0.273 nan 8.240 nan 0.000 0.499 232 P HA 0.016 nan 4.420 nan 0.000 0.221 232 P C 0.227 177.367 177.300 -0.267 0.000 1.155 232 P CA 0.551 63.528 63.100 -0.205 0.000 0.812 232 P CB -0.051 31.584 31.700 -0.108 0.000 0.801 233 N N 0.814 119.374 118.700 -0.233 0.000 2.347 233 N HA 0.327 5.069 4.740 0.004 0.000 0.253 233 N C 0.753 176.052 175.510 -0.353 0.000 1.274 233 N CA 0.510 53.419 53.050 -0.235 0.000 0.941 233 N CB 0.206 38.597 38.487 -0.160 0.000 1.200 233 N HN 0.206 nan 8.380 nan 0.000 0.514 234 G N -1.099 107.504 108.800 -0.329 0.000 2.423 234 G HA2 -0.071 3.892 3.960 0.004 0.000 0.684 234 G HA3 -0.071 3.892 3.960 0.004 0.000 0.684 234 G C -2.467 172.176 174.900 -0.429 0.000 1.309 234 G CA -0.290 44.555 45.100 -0.424 0.000 0.950 234 G HN 0.520 nan 8.290 nan 0.000 0.587 235 P HA 0.137 nan 4.420 nan 0.000 0.245 235 P C 1.317 178.526 177.300 -0.151 0.000 1.206 235 P CA 1.591 64.539 63.100 -0.253 0.000 0.781 235 P CB -0.001 31.545 31.700 -0.257 0.000 0.994 236 W N -1.506 119.687 121.300 -0.178 0.000 2.873 236 W HA 0.534 5.196 4.660 0.002 0.000 0.282 236 W C 1.111 177.682 176.519 0.087 0.000 1.118 236 W CA 0.448 57.765 57.345 -0.047 0.000 1.480 236 W CB -0.800 28.680 29.460 0.034 0.000 0.954 236 W HN -0.177 nan 8.180 nan 0.000 0.591 237 A N 1.937 124.412 122.820 -0.574 0.000 2.119 237 A HA 0.130 4.452 4.320 0.004 0.000 0.216 237 A C 1.146 178.560 177.584 -0.282 0.000 1.152 237 A CA 1.799 53.558 52.037 -0.463 0.000 0.708 237 A CB -0.793 17.680 19.000 -0.879 0.000 0.805 237 A HN 0.261 nan 8.150 nan 0.000 0.460 238 T N -3.429 110.979 114.554 -0.242 0.000 2.865 238 T HA 0.624 4.977 4.350 0.004 0.000 0.294 238 T C -0.752 173.860 174.700 -0.146 0.000 1.119 238 T CA -0.125 61.848 62.100 -0.212 0.000 1.007 238 T CB 1.485 70.239 68.868 -0.190 0.000 1.225 238 T HN 0.898 nan 8.240 nan 0.000 0.515 239 V N -1.199 118.638 119.914 -0.127 0.000 2.925 239 V HA 0.854 4.976 4.120 0.004 0.000 0.311 239 V C 0.322 176.369 176.094 -0.078 0.000 1.104 239 V CA -0.815 61.424 62.300 -0.100 0.000 0.954 239 V CB 1.212 32.972 31.823 -0.104 0.000 1.022 239 V HN 1.412 nan 8.190 nan 0.000 0.427 240 S N 2.645 118.304 115.700 -0.068 0.000 2.580 240 S HA 0.473 4.945 4.470 0.004 0.000 0.266 240 S C 1.502 176.078 174.600 -0.040 0.000 1.354 240 S CA 0.250 58.420 58.200 -0.050 0.000 1.008 240 S CB 1.073 64.243 63.200 -0.048 0.000 0.898 240 S HN 2.046 nan 8.310 nan 0.000 0.555 241 A N 2.317 125.121 122.820 -0.026 0.000 1.883 241 A HA 0.096 4.418 4.320 0.004 0.000 0.217 241 A C 2.300 179.871 177.584 -0.022 0.000 1.186 241 A CA 1.850 53.877 52.037 -0.016 0.000 0.624 241 A CB -1.945 17.050 19.000 -0.008 0.000 0.822 241 A HN 1.224 nan 8.150 nan 0.000 0.444 242 G N -0.382 108.402 108.800 -0.027 0.000 2.476 242 G HA2 -0.305 3.657 3.960 0.004 0.000 0.218 242 G HA3 -0.305 3.657 3.960 0.004 0.000 0.218 242 G C 1.488 176.364 174.900 -0.039 0.000 1.164 242 G CA 1.543 46.624 45.100 -0.030 0.000 0.768 242 G HN 0.610 nan 8.290 nan 0.000 0.560 243 E N 0.914 121.083 120.200 -0.051 0.000 2.107 243 E HA 0.132 4.484 4.350 0.004 0.000 0.191 243 E C 2.621 179.175 176.600 -0.077 0.000 0.982 243 E CA 1.381 57.738 56.400 -0.071 0.000 0.809 243 E CB -0.556 29.092 29.700 -0.086 0.000 0.756 243 E HN 0.283 nan 8.360 nan 0.000 0.459 244 A N 0.953 123.739 122.820 -0.057 0.000 1.933 244 A HA -0.165 4.157 4.320 0.004 0.000 0.218 244 A C 2.285 179.866 177.584 -0.005 0.000 1.175 244 A CA 1.682 53.700 52.037 -0.031 0.000 0.628 244 A CB -0.633 18.370 19.000 0.004 0.000 0.814 244 A HN 0.285 nan 8.150 nan 0.000 0.444 245 R N -0.457 120.036 120.500 -0.013 0.000 2.083 245 R HA -0.161 4.181 4.340 0.004 0.000 0.237 245 R C 2.432 178.725 176.300 -0.013 0.000 1.137 245 R CA 1.820 57.915 56.100 -0.010 0.000 0.951 245 R CB -0.318 29.973 30.300 -0.014 0.000 0.851 245 R HN 0.524 nan 8.270 nan 0.000 0.434 246 R N 0.203 120.685 120.500 -0.029 0.000 2.081 246 R HA -0.111 4.231 4.340 0.004 0.000 0.235 246 R C 2.280 178.561 176.300 -0.033 0.000 1.131 246 R CA 1.756 57.835 56.100 -0.034 0.000 0.960 246 R CB -0.046 30.225 30.300 -0.050 0.000 0.856 246 R HN 0.270 nan 8.270 nan 0.000 0.436 247 R N -0.193 120.270 120.500 -0.061 0.000 2.075 247 R HA -0.029 4.313 4.340 0.004 0.000 0.232 247 R C 2.384 178.747 176.300 0.104 0.000 1.126 247 R CA 1.211 57.263 56.100 -0.080 0.000 0.963 247 R CB -0.376 29.722 30.300 -0.337 0.000 0.858 247 R HN 0.217 nan 8.270 nan 0.000 0.435 248 A N 0.784 123.703 122.820 0.165 0.000 1.892 248 A HA -0.205 4.117 4.320 0.004 0.000 0.218 248 A C 2.183 179.799 177.584 0.054 0.000 1.188 248 A CA 2.235 54.365 52.037 0.155 0.000 0.631 248 A CB -1.011 18.015 19.000 0.043 0.000 0.822 248 A HN 0.323 nan 8.150 nan 0.000 0.447 249 T N -0.144 114.424 114.554 0.023 0.000 2.777 249 T HA -0.107 4.245 4.350 0.004 0.000 0.266 249 T C 1.830 176.537 174.700 0.011 0.000 1.040 249 T CA 1.403 63.505 62.100 0.002 0.000 1.141 249 T CB -0.353 68.511 68.868 -0.007 0.000 0.868 249 T HN 0.300 nan 8.240 nan 0.000 0.444 250 L N 1.151 122.389 121.223 0.025 0.000 2.017 250 L HA 0.095 4.438 4.340 0.004 0.000 0.208 250 L C 2.193 179.092 176.870 0.049 0.000 1.073 250 L CA 1.452 56.310 54.840 0.030 0.000 0.745 250 L CB -0.929 41.146 42.059 0.026 0.000 0.894 250 L HN 0.203 nan 8.230 nan 0.000 0.432 251 L N -0.132 121.149 121.223 0.098 0.000 2.017 251 L HA -0.079 4.263 4.340 0.004 0.000 0.208 251 L C 2.530 179.407 176.870 0.012 0.000 1.073 251 L CA 2.054 56.959 54.840 0.107 0.000 0.745 251 L CB -0.996 41.199 42.059 0.227 0.000 0.894 251 L HN 0.269 nan 8.230 nan 0.000 0.432 252 A N -0.172 122.647 122.820 -0.002 0.000 1.903 252 A HA -0.338 3.984 4.320 0.004 0.000 0.219 252 A C 2.525 180.086 177.584 -0.037 0.000 1.191 252 A CA 2.335 54.353 52.037 -0.031 0.000 0.638 252 A CB -0.786 18.193 19.000 -0.035 0.000 0.823 252 A HN 0.542 nan 8.150 nan 0.000 0.451 253 R N -0.626 119.858 120.500 -0.026 0.000 2.073 253 R HA -0.035 4.308 4.340 0.004 0.000 0.234 253 R C 2.001 178.266 176.300 -0.059 0.000 1.134 253 R CA 1.537 57.619 56.100 -0.030 0.000 0.952 253 R CB -0.431 29.861 30.300 -0.013 0.000 0.850 253 R HN 0.547 nan 8.270 nan 0.000 0.433 254 L N 0.510 121.687 121.223 -0.076 0.000 2.265 254 L HA -0.100 4.242 4.340 0.004 0.000 0.215 254 L C 1.756 178.418 176.870 -0.347 0.000 1.117 254 L CA 0.652 55.391 54.840 -0.169 0.000 0.782 254 L CB -0.103 41.875 42.059 -0.135 0.000 0.914 254 L HN 0.206 nan 8.230 nan 0.000 0.441 255 V N -3.860 115.899 119.914 -0.258 0.000 3.444 255 V HA 0.504 4.626 4.120 0.004 0.000 0.308 255 V C 1.106 177.135 176.094 -0.108 0.000 1.371 255 V CA 0.145 62.307 62.300 -0.230 0.000 1.141 255 V CB -0.359 31.377 31.823 -0.147 0.000 1.037 255 V HN 0.401 nan 8.190 nan 0.000 0.433 256 G N -0.215 108.533 108.800 -0.087 0.000 2.212 256 G HA2 -0.218 3.744 3.960 0.004 0.000 0.255 256 G HA3 -0.218 3.744 3.960 0.004 0.000 0.255 256 G C -0.086 174.796 174.900 -0.029 0.000 1.062 256 G CA -0.020 45.052 45.100 -0.047 0.000 0.815 256 G HN 0.709 nan 8.290 nan 0.000 0.497 257 c N 1.302 119.883 118.600 -0.030 0.000 2.345 257 c HA 0.743 5.315 4.570 0.004 0.000 0.323 257 c C -1.042 173.038 174.090 -0.017 0.000 1.276 257 c CA -1.211 55.107 56.329 -0.018 0.000 1.543 257 c CB 1.434 43.934 42.510 -0.016 0.000 2.211 257 c HN 0.547 nan 8.230 nan 0.000 0.493 265 N N -0.096 118.603 118.700 -0.002 0.000 2.149 265 N HA -0.014 4.728 4.740 0.004 0.000 0.215 265 N C 0.508 176.015 175.510 -0.005 0.000 1.357 265 N CA 0.774 53.822 53.050 -0.003 0.000 0.869 265 N CB 0.663 39.150 38.487 0.001 0.000 1.063 265 N HN -0.064 nan 8.380 nan 0.000 0.439 266 D N -1.689 118.708 120.400 -0.005 0.000 2.213 266 D HA -0.031 4.611 4.640 0.004 0.000 0.205 266 D C 1.453 177.750 176.300 -0.004 0.000 0.961 266 D CA 1.219 55.213 54.000 -0.010 0.000 0.853 266 D CB -0.626 40.167 40.800 -0.012 0.000 0.967 266 D HN 0.650 nan 8.370 nan 0.000 0.496 267 T N 1.265 115.822 114.554 0.005 0.000 2.708 267 T HA -0.138 4.214 4.350 0.004 0.000 0.266 267 T C 1.772 176.481 174.700 0.016 0.000 1.037 267 T CA 1.175 63.284 62.100 0.014 0.000 1.146 267 T CB -0.188 68.690 68.868 0.016 0.000 0.865 267 T HN 0.295 nan 8.240 nan 0.000 0.435 268 E N 0.748 120.954 120.200 0.011 0.000 2.051 268 E HA -0.084 4.268 4.350 0.004 0.000 0.192 268 E C 2.226 178.831 176.600 0.009 0.000 0.991 268 E CA 0.844 57.251 56.400 0.011 0.000 0.799 268 E CB -0.321 29.383 29.700 0.006 0.000 0.748 268 E HN 0.320 nan 8.360 nan 0.000 0.449 269 L N 0.901 122.123 121.223 -0.002 0.000 2.046 269 L HA -0.186 4.156 4.340 0.004 0.000 0.208 269 L C 2.234 179.097 176.870 -0.012 0.000 1.077 269 L CA 1.294 56.127 54.840 -0.013 0.000 0.747 269 L CB -0.054 41.988 42.059 -0.028 0.000 0.896 269 L HN 0.117 nan 8.230 nan 0.000 0.432 270 I N -0.647 119.918 120.570 -0.008 0.000 2.286 270 I HA -0.228 3.944 4.170 0.004 0.000 0.245 270 I C 2.676 178.853 176.117 0.100 0.000 1.104 270 I CA 0.934 62.245 61.300 0.019 0.000 1.397 270 I CB -0.575 37.437 38.000 0.019 0.000 1.072 270 I HN 0.298 nan 8.210 nan 0.000 0.417 271 A N -0.090 122.770 122.820 0.068 0.000 1.908 271 A HA -0.300 4.023 4.320 0.004 0.000 0.218 271 A C 2.539 180.162 177.584 0.065 0.000 1.181 271 A CA 2.032 54.110 52.037 0.067 0.000 0.627 271 A CB -1.350 17.676 19.000 0.043 0.000 0.818 271 A HN 0.619 nan 8.150 nan 0.000 0.445 272 c N -0.509 118.120 118.600 0.048 0.000 2.446 272 c HA 0.022 4.594 4.570 0.004 0.000 0.277 272 c C 2.473 176.600 174.090 0.061 0.000 1.275 272 c CA 0.991 57.344 56.329 0.040 0.000 1.727 272 c CB -1.603 40.919 42.510 0.020 0.000 2.010 272 c HN 0.585 nan 8.230 nan 0.000 0.486 273 L N 0.179 121.453 121.223 0.085 0.000 2.556 273 L HA -0.143 4.200 4.340 0.004 0.000 0.230 273 L C 2.789 179.781 176.870 0.203 0.000 1.163 273 L CA 1.284 56.213 54.840 0.149 0.000 0.819 273 L CB -0.551 41.605 42.059 0.161 0.000 0.939 273 L HN 0.436 nan 8.230 nan 0.000 0.452 274 R N -1.854 118.732 120.500 0.143 0.000 2.279 274 R HA 0.030 4.372 4.340 0.004 0.000 0.195 274 R C 1.194 177.504 176.300 0.016 0.000 0.905 274 R CA 0.891 57.044 56.100 0.088 0.000 1.044 274 R CB 0.500 30.867 30.300 0.112 0.000 1.056 274 R HN 0.205 nan 8.270 nan 0.000 0.535 275 T N -0.016 114.550 114.554 0.020 0.000 13.157 275 T HA -0.256 4.096 4.350 0.004 0.000 0.419 275 T C 0.111 174.825 174.700 0.023 0.000 1.441 275 T CA 1.824 63.940 62.100 0.027 0.000 2.364 275 T CB -0.692 68.195 68.868 0.032 0.000 2.813 275 T HN 0.196 nan 8.240 nan 0.000 0.644 276 R N 3.036 123.557 120.500 0.035 0.000 2.539 276 R HA 0.460 4.802 4.340 0.004 0.000 0.275 276 R C -2.557 173.755 176.300 0.020 0.000 1.077 276 R CA -2.006 54.113 56.100 0.031 0.000 1.097 276 R CB -0.354 29.970 30.300 0.040 0.000 1.018 276 R HN 0.402 nan 8.270 nan 0.000 0.483 277 P HA 0.086 nan 4.420 nan 0.000 0.271 277 P C 0.175 177.457 177.300 -0.029 0.000 1.216 277 P CA 0.005 63.098 63.100 -0.012 0.000 0.776 277 P CB 0.661 32.362 31.700 0.003 0.000 0.881 278 A N 2.569 125.303 122.820 -0.143 0.000 1.948 278 A HA -0.292 4.031 4.320 0.004 0.000 0.220 278 A C 2.161 179.635 177.584 -0.184 0.000 1.177 278 A CA 1.976 53.877 52.037 -0.227 0.000 0.636 278 A CB -1.210 17.183 19.000 -1.013 0.000 0.815 278 A HN 0.539 nan 8.150 nan 0.000 0.449 279 Q N -0.033 119.664 119.800 -0.172 0.000 2.119 279 Q HA -0.147 4.195 4.340 0.004 0.000 0.201 279 Q C 1.306 177.398 176.000 0.154 0.000 0.972 279 Q CA 1.941 57.805 55.803 0.101 0.000 0.847 279 Q CB -0.350 28.487 28.738 0.164 0.000 0.903 279 Q HN 0.635 nan 8.270 nan 0.000 0.433 280 D N -0.475 119.999 120.400 0.123 0.000 2.144 280 D HA -0.135 4.508 4.640 0.004 0.000 0.199 280 D C 1.736 178.184 176.300 0.246 0.000 0.984 280 D CA 0.979 55.092 54.000 0.188 0.000 0.834 280 D CB -0.113 40.772 40.800 0.142 0.000 0.955 280 D HN 0.309 nan 8.370 nan 0.000 0.465 281 L N 0.004 121.321 121.223 0.158 0.000 2.056 281 L HA -0.124 4.218 4.340 0.004 0.000 0.207 281 L C 2.486 179.475 176.870 0.199 0.000 1.078 281 L CA 0.588 55.494 54.840 0.109 0.000 0.749 281 L CB -0.512 41.480 42.059 -0.111 0.000 0.901 281 L HN -0.045 nan 8.230 nan 0.000 0.433 282 V N -0.121 119.960 119.914 0.278 0.000 2.295 282 V HA -0.280 3.842 4.120 0.004 0.000 0.246 282 V C 2.063 178.335 176.094 0.296 0.000 1.049 282 V CA 1.895 64.411 62.300 0.360 0.000 1.024 282 V CB -0.576 31.536 31.823 0.481 0.000 0.648 282 V HN 0.416 nan 8.190 nan 0.000 0.447 283 D N -0.701 119.829 120.400 0.217 0.000 2.271 283 D HA -0.171 4.471 4.640 0.004 0.000 0.207 283 D C 1.686 177.929 176.300 -0.096 0.000 0.983 283 D CA 1.576 55.604 54.000 0.047 0.000 0.878 283 D CB -0.209 40.550 40.800 -0.070 0.000 0.920 283 D HN 0.660 nan 8.370 nan 0.000 0.479 284 H N -1.206 117.972 119.070 0.180 0.000 2.893 284 H HA 0.217 4.775 4.556 0.004 0.000 0.270 284 H C 1.454 176.966 175.328 0.307 0.000 1.095 284 H CA -0.250 55.901 56.048 0.172 0.000 1.186 284 H CB 0.661 30.470 29.762 0.077 0.000 1.562 284 H HN 0.015 nan 8.280 nan 0.000 0.536 285 E N 0.633 121.099 120.200 0.444 0.000 2.086 285 E HA -0.260 4.092 4.350 0.004 0.000 0.200 285 E C 1.144 178.091 176.600 0.578 0.000 1.012 285 E CA 1.239 57.973 56.400 0.556 0.000 0.812 285 E CB -0.062 29.966 29.700 0.546 0.000 0.743 285 E HN 0.644 nan 8.360 nan 0.000 0.453 286 W N -0.193 121.211 121.300 0.174 0.000 2.678 286 W HA -0.083 4.579 4.660 0.003 0.000 0.256 286 W C 1.333 177.868 176.519 0.028 0.000 1.280 286 W CA 0.396 57.766 57.345 0.041 0.000 1.345 286 W CB 0.117 29.531 29.460 -0.076 0.000 1.118 286 W HN 0.288 nan 8.180 nan 0.000 0.629 287 H N -0.606 118.583 119.070 0.197 0.000 2.559 287 H HA -0.100 4.458 4.556 0.004 0.000 0.273 287 H C 2.096 177.436 175.328 0.020 0.000 1.000 287 H CA 1.514 57.627 56.048 0.109 0.000 1.195 287 H CB -0.055 29.811 29.762 0.174 0.000 1.368 287 H HN 0.056 nan 8.280 nan 0.000 0.592 288 V N -1.939 118.006 119.914 0.051 0.000 3.649 288 V HA 0.170 4.292 4.120 0.004 0.000 0.275 288 V C 0.625 176.602 176.094 -0.194 0.000 1.281 288 V CA -0.045 62.224 62.300 -0.052 0.000 1.143 288 V CB -0.583 31.205 31.823 -0.057 0.000 0.892 288 V HN 0.073 nan 8.190 nan 0.000 0.441 289 L N 2.643 123.694 121.223 -0.287 0.000 2.410 289 L HA 0.281 4.623 4.340 0.004 0.000 0.273 289 L C -0.338 176.393 176.870 -0.231 0.000 1.152 289 L CA -1.178 53.452 54.840 -0.350 0.000 0.855 289 L CB 1.038 42.779 42.059 -0.530 0.000 1.129 289 L HN 0.133 nan 8.230 nan 0.000 0.463 290 P HA -0.119 nan 4.420 nan 0.000 0.218 290 P C -0.187 177.044 177.300 -0.116 0.000 1.149 290 P CA 1.200 64.220 63.100 -0.134 0.000 0.817 290 P CB 0.415 32.042 31.700 -0.122 0.000 0.785 291 Q N -1.243 118.477 119.800 -0.134 0.000 2.528 291 Q HA 0.378 4.720 4.340 0.004 0.000 0.289 291 Q C -0.569 175.359 176.000 -0.120 0.000 1.091 291 Q CA -0.830 54.909 55.803 -0.106 0.000 0.797 291 Q CB 1.117 29.804 28.738 -0.085 0.000 1.466 291 Q HN -0.052 nan 8.270 nan 0.000 0.436 292 E N 0.853 121.003 120.200 -0.083 0.000 2.366 292 E HA 0.338 4.690 4.350 0.004 0.000 0.266 292 E C -1.064 175.496 176.600 -0.067 0.000 1.015 292 E CA 0.074 56.434 56.400 -0.066 0.000 0.906 292 E CB 0.362 30.043 29.700 -0.032 0.000 0.979 292 E HN 0.586 nan 8.360 nan 0.000 0.443 293 S N 3.583 119.243 115.700 -0.066 0.000 2.565 293 S HA 0.563 5.035 4.470 0.004 0.000 0.269 293 S C -0.539 174.048 174.600 -0.021 0.000 1.153 293 S CA -1.059 57.100 58.200 -0.069 0.000 0.835 293 S CB 0.609 63.726 63.200 -0.139 0.000 1.122 293 S HN 0.542 nan 8.310 nan 0.000 0.462 294 I N -2.147 118.416 120.570 -0.013 0.000 2.797 294 I HA 0.824 4.996 4.170 0.004 0.000 0.307 294 I C -0.107 175.966 176.117 -0.072 0.000 1.033 294 I CA -1.130 60.185 61.300 0.024 0.000 1.071 294 I CB 0.923 38.989 38.000 0.109 0.000 1.255 294 I HN 0.762 nan 8.210 nan 0.000 0.445 295 F N 1.697 121.410 119.950 -0.395 0.000 3.074 295 F HA -0.183 4.346 4.527 0.004 0.000 0.289 295 F C -0.190 175.025 175.800 -0.975 0.000 0.863 295 F CA 0.624 58.127 58.000 -0.830 0.000 1.121 295 F CB -0.665 37.809 39.000 -0.877 0.000 1.169 295 F HN 0.597 nan 8.300 nan 0.000 0.570 296 R N 0.146 120.160 120.500 -0.811 0.000 2.750 296 R HA 0.711 5.053 4.340 0.004 0.000 0.281 296 R C -0.969 174.736 176.300 -0.992 0.000 0.972 296 R CA -0.578 55.067 56.100 -0.759 0.000 0.912 296 R CB 1.516 31.573 30.300 -0.405 0.000 1.187 296 R HN -0.004 nan 8.270 nan 0.000 0.464 297 F N -0.957 118.959 119.950 -0.056 0.000 2.565 297 F HA 0.332 4.860 4.527 0.003 0.000 0.313 297 F C 1.437 177.103 175.800 -0.224 0.000 1.091 297 F CA -0.803 57.151 58.000 -0.078 0.000 0.915 297 F CB 1.931 41.183 39.000 0.419 0.000 1.208 297 F HN 0.356 nan 8.300 nan 0.000 0.453 298 S N 0.772 116.376 115.700 -0.160 0.000 2.368 298 S HA -0.005 4.468 4.470 0.004 0.000 0.224 298 S C -0.078 174.225 174.600 -0.494 0.000 1.029 298 S CA 1.230 59.201 58.200 -0.382 0.000 0.988 298 S CB -0.203 62.849 63.200 -0.247 0.000 0.838 298 S HN 0.371 nan 8.310 nan 0.000 0.462 299 F N 1.155 121.242 119.950 0.228 0.000 2.500 299 F HA 0.524 5.053 4.527 0.004 0.000 0.349 299 F C -0.135 175.747 175.800 0.136 0.000 1.127 299 F CA -0.960 57.166 58.000 0.211 0.000 0.998 299 F CB 1.486 40.660 39.000 0.290 0.000 1.237 299 F HN -0.119 nan 8.300 nan 0.000 0.439 300 V N 0.724 120.641 119.914 0.005 0.000 3.158 300 V HA 0.770 4.892 4.120 0.004 0.000 0.311 300 V C -2.880 172.857 176.094 -0.595 0.000 1.181 300 V CA -3.385 58.585 62.300 -0.550 0.000 1.054 300 V CB 2.000 33.669 31.823 -0.257 0.000 1.085 300 V HN 0.272 nan 8.190 nan 0.000 0.446 301 P HA 0.104 nan 4.420 nan 0.000 0.264 301 P C -0.673 176.495 177.300 -0.219 0.000 1.179 301 P CA 0.563 63.389 63.100 -0.458 0.000 0.763 301 P CB 0.485 31.836 31.700 -0.580 0.000 0.806 302 V N 5.019 124.884 119.914 -0.081 0.000 2.581 302 V HA 0.227 4.349 4.120 0.004 0.000 0.303 302 V C -0.251 175.827 176.094 -0.026 0.000 1.041 302 V CA -0.844 61.430 62.300 -0.043 0.000 0.907 302 V CB 2.081 33.911 31.823 0.011 0.000 0.994 302 V HN 0.124 nan 8.190 nan 0.000 0.442 303 V N 7.224 127.123 119.914 -0.027 0.000 2.341 303 V HA 0.156 4.278 4.120 0.004 0.000 0.248 303 V C 0.763 176.866 176.094 0.015 0.000 1.107 303 V CA 0.292 62.589 62.300 -0.004 0.000 1.069 303 V CB 0.096 31.907 31.823 -0.020 0.000 1.177 303 V HN 1.065 nan 8.190 nan 0.000 0.492 304 D N 2.558 122.983 120.400 0.043 0.000 2.350 304 D HA 0.098 4.740 4.640 0.004 0.000 0.213 304 D C 1.538 177.865 176.300 0.046 0.000 1.031 304 D CA 0.655 54.684 54.000 0.048 0.000 0.861 304 D CB 0.204 41.046 40.800 0.070 0.000 0.926 304 D HN 0.657 nan 8.370 nan 0.000 0.520 305 G N 0.731 109.558 108.800 0.046 0.000 2.198 305 G HA2 -0.304 3.658 3.960 0.004 0.000 0.260 305 G HA3 -0.304 3.658 3.960 0.004 0.000 0.260 305 G C 0.219 175.147 174.900 0.047 0.000 1.025 305 G CA 0.782 45.904 45.100 0.037 0.000 0.769 305 G HN 0.549 nan 8.290 nan 0.000 0.507 306 D N -2.003 118.442 120.400 0.076 0.000 2.797 306 D HA 0.177 4.820 4.640 0.004 0.000 0.151 306 D C 1.572 177.939 176.300 0.112 0.000 1.472 306 D CA 0.446 54.497 54.000 0.086 0.000 1.553 306 D CB -0.701 40.159 40.800 0.101 0.000 1.590 306 D HN 0.080 nan 8.370 nan 0.000 0.217 307 F N 1.475 121.445 119.950 0.033 0.000 2.075 307 F HA 0.252 4.781 4.527 0.003 0.000 0.297 307 F C 0.605 176.420 175.800 0.024 0.000 1.113 307 F CA 1.166 59.188 58.000 0.037 0.000 1.218 307 F CB 0.146 39.169 39.000 0.040 0.000 0.984 307 F HN -0.019 nan 8.300 nan 0.000 0.472 308 L N 0.957 122.362 121.223 0.302 0.000 2.262 308 L HA 0.195 4.537 4.340 0.004 0.000 0.288 308 L C 1.359 178.279 176.870 0.083 0.000 1.035 308 L CA -0.155 54.784 54.840 0.164 0.000 0.820 308 L CB 1.358 43.496 42.059 0.132 0.000 1.204 308 L HN 0.119 nan 8.230 nan 0.000 0.424 309 S N 0.488 116.217 115.700 0.047 0.000 2.461 309 S HA 0.010 4.482 4.470 0.004 0.000 0.228 309 S C 0.443 175.055 174.600 0.020 0.000 1.005 309 S CA 0.311 58.527 58.200 0.027 0.000 0.942 309 S CB 0.220 63.426 63.200 0.009 0.000 0.776 309 S HN 0.712 nan 8.310 nan 0.000 0.514 310 D N 0.505 120.918 120.400 0.021 0.000 2.752 310 D HA 0.304 4.947 4.640 0.004 0.000 0.313 310 D C -0.849 175.455 176.300 0.006 0.000 1.225 310 D CA -0.010 53.996 54.000 0.010 0.000 0.976 310 D CB 1.518 42.321 40.800 0.005 0.000 1.443 310 D HN 0.228 nan 8.370 nan 0.000 0.515 311 T N -0.757 113.792 114.554 -0.008 0.000 2.937 311 T HA 0.175 4.527 4.350 0.004 0.000 0.316 311 T C -1.799 172.890 174.700 -0.017 0.000 1.079 311 T CA -0.648 61.438 62.100 -0.024 0.000 1.131 311 T CB 0.880 69.727 68.868 -0.036 0.000 1.000 311 T HN 0.121 nan 8.240 nan 0.000 0.549 312 P HA -0.108 nan 4.420 nan 0.000 0.216 312 P C 1.398 178.685 177.300 -0.022 0.000 1.150 312 P CA 1.095 64.177 63.100 -0.029 0.000 0.843 312 P CB 0.068 31.721 31.700 -0.079 0.000 0.787 313 E N -0.500 119.675 120.200 -0.040 0.000 2.058 313 E HA -0.173 4.179 4.350 0.004 0.000 0.194 313 E C 2.149 178.748 176.600 -0.001 0.000 0.997 313 E CA 1.751 58.133 56.400 -0.030 0.000 0.801 313 E CB -1.111 28.563 29.700 -0.043 0.000 0.746 313 E HN 0.145 nan 8.360 nan 0.000 0.450 314 A N 0.270 123.090 122.820 -0.000 0.000 1.930 314 A HA -0.104 4.218 4.320 0.004 0.000 0.217 314 A C 2.158 179.762 177.584 0.033 0.000 1.175 314 A CA 0.981 53.024 52.037 0.011 0.000 0.627 314 A CB -0.539 18.462 19.000 0.002 0.000 0.815 314 A HN 0.188 nan 8.150 nan 0.000 0.443 315 L N -0.103 121.148 121.223 0.046 0.000 2.093 315 L HA -0.126 4.216 4.340 0.004 0.000 0.208 315 L C 2.528 179.505 176.870 0.178 0.000 1.085 315 L CA 1.507 56.400 54.840 0.088 0.000 0.755 315 L CB -0.624 41.489 42.059 0.090 0.000 0.904 315 L HN 0.666 nan 8.230 nan 0.000 0.435 316 I N -3.069 117.594 120.570 0.156 0.000 2.761 316 I HA -0.087 4.085 4.170 0.004 0.000 0.261 316 I C 1.818 178.052 176.117 0.195 0.000 1.198 316 I CA 1.058 62.485 61.300 0.212 0.000 1.482 316 I CB -0.364 37.664 38.000 0.047 0.000 1.100 316 I HN 0.149 nan 8.210 nan 0.000 0.445 317 N N 1.409 120.174 118.700 0.107 0.000 2.354 317 N HA -0.089 4.653 4.740 0.004 0.000 0.179 317 N C 1.821 177.372 175.510 0.068 0.000 1.021 317 N CA 2.006 55.102 53.050 0.077 0.000 0.887 317 N CB -0.255 38.256 38.487 0.040 0.000 0.974 317 N HN 0.675 nan 8.380 nan 0.000 0.437 318 T N -3.875 110.712 114.554 0.055 0.000 3.003 318 T HA 0.294 4.646 4.350 0.004 0.000 0.261 318 T C 1.008 175.668 174.700 -0.067 0.000 1.003 318 T CA -0.316 61.785 62.100 0.002 0.000 0.917 318 T CB -0.044 68.817 68.868 -0.011 0.000 1.084 318 T HN 0.047 nan 8.240 nan 0.000 0.522 319 G N 1.323 110.072 108.800 -0.085 0.000 2.491 319 G HA2 0.331 4.293 3.960 0.004 0.000 0.238 319 G HA3 0.331 4.293 3.960 0.004 0.000 0.238 319 G C -0.782 173.687 174.900 -0.719 0.000 1.277 319 G CA -0.337 44.482 45.100 -0.468 0.000 0.851 319 G HN 0.372 nan 8.290 nan 0.000 0.573 320 D N 0.859 120.822 120.400 -0.728 0.000 2.232 320 D HA 0.277 4.919 4.640 0.004 0.000 0.242 320 D C -0.604 175.253 176.300 -0.739 0.000 1.093 320 D CA -0.457 53.220 54.000 -0.539 0.000 0.845 320 D CB 0.921 41.560 40.800 -0.269 0.000 1.124 320 D HN 0.123 nan 8.370 nan 0.000 0.467 321 F N 2.266 122.214 119.950 -0.004 0.000 2.835 321 F HA 0.193 4.723 4.527 0.004 0.000 0.342 321 F C 1.928 177.722 175.800 -0.009 0.000 1.202 321 F CA -0.486 57.513 58.000 -0.002 0.000 1.240 321 F CB 0.234 39.242 39.000 0.013 0.000 1.005 321 F HN 0.371 nan 8.300 nan 0.000 0.507 322 Q N 1.048 120.891 119.800 0.072 0.000 2.096 322 Q HA -0.224 4.118 4.340 0.004 0.000 0.204 322 Q C 1.337 177.355 176.000 0.030 0.000 0.982 322 Q CA 2.290 58.118 55.803 0.041 0.000 0.850 322 Q CB 0.070 28.808 28.738 0.000 0.000 0.901 322 Q HN 0.505 nan 8.270 nan 0.000 0.422 323 D N -0.740 119.667 120.400 0.013 0.000 2.349 323 D HA -0.025 4.617 4.640 0.004 0.000 0.224 323 D C -0.085 176.191 176.300 -0.040 0.000 1.029 323 D CA 0.049 54.030 54.000 -0.030 0.000 0.879 323 D CB -0.003 40.759 40.800 -0.063 0.000 0.906 323 D HN 0.091 nan 8.370 nan 0.000 0.528 324 L N 0.597 121.843 121.223 0.039 0.000 2.309 324 L HA 0.400 4.742 4.340 0.004 0.000 0.282 324 L C -0.859 176.050 176.870 0.065 0.000 1.036 324 L CA -0.372 54.503 54.840 0.059 0.000 0.806 324 L CB 1.556 43.705 42.059 0.151 0.000 1.220 324 L HN -0.123 nan 8.230 nan 0.000 0.429 325 Q N 4.108 123.955 119.800 0.079 0.000 2.325 325 Q HA 0.665 5.007 4.340 0.004 0.000 0.270 325 Q C -1.297 174.931 176.000 0.380 0.000 1.020 325 Q CA -0.676 55.235 55.803 0.181 0.000 0.785 325 Q CB 2.409 31.195 28.738 0.080 0.000 1.259 325 Q HN 0.551 nan 8.270 nan 0.000 0.452 326 V N 0.412 120.522 119.914 0.327 0.000 2.656 326 V HA 0.704 4.826 4.120 0.004 0.000 0.307 326 V C -1.057 175.001 176.094 -0.060 0.000 1.051 326 V CA -1.160 61.259 62.300 0.200 0.000 0.893 326 V CB 1.617 33.468 31.823 0.046 0.000 0.999 326 V HN 0.655 nan 8.190 nan 0.000 0.426 327 L N 6.244 127.186 121.223 -0.468 0.000 2.287 327 L HA 0.875 5.217 4.340 0.004 0.000 0.287 327 L C -0.243 176.492 176.870 -0.225 0.000 1.022 327 L CA -0.129 54.347 54.840 -0.606 0.000 0.814 327 L CB 1.432 42.658 42.059 -1.388 0.000 1.217 327 L HN 0.928 nan 8.230 nan 0.000 0.420 328 V N 2.199 122.057 119.914 -0.094 0.000 3.001 328 V HA 1.133 5.255 4.120 0.004 0.000 0.314 328 V C -0.103 175.803 176.094 -0.314 0.000 1.099 328 V CA 0.222 62.460 62.300 -0.102 0.000 0.989 328 V CB 1.160 32.896 31.823 -0.146 0.000 1.040 328 V HN 1.052 nan 8.190 nan 0.000 0.434 329 G N 0.559 109.013 108.800 -0.578 0.000 2.428 329 G HA2 0.760 4.723 3.960 0.004 0.000 0.304 329 G HA3 0.760 4.723 3.960 0.004 0.000 0.304 329 G C -1.156 173.403 174.900 -0.568 0.000 1.303 329 G CA 0.116 44.515 45.100 -1.169 0.000 0.825 329 G HN 2.091 nan 8.290 nan 0.000 0.484 330 V N -2.432 117.276 119.914 -0.343 0.000 3.159 330 V HA 0.920 5.043 4.120 0.004 0.000 0.308 330 V C 0.160 176.451 176.094 0.328 0.000 1.190 330 V CA -0.412 61.933 62.300 0.075 0.000 1.037 330 V CB 1.137 32.981 31.823 0.034 0.000 1.060 330 V HN 1.854 nan 8.190 nan 0.000 0.437 331 V N -0.591 119.543 119.914 0.366 0.000 2.966 331 V HA 0.579 4.701 4.120 0.004 0.000 0.317 331 V C 1.396 177.692 176.094 0.337 0.000 1.070 331 V CA -0.112 62.462 62.300 0.457 0.000 1.008 331 V CB 1.272 33.362 31.823 0.445 0.000 1.070 331 V HN 1.067 nan 8.190 nan 0.000 0.457 332 K N -0.101 120.490 120.400 0.318 0.000 2.103 332 K HA -0.101 4.221 4.320 0.004 0.000 0.207 332 K C 0.363 177.087 176.600 0.207 0.000 1.048 332 K CA 1.991 58.413 56.287 0.225 0.000 0.930 332 K CB 0.060 32.667 32.500 0.178 0.000 0.716 332 K HN 0.903 nan 8.250 nan 0.000 0.444 333 D N 0.892 121.426 120.400 0.223 0.000 2.607 333 D HA 0.028 4.670 4.640 0.004 0.000 0.318 333 D C 0.118 176.555 176.300 0.229 0.000 1.212 333 D CA -0.084 54.036 54.000 0.200 0.000 0.861 333 D CB 1.293 42.190 40.800 0.162 0.000 1.064 333 D HN 0.117 nan 8.370 nan 0.000 0.500 334 E N 0.567 120.915 120.200 0.247 0.000 2.118 334 E HA -0.129 4.223 4.350 0.004 0.000 0.195 334 E C 1.942 178.741 176.600 0.333 0.000 0.992 334 E CA 0.839 57.423 56.400 0.306 0.000 0.804 334 E CB 0.134 29.970 29.700 0.225 0.000 0.741 334 E HN 0.456 nan 8.360 nan 0.000 0.458 335 G N 0.692 109.645 108.800 0.254 0.000 2.662 335 G HA2 -0.135 3.827 3.960 0.004 0.000 0.212 335 G HA3 -0.135 3.827 3.960 0.004 0.000 0.212 335 G C 1.668 176.750 174.900 0.303 0.000 1.141 335 G CA 0.753 46.032 45.100 0.299 0.000 0.797 335 G HN 0.357 nan 8.290 nan 0.000 0.531 336 S N 1.722 117.546 115.700 0.207 0.000 2.372 336 S HA -0.123 4.349 4.470 0.004 0.000 0.227 336 S C 2.507 177.128 174.600 0.034 0.000 1.044 336 S CA 1.787 60.089 58.200 0.170 0.000 1.050 336 S CB -0.688 62.571 63.200 0.098 0.000 0.901 336 S HN 0.596 nan 8.310 nan 0.000 0.447 337 A N -0.085 122.637 122.820 -0.162 0.000 2.168 337 A HA 0.318 4.640 4.320 0.004 0.000 0.215 337 A C 1.663 179.090 177.584 -0.262 0.000 1.152 337 A CA 0.553 52.330 52.037 -0.434 0.000 0.716 337 A CB -0.906 17.590 19.000 -0.840 0.000 0.794 337 A HN 0.585 nan 8.150 nan 0.000 0.465 338 F N -0.264 119.666 119.950 -0.034 0.000 2.558 338 F HA 0.069 4.598 4.527 0.003 0.000 0.298 338 F C 1.840 177.702 175.800 0.105 0.000 1.119 338 F CA 0.581 58.597 58.000 0.027 0.000 1.451 338 F CB -0.184 38.772 39.000 -0.074 0.000 1.091 338 F HN 0.127 nan 8.300 nan 0.000 0.563 339 L N -0.134 121.199 121.223 0.183 0.000 2.141 339 L HA -0.131 4.211 4.340 0.004 0.000 0.209 339 L C 2.361 179.318 176.870 0.144 0.000 1.094 339 L CA 0.933 55.755 54.840 -0.029 0.000 0.763 339 L CB -0.878 40.896 42.059 -0.476 0.000 0.908 339 L HN 0.147 nan 8.230 nan 0.000 0.437 340 V N -4.639 115.431 119.914 0.260 0.000 3.444 340 V HA -0.167 3.955 4.120 0.004 0.000 0.271 340 V C 1.040 177.122 176.094 -0.019 0.000 1.188 340 V CA 0.808 63.240 62.300 0.219 0.000 1.168 340 V CB -1.245 30.753 31.823 0.292 0.000 0.810 340 V HN 0.305 nan 8.190 nan 0.000 0.500 341 Y N 1.676 122.081 120.300 0.176 0.000 2.811 341 Y HA 0.683 5.235 4.550 0.003 0.000 0.330 341 Y C 1.555 177.532 175.900 0.128 0.000 1.081 341 Y CA 0.256 58.440 58.100 0.140 0.000 1.408 341 Y CB 0.593 39.126 38.460 0.122 0.000 1.235 341 Y HN 0.378 nan 8.280 nan 0.000 0.529 342 G N -1.396 107.518 108.800 0.190 0.000 3.259 342 G HA2 -0.147 3.815 3.960 0.004 0.000 0.217 342 G HA3 -0.147 3.815 3.960 0.004 0.000 0.217 342 G C -0.597 174.386 174.900 0.139 0.000 0.993 342 G CA -0.470 44.723 45.100 0.156 0.000 0.836 342 G HN -0.017 nan 8.290 nan 0.000 0.514 343 V N 3.266 123.277 119.914 0.161 0.000 2.408 343 V HA 0.415 4.537 4.120 0.004 0.000 0.267 343 V C -1.823 174.462 176.094 0.319 0.000 1.047 343 V CA -1.458 60.965 62.300 0.206 0.000 0.937 343 V CB 1.008 32.910 31.823 0.132 0.000 0.999 343 V HN 0.111 nan 8.190 nan 0.000 0.472 344 P HA 0.281 nan 4.420 nan 0.000 0.266 344 P C 1.047 178.439 177.300 0.153 0.000 1.195 344 P CA 1.218 64.413 63.100 0.159 0.000 0.768 344 P CB 0.758 32.515 31.700 0.094 0.000 0.838 345 G N 1.145 109.970 108.800 0.042 0.000 2.284 345 G HA2 -0.208 3.754 3.960 0.004 0.000 0.216 345 G HA3 -0.208 3.754 3.960 0.004 0.000 0.216 345 G C -0.167 174.538 174.900 -0.325 0.000 1.009 345 G CA -0.589 44.407 45.100 -0.173 0.000 0.625 345 G HN 0.404 nan 8.290 nan 0.000 0.501 346 F N 1.939 121.907 119.950 0.031 0.000 2.404 346 F HA 0.764 5.293 4.527 0.003 0.000 0.345 346 F C 0.693 176.588 175.800 0.158 0.000 1.110 346 F CA 0.122 58.164 58.000 0.070 0.000 1.130 346 F CB 2.082 41.167 39.000 0.142 0.000 1.129 346 F HN 0.160 nan 8.300 nan 0.000 0.500 347 S N 1.728 117.655 115.700 0.379 0.000 2.556 347 S HA 0.282 4.754 4.470 0.004 0.000 0.271 347 S C 0.393 175.291 174.600 0.497 0.000 1.135 347 S CA -0.887 57.538 58.200 0.376 0.000 0.858 347 S CB 1.441 64.772 63.200 0.218 0.000 1.114 347 S HN 0.768 nan 8.310 nan 0.000 0.468 348 K N 1.047 121.651 120.400 0.339 0.000 2.366 348 K HA 0.103 4.425 4.320 0.004 0.000 0.198 348 K C 0.016 176.651 176.600 0.058 0.000 1.044 348 K CA 1.225 57.598 56.287 0.143 0.000 0.973 348 K CB -0.074 32.206 32.500 -0.367 0.000 0.767 348 K HN 0.453 nan 8.250 nan 0.000 0.475 349 D N 0.911 121.350 120.400 0.064 0.000 2.349 349 D HA 0.020 4.662 4.640 0.004 0.000 0.214 349 D C -0.351 175.993 176.300 0.074 0.000 1.063 349 D CA 0.194 54.201 54.000 0.011 0.000 0.847 349 D CB 0.170 40.956 40.800 -0.024 0.000 0.933 349 D HN 0.469 nan 8.370 nan 0.000 0.513 350 N N -0.952 117.834 118.700 0.143 0.000 2.697 350 N HA 0.076 4.818 4.740 0.004 0.000 0.272 350 N C 0.476 176.067 175.510 0.134 0.000 1.381 350 N CA -0.500 52.609 53.050 0.097 0.000 0.797 350 N CB 1.018 39.519 38.487 0.023 0.000 1.523 350 N HN -0.445 nan 8.380 nan 0.000 0.518 351 E N -0.258 119.948 120.200 0.011 0.000 2.401 351 E HA -0.044 4.308 4.350 0.004 0.000 0.199 351 E C -0.342 175.930 176.600 -0.547 0.000 1.023 351 E CA 0.634 56.960 56.400 -0.124 0.000 0.859 351 E CB -0.627 29.026 29.700 -0.078 0.000 0.780 351 E HN 0.618 nan 8.360 nan 0.000 0.523 352 S N -0.294 115.128 115.700 -0.463 0.000 3.641 352 S HA -0.198 4.274 4.470 0.004 0.000 0.346 352 S C 0.248 174.455 174.600 -0.656 0.000 1.074 352 S CA 0.163 57.960 58.200 -0.671 0.000 1.026 352 S CB -1.785 60.791 63.200 -1.039 0.000 0.908 352 S HN 0.271 nan 8.310 nan 0.000 0.479 353 L N 1.880 122.855 121.223 -0.413 0.000 2.385 353 L HA 0.397 4.739 4.340 0.004 0.000 0.281 353 L C 0.799 177.486 176.870 -0.305 0.000 1.106 353 L CA -0.128 54.524 54.840 -0.313 0.000 0.856 353 L CB -0.004 41.934 42.059 -0.203 0.000 1.186 353 L HN 0.420 nan 8.230 nan 0.000 0.453 354 I N 0.192 120.574 120.570 -0.314 0.000 2.924 354 I HA 0.646 4.818 4.170 0.004 0.000 0.316 354 I C 0.606 176.646 176.117 -0.128 0.000 1.014 354 I CA -0.617 60.525 61.300 -0.263 0.000 1.106 354 I CB 1.718 39.532 38.000 -0.310 0.000 1.311 354 I HN 0.529 nan 8.210 nan 0.000 0.502 355 S N 1.619 117.276 115.700 -0.072 0.000 2.693 355 S HA 0.404 4.876 4.470 0.004 0.000 0.276 355 S C 0.884 175.503 174.600 0.031 0.000 1.192 355 S CA -0.609 57.574 58.200 -0.029 0.000 0.994 355 S CB 1.675 64.863 63.200 -0.020 0.000 1.012 355 S HN 0.846 nan 8.310 nan 0.000 0.550 356 R N 0.396 120.913 120.500 0.029 0.000 2.091 356 R HA -0.086 4.256 4.340 0.004 0.000 0.238 356 R C 2.304 178.694 176.300 0.149 0.000 1.136 356 R CA 1.644 57.793 56.100 0.083 0.000 0.959 356 R CB -1.103 29.218 30.300 0.036 0.000 0.856 356 R HN 0.835 nan 8.270 nan 0.000 0.437 357 A N 0.515 123.389 122.820 0.090 0.000 1.902 357 A HA -0.205 4.117 4.320 0.004 0.000 0.217 357 A C 2.016 179.655 177.584 0.092 0.000 1.181 357 A CA 1.515 53.601 52.037 0.081 0.000 0.623 357 A CB -0.456 18.573 19.000 0.048 0.000 0.818 357 A HN 0.522 nan 8.150 nan 0.000 0.443 358 Q N -1.940 117.916 119.800 0.093 0.000 2.224 358 Q HA -0.116 4.226 4.340 0.004 0.000 0.203 358 Q C 1.826 177.942 176.000 0.193 0.000 0.970 358 Q CA 1.399 57.266 55.803 0.106 0.000 0.865 358 Q CB -0.266 28.500 28.738 0.048 0.000 0.922 358 Q HN 0.808 nan 8.270 nan 0.000 0.445 359 F N 1.086 121.075 119.950 0.065 0.000 2.128 359 F HA -0.146 4.383 4.527 0.003 0.000 0.295 359 F C 1.730 177.573 175.800 0.071 0.000 1.100 359 F CA 1.035 59.087 58.000 0.087 0.000 1.260 359 F CB 0.047 39.082 39.000 0.059 0.000 1.009 359 F HN -0.069 nan 8.300 nan 0.000 0.476 360 L N 0.247 121.465 121.223 -0.008 0.000 2.083 360 L HA -0.184 4.158 4.340 0.004 0.000 0.209 360 L C 2.825 179.634 176.870 -0.101 0.000 1.083 360 L CA 1.104 55.878 54.840 -0.110 0.000 0.752 360 L CB -1.447 40.628 42.059 0.026 0.000 0.899 360 L HN 0.260 nan 8.230 nan 0.000 0.433 361 A N 0.660 123.465 122.820 -0.026 0.000 1.902 361 A HA -0.095 4.227 4.320 0.004 0.000 0.217 361 A C 2.436 180.008 177.584 -0.020 0.000 1.181 361 A CA 1.677 53.710 52.037 -0.007 0.000 0.623 361 A CB -1.191 17.828 19.000 0.032 0.000 0.818 361 A HN 0.433 nan 8.150 nan 0.000 0.443 362 G N -0.688 108.102 108.800 -0.016 0.000 2.408 362 G HA2 -0.075 3.888 3.960 0.004 0.000 0.217 362 G HA3 -0.075 3.888 3.960 0.004 0.000 0.217 362 G C 1.485 176.312 174.900 -0.122 0.000 1.150 362 G CA 1.120 46.212 45.100 -0.014 0.000 0.776 362 G HN 0.299 nan 8.290 nan 0.000 0.542 363 V N 1.158 120.916 119.914 -0.259 0.000 2.343 363 V HA -0.149 3.973 4.120 0.004 0.000 0.247 363 V C 2.967 178.987 176.094 -0.124 0.000 1.051 363 V CA 1.702 63.850 62.300 -0.253 0.000 1.036 363 V CB -0.356 31.244 31.823 -0.372 0.000 0.654 363 V HN 0.249 nan 8.190 nan 0.000 0.451 364 R N -0.151 120.293 120.500 -0.095 0.000 2.152 364 R HA 0.004 4.347 4.340 0.004 0.000 0.232 364 R C 1.975 178.247 176.300 -0.046 0.000 1.117 364 R CA 1.333 57.399 56.100 -0.056 0.000 0.981 364 R CB -0.799 29.477 30.300 -0.040 0.000 0.870 364 R HN 0.492 nan 8.270 nan 0.000 0.451 365 I N -0.583 119.962 120.570 -0.042 0.000 2.480 365 I HA -0.020 4.152 4.170 0.004 0.000 0.251 365 I C 2.297 178.394 176.117 -0.034 0.000 1.124 365 I CA 1.140 62.423 61.300 -0.028 0.000 1.444 365 I CB -0.499 37.500 38.000 -0.003 0.000 1.098 365 I HN 0.158 nan 8.210 nan 0.000 0.428 366 G N 0.663 109.436 108.800 -0.046 0.000 2.448 366 G HA2 -0.045 3.918 3.960 0.004 0.000 0.218 366 G HA3 -0.045 3.918 3.960 0.004 0.000 0.218 366 G C 0.831 175.713 174.900 -0.029 0.000 1.135 366 G CA 0.452 45.526 45.100 -0.042 0.000 0.784 366 G HN 0.235 nan 8.290 nan 0.000 0.543 367 V N 1.496 121.380 119.914 -0.049 0.000 2.320 367 V HA 0.221 4.343 4.120 0.004 0.000 0.257 367 V C -1.718 174.353 176.094 -0.038 0.000 0.996 367 V CA -1.116 61.143 62.300 -0.069 0.000 0.928 367 V CB 1.602 33.374 31.823 -0.086 0.000 1.169 367 V HN 0.004 nan 8.190 nan 0.000 0.475 368 P HA -0.170 nan 4.420 nan 0.000 0.220 368 P C 1.475 178.752 177.300 -0.039 0.000 1.148 368 P CA 1.073 64.148 63.100 -0.041 0.000 0.803 368 P CB 0.282 31.946 31.700 -0.060 0.000 0.782 369 Q N -0.667 119.118 119.800 -0.025 0.000 2.403 369 Q HA 0.157 4.499 4.340 0.004 0.000 0.203 369 Q C 0.528 176.509 176.000 -0.031 0.000 0.932 369 Q CA 0.089 55.875 55.803 -0.028 0.000 0.945 369 Q CB -0.372 28.358 28.738 -0.014 0.000 1.045 369 Q HN 0.021 nan 8.270 nan 0.000 0.511 370 A N 2.169 124.971 122.820 -0.031 0.000 2.440 370 A HA 0.391 4.713 4.320 0.004 0.000 0.251 370 A C 0.587 178.153 177.584 -0.031 0.000 1.089 370 A CA 0.068 52.085 52.037 -0.033 0.000 0.779 370 A CB 0.348 19.333 19.000 -0.024 0.000 1.022 370 A HN 0.535 nan 8.150 nan 0.000 0.492 371 S N 1.873 117.551 115.700 -0.035 0.000 2.634 371 S HA 0.078 4.551 4.470 0.004 0.000 0.254 371 S C 0.419 175.009 174.600 -0.016 0.000 1.299 371 S CA 0.469 58.652 58.200 -0.028 0.000 0.974 371 S CB 0.143 63.323 63.200 -0.033 0.000 1.001 371 S HN 0.625 nan 8.310 nan 0.000 0.584 372 D N -0.073 120.322 120.400 -0.008 0.000 2.144 372 D HA -0.028 4.615 4.640 0.004 0.000 0.200 372 D C 1.738 178.047 176.300 0.016 0.000 0.978 372 D CA 0.653 54.656 54.000 0.004 0.000 0.833 372 D CB -0.445 40.359 40.800 0.006 0.000 0.961 372 D HN 0.343 nan 8.370 nan 0.000 0.470 373 L N 0.781 122.011 121.223 0.011 0.000 2.017 373 L HA -0.042 4.300 4.340 0.004 0.000 0.208 373 L C 2.070 178.965 176.870 0.041 0.000 1.073 373 L CA 1.677 56.532 54.840 0.026 0.000 0.745 373 L CB -0.948 41.117 42.059 0.010 0.000 0.894 373 L HN 0.004 nan 8.230 nan 0.000 0.432 374 A N -0.776 122.051 122.820 0.010 0.000 1.902 374 A HA -0.077 4.245 4.320 0.004 0.000 0.217 374 A C 2.421 180.039 177.584 0.057 0.000 1.181 374 A CA 1.706 53.753 52.037 0.016 0.000 0.623 374 A CB -1.075 17.899 19.000 -0.043 0.000 0.818 374 A HN 0.536 nan 8.150 nan 0.000 0.443 375 A N -0.262 122.577 122.820 0.031 0.000 1.930 375 A HA -0.122 4.201 4.320 0.004 0.000 0.217 375 A C 1.954 179.571 177.584 0.055 0.000 1.175 375 A CA 2.047 54.099 52.037 0.025 0.000 0.627 375 A CB -0.425 18.573 19.000 -0.003 0.000 0.815 375 A HN 0.590 nan 8.150 nan 0.000 0.443 376 E N 0.333 120.576 120.200 0.072 0.000 2.072 376 E HA -0.039 4.314 4.350 0.004 0.000 0.191 376 E C 1.997 178.679 176.600 0.136 0.000 0.985 376 E CA 1.518 57.980 56.400 0.104 0.000 0.801 376 E CB -0.453 29.302 29.700 0.092 0.000 0.750 376 E HN 0.447 nan 8.360 nan 0.000 0.452 377 A N 0.266 123.175 122.820 0.148 0.000 1.908 377 A HA -0.188 4.134 4.320 0.004 0.000 0.218 377 A C 2.501 180.117 177.584 0.053 0.000 1.181 377 A CA 1.843 53.985 52.037 0.174 0.000 0.627 377 A CB -0.960 18.262 19.000 0.369 0.000 0.818 377 A HN 0.218 nan 8.150 nan 0.000 0.445 378 V N -0.489 119.477 119.914 0.087 0.000 2.287 378 V HA -0.250 3.873 4.120 0.004 0.000 0.248 378 V C 2.571 178.809 176.094 0.239 0.000 1.053 378 V CA 2.075 64.410 62.300 0.059 0.000 1.027 378 V CB -0.844 31.030 31.823 0.084 0.000 0.646 378 V HN 0.380 nan 8.190 nan 0.000 0.447 379 V N -0.289 119.751 119.914 0.211 0.000 2.343 379 V HA -0.239 3.883 4.120 0.004 0.000 0.247 379 V C 2.292 178.629 176.094 0.404 0.000 1.051 379 V CA 1.855 64.367 62.300 0.353 0.000 1.036 379 V CB -0.490 31.491 31.823 0.263 0.000 0.654 379 V HN 0.435 nan 8.190 nan 0.000 0.451 380 L N -0.705 120.734 121.223 0.360 0.000 2.027 380 L HA -0.201 4.141 4.340 0.004 0.000 0.206 380 L C 2.558 179.679 176.870 0.419 0.000 1.074 380 L CA 2.133 57.270 54.840 0.495 0.000 0.745 380 L CB -0.853 41.385 42.059 0.299 0.000 0.898 380 L HN 0.418 nan 8.230 nan 0.000 0.433 381 H N -1.192 117.905 119.070 0.045 0.000 2.457 381 H HA -0.154 4.403 4.556 0.003 0.000 0.294 381 H C 1.621 176.830 175.328 -0.197 0.000 1.064 381 H CA 1.632 57.569 56.048 -0.185 0.000 1.330 381 H CB 0.164 29.556 29.762 -0.616 0.000 1.395 381 H HN 0.254 nan 8.280 nan 0.000 0.541 382 Y N -0.886 119.477 120.300 0.105 0.000 2.481 382 Y HA 0.156 4.709 4.550 0.005 0.000 0.258 382 Y C 0.879 176.724 175.900 -0.091 0.000 1.103 382 Y CA 0.166 58.315 58.100 0.083 0.000 1.287 382 Y CB 0.385 39.028 38.460 0.305 0.000 1.108 382 Y HN -0.034 nan 8.280 nan 0.000 0.529 383 T N 1.505 116.016 114.554 -0.072 0.000 2.930 383 T HA -0.028 4.324 4.350 0.004 0.000 0.306 383 T C -0.328 174.033 174.700 -0.566 0.000 1.045 383 T CA -0.143 61.636 62.100 -0.535 0.000 1.134 383 T CB 0.355 68.519 68.868 -1.173 0.000 0.961 383 T HN 0.070 nan 8.240 nan 0.000 0.545 384 D N 1.493 121.620 120.400 -0.454 0.000 2.347 384 D HA 0.130 4.773 4.640 0.004 0.000 0.235 384 D C -0.130 175.968 176.300 -0.337 0.000 1.149 384 D CA -0.868 52.979 54.000 -0.255 0.000 0.850 384 D CB 0.448 41.244 40.800 -0.006 0.000 1.061 384 D HN 0.585 nan 8.370 nan 0.000 0.487 385 W N 3.229 124.500 121.300 -0.049 0.000 3.077 385 W HA 0.154 4.815 4.660 0.002 0.000 0.245 385 W C 1.787 178.248 176.519 -0.098 0.000 1.316 385 W CA -0.275 57.036 57.345 -0.056 0.000 1.537 385 W CB -0.050 29.379 29.460 -0.052 0.000 1.131 385 W HN 0.410 nan 8.180 nan 0.000 0.695 386 L N -1.162 120.033 121.223 -0.046 0.000 2.162 386 L HA -0.039 4.303 4.340 0.004 0.000 0.205 386 L C 0.297 176.891 176.870 -0.460 0.000 1.086 386 L CA 1.150 55.816 54.840 -0.289 0.000 0.778 386 L CB -0.251 41.537 42.059 -0.452 0.000 0.928 386 L HN 0.022 nan 8.230 nan 0.000 0.446 387 H N -1.336 117.719 119.070 -0.025 0.000 2.379 387 H HA 0.156 4.713 4.556 0.003 0.000 0.229 387 H C -1.866 173.380 175.328 -0.136 0.000 1.423 387 H CA -1.327 54.670 56.048 -0.084 0.000 1.375 387 H CB 0.385 30.058 29.762 -0.148 0.000 1.592 387 H HN -0.008 nan 8.280 nan 0.000 0.507 388 P HA -0.108 nan 4.420 nan 0.000 0.234 388 P C 0.514 177.705 177.300 -0.181 0.000 1.167 388 P CA 1.017 63.967 63.100 -0.250 0.000 0.763 388 P CB 0.617 32.154 31.700 -0.271 0.000 0.835 389 E N -0.756 119.385 120.200 -0.097 0.000 2.583 389 E HA 0.045 4.397 4.350 0.004 0.000 0.213 389 E C 0.155 176.697 176.600 -0.097 0.000 0.989 389 E CA -0.175 56.174 56.400 -0.085 0.000 0.991 389 E CB 0.326 29.998 29.700 -0.046 0.000 1.040 389 E HN 0.300 nan 8.360 nan 0.000 0.481 390 D N 3.186 123.517 120.400 -0.114 0.000 2.358 390 D HA 0.009 4.651 4.640 0.004 0.000 0.258 390 D C -1.426 174.790 176.300 -0.140 0.000 1.223 390 D CA -1.630 52.272 54.000 -0.164 0.000 0.886 390 D CB 1.615 42.234 40.800 -0.301 0.000 1.120 390 D HN -0.090 nan 8.370 nan 0.000 0.482 391 P HA -0.116 nan 4.420 nan 0.000 0.220 391 P C 1.253 178.487 177.300 -0.110 0.000 1.148 391 P CA 0.872 63.897 63.100 -0.125 0.000 0.803 391 P CB 0.243 31.864 31.700 -0.131 0.000 0.782 392 T N -1.185 113.313 114.554 -0.092 0.000 2.770 392 T HA -0.125 4.228 4.350 0.004 0.000 0.263 392 T C 1.737 176.491 174.700 0.091 0.000 1.039 392 T CA 1.146 63.233 62.100 -0.022 0.000 1.142 392 T CB -0.969 67.894 68.868 -0.008 0.000 0.868 392 T HN 0.351 nan 8.240 nan 0.000 0.435 393 H N 0.644 119.664 119.070 -0.083 0.000 2.319 393 H HA 0.003 4.562 4.556 0.005 0.000 0.299 393 H C 2.343 177.592 175.328 -0.130 0.000 1.092 393 H CA 1.040 57.038 56.048 -0.084 0.000 1.302 393 H CB -0.186 29.516 29.762 -0.100 0.000 1.373 393 H HN 0.203 nan 8.280 nan 0.000 0.497 394 L N 0.403 121.582 121.223 -0.073 0.000 2.012 394 L HA -0.235 4.107 4.340 0.004 0.000 0.210 394 L C 2.857 179.738 176.870 0.018 0.000 1.073 394 L CA 1.108 55.809 54.840 -0.232 0.000 0.748 394 L CB -0.457 41.470 42.059 -0.219 0.000 0.891 394 L HN 0.267 nan 8.230 nan 0.000 0.431 395 R N 0.570 121.099 120.500 0.049 0.000 2.094 395 R HA -0.214 4.128 4.340 0.004 0.000 0.239 395 R C 1.723 178.171 176.300 0.247 0.000 1.137 395 R CA 2.372 58.571 56.100 0.165 0.000 0.943 395 R CB -0.488 29.772 30.300 -0.067 0.000 0.850 395 R HN 0.360 nan 8.270 nan 0.000 0.433 396 D N -0.009 120.493 120.400 0.169 0.000 2.264 396 D HA -0.062 4.580 4.640 0.004 0.000 0.208 396 D C 1.601 178.018 176.300 0.195 0.000 0.966 396 D CA 1.208 55.325 54.000 0.195 0.000 0.864 396 D CB -0.048 40.838 40.800 0.144 0.000 0.933 396 D HN 0.402 nan 8.370 nan 0.000 0.499 397 A N 0.446 123.365 122.820 0.165 0.000 1.898 397 A HA -0.082 4.241 4.320 0.004 0.000 0.214 397 A C 2.083 179.856 177.584 0.315 0.000 1.183 397 A CA 0.953 53.134 52.037 0.241 0.000 0.622 397 A CB -0.398 18.656 19.000 0.091 0.000 0.824 397 A HN 0.075 nan 8.150 nan 0.000 0.444 398 M N 0.488 120.343 119.600 0.425 0.000 2.088 398 M HA -0.173 4.309 4.480 0.004 0.000 0.256 398 M C 2.355 178.723 176.300 0.112 0.000 1.071 398 M CA 2.280 57.767 55.300 0.312 0.000 1.097 398 M CB -0.800 32.019 32.600 0.365 0.000 1.315 398 M HN 0.466 nan 8.290 nan 0.000 0.406 399 S N -0.528 115.265 115.700 0.156 0.000 2.353 399 S HA -0.144 4.328 4.470 0.004 0.000 0.222 399 S C 2.066 176.747 174.600 0.135 0.000 1.035 399 S CA 2.000 60.294 58.200 0.157 0.000 1.025 399 S CB -0.752 62.609 63.200 0.269 0.000 0.902 399 S HN 0.625 nan 8.310 nan 0.000 0.440 400 A N 0.943 123.867 122.820 0.173 0.000 1.908 400 A HA -0.031 4.291 4.320 0.004 0.000 0.218 400 A C 2.407 180.043 177.584 0.087 0.000 1.181 400 A CA 1.936 54.095 52.037 0.204 0.000 0.627 400 A CB -1.274 17.941 19.000 0.358 0.000 0.818 400 A HN 0.487 nan 8.150 nan 0.000 0.445 401 V N -0.419 119.408 119.914 -0.145 0.000 2.252 401 V HA -0.287 3.835 4.120 0.004 0.000 0.249 401 V C 2.583 178.583 176.094 -0.156 0.000 1.056 401 V CA 2.276 64.399 62.300 -0.294 0.000 1.022 401 V CB -0.848 30.788 31.823 -0.311 0.000 0.641 401 V HN 0.392 nan 8.190 nan 0.000 0.445 402 V N 0.530 120.383 119.914 -0.101 0.000 2.358 402 V HA -0.149 3.973 4.120 0.004 0.000 0.246 402 V C 2.555 178.535 176.094 -0.190 0.000 1.047 402 V CA 2.131 64.358 62.300 -0.122 0.000 1.035 402 V CB -1.258 30.541 31.823 -0.039 0.000 0.658 402 V HN 0.627 nan 8.190 nan 0.000 0.452 403 G N -0.520 108.236 108.800 -0.074 0.000 2.394 403 G HA2 -0.209 3.754 3.960 0.004 0.000 0.215 403 G HA3 -0.209 3.754 3.960 0.004 0.000 0.215 403 G C 1.223 176.046 174.900 -0.127 0.000 1.165 403 G CA 0.863 45.932 45.100 -0.053 0.000 0.784 403 G HN 0.484 nan 8.290 nan 0.000 0.535 404 D N -0.261 120.083 120.400 -0.093 0.000 2.144 404 D HA -0.097 4.546 4.640 0.004 0.000 0.199 404 D C 2.069 178.062 176.300 -0.512 0.000 0.984 404 D CA 1.288 55.204 54.000 -0.139 0.000 0.834 404 D CB -0.270 40.620 40.800 0.150 0.000 0.955 404 D HN 0.485 nan 8.370 nan 0.000 0.465 405 H N 0.115 118.646 119.070 -0.899 0.000 2.448 405 H HA 0.143 4.701 4.556 0.003 0.000 0.292 405 H C 1.380 176.291 175.328 -0.694 0.000 1.035 405 H CA 1.170 56.462 56.048 -1.259 0.000 1.349 405 H CB 0.149 28.978 29.762 -1.555 0.000 1.425 405 H HN -0.039 nan 8.280 nan 0.000 0.539 406 N N -0.575 117.646 118.700 -0.797 0.000 2.409 406 N HA 0.022 4.764 4.740 0.004 0.000 0.174 406 N C 0.941 176.193 175.510 -0.431 0.000 1.037 406 N CA 1.066 53.603 53.050 -0.856 0.000 0.898 406 N CB 1.270 38.726 38.487 -1.718 0.000 1.010 406 N HN 0.271 nan 8.380 nan 0.000 0.445 407 V N -0.571 119.148 119.914 -0.325 0.000 3.442 407 V HA 0.054 4.177 4.120 0.004 0.000 0.205 407 V C 2.143 178.187 176.094 -0.084 0.000 1.320 407 V CA 0.136 62.379 62.300 -0.096 0.000 1.306 407 V CB -0.134 31.697 31.823 0.014 0.000 1.267 407 V HN -0.196 nan 8.190 nan 0.000 0.538 408 V N 0.313 120.179 119.914 -0.081 0.000 2.287 408 V HA -0.318 3.804 4.120 0.004 0.000 0.248 408 V C 2.472 178.524 176.094 -0.071 0.000 1.053 408 V CA 2.750 65.018 62.300 -0.054 0.000 1.027 408 V CB -0.750 31.071 31.823 -0.005 0.000 0.646 408 V HN 0.698 nan 8.190 nan 0.000 0.447 409 c N -0.744 117.804 118.600 -0.086 0.000 2.467 409 c HA 0.048 4.620 4.570 0.004 0.000 0.279 409 c C 0.431 174.479 174.090 -0.069 0.000 1.347 409 c CA 0.616 56.926 56.329 -0.033 0.000 1.748 409 c CB -1.641 40.900 42.510 0.051 0.000 1.977 409 c HN 0.475 nan 8.230 nan 0.000 0.501 410 P HA -0.039 nan 4.420 nan 0.000 0.217 410 P C 1.774 179.002 177.300 -0.120 0.000 1.151 410 P CA 1.178 64.194 63.100 -0.139 0.000 0.828 410 P CB -0.130 31.448 31.700 -0.204 0.000 0.788 411 V N 0.478 120.325 119.914 -0.112 0.000 2.295 411 V HA -0.282 3.840 4.120 0.004 0.000 0.246 411 V C 2.476 178.471 176.094 -0.164 0.000 1.049 411 V CA 2.304 64.525 62.300 -0.131 0.000 1.024 411 V CB -1.726 30.018 31.823 -0.132 0.000 0.648 411 V HN 0.098 nan 8.190 nan 0.000 0.447 412 A N 0.481 123.219 122.820 -0.138 0.000 1.917 412 A HA -0.334 3.988 4.320 0.004 0.000 0.219 412 A C 2.213 179.748 177.584 -0.082 0.000 1.182 412 A CA 2.377 54.338 52.037 -0.126 0.000 0.633 412 A CB -0.500 18.477 19.000 -0.039 0.000 0.819 412 A HN 0.778 nan 8.150 nan 0.000 0.448 413 Q N -1.171 118.598 119.800 -0.051 0.000 2.096 413 Q HA -0.039 4.303 4.340 0.004 0.000 0.197 413 Q C 1.982 177.944 176.000 -0.063 0.000 0.964 413 Q CA 1.117 56.902 55.803 -0.030 0.000 0.838 413 Q CB -0.617 28.113 28.738 -0.013 0.000 0.906 413 Q HN 0.395 nan 8.270 nan 0.000 0.444 414 L N 1.875 123.036 121.223 -0.103 0.000 2.030 414 L HA -0.301 4.041 4.340 0.004 0.000 0.222 414 L C 2.471 179.263 176.870 -0.131 0.000 1.082 414 L CA 2.454 57.218 54.840 -0.128 0.000 0.785 414 L CB -1.123 40.850 42.059 -0.142 0.000 0.895 414 L HN 0.334 nan 8.230 nan 0.000 0.439 415 A N -1.031 121.682 122.820 -0.178 0.000 1.865 415 A HA -0.133 4.189 4.320 0.004 0.000 0.217 415 A C 2.376 179.968 177.584 0.013 0.000 1.191 415 A CA 1.974 53.875 52.037 -0.226 0.000 0.623 415 A CB -1.631 16.974 19.000 -0.658 0.000 0.826 415 A HN 0.557 nan 8.150 nan 0.000 0.444 416 G N -0.638 108.223 108.800 0.101 0.000 2.446 416 G HA2 -0.241 3.722 3.960 0.004 0.000 0.217 416 G HA3 -0.241 3.722 3.960 0.004 0.000 0.217 416 G C 1.698 176.669 174.900 0.120 0.000 1.168 416 G CA 0.952 46.187 45.100 0.225 0.000 0.771 416 G HN 0.440 nan 8.290 nan 0.000 0.551 417 R N 0.296 120.830 120.500 0.056 0.000 2.066 417 R HA 0.101 4.443 4.340 0.004 0.000 0.232 417 R C 2.710 179.048 176.300 0.064 0.000 1.131 417 R CA 0.656 56.790 56.100 0.057 0.000 0.955 417 R CB -1.217 29.106 30.300 0.037 0.000 0.851 417 R HN 0.416 nan 8.270 nan 0.000 0.432 418 L N 0.632 121.837 121.223 -0.031 0.000 2.079 418 L HA -0.136 4.206 4.340 0.004 0.000 0.210 418 L C 2.656 179.562 176.870 0.059 0.000 1.081 418 L CA 1.550 56.347 54.840 -0.071 0.000 0.752 418 L CB -0.748 41.177 42.059 -0.223 0.000 0.896 418 L HN 0.149 nan 8.230 nan 0.000 0.433 419 A N -0.012 122.857 122.820 0.082 0.000 1.968 419 A HA 0.009 4.331 4.320 0.004 0.000 0.217 419 A C 2.480 180.112 177.584 0.081 0.000 1.169 419 A CA 1.292 53.387 52.037 0.097 0.000 0.638 419 A CB -0.556 18.537 19.000 0.155 0.000 0.812 419 A HN 0.370 nan 8.150 nan 0.000 0.446 420 A N -1.270 121.603 122.820 0.089 0.000 2.172 420 A HA -0.028 4.294 4.320 0.004 0.000 0.216 420 A C 1.647 179.281 177.584 0.084 0.000 1.154 420 A CA 1.305 53.386 52.037 0.073 0.000 0.701 420 A CB -0.220 18.823 19.000 0.071 0.000 0.789 420 A HN 0.592 nan 8.150 nan 0.000 0.465 421 Q N -1.984 117.891 119.800 0.126 0.000 2.141 421 Q HA 0.377 4.719 4.340 0.004 0.000 0.248 421 Q C 0.717 176.813 176.000 0.160 0.000 0.834 421 Q CA 0.318 56.214 55.803 0.154 0.000 1.096 421 Q CB 0.758 29.648 28.738 0.253 0.000 1.189 421 Q HN 0.739 nan 8.270 nan 0.000 0.471 422 G N 0.042 108.909 108.800 0.112 0.000 2.176 422 G HA2 -0.279 3.683 3.960 0.004 0.000 0.232 422 G HA3 -0.279 3.683 3.960 0.004 0.000 0.232 422 G C 0.326 175.281 174.900 0.092 0.000 0.986 422 G CA -0.122 45.029 45.100 0.084 0.000 0.643 422 G HN 0.529 nan 8.290 nan 0.000 0.522 423 A N -0.092 122.799 122.820 0.117 0.000 2.386 423 A HA 0.693 5.015 4.320 0.004 0.000 0.248 423 A C 0.689 178.293 177.584 0.035 0.000 1.082 423 A CA 0.450 52.537 52.037 0.084 0.000 0.789 423 A CB 0.281 19.313 19.000 0.053 0.000 1.025 423 A HN 0.625 nan 8.150 nan 0.000 0.490 424 R N 1.264 121.779 120.500 0.025 0.000 2.196 424 R HA 0.478 4.821 4.340 0.004 0.000 0.340 424 R C -1.278 174.993 176.300 -0.049 0.000 1.043 424 R CA -0.095 55.984 56.100 -0.034 0.000 0.883 424 R CB 0.396 30.707 30.300 0.018 0.000 1.078 424 R HN 0.502 nan 8.270 nan 0.000 0.462 425 V N 5.331 125.155 119.914 -0.151 0.000 2.555 425 V HA 0.420 4.543 4.120 0.004 0.000 0.302 425 V C -0.944 174.974 176.094 -0.292 0.000 1.038 425 V CA -0.818 61.419 62.300 -0.105 0.000 0.887 425 V CB 1.582 33.411 31.823 0.010 0.000 0.991 425 V HN 0.624 nan 8.190 nan 0.000 0.434 426 Y N 1.791 122.055 120.300 -0.061 0.000 2.409 426 Y HA 0.788 5.339 4.550 0.002 0.000 0.343 426 Y C 0.263 176.263 175.900 0.166 0.000 0.973 426 Y CA -0.578 57.491 58.100 -0.052 0.000 1.064 426 Y CB 2.283 40.346 38.460 -0.662 0.000 1.207 426 Y HN 0.773 nan 8.280 nan 0.000 0.452 427 A N 3.079 126.313 122.820 0.690 0.000 2.386 427 A HA 0.841 5.163 4.320 0.004 0.000 0.311 427 A C -1.930 176.029 177.584 0.626 0.000 1.068 427 A CA -0.714 51.579 52.037 0.427 0.000 0.743 427 A CB 0.904 19.993 19.000 0.147 0.000 1.258 427 A HN 0.741 nan 8.150 nan 0.000 0.429 428 Y N -0.195 120.334 120.300 0.382 0.000 2.553 428 Y HA 0.784 5.335 4.550 0.001 0.000 0.347 428 Y C -1.110 174.955 175.900 0.276 0.000 1.019 428 Y CA -1.561 56.721 58.100 0.303 0.000 1.032 428 Y CB 1.344 39.989 38.460 0.308 0.000 1.284 428 Y HN 0.676 nan 8.280 nan 0.000 0.466 429 I N 4.124 124.985 120.570 0.485 0.000 2.406 429 I HA 0.449 4.621 4.170 0.004 0.000 0.290 429 I C -1.667 174.776 176.117 0.543 0.000 0.999 429 I CA -1.019 60.533 61.300 0.420 0.000 1.124 429 I CB 0.850 39.033 38.000 0.306 0.000 1.289 429 I HN 0.753 nan 8.210 nan 0.000 0.441 430 F N 7.468 127.709 119.950 0.485 0.000 2.411 430 F HA 0.386 4.916 4.527 0.004 0.000 0.355 430 F C 0.562 176.519 175.800 0.262 0.000 1.117 430 F CA 0.081 58.307 58.000 0.376 0.000 1.139 430 F CB 0.871 40.116 39.000 0.408 0.000 1.120 430 F HN 0.557 nan 8.300 nan 0.000 0.493 431 E N 2.963 122.992 120.200 -0.285 0.000 2.601 431 E HA -0.023 4.329 4.350 0.004 0.000 0.219 431 E C -0.760 175.705 176.600 -0.225 0.000 0.964 431 E CA -0.171 56.156 56.400 -0.121 0.000 1.050 431 E CB 0.312 29.980 29.700 -0.054 0.000 1.068 431 E HN 0.559 nan 8.360 nan 0.000 0.496 432 H N 1.583 120.264 119.070 -0.648 0.000 2.562 432 H HA 0.237 4.794 4.556 0.003 0.000 0.314 432 H C -0.358 174.914 175.328 -0.093 0.000 1.079 432 H CA -0.385 55.375 56.048 -0.480 0.000 1.349 432 H CB 0.573 29.836 29.762 -0.832 0.000 1.432 432 H HN -0.157 nan 8.280 nan 0.000 0.479 433 R N 4.109 124.236 120.500 -0.621 0.000 2.234 433 R HA 0.483 4.825 4.340 0.004 0.000 0.324 433 R C -0.566 175.475 176.300 -0.431 0.000 1.054 433 R CA -0.595 55.320 56.100 -0.309 0.000 0.912 433 R CB 0.408 30.609 30.300 -0.165 0.000 1.030 433 R HN 0.820 nan 8.270 nan 0.000 0.455 434 A N 2.945 125.837 122.820 0.120 0.000 2.540 434 A HA 0.000 4.323 4.320 0.004 0.000 0.239 434 A C 1.314 179.007 177.584 0.180 0.000 1.061 434 A CA 0.518 52.825 52.037 0.450 0.000 0.758 434 A CB 0.351 19.696 19.000 0.574 0.000 0.991 434 A HN 1.012 nan 8.150 nan 0.000 0.502 435 S N 1.268 117.116 115.700 0.246 0.000 2.474 435 S HA -0.138 4.334 4.470 0.004 0.000 0.235 435 S C 1.318 175.905 174.600 -0.021 0.000 0.997 435 S CA 1.582 59.838 58.200 0.093 0.000 0.949 435 S CB -0.707 62.572 63.200 0.131 0.000 0.766 435 S HN 1.295 nan 8.310 nan 0.000 0.517 436 T N -0.839 113.662 114.554 -0.088 0.000 3.122 436 T HA 0.363 4.716 4.350 0.004 0.000 0.250 436 T C 0.332 174.948 174.700 -0.140 0.000 1.067 436 T CA -0.583 61.394 62.100 -0.205 0.000 0.966 436 T CB -0.341 68.251 68.868 -0.460 0.000 1.002 436 T HN 0.231 nan 8.240 nan 0.000 0.542 437 L N 3.923 125.103 121.223 -0.073 0.000 2.426 437 L HA 0.364 4.707 4.340 0.004 0.000 0.271 437 L C 1.400 178.199 176.870 -0.117 0.000 1.169 437 L CA 0.632 55.416 54.840 -0.094 0.000 0.836 437 L CB 1.018 43.031 42.059 -0.076 0.000 1.112 437 L HN 0.435 nan 8.230 nan 0.000 0.465 438 T N -0.778 113.661 114.554 -0.192 0.000 2.990 438 T HA 0.107 4.459 4.350 0.004 0.000 0.250 438 T C 0.481 175.159 174.700 -0.036 0.000 1.041 438 T CA -0.450 61.548 62.100 -0.171 0.000 1.010 438 T CB -0.333 68.310 68.868 -0.375 0.000 1.003 438 T HN 0.401 nan 8.240 nan 0.000 0.499 439 W N 3.589 124.887 121.300 -0.004 0.000 2.089 439 W HA 0.357 5.020 4.660 0.004 0.000 0.355 439 W C -1.949 174.480 176.519 -0.151 0.000 1.305 439 W CA -1.736 55.597 57.345 -0.020 0.000 1.281 439 W CB 0.007 29.362 29.460 -0.176 0.000 1.183 439 W HN 0.017 nan 8.180 nan 0.000 0.604 440 P HA 0.057 nan 4.420 nan 0.000 0.274 440 P C 0.495 177.713 177.300 -0.137 0.000 1.256 440 P CA -0.112 62.939 63.100 -0.082 0.000 0.795 440 P CB 0.793 32.431 31.700 -0.104 0.000 1.038 441 L N 0.000 121.209 121.223 -0.023 0.000 2.079 441 L HA -0.147 4.195 4.340 0.004 0.000 0.210 441 L C 2.631 179.533 176.870 0.053 0.000 1.081 441 L CA 1.560 56.411 54.840 0.018 0.000 0.752 441 L CB -0.931 41.172 42.059 0.072 0.000 0.896 441 L HN 0.599 nan 8.230 nan 0.000 0.433 442 W N -0.584 120.767 121.300 0.084 0.000 2.364 442 W HA -0.202 4.460 4.660 0.002 0.000 0.281 442 W C 1.769 178.352 176.519 0.108 0.000 1.219 442 W CA 0.632 58.034 57.345 0.095 0.000 1.220 442 W CB -0.829 28.693 29.460 0.103 0.000 1.127 442 W HN 0.184 nan 8.180 nan 0.000 0.556 443 M N 1.370 120.693 119.600 -0.461 0.000 2.630 443 M HA 0.095 4.577 4.480 0.004 0.000 0.254 443 M C 1.796 178.029 176.300 -0.113 0.000 1.092 443 M CA 1.600 56.621 55.300 -0.464 0.000 1.087 443 M CB -0.581 31.571 32.600 -0.747 0.000 1.453 443 M HN 0.247 nan 8.290 nan 0.000 0.509 444 G N 0.371 109.153 108.800 -0.029 0.000 2.565 444 G HA2 -0.291 3.671 3.960 0.004 0.000 0.295 444 G HA3 -0.291 3.671 3.960 0.004 0.000 0.295 444 G C -0.159 174.758 174.900 0.028 0.000 1.165 444 G CA -0.151 44.972 45.100 0.037 0.000 0.977 444 G HN 0.217 nan 8.290 nan 0.000 0.546 445 V N 3.638 123.609 119.914 0.095 0.000 2.257 445 V HA 0.472 4.594 4.120 0.004 0.000 0.269 445 V C -1.900 174.323 176.094 0.214 0.000 1.040 445 V CA -0.842 61.563 62.300 0.174 0.000 0.813 445 V CB 1.245 33.227 31.823 0.265 0.000 1.065 445 V HN 0.495 nan 8.190 nan 0.000 0.457 446 P HA 0.162 nan 4.420 nan 0.000 0.274 446 P C -0.133 177.381 177.300 0.358 0.000 1.237 446 P CA -0.433 62.768 63.100 0.167 0.000 0.793 446 P CB 0.352 32.008 31.700 -0.074 0.000 0.977 447 H N 1.120 120.290 119.070 0.168 0.000 3.195 447 H HA 0.147 4.705 4.556 0.003 0.000 0.302 447 H C 1.635 176.970 175.328 0.010 0.000 0.950 447 H CA 2.439 58.567 56.048 0.133 0.000 1.398 447 H CB -0.682 29.173 29.762 0.154 0.000 1.377 447 H HN 0.746 nan 8.280 nan 0.000 0.572 448 G N 3.454 112.045 108.800 -0.349 0.000 2.217 448 G HA2 -0.326 3.636 3.960 0.004 0.000 0.246 448 G HA3 -0.326 3.636 3.960 0.004 0.000 0.246 448 G C 0.653 175.437 174.900 -0.194 0.000 0.990 448 G CA 0.411 45.272 45.100 -0.399 0.000 0.627 448 G HN 0.652 nan 8.290 nan 0.000 0.522 449 Y N 1.459 121.854 120.300 0.158 0.000 2.470 449 Y HA 0.263 4.814 4.550 0.003 0.000 0.284 449 Y C 2.268 178.300 175.900 0.220 0.000 1.188 449 Y CA 0.894 59.153 58.100 0.263 0.000 1.269 449 Y CB 0.461 39.108 38.460 0.311 0.000 1.094 449 Y HN 0.499 nan 8.280 nan 0.000 0.518 450 E N 0.026 120.201 120.200 -0.042 0.000 2.364 450 E HA -0.035 4.317 4.350 0.004 0.000 0.196 450 E C 1.590 178.100 176.600 -0.150 0.000 0.990 450 E CA 0.535 56.606 56.400 -0.548 0.000 0.886 450 E CB -0.387 28.452 29.700 -1.436 0.000 0.866 450 E HN 0.524 nan 8.360 nan 0.000 0.493 451 I N 1.756 122.322 120.570 -0.007 0.000 2.118 451 I HA -0.300 3.872 4.170 0.004 0.000 0.241 451 I C 2.681 178.819 176.117 0.035 0.000 1.070 451 I CA 1.878 63.225 61.300 0.077 0.000 1.327 451 I CB -0.517 37.598 38.000 0.191 0.000 1.034 451 I HN 0.143 nan 8.210 nan 0.000 0.405 452 E N 0.565 120.732 120.200 -0.057 0.000 2.172 452 E HA -0.293 4.060 4.350 0.004 0.000 0.213 452 E C 2.035 178.427 176.600 -0.346 0.000 1.051 452 E CA 2.297 58.561 56.400 -0.227 0.000 0.860 452 E CB -0.159 29.408 29.700 -0.222 0.000 0.755 452 E HN 0.439 nan 8.360 nan 0.000 0.462 453 F N -0.326 119.532 119.950 -0.153 0.000 2.219 453 F HA -0.067 4.464 4.527 0.007 0.000 0.294 453 F C 2.162 177.744 175.800 -0.364 0.000 1.086 453 F CA 0.295 58.143 58.000 -0.254 0.000 1.330 453 F CB -0.112 38.804 39.000 -0.140 0.000 1.047 453 F HN 0.064 nan 8.300 nan 0.000 0.495 454 I N -0.682 119.747 120.570 -0.234 0.000 2.264 454 I HA -0.293 3.879 4.170 0.004 0.000 0.248 454 I C 1.983 177.875 176.117 -0.375 0.000 1.111 454 I CA 1.753 62.752 61.300 -0.503 0.000 1.382 454 I CB -1.447 36.114 38.000 -0.731 0.000 1.060 454 I HN 0.094 nan 8.210 nan 0.000 0.418 455 F N 1.122 120.889 119.950 -0.305 0.000 2.802 455 F HA 0.211 4.740 4.527 0.004 0.000 0.300 455 F C 1.880 177.535 175.800 -0.242 0.000 1.168 455 F CA 0.753 58.613 58.000 -0.234 0.000 1.433 455 F CB -0.447 38.403 39.000 -0.249 0.000 1.115 455 F HN 0.299 nan 8.300 nan 0.000 0.582 456 G N 0.180 108.826 108.800 -0.256 0.000 2.176 456 G HA2 -0.320 3.642 3.960 0.004 0.000 0.252 456 G HA3 -0.320 3.642 3.960 0.004 0.000 0.252 456 G C 1.039 175.343 174.900 -0.993 0.000 1.024 456 G CA 0.361 45.179 45.100 -0.469 0.000 0.755 456 G HN 0.335 nan 8.290 nan 0.000 0.507 457 L N 0.432 121.131 121.223 -0.874 0.000 2.079 457 L HA 0.019 4.361 4.340 0.004 0.000 0.210 457 L C 0.345 176.677 176.870 -0.898 0.000 1.081 457 L CA 2.789 57.062 54.840 -0.944 0.000 0.752 457 L CB -0.846 40.901 42.059 -0.521 0.000 0.896 457 L HN 0.225 nan 8.230 nan 0.000 0.433 458 P HA -0.123 nan 4.420 nan 0.000 0.231 458 P C 1.394 178.432 177.300 -0.437 0.000 1.158 458 P CA 0.804 63.307 63.100 -0.996 0.000 0.763 458 P CB 0.057 31.126 31.700 -1.051 0.000 0.805 459 L N -1.260 119.662 121.223 -0.501 0.000 2.478 459 L HA 0.025 4.367 4.340 0.004 0.000 0.223 459 L C 0.949 177.740 176.870 -0.131 0.000 1.140 459 L CA 1.029 55.707 54.840 -0.270 0.000 0.842 459 L CB -0.967 40.958 42.059 -0.224 0.000 0.953 459 L HN -0.067 nan 8.230 nan 0.000 0.452 460 D N 0.815 121.102 120.400 -0.188 0.000 2.344 460 D HA 0.053 4.695 4.640 0.004 0.000 0.253 460 D C -1.408 174.911 176.300 0.031 0.000 1.255 460 D CA -1.881 52.136 54.000 0.028 0.000 0.894 460 D CB 1.388 42.242 40.800 0.089 0.000 1.067 460 D HN 0.031 nan 8.370 nan 0.000 0.492 461 P HA -0.164 nan 4.420 nan 0.000 0.218 461 P C 1.091 178.411 177.300 0.034 0.000 1.148 461 P CA 0.822 63.944 63.100 0.036 0.000 0.822 461 P CB 0.072 31.790 31.700 0.030 0.000 0.784 462 S N -1.130 114.588 115.700 0.031 0.000 2.603 462 S HA 0.021 4.493 4.470 0.004 0.000 0.229 462 S C 1.749 176.350 174.600 0.001 0.000 0.972 462 S CA 0.214 58.422 58.200 0.012 0.000 0.935 462 S CB -1.289 61.916 63.200 0.009 0.000 0.769 462 S HN 0.113 nan 8.310 nan 0.000 0.536 463 L N 0.517 121.756 121.223 0.027 0.000 2.567 463 L HA 0.232 4.574 4.340 0.004 0.000 0.225 463 L C 0.363 177.176 176.870 -0.096 0.000 1.119 463 L CA -0.051 54.789 54.840 0.000 0.000 0.871 463 L CB -0.510 41.624 42.059 0.125 0.000 1.036 463 L HN 0.270 nan 8.230 nan 0.000 0.459 464 N N -1.806 116.874 118.700 -0.033 0.000 2.850 464 N HA -0.218 4.524 4.740 0.004 0.000 0.249 464 N C -0.342 175.107 175.510 -0.103 0.000 1.060 464 N CA 0.760 53.765 53.050 -0.075 0.000 0.825 464 N CB -1.669 36.743 38.487 -0.125 0.000 1.132 464 N HN 0.267 nan 8.380 nan 0.000 0.564 465 Y N 1.484 121.769 120.300 -0.024 0.000 2.357 465 Y HA 0.128 4.680 4.550 0.003 0.000 0.340 465 Y C 1.957 177.878 175.900 0.036 0.000 1.260 465 Y CA 0.453 58.562 58.100 0.016 0.000 1.425 465 Y CB 0.427 38.882 38.460 -0.007 0.000 1.326 465 Y HN 0.069 nan 8.280 nan 0.000 0.580 466 T N -2.391 112.309 114.554 0.244 0.000 2.860 466 T HA 0.034 4.386 4.350 0.004 0.000 0.299 466 T C 1.161 175.943 174.700 0.136 0.000 1.045 466 T CA -0.330 61.861 62.100 0.152 0.000 1.071 466 T CB 0.936 69.885 68.868 0.136 0.000 0.985 466 T HN 0.739 nan 8.240 nan 0.000 0.537 467 T N 1.759 116.363 114.554 0.084 0.000 2.759 467 T HA -0.107 4.245 4.350 0.004 0.000 0.269 467 T C 1.752 176.488 174.700 0.059 0.000 1.042 467 T CA 2.002 64.138 62.100 0.061 0.000 1.140 467 T CB -0.426 68.466 68.868 0.040 0.000 0.864 467 T HN 0.805 nan 8.240 nan 0.000 0.455 468 E N 1.289 121.521 120.200 0.054 0.000 2.110 468 E HA -0.101 4.251 4.350 0.004 0.000 0.193 468 E C 2.191 178.831 176.600 0.067 0.000 0.988 468 E CA 0.983 57.403 56.400 0.032 0.000 0.804 468 E CB -0.240 29.453 29.700 -0.013 0.000 0.745 468 E HN 0.577 nan 8.360 nan 0.000 0.458 469 E N 0.552 120.827 120.200 0.125 0.000 2.118 469 E HA -0.203 4.149 4.350 0.004 0.000 0.195 469 E C 2.162 178.886 176.600 0.207 0.000 0.992 469 E CA 0.748 57.308 56.400 0.267 0.000 0.804 469 E CB -0.100 29.878 29.700 0.463 0.000 0.741 469 E HN 0.127 nan 8.360 nan 0.000 0.458 470 R N 0.725 121.282 120.500 0.094 0.000 2.073 470 R HA -0.163 4.180 4.340 0.004 0.000 0.234 470 R C 2.297 178.605 176.300 0.013 0.000 1.134 470 R CA 1.251 57.354 56.100 0.005 0.000 0.952 470 R CB -0.220 30.080 30.300 -0.001 0.000 0.850 470 R HN 0.134 nan 8.270 nan 0.000 0.433 471 I N 0.156 120.754 120.570 0.046 0.000 2.179 471 I HA -0.285 3.888 4.170 0.004 0.000 0.242 471 I C 2.181 178.341 176.117 0.071 0.000 1.088 471 I CA 1.048 62.371 61.300 0.039 0.000 1.357 471 I CB -0.385 37.638 38.000 0.039 0.000 1.051 471 I HN 0.148 nan 8.210 nan 0.000 0.409 472 F N 1.847 121.755 119.950 -0.069 0.000 2.091 472 F HA -0.333 4.196 4.527 0.002 0.000 0.299 472 F C 2.430 178.208 175.800 -0.036 0.000 1.103 472 F CA 1.533 59.480 58.000 -0.089 0.000 1.228 472 F CB -0.779 38.109 39.000 -0.188 0.000 0.984 472 F HN 0.058 nan 8.300 nan 0.000 0.477 473 A N -0.118 122.620 122.820 -0.136 0.000 1.933 473 A HA -0.232 4.090 4.320 0.004 0.000 0.218 473 A C 2.150 179.591 177.584 -0.237 0.000 1.175 473 A CA 1.727 53.623 52.037 -0.235 0.000 0.628 473 A CB -0.867 18.029 19.000 -0.172 0.000 0.814 473 A HN 0.630 nan 8.150 nan 0.000 0.444 474 Q N -0.868 118.836 119.800 -0.161 0.000 2.135 474 Q HA -0.194 4.148 4.340 0.004 0.000 0.204 474 Q C 2.374 178.264 176.000 -0.184 0.000 0.981 474 Q CA 1.564 57.283 55.803 -0.139 0.000 0.856 474 Q CB -0.189 28.497 28.738 -0.087 0.000 0.902 474 Q HN 0.629 nan 8.270 nan 0.000 0.425 475 R N 0.320 120.688 120.500 -0.220 0.000 2.073 475 R HA -0.109 4.234 4.340 0.004 0.000 0.234 475 R C 2.321 178.334 176.300 -0.478 0.000 1.134 475 R CA 1.148 57.030 56.100 -0.363 0.000 0.952 475 R CB -0.202 29.950 30.300 -0.248 0.000 0.850 475 R HN 0.226 nan 8.270 nan 0.000 0.433 476 L N -0.062 120.972 121.223 -0.315 0.000 2.027 476 L HA -0.190 4.152 4.340 0.004 0.000 0.206 476 L C 2.562 179.401 176.870 -0.051 0.000 1.074 476 L CA 1.328 56.097 54.840 -0.118 0.000 0.745 476 L CB -0.317 41.513 42.059 -0.381 0.000 0.898 476 L HN 0.261 nan 8.230 nan 0.000 0.433 477 M N -0.576 118.918 119.600 -0.176 0.000 2.106 477 M HA -0.258 4.224 4.480 0.004 0.000 0.259 477 M C 2.335 178.626 176.300 -0.015 0.000 1.068 477 M CA 1.797 57.030 55.300 -0.111 0.000 1.100 477 M CB -0.368 32.150 32.600 -0.138 0.000 1.351 477 M HN 0.124 nan 8.290 nan 0.000 0.404 478 K N -0.471 119.878 120.400 -0.084 0.000 2.026 478 K HA -0.173 4.149 4.320 0.004 0.000 0.208 478 K C 1.903 178.544 176.600 0.069 0.000 1.048 478 K CA 1.585 57.836 56.287 -0.061 0.000 0.929 478 K CB -0.340 32.067 32.500 -0.155 0.000 0.713 478 K HN 0.280 nan 8.250 nan 0.000 0.439 479 Y N 0.085 120.501 120.300 0.193 0.000 2.097 479 Y HA -0.251 4.303 4.550 0.006 0.000 0.282 479 Y C 2.350 178.380 175.900 0.216 0.000 1.152 479 Y CA 0.844 59.089 58.100 0.242 0.000 1.136 479 Y CB -0.922 37.817 38.460 0.465 0.000 0.975 479 Y HN 0.235 nan 8.280 nan 0.000 0.498 480 W N 0.667 122.041 121.300 0.123 0.000 2.335 480 W HA -0.249 4.412 4.660 0.002 0.000 0.311 480 W C 2.524 179.044 176.519 0.001 0.000 1.213 480 W CA 2.344 59.700 57.345 0.019 0.000 1.274 480 W CB -0.646 28.760 29.460 -0.090 0.000 1.148 480 W HN 0.247 nan 8.180 nan 0.000 0.498 481 T N -2.183 112.478 114.554 0.179 0.000 2.904 481 T HA -0.136 4.216 4.350 0.004 0.000 0.267 481 T C 1.400 176.129 174.700 0.049 0.000 1.059 481 T CA 1.190 63.327 62.100 0.062 0.000 1.137 481 T CB -0.602 68.278 68.868 0.019 0.000 0.879 481 T HN -0.081 nan 8.240 nan 0.000 0.467 482 N N 0.952 119.699 118.700 0.078 0.000 2.104 482 N HA -0.017 4.725 4.740 0.004 0.000 0.190 482 N C 1.305 176.819 175.510 0.008 0.000 1.024 482 N CA 0.986 54.064 53.050 0.047 0.000 0.853 482 N CB -0.665 37.869 38.487 0.078 0.000 1.008 482 N HN 0.494 nan 8.380 nan 0.000 0.424 483 F N 1.447 121.314 119.950 -0.138 0.000 2.113 483 F HA -0.032 4.497 4.527 0.004 0.000 0.297 483 F C 2.162 177.883 175.800 -0.131 0.000 1.103 483 F CA 1.295 59.165 58.000 -0.217 0.000 1.248 483 F CB -0.531 38.247 39.000 -0.369 0.000 0.999 483 F HN 0.032 nan 8.300 nan 0.000 0.475 484 A N 0.448 123.204 122.820 -0.107 0.000 1.908 484 A HA -0.238 4.084 4.320 0.004 0.000 0.218 484 A C 2.395 179.888 177.584 -0.153 0.000 1.181 484 A CA 1.950 53.901 52.037 -0.144 0.000 0.627 484 A CB -0.865 18.105 19.000 -0.050 0.000 0.818 484 A HN 0.465 nan 8.150 nan 0.000 0.445 485 R N -1.237 119.202 120.500 -0.103 0.000 2.073 485 R HA -0.090 4.252 4.340 0.004 0.000 0.229 485 R C 1.830 178.075 176.300 -0.092 0.000 1.120 485 R CA 1.900 57.959 56.100 -0.069 0.000 0.967 485 R CB -0.053 30.228 30.300 -0.033 0.000 0.862 485 R HN 0.702 nan 8.270 nan 0.000 0.436 486 T N -5.914 108.555 114.554 -0.143 0.000 3.041 486 T HA 0.230 4.582 4.350 0.004 0.000 0.276 486 T C 0.943 175.532 174.700 -0.184 0.000 0.948 486 T CA 0.377 62.406 62.100 -0.118 0.000 0.885 486 T CB 1.283 70.114 68.868 -0.062 0.000 1.175 486 T HN 0.304 nan 8.240 nan 0.000 0.529 487 G N 1.402 109.959 108.800 -0.405 0.000 2.143 487 G HA2 -0.171 3.791 3.960 0.004 0.000 0.248 487 G HA3 -0.171 3.791 3.960 0.004 0.000 0.248 487 G C -0.350 174.464 174.900 -0.143 0.000 0.991 487 G CA 0.248 45.036 45.100 -0.520 0.000 0.689 487 G HN 0.828 nan 8.290 nan 0.000 0.522 488 D N -0.815 119.504 120.400 -0.135 0.000 2.616 488 D HA 0.425 5.067 4.640 0.004 0.000 0.238 488 D C -1.204 174.946 176.300 -0.250 0.000 1.354 488 D CA -1.590 52.297 54.000 -0.188 0.000 0.970 488 D CB 1.844 42.619 40.800 -0.041 0.000 1.369 488 D HN -0.005 nan 8.370 nan 0.000 0.585 489 P HA -0.068 nan 4.420 nan 0.000 0.230 489 P C -0.008 177.306 177.300 0.024 0.000 1.158 489 P CA 0.212 63.130 63.100 -0.303 0.000 0.769 489 P CB 0.338 31.525 31.700 -0.856 0.000 0.807 490 N N 1.582 120.258 118.700 -0.039 0.000 2.520 490 N HA 0.014 4.756 4.740 0.004 0.000 0.273 490 N C 0.089 175.669 175.510 0.116 0.000 1.155 490 N CA 0.273 53.397 53.050 0.124 0.000 0.967 490 N CB 0.572 39.125 38.487 0.109 0.000 1.092 490 N HN 0.070 nan 8.380 nan 0.000 0.457 491 D N 2.474 122.964 120.400 0.150 0.000 2.358 491 D HA 0.062 4.704 4.640 0.004 0.000 0.258 491 D C -1.397 174.949 176.300 0.076 0.000 1.223 491 D CA -1.379 52.679 54.000 0.097 0.000 0.886 491 D CB 1.337 42.191 40.800 0.090 0.000 1.120 491 D HN 0.274 nan 8.370 nan 0.000 0.482 492 P HA -0.161 nan 4.420 nan 0.000 0.215 492 P C 1.480 178.808 177.300 0.046 0.000 1.157 492 P CA 1.520 64.648 63.100 0.048 0.000 0.868 492 P CB 0.178 31.898 31.700 0.034 0.000 0.788 493 R N 0.401 120.926 120.500 0.041 0.000 2.081 493 R HA -0.118 4.224 4.340 0.004 0.000 0.235 493 R C 1.340 177.665 176.300 0.042 0.000 1.131 493 R CA 1.784 57.906 56.100 0.037 0.000 0.960 493 R CB -2.155 28.163 30.300 0.030 0.000 0.856 493 R HN 0.191 nan 8.270 nan 0.000 0.436 494 D N 0.144 120.575 120.400 0.051 0.000 2.441 494 D HA 0.323 4.965 4.640 0.004 0.000 0.243 494 D C 1.429 177.767 176.300 0.063 0.000 1.257 494 D CA 0.663 54.697 54.000 0.056 0.000 1.027 494 D CB 0.437 41.277 40.800 0.066 0.000 1.084 494 D HN 0.479 nan 8.370 nan 0.000 0.514 495 S N 3.180 118.911 115.700 0.052 0.000 2.359 495 S HA -0.235 4.237 4.470 0.004 0.000 0.224 495 S C 2.059 176.692 174.600 0.055 0.000 1.035 495 S CA 2.164 60.395 58.200 0.051 0.000 1.018 495 S CB -0.373 62.851 63.200 0.041 0.000 0.876 495 S HN 0.502 nan 8.310 nan 0.000 0.448 496 K N 0.953 121.384 120.400 0.051 0.000 1.973 496 K HA 0.213 4.535 4.320 0.004 0.000 0.212 496 K C 1.501 178.139 176.600 0.062 0.000 1.047 496 K CA 1.129 57.446 56.287 0.050 0.000 0.937 496 K CB -1.425 31.099 32.500 0.041 0.000 0.721 496 K HN 0.414 nan 8.250 nan 0.000 0.440 497 S N 2.081 117.825 115.700 0.074 0.000 2.573 497 S HA 0.192 4.664 4.470 0.004 0.000 0.297 497 S C -2.255 172.412 174.600 0.112 0.000 1.280 497 S CA -0.781 57.476 58.200 0.096 0.000 1.061 497 S CB 0.561 63.832 63.200 0.119 0.000 0.812 497 S HN 0.431 nan 8.310 nan 0.000 0.500 498 P HA 0.148 nan 4.420 nan 0.000 0.269 498 P C -0.580 176.805 177.300 0.141 0.000 1.209 498 P CA -0.366 62.794 63.100 0.101 0.000 0.776 498 P CB 0.421 32.163 31.700 0.070 0.000 0.876 499 Q N 0.790 120.673 119.800 0.138 0.000 2.259 499 Q HA 0.198 4.540 4.340 0.004 0.000 0.246 499 Q C -0.754 175.392 176.000 0.244 0.000 0.920 499 Q CA -0.002 55.916 55.803 0.191 0.000 0.895 499 Q CB 1.035 29.872 28.738 0.165 0.000 1.220 499 Q HN 0.572 nan 8.270 nan 0.000 0.439 500 W N 6.177 127.523 121.300 0.076 0.000 2.288 500 W HA 0.333 4.996 4.660 0.004 0.000 0.325 500 W C -2.504 174.159 176.519 0.240 0.000 1.019 500 W CA -2.566 54.838 57.345 0.098 0.000 1.403 500 W CB 0.540 29.989 29.460 -0.019 0.000 1.226 500 W HN 0.388 nan 8.180 nan 0.000 0.391 501 P HA 0.245 nan 4.420 nan 0.000 0.277 501 P C -2.568 174.936 177.300 0.340 0.000 1.240 501 P CA -1.611 61.706 63.100 0.362 0.000 0.798 501 P CB 0.680 32.505 31.700 0.209 0.000 0.979 502 P HA 0.003 nan 4.420 nan 0.000 0.267 502 P C -0.516 176.779 177.300 -0.009 0.000 1.200 502 P CA 0.319 63.221 63.100 -0.331 0.000 0.772 502 P CB -0.023 31.479 31.700 -0.330 0.000 0.855 503 Y N 3.025 123.274 120.300 -0.086 0.000 2.402 503 Y HA 0.272 4.826 4.550 0.007 0.000 0.333 503 Y C 0.416 176.307 175.900 -0.015 0.000 1.076 503 Y CA 0.557 58.670 58.100 0.022 0.000 1.299 503 Y CB 0.163 38.658 38.460 0.058 0.000 1.197 503 Y HN 0.361 nan 8.280 nan 0.000 0.517 504 T N 0.318 114.599 114.554 -0.456 0.000 2.930 504 T HA 0.251 4.603 4.350 0.004 0.000 0.290 504 T C 0.996 175.420 174.700 -0.459 0.000 1.052 504 T CA -0.214 61.699 62.100 -0.311 0.000 1.017 504 T CB 1.386 70.151 68.868 -0.171 0.000 1.137 504 T HN 0.644 nan 8.240 nan 0.000 0.511 505 T N -1.060 113.370 114.554 -0.207 0.000 2.857 505 T HA 0.027 4.379 4.350 0.004 0.000 0.266 505 T C 2.273 176.897 174.700 -0.127 0.000 1.048 505 T CA 0.803 62.819 62.100 -0.141 0.000 1.139 505 T CB -0.794 68.058 68.868 -0.027 0.000 0.874 505 T HN 0.803 nan 8.240 nan 0.000 0.455 506 A N 1.315 124.072 122.820 -0.106 0.000 1.969 506 A HA 0.549 4.872 4.320 0.004 0.000 0.218 506 A C 2.483 180.020 177.584 -0.078 0.000 1.169 506 A CA 1.507 53.503 52.037 -0.069 0.000 0.635 506 A CB -0.775 18.197 19.000 -0.047 0.000 0.810 506 A HN 0.799 nan 8.150 nan 0.000 0.445 507 A N -2.606 120.137 122.820 -0.128 0.000 2.312 507 A HA 0.373 4.696 4.320 0.004 0.000 0.215 507 A C 0.710 178.219 177.584 -0.125 0.000 1.256 507 A CA 0.648 52.628 52.037 -0.095 0.000 0.966 507 A CB 0.012 18.974 19.000 -0.063 0.000 1.053 507 A HN 0.399 nan 8.150 nan 0.000 0.510 508 Q N 0.171 119.772 119.800 -0.331 0.000 2.439 508 Q HA -0.220 4.122 4.340 0.004 0.000 0.325 508 Q C -0.549 175.479 176.000 0.046 0.000 1.372 508 Q CA 0.705 56.251 55.803 -0.427 0.000 0.909 508 Q CB -1.590 27.120 28.738 -0.047 0.000 1.167 508 Q HN 0.814 nan 8.270 nan 0.000 0.418 509 Q N 0.413 120.235 119.800 0.036 0.000 2.235 509 Q HA 0.595 4.937 4.340 0.004 0.000 0.250 509 Q C -0.594 175.707 176.000 0.502 0.000 0.909 509 Q CA -0.377 55.555 55.803 0.215 0.000 0.910 509 Q CB 0.891 29.691 28.738 0.104 0.000 1.223 509 Q HN 0.362 nan 8.270 nan 0.000 0.432 510 Y N -1.619 118.819 120.300 0.230 0.000 2.670 510 Y HA 0.689 5.247 4.550 0.014 0.000 0.334 510 Y C -1.352 174.556 175.900 0.013 0.000 1.185 510 Y CA -1.483 56.741 58.100 0.206 0.000 1.053 510 Y CB 0.447 39.030 38.460 0.204 0.000 1.298 510 Y HN 0.331 nan 8.280 nan 0.000 0.459 511 V N -0.251 119.581 119.914 -0.137 0.000 2.769 511 V HA 0.814 4.936 4.120 0.004 0.000 0.312 511 V C -0.123 175.888 176.094 -0.138 0.000 1.058 511 V CA -0.610 61.463 62.300 -0.378 0.000 0.952 511 V CB 1.235 32.570 31.823 -0.814 0.000 1.019 511 V HN 1.145 nan 8.190 nan 0.000 0.445 512 S N 4.010 119.630 115.700 -0.133 0.000 2.523 512 S HA 0.623 5.096 4.470 0.004 0.000 0.275 512 S C -0.357 174.219 174.600 -0.040 0.000 1.281 512 S CA -0.623 57.572 58.200 -0.008 0.000 1.050 512 S CB 0.364 63.548 63.200 -0.026 0.000 0.937 512 S HN 0.722 nan 8.310 nan 0.000 0.492 513 L N 4.228 125.480 121.223 0.048 0.000 2.264 513 L HA 0.469 4.811 4.340 0.004 0.000 0.287 513 L C -0.200 176.622 176.870 -0.081 0.000 1.039 513 L CA -0.460 54.433 54.840 0.088 0.000 0.829 513 L CB -0.225 41.982 42.059 0.247 0.000 1.211 513 L HN 0.887 nan 8.230 nan 0.000 0.427 514 N N 2.103 120.706 118.700 -0.162 0.000 3.316 514 N HA 0.371 5.113 4.740 0.004 0.000 0.300 514 N C 0.316 175.345 175.510 -0.801 0.000 1.567 514 N CA -0.996 51.695 53.050 -0.598 0.000 0.821 514 N CB 0.636 38.909 38.487 -0.358 0.000 1.748 514 N HN 0.176 nan 8.380 nan 0.000 0.603 515 L N -0.998 119.709 121.223 -0.860 0.000 2.265 515 L HA 0.047 4.389 4.340 0.004 0.000 0.215 515 L C 0.693 177.410 176.870 -0.255 0.000 1.117 515 L CA 1.000 55.476 54.840 -0.607 0.000 0.782 515 L CB -0.511 41.268 42.059 -0.467 0.000 0.914 515 L HN 0.364 nan 8.230 nan 0.000 0.441 516 K N 0.244 120.529 120.400 -0.192 0.000 2.126 516 K HA 0.263 4.585 4.320 0.004 0.000 0.257 516 K C -2.101 174.475 176.600 -0.040 0.000 1.007 516 K CA -1.869 54.363 56.287 -0.091 0.000 0.928 516 K CB 0.275 32.728 32.500 -0.079 0.000 1.013 516 K HN -0.212 nan 8.250 nan 0.000 0.473 517 P HA -0.027 nan 4.420 nan 0.000 0.270 517 P C -0.416 176.897 177.300 0.022 0.000 1.227 517 P CA -0.102 63.020 63.100 0.037 0.000 0.788 517 P CB 0.389 32.109 31.700 0.034 0.000 0.926 518 L N 1.511 122.762 121.223 0.048 0.000 2.584 518 L HA -0.028 4.314 4.340 0.004 0.000 0.272 518 L C 1.122 177.958 176.870 -0.056 0.000 1.195 518 L CA 0.805 55.628 54.840 -0.028 0.000 0.920 518 L CB -0.307 41.727 42.059 -0.042 0.000 1.173 518 L HN 0.451 nan 8.230 nan 0.000 0.489 519 E N 3.311 123.453 120.200 -0.097 0.000 2.171 519 E HA 0.344 4.696 4.350 0.004 0.000 0.271 519 E C -1.276 175.225 176.600 -0.164 0.000 0.916 519 E CA -0.766 55.574 56.400 -0.099 0.000 0.774 519 E CB 2.023 31.673 29.700 -0.083 0.000 1.128 519 E HN 0.277 nan 8.360 nan 0.000 0.403 520 V N 5.386 125.214 119.914 -0.143 0.000 2.432 520 V HA 0.363 4.485 4.120 0.004 0.000 0.275 520 V C 0.366 176.313 176.094 -0.244 0.000 1.043 520 V CA -0.209 61.979 62.300 -0.187 0.000 0.925 520 V CB 1.026 32.797 31.823 -0.087 0.000 0.985 520 V HN 0.645 nan 8.190 nan 0.000 0.466 521 R N 3.953 124.170 120.500 -0.471 0.000 2.873 521 R HA 0.713 5.055 4.340 0.004 0.000 0.264 521 R C -0.692 175.382 176.300 -0.375 0.000 1.026 521 R CA -1.008 54.791 56.100 -0.501 0.000 1.002 521 R CB 2.312 32.154 30.300 -0.763 0.000 1.174 521 R HN 0.582 nan 8.270 nan 0.000 0.488 522 R N 0.082 120.543 120.500 -0.065 0.000 2.534 522 R HA 0.420 4.762 4.340 0.004 0.000 0.301 522 R C -0.676 175.807 176.300 0.305 0.000 0.961 522 R CA -0.474 55.700 56.100 0.124 0.000 0.871 522 R CB 2.123 32.459 30.300 0.060 0.000 1.170 522 R HN 0.909 nan 8.270 nan 0.000 0.446 523 G N 2.664 111.700 108.800 0.392 0.000 3.391 523 G HA2 -0.243 3.719 3.960 0.004 0.000 0.675 523 G HA3 -0.243 3.719 3.960 0.004 0.000 0.675 523 G C -0.540 174.546 174.900 0.311 0.000 0.899 523 G CA -0.807 44.486 45.100 0.322 0.000 0.755 523 G HN 0.579 nan 8.290 nan 0.000 0.475 524 L N 4.453 125.758 121.223 0.137 0.000 2.375 524 L HA 0.309 4.651 4.340 0.004 0.000 0.276 524 L C 1.357 178.226 176.870 -0.002 0.000 1.162 524 L CA -0.819 53.931 54.840 -0.150 0.000 0.991 524 L CB -0.134 41.756 42.059 -0.281 0.000 1.315 524 L HN 0.768 nan 8.230 nan 0.000 0.431 525 R N 1.847 122.386 120.500 0.065 0.000 3.251 525 R HA -0.263 4.079 4.340 0.004 0.000 0.249 525 R C 1.168 177.551 176.300 0.139 0.000 0.949 525 R CA 0.616 56.785 56.100 0.115 0.000 0.645 525 R CB -2.021 28.353 30.300 0.124 0.000 1.065 525 R HN 0.773 nan 8.270 nan 0.000 0.452 526 A N 0.555 123.457 122.820 0.137 0.000 1.883 526 A HA -0.285 4.037 4.320 0.004 0.000 0.217 526 A C 2.106 179.776 177.584 0.144 0.000 1.186 526 A CA 1.843 53.963 52.037 0.139 0.000 0.624 526 A CB -0.179 18.899 19.000 0.130 0.000 0.822 526 A HN 0.457 nan 8.150 nan 0.000 0.444 527 Q N -0.927 118.955 119.800 0.136 0.000 2.046 527 Q HA -0.078 4.264 4.340 0.004 0.000 0.200 527 Q C 2.217 178.342 176.000 0.209 0.000 0.975 527 Q CA 2.337 58.223 55.803 0.138 0.000 0.836 527 Q CB -0.712 28.083 28.738 0.095 0.000 0.896 527 Q HN 0.601 nan 8.270 nan 0.000 0.428 528 T N -0.731 113.970 114.554 0.245 0.000 2.746 528 T HA -0.150 4.202 4.350 0.004 0.000 0.267 528 T C 1.836 176.797 174.700 0.436 0.000 1.039 528 T CA 1.367 63.691 62.100 0.372 0.000 1.142 528 T CB -0.490 68.586 68.868 0.348 0.000 0.866 528 T HN 0.371 nan 8.240 nan 0.000 0.444 529 c N 1.626 120.440 118.600 0.356 0.000 2.432 529 c HA 0.209 4.781 4.570 0.004 0.000 0.282 529 c C 3.086 177.339 174.090 0.272 0.000 1.388 529 c CA 0.018 56.558 56.329 0.352 0.000 1.777 529 c CB -1.464 41.179 42.510 0.222 0.000 1.882 529 c HN 0.634 nan 8.230 nan 0.000 0.520 530 A N -0.085 122.864 122.820 0.215 0.000 2.015 530 A HA -0.130 4.192 4.320 0.004 0.000 0.219 530 A C 1.818 179.490 177.584 0.147 0.000 1.163 530 A CA 1.243 53.374 52.037 0.156 0.000 0.646 530 A CB -0.671 18.406 19.000 0.128 0.000 0.806 530 A HN 0.562 nan 8.150 nan 0.000 0.448 531 F N -0.775 119.168 119.950 -0.012 0.000 2.075 531 F HA -0.149 4.379 4.527 0.002 0.000 0.297 531 F C 1.931 177.685 175.800 -0.076 0.000 1.113 531 F CA 1.770 59.669 58.000 -0.170 0.000 1.218 531 F CB -0.524 38.103 39.000 -0.622 0.000 0.984 531 F HN 0.360 nan 8.300 nan 0.000 0.472 532 W N 0.718 121.982 121.300 -0.060 0.000 2.418 532 W HA -0.106 4.554 4.660 0.001 0.000 0.292 532 W C 2.054 178.499 176.519 -0.124 0.000 1.213 532 W CA 0.913 58.174 57.345 -0.141 0.000 1.283 532 W CB -0.410 29.125 29.460 0.124 0.000 1.119 532 W HN 0.007 nan 8.180 nan 0.000 0.542 533 N N -0.479 118.323 118.700 0.170 0.000 2.388 533 N HA 0.068 4.810 4.740 0.004 0.000 0.176 533 N C 1.455 176.982 175.510 0.028 0.000 1.062 533 N CA 0.729 53.831 53.050 0.087 0.000 0.895 533 N CB -0.125 38.417 38.487 0.091 0.000 1.018 533 N HN 0.251 nan 8.380 nan 0.000 0.456 534 R N -1.270 119.245 120.500 0.025 0.000 2.225 534 R HA 0.239 4.582 4.340 0.004 0.000 0.194 534 R C 1.244 177.559 176.300 0.026 0.000 0.949 534 R CA 0.067 56.186 56.100 0.031 0.000 1.088 534 R CB 0.081 30.422 30.300 0.067 0.000 1.106 534 R HN 0.032 nan 8.270 nan 0.000 0.566 535 F N 1.061 120.887 119.950 -0.207 0.000 2.315 535 F HA 0.123 4.652 4.527 0.004 0.000 0.284 535 F C 1.866 177.457 175.800 -0.348 0.000 1.049 535 F CA 0.504 58.353 58.000 -0.251 0.000 1.323 535 F CB -0.253 38.609 39.000 -0.230 0.000 1.113 535 F HN -0.166 nan 8.300 nan 0.000 0.544 536 L N 1.551 122.372 121.223 -0.670 0.000 2.051 536 L HA -0.164 4.178 4.340 0.004 0.000 0.214 536 L C -0.721 175.889 176.870 -0.434 0.000 1.076 536 L CA 2.346 56.771 54.840 -0.692 0.000 0.758 536 L CB -2.028 39.626 42.059 -0.674 0.000 0.890 536 L HN 0.094 nan 8.230 nan 0.000 0.433 537 P HA -0.170 nan 4.420 nan 0.000 0.215 537 P C 1.466 178.629 177.300 -0.228 0.000 1.157 537 P CA 1.491 64.476 63.100 -0.191 0.000 0.868 537 P CB -0.103 31.526 31.700 -0.119 0.000 0.788 538 K N -0.967 119.265 120.400 -0.279 0.000 2.147 538 K HA -0.119 4.203 4.320 0.004 0.000 0.205 538 K C 1.950 178.343 176.600 -0.344 0.000 1.049 538 K CA 0.956 57.084 56.287 -0.265 0.000 0.936 538 K CB -0.877 31.490 32.500 -0.222 0.000 0.722 538 K HN 0.103 nan 8.250 nan 0.000 0.446 539 L N 1.356 122.247 121.223 -0.552 0.000 2.109 539 L HA -0.069 4.273 4.340 0.004 0.000 0.207 539 L C 1.917 178.625 176.870 -0.271 0.000 1.086 539 L CA 1.340 55.885 54.840 -0.492 0.000 0.760 539 L CB -0.326 41.319 42.059 -0.689 0.000 0.910 539 L HN 0.093 nan 8.230 nan 0.000 0.437 540 L N -1.444 119.633 121.223 -0.243 0.000 2.275 540 L HA -0.144 4.198 4.340 0.004 0.000 0.215 540 L C 2.301 179.101 176.870 -0.117 0.000 1.119 540 L CA 0.756 55.505 54.840 -0.152 0.000 0.790 540 L CB -0.484 41.497 42.059 -0.129 0.000 0.919 540 L HN 0.255 nan 8.230 nan 0.000 0.443 541 S N 0.137 115.762 115.700 -0.125 0.000 2.336 541 S HA 0.002 4.474 4.470 0.004 0.000 0.214 541 S C 1.186 175.738 174.600 -0.080 0.000 1.032 541 S CA 0.804 58.949 58.200 -0.092 0.000 1.001 541 S CB -0.242 62.905 63.200 -0.088 0.000 0.953 541 S HN 0.425 nan 8.310 nan 0.000 0.430 542 A N 0.000 122.767 122.820 -0.088 0.000 2.254 542 A HA 0.000 4.322 4.320 0.004 0.000 0.244 542 A CA 0.000 51.997 52.037 -0.067 0.000 0.836 542 A CB 0.000 18.964 19.000 -0.061 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486