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 1wyu_1_F DATA FIRST_RESID 2 DATA SEQUENCE SFPLIFERSR KGRRGLKLVK AVPKAEDLIP KEHLREVPPR LPEVDELTLV DATA SEQUENCE RHYTGLSRRQ VGVDTTFYPL GSCTMKYNPK LHEEAARLFA DLHPYQDPRT DATA SEQUENCE AQGALRLMWE LGEYLKALTG MDAITLEPAA GAHGELTGIL IIRAYHEDRG DATA SEQUENCE EGRTRRVVLV PDSAHGSNPA TASMAGYQVR EIPSGPEGEV DLEALKRELG DATA SEQUENCE PHVAALMLTN PNTLGLFERR ILEISRLCKE AGVQLYYDGA NLNAIMGWAR DATA SEQUENCE PGDMGFDVVH LNLHKTFTVP HGGGGPGSGP VGVKAHLAPY LPVPLVERGE DATA SEQUENCE EGFYLDFDRP KSIGRVRSFY GNFLALVRAW AYIRTLGLEG LKKAAALAVL DATA SEQUENCE NARYLKELLK EKGYRVPYDG PSMHEFVAQP PEGFRALDLA KGLLELGFHP DATA SEQUENCE PTVYFPLIVK EALMVEPTET EAKETLEAFA EAMGALLKKP KEWLENAPYS DATA SEQUENCE TPVRRLDELR ANKHPKLTYF DEG 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.726 174.600 0.210 0.000 1.055 2 S CA 0.000 58.267 58.200 0.112 0.000 1.107 2 S CB 0.000 63.242 63.200 0.070 0.000 0.593 3 F N 1.897 121.845 119.950 -0.004 0.000 2.623 3 F HA 0.633 5.160 4.527 -0.000 0.000 0.323 3 F C -2.543 173.258 175.800 0.002 0.000 1.158 3 F CA -1.042 56.950 58.000 -0.014 0.000 1.030 3 F CB 1.647 40.623 39.000 -0.041 0.000 1.280 3 F HN 0.705 nan 8.300 nan 0.000 0.474 4 P HA 0.247 nan 4.420 nan 0.000 0.269 4 P C -0.680 176.539 177.300 -0.134 0.000 1.215 4 P CA -0.224 62.727 63.100 -0.250 0.000 0.780 4 P CB 1.294 32.813 31.700 -0.300 0.000 0.898 5 L N 2.248 123.432 121.223 -0.065 0.000 2.418 5 L HA 0.109 4.449 4.340 -0.000 0.000 0.265 5 L C 2.160 178.833 176.870 -0.328 0.000 1.143 5 L CA -0.594 54.206 54.840 -0.067 0.000 0.809 5 L CB 0.374 42.399 42.059 -0.055 0.000 1.124 5 L HN 0.324 nan 8.230 nan 0.000 0.456 6 I N 0.896 121.079 120.570 -0.645 0.000 2.335 6 I HA -0.272 3.898 4.170 -0.000 0.000 0.251 6 I C 1.748 177.388 176.117 -0.795 0.000 1.129 6 I CA 1.712 62.381 61.300 -1.052 0.000 1.402 6 I CB -0.187 37.059 38.000 -1.256 0.000 1.069 6 I HN 0.469 nan 8.210 nan 0.000 0.424 7 F N 0.649 120.297 119.950 -0.504 0.000 2.325 7 F HA -0.046 4.481 4.527 0.000 0.000 0.299 7 F C 2.354 177.912 175.800 -0.404 0.000 1.090 7 F CA 1.000 58.667 58.000 -0.554 0.000 1.392 7 F CB -0.773 37.512 39.000 -1.192 0.000 1.053 7 F HN 0.154 nan 8.300 nan 0.000 0.521 8 E N -0.089 119.978 120.200 -0.223 0.000 2.285 8 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 8 E C 2.034 178.570 176.600 -0.105 0.000 0.997 8 E CA 0.323 56.666 56.400 -0.094 0.000 0.845 8 E CB -0.081 29.580 29.700 -0.066 0.000 0.782 8 E HN 0.405 nan 8.360 nan 0.000 0.491 9 R N 0.750 121.140 120.500 -0.185 0.000 2.240 9 R HA 0.100 4.440 4.340 -0.000 0.000 0.203 9 R C 0.774 177.003 176.300 -0.118 0.000 1.011 9 R CA -0.007 55.993 56.100 -0.167 0.000 1.007 9 R CB 0.177 30.333 30.300 -0.241 0.000 0.911 9 R HN -0.077 nan 8.270 nan 0.000 0.468 10 S N 1.047 116.684 115.700 -0.106 0.000 2.566 10 S HA 0.127 4.597 4.470 -0.000 0.000 0.280 10 S C 0.192 174.787 174.600 -0.007 0.000 1.343 10 S CA 0.128 58.302 58.200 -0.043 0.000 1.036 10 S CB 0.606 63.816 63.200 0.016 0.000 0.866 10 S HN 0.126 nan 8.310 nan 0.000 0.526 11 R N 1.753 122.254 120.500 0.003 0.000 2.538 11 R HA 0.267 4.607 4.340 -0.000 0.000 0.292 11 R C -0.592 175.721 176.300 0.022 0.000 1.008 11 R CA -0.748 55.360 56.100 0.012 0.000 0.896 11 R CB 1.438 31.739 30.300 0.001 0.000 1.187 11 R HN 0.635 nan 8.270 nan 0.000 0.440 12 K N 0.753 121.171 120.400 0.030 0.000 2.466 12 K HA -0.006 4.314 4.320 -0.000 0.000 0.278 12 K C 0.783 177.396 176.600 0.022 0.000 1.048 12 K CA 1.806 58.111 56.287 0.031 0.000 1.088 12 K CB 0.079 32.597 32.500 0.030 0.000 0.884 12 K HN 0.814 nan 8.250 nan 0.000 0.478 13 G N 3.372 112.185 108.800 0.023 0.000 2.205 13 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.261 13 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.261 13 G C 0.219 175.128 174.900 0.015 0.000 0.980 13 G CA 0.458 45.568 45.100 0.018 0.000 0.632 13 G HN 0.711 nan 8.290 nan 0.000 0.533 14 R N 0.687 121.195 120.500 0.013 0.000 2.590 14 R HA 0.453 4.793 4.340 -0.000 0.000 0.274 14 R C 0.214 176.520 176.300 0.010 0.000 1.061 14 R CA -0.109 55.996 56.100 0.008 0.000 1.081 14 R CB 0.311 30.612 30.300 0.002 0.000 0.984 14 R HN 0.141 nan 8.270 nan 0.000 0.448 15 R N 1.982 122.487 120.500 0.008 0.000 2.664 15 R HA 0.386 4.726 4.340 -0.000 0.000 0.286 15 R C 0.039 176.345 176.300 0.009 0.000 0.967 15 R CA -0.423 55.683 56.100 0.010 0.000 0.933 15 R CB 1.907 32.213 30.300 0.011 0.000 1.146 15 R HN 0.933 nan 8.270 nan 0.000 0.468 16 G N 1.389 110.196 108.800 0.011 0.000 3.157 16 G HA2 0.274 4.234 3.960 -0.000 0.000 0.206 16 G HA3 0.274 4.234 3.960 -0.000 0.000 0.206 16 G C -0.179 174.729 174.900 0.013 0.000 1.903 16 G CA -0.500 44.608 45.100 0.012 0.000 0.771 16 G HN 0.309 nan 8.290 nan 0.000 0.750 17 L N 1.090 122.322 121.223 0.015 0.000 2.456 17 L HA 0.276 4.616 4.340 -0.000 0.000 0.272 17 L C -0.271 176.606 176.870 0.012 0.000 1.189 17 L CA 0.385 55.233 54.840 0.013 0.000 0.846 17 L CB 0.674 42.740 42.059 0.012 0.000 1.111 17 L HN 0.311 nan 8.230 nan 0.000 0.475 18 K N 4.970 125.376 120.400 0.011 0.000 2.579 18 K HA 0.334 4.654 4.320 -0.000 0.000 0.225 18 K C 0.145 176.751 176.600 0.009 0.000 0.992 18 K CA -0.253 56.040 56.287 0.010 0.000 1.018 18 K CB 1.189 33.694 32.500 0.009 0.000 1.249 18 K HN 0.533 nan 8.250 nan 0.000 0.489 19 L N 1.287 122.516 121.223 0.009 0.000 2.607 19 L HA 0.187 4.527 4.340 -0.000 0.000 0.228 19 L C -0.052 176.823 176.870 0.008 0.000 1.123 19 L CA -0.087 54.758 54.840 0.008 0.000 0.890 19 L CB 0.497 42.560 42.059 0.008 0.000 1.103 19 L HN 0.185 nan 8.230 nan 0.000 0.468 20 V N -0.186 119.732 119.914 0.008 0.000 2.483 20 V HA 0.257 4.377 4.120 -0.000 0.000 0.297 20 V C 0.633 176.731 176.094 0.007 0.000 1.027 20 V CA -0.757 61.547 62.300 0.008 0.000 0.855 20 V CB 2.113 33.941 31.823 0.008 0.000 0.995 20 V HN 0.019 nan 8.190 nan 0.000 0.424 21 K N 2.999 123.403 120.400 0.006 0.000 1.991 21 K HA 0.167 4.487 4.320 -0.000 0.000 0.207 21 K C 0.901 177.505 176.600 0.006 0.000 1.045 21 K CA 1.435 57.725 56.287 0.006 0.000 0.937 21 K CB 0.120 32.623 32.500 0.005 0.000 0.720 21 K HN 0.749 nan 8.250 nan 0.000 0.438 22 A N 1.986 124.809 122.820 0.005 0.000 2.394 22 A HA 0.409 4.729 4.320 -0.000 0.000 0.333 22 A C -0.500 177.088 177.584 0.006 0.000 1.397 22 A CA -0.556 51.484 52.037 0.005 0.000 0.884 22 A CB 0.614 19.616 19.000 0.005 0.000 1.147 22 A HN -0.042 nan 8.150 nan 0.000 0.505 23 V N 5.593 125.511 119.914 0.007 0.000 2.470 23 V HA 0.228 4.348 4.120 -0.000 0.000 0.276 23 V C -1.113 174.986 176.094 0.007 0.000 1.040 23 V CA -0.862 61.443 62.300 0.008 0.000 1.008 23 V CB 0.286 32.114 31.823 0.008 0.000 0.990 23 V HN 0.903 nan 8.190 nan 0.000 0.477 24 P HA 0.256 nan 4.420 nan 0.000 0.274 24 P C -0.720 176.585 177.300 0.008 0.000 1.256 24 P CA -0.672 62.433 63.100 0.007 0.000 0.795 24 P CB 0.876 32.581 31.700 0.007 0.000 1.038 25 K N 0.254 120.659 120.400 0.008 0.000 2.211 25 K HA 0.367 4.687 4.320 -0.000 0.000 0.275 25 K C 1.089 177.695 176.600 0.011 0.000 1.024 25 K CA -0.280 56.013 56.287 0.009 0.000 0.887 25 K CB 1.219 33.724 32.500 0.008 0.000 1.084 25 K HN 0.510 nan 8.250 nan 0.000 0.463 26 A N 4.557 127.385 122.820 0.012 0.000 1.903 26 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 26 A C 1.516 179.110 177.584 0.017 0.000 1.191 26 A CA 2.386 54.432 52.037 0.015 0.000 0.638 26 A CB -0.542 18.468 19.000 0.017 0.000 0.823 26 A HN 0.846 nan 8.150 nan 0.000 0.451 27 E N 0.270 120.479 120.200 0.016 0.000 2.331 27 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 27 E C 0.825 177.434 176.600 0.015 0.000 1.008 27 E CA 1.461 57.870 56.400 0.017 0.000 0.843 27 E CB -0.410 29.298 29.700 0.013 0.000 0.761 27 E HN 0.595 nan 8.360 nan 0.000 0.507 28 D N -0.263 120.145 120.400 0.013 0.000 2.348 28 D HA 0.090 4.730 4.640 -0.000 0.000 0.211 28 D C 1.514 177.821 176.300 0.011 0.000 0.998 28 D CA 0.538 54.544 54.000 0.011 0.000 0.873 28 D CB 0.347 41.152 40.800 0.008 0.000 0.925 28 D HN 0.301 nan 8.370 nan 0.000 0.524 29 L N 0.121 121.351 121.223 0.012 0.000 2.577 29 L HA 0.201 4.541 4.340 -0.000 0.000 0.225 29 L C 0.581 177.458 176.870 0.012 0.000 1.053 29 L CA 0.164 55.010 54.840 0.010 0.000 0.866 29 L CB 0.629 42.692 42.059 0.008 0.000 1.132 29 L HN -0.061 nan 8.230 nan 0.000 0.486 30 I N -1.780 118.803 120.570 0.022 0.000 2.647 30 I HA 0.519 4.689 4.170 -0.000 0.000 0.295 30 I C -2.888 173.266 176.117 0.062 0.000 1.078 30 I CA -2.614 58.706 61.300 0.034 0.000 1.048 30 I CB 1.504 39.523 38.000 0.032 0.000 1.239 30 I HN -0.167 nan 8.210 nan 0.000 0.421 31 P HA 0.039 nan 4.420 nan 0.000 0.265 31 P C 0.432 177.788 177.300 0.092 0.000 1.193 31 P CA -0.143 63.021 63.100 0.108 0.000 0.765 31 P CB 1.085 32.889 31.700 0.174 0.000 0.823 32 K N 3.450 123.875 120.400 0.042 0.000 2.160 32 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 32 K C 1.743 178.338 176.600 -0.007 0.000 1.047 32 K CA 2.074 58.372 56.287 0.019 0.000 0.930 32 K CB -0.272 32.231 32.500 0.004 0.000 0.720 32 K HN 0.663 nan 8.250 nan 0.000 0.450 33 E N -1.402 118.768 120.200 -0.050 0.000 2.209 33 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 33 E C 0.904 177.361 176.600 -0.238 0.000 0.993 33 E CA 1.433 57.735 56.400 -0.163 0.000 0.819 33 E CB -0.380 29.170 29.700 -0.249 0.000 0.745 33 E HN 0.527 nan 8.360 nan 0.000 0.477 34 H N -0.146 118.925 119.070 0.001 0.000 2.586 34 H HA 0.334 4.889 4.556 -0.000 0.000 0.273 34 H C 0.021 175.350 175.328 0.002 0.000 0.997 34 H CA -0.395 55.654 56.048 0.002 0.000 1.177 34 H CB 0.478 30.242 29.762 0.003 0.000 1.471 34 H HN 0.008 nan 8.280 nan 0.000 0.538 35 L N 1.795 123.069 121.223 0.086 0.000 2.331 35 L HA 0.186 4.526 4.340 -0.000 0.000 0.278 35 L C 0.617 177.506 176.870 0.031 0.000 1.106 35 L CA -0.359 54.514 54.840 0.054 0.000 0.824 35 L CB 0.928 43.009 42.059 0.037 0.000 1.142 35 L HN 0.199 nan 8.230 nan 0.000 0.443 36 R N 2.070 122.587 120.500 0.029 0.000 2.449 36 R HA -0.052 4.287 4.340 -0.000 0.000 0.296 36 R C 0.738 177.042 176.300 0.007 0.000 1.047 36 R CA -0.051 56.059 56.100 0.016 0.000 1.018 36 R CB 0.725 31.035 30.300 0.017 0.000 0.962 36 R HN 0.611 nan 8.270 nan 0.000 0.428 37 E N 3.127 123.326 120.200 -0.001 0.000 2.075 37 E HA 0.010 4.360 4.350 -0.000 0.000 0.190 37 E C -0.385 176.209 176.600 -0.010 0.000 0.969 37 E CA 0.811 57.208 56.400 -0.006 0.000 0.815 37 E CB 0.447 30.140 29.700 -0.011 0.000 0.776 37 E HN 0.397 nan 8.360 nan 0.000 0.457 38 V N 3.441 123.345 119.914 -0.016 0.000 2.350 38 V HA 0.340 4.460 4.120 -0.000 0.000 0.276 38 V C -2.255 173.825 176.094 -0.024 0.000 1.028 38 V CA -1.838 60.447 62.300 -0.025 0.000 0.860 38 V CB 0.974 32.773 31.823 -0.040 0.000 0.990 38 V HN 0.166 nan 8.190 nan 0.000 0.453 39 P HA 0.148 nan 4.420 nan 0.000 0.267 39 P C -2.385 174.903 177.300 -0.020 0.000 1.200 39 P CA -0.712 62.384 63.100 -0.008 0.000 0.772 39 P CB -0.154 31.547 31.700 0.001 0.000 0.855 40 P HA 0.127 nan 4.420 nan 0.000 0.271 40 P C -0.366 176.936 177.300 0.003 0.000 1.218 40 P CA -0.068 63.028 63.100 -0.006 0.000 0.780 40 P CB 0.772 32.491 31.700 0.031 0.000 0.901 41 R N 1.716 122.188 120.500 -0.048 0.000 4.792 41 R HA 0.194 4.534 4.340 -0.000 0.000 0.205 41 R C 0.045 176.496 176.300 0.252 0.000 1.875 41 R CA -0.584 55.518 56.100 0.004 0.000 1.588 41 R CB -0.662 29.427 30.300 -0.351 0.000 1.401 41 R HN 0.356 nan 8.270 nan 0.000 0.834 42 L N 2.005 123.360 121.223 0.220 0.000 2.453 42 L HA 0.242 4.582 4.340 -0.000 0.000 0.261 42 L C -1.553 175.479 176.870 0.271 0.000 1.179 42 L CA -2.178 52.832 54.840 0.283 0.000 0.813 42 L CB 0.025 42.180 42.059 0.161 0.000 1.110 42 L HN 0.204 nan 8.230 nan 0.000 0.466 43 P HA 0.076 nan 4.420 nan 0.000 0.269 43 P C -1.224 176.094 177.300 0.031 0.000 1.215 43 P CA -0.227 62.903 63.100 0.050 0.000 0.780 43 P CB 0.447 32.007 31.700 -0.233 0.000 0.898 44 E N 0.741 120.950 120.200 0.015 0.000 2.489 44 E HA 0.359 4.709 4.350 -0.000 0.000 0.232 44 E C -0.422 176.167 176.600 -0.019 0.000 0.990 44 E CA -0.682 55.725 56.400 0.012 0.000 0.768 44 E CB 1.167 30.886 29.700 0.032 0.000 1.270 44 E HN 0.278 nan 8.360 nan 0.000 0.423 45 V N -0.875 119.021 119.914 -0.031 0.000 3.040 45 V HA 0.500 4.620 4.120 -0.000 0.000 0.312 45 V C -0.229 175.855 176.094 -0.016 0.000 1.115 45 V CA -1.195 61.080 62.300 -0.041 0.000 0.998 45 V CB 2.166 33.938 31.823 -0.085 0.000 1.042 45 V HN 0.411 nan 8.190 nan 0.000 0.433 46 D N 0.819 121.213 120.400 -0.011 0.000 2.383 46 D HA 0.132 4.771 4.640 -0.000 0.000 0.248 46 D C 0.674 176.981 176.300 0.012 0.000 1.170 46 D CA -0.193 53.809 54.000 0.002 0.000 0.977 46 D CB 2.043 42.844 40.800 0.002 0.000 1.120 46 D HN 0.820 nan 8.370 nan 0.000 0.481 47 E N -0.316 119.896 120.200 0.020 0.000 2.110 47 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 47 E C 2.008 178.632 176.600 0.040 0.000 0.988 47 E CA 0.456 56.876 56.400 0.032 0.000 0.804 47 E CB 0.032 29.748 29.700 0.027 0.000 0.745 47 E HN 0.495 nan 8.360 nan 0.000 0.458 48 L N 0.475 121.715 121.223 0.029 0.000 2.017 48 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 48 L C 2.292 179.185 176.870 0.037 0.000 1.073 48 L CA 1.757 56.617 54.840 0.032 0.000 0.745 48 L CB -0.468 41.603 42.059 0.021 0.000 0.894 48 L HN 0.262 nan 8.230 nan 0.000 0.432 49 T N 0.371 114.937 114.554 0.021 0.000 2.746 49 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 49 T C 1.745 176.470 174.700 0.041 0.000 1.039 49 T CA 1.613 63.718 62.100 0.009 0.000 1.142 49 T CB -0.323 68.527 68.868 -0.030 0.000 0.866 49 T HN 0.238 nan 8.240 nan 0.000 0.444 50 L N 1.250 122.509 121.223 0.060 0.000 2.012 50 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 50 L C 2.446 179.456 176.870 0.234 0.000 1.073 50 L CA 1.558 56.485 54.840 0.145 0.000 0.748 50 L CB -0.658 41.488 42.059 0.144 0.000 0.891 50 L HN 0.067 nan 8.230 nan 0.000 0.431 51 V N -0.116 119.893 119.914 0.158 0.000 2.295 51 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 51 V C 2.721 178.903 176.094 0.148 0.000 1.049 51 V CA 2.241 64.632 62.300 0.151 0.000 1.024 51 V CB -0.694 31.184 31.823 0.092 0.000 0.648 51 V HN 0.458 nan 8.190 nan 0.000 0.447 52 R N -1.037 119.531 120.500 0.114 0.000 2.096 52 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 52 R C 2.318 178.707 176.300 0.147 0.000 1.127 52 R CA 1.769 57.933 56.100 0.107 0.000 0.968 52 R CB -0.477 29.864 30.300 0.069 0.000 0.861 52 R HN 0.673 nan 8.270 nan 0.000 0.440 53 H N -0.278 118.808 119.070 0.026 0.000 2.270 53 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 53 H C 1.478 176.803 175.328 -0.004 0.000 1.077 53 H CA 1.937 57.971 56.048 -0.022 0.000 1.294 53 H CB -0.211 29.385 29.762 -0.277 0.000 1.371 53 H HN 0.145 nan 8.280 nan 0.000 0.491 54 Y N -0.204 120.155 120.300 0.098 0.000 2.314 54 Y HA -0.112 4.438 4.550 -0.000 0.000 0.293 54 Y C 2.840 178.723 175.900 -0.028 0.000 1.129 54 Y CA 1.547 59.648 58.100 0.002 0.000 1.201 54 Y CB -0.487 38.009 38.460 0.060 0.000 0.999 54 Y HN 0.260 nan 8.280 nan 0.000 0.541 55 T N -0.917 113.723 114.554 0.143 0.000 2.821 55 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 55 T C 2.271 176.977 174.700 0.010 0.000 1.046 55 T CA 1.336 63.480 62.100 0.075 0.000 1.139 55 T CB -0.793 68.121 68.868 0.076 0.000 0.871 55 T HN 0.560 nan 8.240 nan 0.000 0.454 56 G N 1.233 110.048 108.800 0.024 0.000 2.408 56 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.217 56 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.217 56 G C 1.491 176.114 174.900 -0.461 0.000 1.150 56 G CA 0.335 45.404 45.100 -0.051 0.000 0.776 56 G HN 0.421 nan 8.290 nan 0.000 0.542 57 L N 1.478 122.423 121.223 -0.463 0.000 2.056 57 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 57 L C 3.342 180.054 176.870 -0.263 0.000 1.078 57 L CA 1.517 56.051 54.840 -0.511 0.000 0.749 57 L CB -0.473 41.385 42.059 -0.335 0.000 0.901 57 L HN 0.441 nan 8.230 nan 0.000 0.433 58 S N -0.049 115.577 115.700 -0.125 0.000 2.399 58 S HA -0.218 4.252 4.470 -0.000 0.000 0.231 58 S C 1.964 176.520 174.600 -0.074 0.000 1.022 58 S CA 0.916 59.081 58.200 -0.059 0.000 0.983 58 S CB -0.412 62.784 63.200 -0.006 0.000 0.803 58 S HN 0.380 nan 8.310 nan 0.000 0.480 59 R N 0.748 121.182 120.500 -0.111 0.000 2.307 59 R HA 0.240 4.580 4.340 -0.000 0.000 0.199 59 R C 1.301 177.529 176.300 -0.120 0.000 1.000 59 R CA 0.491 56.536 56.100 -0.091 0.000 1.023 59 R CB -0.029 30.227 30.300 -0.075 0.000 0.908 59 R HN 0.387 nan 8.270 nan 0.000 0.473 60 R N 0.039 120.428 120.500 -0.185 0.000 2.696 60 R HA 0.136 4.476 4.340 -0.000 0.000 0.355 60 R C -0.454 175.783 176.300 -0.104 0.000 1.138 60 R CA -0.145 55.849 56.100 -0.177 0.000 1.059 60 R CB 0.569 30.680 30.300 -0.314 0.000 1.380 60 R HN -0.067 nan 8.270 nan 0.000 0.578 61 Q N 0.508 120.274 119.800 -0.057 0.000 2.418 61 Q HA 0.414 4.754 4.340 -0.000 0.000 0.282 61 Q C -1.353 174.672 176.000 0.043 0.000 1.044 61 Q CA -0.843 54.960 55.803 0.000 0.000 0.813 61 Q CB 2.237 30.972 28.738 -0.004 0.000 1.428 61 Q HN 0.045 nan 8.270 nan 0.000 0.402 62 V N -0.346 119.633 119.914 0.109 0.000 2.960 62 V HA 1.118 5.238 4.120 -0.000 0.000 0.315 62 V C -0.124 176.129 176.094 0.264 0.000 1.087 62 V CA 0.037 62.437 62.300 0.166 0.000 0.982 62 V CB 1.527 33.450 31.823 0.167 0.000 1.039 62 V HN 0.894 nan 8.190 nan 0.000 0.437 63 G N 0.046 109.016 108.800 0.283 0.000 2.663 63 G HA2 0.492 4.452 3.960 -0.000 0.000 0.299 63 G HA3 0.492 4.452 3.960 -0.000 0.000 0.299 63 G C 0.037 175.036 174.900 0.165 0.000 1.372 63 G CA 0.079 45.262 45.100 0.137 0.000 0.781 63 G HN 0.897 nan 8.290 nan 0.000 0.491 64 V N 0.282 120.168 119.914 -0.046 0.000 2.392 64 V HA -0.136 3.984 4.120 -0.000 0.000 0.249 64 V C 2.451 178.628 176.094 0.139 0.000 1.059 64 V CA 2.488 64.832 62.300 0.073 0.000 1.051 64 V CB -0.471 31.355 31.823 0.005 0.000 0.658 64 V HN 0.666 nan 8.190 nan 0.000 0.455 65 D N 0.052 120.518 120.400 0.110 0.000 2.265 65 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 65 D C 2.198 178.556 176.300 0.097 0.000 0.977 65 D CA 1.858 55.926 54.000 0.115 0.000 0.871 65 D CB -0.039 40.816 40.800 0.091 0.000 0.925 65 D HN 0.702 nan 8.370 nan 0.000 0.485 66 T N -5.170 109.451 114.554 0.112 0.000 2.964 66 T HA 0.188 4.538 4.350 -0.000 0.000 0.249 66 T C 0.689 175.453 174.700 0.107 0.000 1.000 66 T CA -0.053 62.102 62.100 0.092 0.000 0.992 66 T CB 0.717 69.633 68.868 0.080 0.000 1.087 66 T HN -0.137 nan 8.240 nan 0.000 0.489 67 T N 1.801 116.458 114.554 0.172 0.000 2.900 67 T HA 0.535 4.885 4.350 -0.000 0.000 0.303 67 T C -1.722 173.145 174.700 0.278 0.000 1.142 67 T CA -0.708 61.498 62.100 0.177 0.000 1.007 67 T CB 1.810 70.733 68.868 0.090 0.000 1.156 67 T HN 0.164 nan 8.240 nan 0.000 0.490 68 F N 2.779 122.790 119.950 0.102 0.000 2.506 68 F HA 0.377 4.904 4.527 -0.000 0.000 0.371 68 F C -0.849 174.970 175.800 0.032 0.000 1.078 68 F CA -1.220 56.831 58.000 0.085 0.000 1.195 68 F CB -0.060 39.004 39.000 0.108 0.000 1.099 68 F HN 0.557 nan 8.300 nan 0.000 0.548 69 Y N 8.095 128.157 120.300 -0.397 0.000 2.747 69 Y HA 0.306 4.856 4.550 -0.000 0.000 0.362 69 Y C -1.864 173.630 175.900 -0.676 0.000 1.026 69 Y CA -2.285 55.495 58.100 -0.532 0.000 1.135 69 Y CB 0.515 38.726 38.460 -0.414 0.000 1.175 69 Y HN 0.423 nan 8.280 nan 0.000 0.643 70 P HA -0.034 nan 4.420 nan 0.000 0.262 70 P C -0.417 176.653 177.300 -0.383 0.000 1.647 70 P CA 0.083 62.721 63.100 -0.770 0.000 0.865 70 P CB -0.078 30.903 31.700 -1.199 0.000 1.834 71 L N 1.155 122.239 121.223 -0.232 0.000 2.485 71 L HA 0.274 4.614 4.340 -0.000 0.000 0.279 71 L C 1.459 178.255 176.870 -0.123 0.000 1.124 71 L CA 0.147 54.909 54.840 -0.130 0.000 0.888 71 L CB -0.305 41.706 42.059 -0.080 0.000 1.217 71 L HN 0.096 nan 8.230 nan 0.000 0.464 72 G N 1.878 110.607 108.800 -0.120 0.000 2.432 72 G HA2 0.278 4.238 3.960 -0.000 0.000 0.239 72 G HA3 0.278 4.238 3.960 -0.000 0.000 0.239 72 G C 0.776 175.664 174.900 -0.020 0.000 1.291 72 G CA 0.327 45.365 45.100 -0.104 0.000 0.863 72 G HN 0.777 nan 8.290 nan 0.000 0.560 73 S N -0.419 115.286 115.700 0.008 0.000 3.228 73 S HA -0.245 4.225 4.470 -0.000 0.000 0.282 73 S C 1.439 176.040 174.600 0.002 0.000 1.286 73 S CA 1.072 59.299 58.200 0.047 0.000 1.066 73 S CB -1.488 61.753 63.200 0.067 0.000 1.277 73 S HN 0.898 nan 8.310 nan 0.000 0.661 74 C N -0.098 119.197 119.300 -0.008 0.000 3.449 74 C HA 0.350 4.810 4.460 -0.000 0.000 0.404 74 C C 1.044 176.060 174.990 0.044 0.000 1.383 74 C CA 0.446 59.463 59.018 -0.002 0.000 1.936 74 C CB -0.340 27.346 27.740 -0.091 0.000 2.738 74 C HN 0.746 nan 8.230 nan 0.000 0.663 75 T N 2.807 117.370 114.554 0.015 0.000 3.357 75 T HA -0.157 4.193 4.350 -0.000 0.000 0.422 75 T C 0.045 174.766 174.700 0.035 0.000 0.768 75 T CA 0.631 62.751 62.100 0.033 0.000 2.153 75 T CB -0.852 68.032 68.868 0.026 0.000 1.688 75 T HN 0.396 nan 8.240 nan 0.000 0.659 76 M N 2.070 121.624 119.600 -0.076 0.000 3.596 76 M HA 0.120 4.600 4.480 -0.000 0.000 0.219 76 M C 0.992 177.284 176.300 -0.012 0.000 1.471 76 M CA 0.338 55.543 55.300 -0.158 0.000 1.644 76 M CB -0.856 31.570 32.600 -0.290 0.000 1.083 76 M HN 0.519 nan 8.290 nan 0.000 0.579 77 K N -0.274 120.152 120.400 0.043 0.000 2.098 77 K HA 0.263 4.583 4.320 -0.000 0.000 0.244 77 K C -0.282 176.369 176.600 0.085 0.000 1.014 77 K CA -0.783 55.546 56.287 0.070 0.000 0.917 77 K CB 0.801 33.324 32.500 0.038 0.000 1.072 77 K HN 0.121 nan 8.250 nan 0.000 0.477 78 Y N 1.696 121.994 120.300 -0.005 0.000 2.717 78 Y HA -0.021 4.529 4.550 -0.000 0.000 0.330 78 Y C -0.968 174.893 175.900 -0.065 0.000 1.217 78 Y CA -0.016 58.071 58.100 -0.020 0.000 1.506 78 Y CB 0.060 38.515 38.460 -0.008 0.000 1.268 78 Y HN 0.627 nan 8.280 nan 0.000 0.561 79 N N 8.348 126.649 118.700 -0.665 0.000 2.589 79 N HA 0.261 5.001 4.740 -0.000 0.000 0.232 79 N C -2.873 171.935 175.510 -1.170 0.000 1.015 79 N CA -1.585 51.066 53.050 -0.664 0.000 0.931 79 N CB 0.619 38.928 38.487 -0.297 0.000 1.150 79 N HN 0.405 nan 8.380 nan 0.000 0.512 80 P HA -0.061 nan 4.420 nan 0.000 0.262 80 P C 0.279 177.279 177.300 -0.501 0.000 1.182 80 P CA -0.117 62.390 63.100 -0.988 0.000 0.761 80 P CB 0.991 32.215 31.700 -0.793 0.000 0.795 81 K N 2.458 122.750 120.400 -0.179 0.000 2.211 81 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 81 K C 1.777 178.370 176.600 -0.013 0.000 1.047 81 K CA 0.862 57.123 56.287 -0.043 0.000 0.935 81 K CB -0.908 31.624 32.500 0.054 0.000 0.728 81 K HN 0.385 nan 8.250 nan 0.000 0.452 82 L N 1.048 122.258 121.223 -0.021 0.000 2.043 82 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 82 L C 2.007 178.990 176.870 0.187 0.000 1.075 82 L CA 1.895 56.785 54.840 0.084 0.000 0.752 82 L CB -0.551 41.579 42.059 0.119 0.000 0.891 82 L HN 0.317 nan 8.230 nan 0.000 0.432 83 H N -1.286 117.798 119.070 0.023 0.000 2.456 83 H HA -0.086 4.470 4.556 -0.000 0.000 0.296 83 H C 1.804 177.137 175.328 0.009 0.000 1.079 83 H CA 0.711 56.771 56.048 0.019 0.000 1.322 83 H CB 0.225 29.973 29.762 -0.023 0.000 1.388 83 H HN 0.420 nan 8.280 nan 0.000 0.538 84 E N 0.882 121.151 120.200 0.115 0.000 2.106 84 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 84 E C 2.144 178.787 176.600 0.072 0.000 0.984 84 E CA 0.758 57.197 56.400 0.064 0.000 0.806 84 E CB -0.026 29.692 29.700 0.031 0.000 0.750 84 E HN 0.478 nan 8.360 nan 0.000 0.458 85 E N 1.272 121.523 120.200 0.084 0.000 2.072 85 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 85 E C 1.895 178.559 176.600 0.107 0.000 0.985 85 E CA 1.380 57.829 56.400 0.082 0.000 0.801 85 E CB -0.312 29.436 29.700 0.080 0.000 0.750 85 E HN 0.135 nan 8.360 nan 0.000 0.452 86 A N 1.027 123.931 122.820 0.141 0.000 1.908 86 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 86 A C 2.485 180.189 177.584 0.201 0.000 1.181 86 A CA 2.401 54.543 52.037 0.175 0.000 0.627 86 A CB -1.166 17.935 19.000 0.169 0.000 0.818 86 A HN 0.407 nan 8.150 nan 0.000 0.445 87 A N 0.712 123.605 122.820 0.122 0.000 1.877 87 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 87 A C 2.202 179.885 177.584 0.164 0.000 1.186 87 A CA 1.979 54.079 52.037 0.106 0.000 0.620 87 A CB -0.583 18.435 19.000 0.030 0.000 0.822 87 A HN 0.731 nan 8.150 nan 0.000 0.443 88 R N -0.840 119.725 120.500 0.107 0.000 2.200 88 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 88 R C 1.287 177.623 176.300 0.061 0.000 1.127 88 R CA 1.498 57.643 56.100 0.075 0.000 0.989 88 R CB -0.591 29.735 30.300 0.043 0.000 0.869 88 R HN 0.292 nan 8.270 nan 0.000 0.459 89 L N 0.127 121.392 121.223 0.070 0.000 2.353 89 L HA 0.002 4.342 4.340 -0.000 0.000 0.220 89 L C 0.714 177.379 176.870 -0.342 0.000 1.133 89 L CA 1.431 56.193 54.840 -0.130 0.000 0.798 89 L CB -0.395 41.559 42.059 -0.175 0.000 0.922 89 L HN 0.220 nan 8.230 nan 0.000 0.445 90 F N -2.260 117.717 119.950 0.045 0.000 2.764 90 F HA 0.369 4.896 4.527 -0.000 0.000 0.310 90 F C 1.734 177.586 175.800 0.087 0.000 1.124 90 F CA 0.149 58.213 58.000 0.106 0.000 1.252 90 F CB -0.734 38.446 39.000 0.300 0.000 1.010 90 F HN -0.077 nan 8.300 nan 0.000 0.518 91 A N -0.619 122.294 122.820 0.156 0.000 1.902 91 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 91 A C 1.154 178.767 177.584 0.047 0.000 1.181 91 A CA 1.523 53.615 52.037 0.091 0.000 0.623 91 A CB -0.373 18.655 19.000 0.047 0.000 0.818 91 A HN 0.123 nan 8.150 nan 0.000 0.443 92 D N 0.387 120.800 120.400 0.022 0.000 2.896 92 D HA 0.420 5.060 4.640 -0.000 0.000 0.240 92 D C -0.774 175.527 176.300 0.001 0.000 1.193 92 D CA 0.372 54.373 54.000 0.002 0.000 0.983 92 D CB 0.069 40.863 40.800 -0.009 0.000 1.074 92 D HN 0.280 nan 8.370 nan 0.000 0.496 93 L N 0.631 121.851 121.223 -0.004 0.000 2.386 93 L HA 0.280 4.620 4.340 -0.000 0.000 0.271 93 L C -0.138 176.696 176.870 -0.060 0.000 0.993 93 L CA -0.859 53.967 54.840 -0.023 0.000 0.819 93 L CB 2.863 44.890 42.059 -0.054 0.000 1.294 93 L HN 0.163 nan 8.230 nan 0.000 0.414 94 H N 5.171 124.171 119.070 -0.117 0.000 2.467 94 H HA 0.282 4.838 4.556 -0.000 0.000 0.326 94 H C -1.935 173.279 175.328 -0.190 0.000 1.094 94 H CA -1.836 54.111 56.048 -0.168 0.000 1.253 94 H CB 2.435 32.139 29.762 -0.096 0.000 1.439 94 H HN 0.362 nan 8.280 nan 0.000 0.479 95 P HA -0.154 nan 4.420 nan 0.000 0.221 95 P C 0.103 177.487 177.300 0.140 0.000 1.145 95 P CA 1.156 64.080 63.100 -0.293 0.000 0.795 95 P CB 0.181 31.257 31.700 -1.039 0.000 0.775 96 Y N 0.111 120.702 120.300 0.485 0.000 2.607 96 Y HA 0.208 4.758 4.550 -0.000 0.000 0.266 96 Y C 1.477 177.470 175.900 0.155 0.000 1.178 96 Y CA -1.370 56.929 58.100 0.331 0.000 1.226 96 Y CB -0.907 37.730 38.460 0.296 0.000 1.144 96 Y HN 0.166 nan 8.280 nan 0.000 0.528 97 Q N -0.435 119.523 119.800 0.263 0.000 2.368 97 Q HA 0.098 4.438 4.340 -0.000 0.000 0.237 97 Q C -0.219 175.842 176.000 0.101 0.000 0.987 97 Q CA -0.769 55.096 55.803 0.103 0.000 0.896 97 Q CB 0.858 29.636 28.738 0.066 0.000 1.241 97 Q HN 0.085 nan 8.270 nan 0.000 0.485 98 D N 2.761 123.195 120.400 0.056 0.000 2.570 98 D HA -0.064 4.576 4.640 -0.000 0.000 0.243 98 D C -1.298 175.033 176.300 0.053 0.000 1.171 98 D CA -1.286 52.743 54.000 0.049 0.000 0.879 98 D CB 0.993 41.807 40.800 0.024 0.000 1.143 98 D HN 0.423 nan 8.370 nan 0.000 0.511 99 P HA -0.165 nan 4.420 nan 0.000 0.220 99 P C 1.043 178.371 177.300 0.048 0.000 1.144 99 P CA 0.887 64.022 63.100 0.058 0.000 0.800 99 P CB 0.222 31.969 31.700 0.078 0.000 0.772 100 R N -0.153 120.370 120.500 0.038 0.000 2.280 100 R HA -0.009 4.331 4.340 -0.000 0.000 0.207 100 R C 1.749 178.065 176.300 0.026 0.000 1.043 100 R CA 1.627 57.745 56.100 0.030 0.000 1.006 100 R CB -0.575 29.734 30.300 0.016 0.000 0.885 100 R HN 0.340 nan 8.270 nan 0.000 0.467 101 T N -4.062 110.505 114.554 0.023 0.000 3.092 101 T HA 0.350 4.700 4.350 -0.000 0.000 0.258 101 T C 0.782 175.489 174.700 0.011 0.000 1.031 101 T CA 0.078 62.186 62.100 0.014 0.000 0.925 101 T CB 1.072 69.945 68.868 0.009 0.000 1.036 101 T HN 0.073 nan 8.240 nan 0.000 0.544 102 A N 0.554 123.383 122.820 0.015 0.000 2.610 102 A HA 0.397 4.717 4.320 -0.000 0.000 0.290 102 A C 1.702 179.289 177.584 0.004 0.000 1.001 102 A CA -0.440 51.594 52.037 -0.005 0.000 1.004 102 A CB 0.119 19.099 19.000 -0.033 0.000 1.220 102 A HN 0.200 nan 8.150 nan 0.000 0.507 103 Q N -0.100 119.726 119.800 0.043 0.000 2.224 103 Q HA -0.108 4.232 4.340 -0.000 0.000 0.203 103 Q C 1.973 178.001 176.000 0.047 0.000 0.970 103 Q CA 1.668 57.523 55.803 0.087 0.000 0.865 103 Q CB -0.283 28.532 28.738 0.128 0.000 0.922 103 Q HN 0.694 nan 8.270 nan 0.000 0.445 104 G N 0.650 109.480 108.800 0.050 0.000 2.402 104 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 104 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 104 G C 1.551 176.491 174.900 0.067 0.000 1.162 104 G CA 1.027 46.171 45.100 0.074 0.000 0.777 104 G HN 0.447 nan 8.290 nan 0.000 0.539 105 A N 0.447 123.309 122.820 0.070 0.000 1.873 105 A HA 0.104 4.424 4.320 -0.000 0.000 0.215 105 A C 2.339 179.851 177.584 -0.120 0.000 1.186 105 A CA 1.300 53.314 52.037 -0.039 0.000 0.616 105 A CB -0.437 18.335 19.000 -0.380 0.000 0.823 105 A HN 0.276 nan 8.150 nan 0.000 0.442 106 L N -0.074 121.055 121.223 -0.157 0.000 2.046 106 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 106 L C 2.542 179.157 176.870 -0.424 0.000 1.077 106 L CA 2.136 56.861 54.840 -0.191 0.000 0.747 106 L CB -1.126 40.890 42.059 -0.071 0.000 0.896 106 L HN 0.573 nan 8.230 nan 0.000 0.432 107 R N -0.364 119.766 120.500 -0.617 0.000 2.075 107 R HA -0.175 4.165 4.340 -0.000 0.000 0.232 107 R C 2.433 178.470 176.300 -0.438 0.000 1.126 107 R CA 1.450 56.924 56.100 -1.044 0.000 0.963 107 R CB -0.402 29.527 30.300 -0.617 0.000 0.858 107 R HN 0.342 nan 8.270 nan 0.000 0.435 108 L N 0.578 121.608 121.223 -0.322 0.000 2.042 108 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 108 L C 2.432 179.164 176.870 -0.229 0.000 1.076 108 L CA 1.626 56.220 54.840 -0.411 0.000 0.749 108 L CB -0.132 41.537 42.059 -0.650 0.000 0.893 108 L HN 0.341 nan 8.230 nan 0.000 0.432 109 M N -1.832 117.692 119.600 -0.126 0.000 2.086 109 M HA -0.274 4.206 4.480 -0.000 0.000 0.261 109 M C 2.112 178.352 176.300 -0.100 0.000 1.067 109 M CA 2.332 57.593 55.300 -0.066 0.000 1.116 109 M CB -0.661 31.942 32.600 0.005 0.000 1.348 109 M HN 0.505 nan 8.290 nan 0.000 0.407 110 W N 1.697 122.818 121.300 -0.299 0.000 2.358 110 W HA -0.182 4.478 4.660 -0.000 0.000 0.303 110 W C 2.025 178.382 176.519 -0.270 0.000 1.208 110 W CA 1.767 58.963 57.345 -0.249 0.000 1.274 110 W CB -0.178 29.132 29.460 -0.249 0.000 1.138 110 W HN 0.206 nan 8.180 nan 0.000 0.515 111 E N -0.082 119.985 120.200 -0.221 0.000 2.051 111 E HA -0.277 4.073 4.350 -0.000 0.000 0.192 111 E C 2.043 177.967 176.600 -1.126 0.000 0.991 111 E CA 1.569 57.603 56.400 -0.609 0.000 0.799 111 E CB -0.769 28.888 29.700 -0.072 0.000 0.748 111 E HN 0.258 nan 8.360 nan 0.000 0.449 112 L N 0.963 121.890 121.223 -0.494 0.000 2.042 112 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 112 L C 2.224 178.852 176.870 -0.404 0.000 1.076 112 L CA 2.292 56.932 54.840 -0.333 0.000 0.749 112 L CB -0.949 41.059 42.059 -0.084 0.000 0.893 112 L HN 0.104 nan 8.230 nan 0.000 0.432 113 G N -1.090 107.466 108.800 -0.407 0.000 2.440 113 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 113 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 113 G C 1.418 176.055 174.900 -0.438 0.000 1.154 113 G CA 0.761 45.641 45.100 -0.368 0.000 0.767 113 G HN 0.447 nan 8.290 nan 0.000 0.552 114 E N 0.330 120.117 120.200 -0.688 0.000 2.072 114 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 114 E C 2.298 178.728 176.600 -0.283 0.000 0.985 114 E CA 0.796 56.836 56.400 -0.600 0.000 0.801 114 E CB -0.450 28.711 29.700 -0.898 0.000 0.750 114 E HN 0.562 nan 8.360 nan 0.000 0.452 115 Y N 0.870 121.006 120.300 -0.273 0.000 2.181 115 Y HA -0.085 4.465 4.550 -0.000 0.000 0.288 115 Y C 2.479 178.267 175.900 -0.186 0.000 1.146 115 Y CA 0.444 58.416 58.100 -0.214 0.000 1.164 115 Y CB -1.030 37.297 38.460 -0.222 0.000 0.982 115 Y HN -0.025 nan 8.280 nan 0.000 0.515 116 L N -0.285 120.892 121.223 -0.077 0.000 2.093 116 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 116 L C 2.269 179.085 176.870 -0.089 0.000 1.085 116 L CA 1.307 56.078 54.840 -0.116 0.000 0.755 116 L CB -0.494 41.449 42.059 -0.194 0.000 0.904 116 L HN 0.136 nan 8.230 nan 0.000 0.435 117 K N 0.189 120.519 120.400 -0.118 0.000 2.148 117 K HA -0.079 4.241 4.320 -0.000 0.000 0.204 117 K C 2.242 178.798 176.600 -0.073 0.000 1.050 117 K CA 1.152 57.378 56.287 -0.102 0.000 0.942 117 K CB -0.126 32.296 32.500 -0.130 0.000 0.724 117 K HN 0.258 nan 8.250 nan 0.000 0.446 118 A N 1.261 124.044 122.820 -0.061 0.000 1.898 118 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 118 A C 2.037 179.599 177.584 -0.037 0.000 1.181 118 A CA 1.129 53.141 52.037 -0.042 0.000 0.620 118 A CB -0.473 18.512 19.000 -0.025 0.000 0.819 118 A HN 0.149 nan 8.150 nan 0.000 0.442 119 L N -0.198 121.013 121.223 -0.021 0.000 2.217 119 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 119 L C 2.591 179.449 176.870 -0.019 0.000 1.107 119 L CA 1.608 56.447 54.840 -0.002 0.000 0.783 119 L CB -0.272 41.828 42.059 0.069 0.000 0.919 119 L HN 0.653 nan 8.230 nan 0.000 0.442 120 T N -5.163 109.365 114.554 -0.043 0.000 3.014 120 T HA 0.248 4.598 4.350 -0.000 0.000 0.250 120 T C 1.408 176.052 174.700 -0.092 0.000 1.060 120 T CA 0.428 62.475 62.100 -0.089 0.000 1.040 120 T CB 0.709 69.519 68.868 -0.096 0.000 0.971 120 T HN 0.324 nan 8.240 nan 0.000 0.497 121 G N 1.955 110.718 108.800 -0.063 0.000 2.160 121 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.244 121 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.244 121 G C -0.029 174.845 174.900 -0.043 0.000 1.022 121 G CA 0.169 45.241 45.100 -0.047 0.000 0.741 121 G HN 0.438 nan 8.290 nan 0.000 0.508 122 M N -0.065 119.502 119.600 -0.055 0.000 2.471 122 M HA 0.409 4.889 4.480 -0.000 0.000 0.309 122 M C 0.902 177.173 176.300 -0.048 0.000 1.186 122 M CA -0.544 54.725 55.300 -0.052 0.000 1.008 122 M CB 0.877 33.437 32.600 -0.066 0.000 1.551 122 M HN 0.015 nan 8.290 nan 0.000 0.477 123 D N 0.368 120.743 120.400 -0.041 0.000 2.323 123 D HA 0.269 4.909 4.640 -0.000 0.000 0.218 123 D C 0.114 176.387 176.300 -0.045 0.000 0.973 123 D CA 0.633 54.613 54.000 -0.034 0.000 0.890 123 D CB 0.620 41.411 40.800 -0.014 0.000 1.011 123 D HN 0.583 nan 8.370 nan 0.000 0.499 124 A N 0.324 123.111 122.820 -0.055 0.000 2.454 124 A HA 0.745 5.065 4.320 -0.000 0.000 0.302 124 A C -1.180 176.363 177.584 -0.068 0.000 1.079 124 A CA -0.554 51.448 52.037 -0.059 0.000 0.731 124 A CB 2.105 21.074 19.000 -0.051 0.000 1.299 124 A HN 0.102 nan 8.150 nan 0.000 0.413 125 I N 0.094 120.618 120.570 -0.076 0.000 2.841 125 I HA 0.602 4.772 4.170 -0.000 0.000 0.298 125 I C -0.831 175.245 176.117 -0.068 0.000 1.304 125 I CA -0.147 61.108 61.300 -0.075 0.000 1.019 125 I CB 2.491 40.430 38.000 -0.102 0.000 1.282 125 I HN 0.717 nan 8.210 nan 0.000 0.432 126 T N 6.332 120.856 114.554 -0.050 0.000 2.829 126 T HA 0.536 4.886 4.350 -0.000 0.000 0.280 126 T C 0.160 174.841 174.700 -0.032 0.000 0.999 126 T CA -0.492 61.584 62.100 -0.039 0.000 0.983 126 T CB 1.043 69.896 68.868 -0.026 0.000 0.968 126 T HN 0.532 nan 8.240 nan 0.000 0.446 127 L N 3.754 124.963 121.223 -0.023 0.000 2.700 127 L HA 0.378 4.718 4.340 -0.000 0.000 0.234 127 L C 2.136 179.022 176.870 0.027 0.000 1.156 127 L CA -0.065 54.768 54.840 -0.012 0.000 0.946 127 L CB 0.009 42.054 42.059 -0.023 0.000 1.216 127 L HN 0.736 nan 8.230 nan 0.000 0.493 128 E N 1.708 121.927 120.200 0.032 0.000 2.046 128 E HA -0.021 4.329 4.350 -0.000 0.000 0.190 128 E C -1.362 175.277 176.600 0.065 0.000 0.982 128 E CA 0.000 56.435 56.400 0.058 0.000 0.800 128 E CB -0.393 29.336 29.700 0.049 0.000 0.756 128 E HN 0.204 nan 8.360 nan 0.000 0.449 129 P HA -0.106 nan 4.420 nan 0.000 0.263 129 P C -0.556 176.857 177.300 0.190 0.000 1.175 129 P CA 0.658 63.803 63.100 0.076 0.000 0.761 129 P CB 1.233 32.892 31.700 -0.070 0.000 0.794 130 A N 2.439 125.474 122.820 0.359 0.000 2.208 130 A HA 0.436 4.756 4.320 -0.000 0.000 0.209 130 A C 0.912 178.485 177.584 -0.018 0.000 1.161 130 A CA 1.218 53.305 52.037 0.082 0.000 0.782 130 A CB -0.330 18.645 19.000 -0.043 0.000 0.816 130 A HN 0.792 nan 8.150 nan 0.000 0.477 131 A N -3.448 119.405 122.820 0.055 0.000 2.515 131 A HA 0.531 4.851 4.320 -0.000 0.000 0.292 131 A C 1.020 178.642 177.584 0.064 0.000 1.065 131 A CA 0.102 52.149 52.037 0.016 0.000 0.641 131 A CB -0.661 18.298 19.000 -0.067 0.000 1.306 131 A HN 0.805 nan 8.150 nan 0.000 0.441 132 G N 0.049 108.904 108.800 0.093 0.000 2.459 132 G HA2 0.101 4.061 3.960 -0.000 0.000 0.217 132 G HA3 0.101 4.061 3.960 -0.000 0.000 0.217 132 G C 1.639 176.285 174.900 -0.423 0.000 1.183 132 G CA 2.153 47.132 45.100 -0.202 0.000 0.776 132 G HN 1.920 nan 8.290 nan 0.000 0.552 133 A N -0.345 122.383 122.820 -0.153 0.000 1.940 133 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 133 A C 2.092 179.666 177.584 -0.017 0.000 1.176 133 A CA 1.947 53.934 52.037 -0.084 0.000 0.631 133 A CB -0.817 18.183 19.000 -0.000 0.000 0.814 133 A HN 0.635 nan 8.150 nan 0.000 0.446 134 H N -1.031 117.975 119.070 -0.106 0.000 2.389 134 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 134 H C 2.294 177.585 175.328 -0.063 0.000 1.081 134 H CA 0.799 56.807 56.048 -0.067 0.000 1.345 134 H CB -0.037 29.695 29.762 -0.050 0.000 1.393 134 H HN 0.504 nan 8.280 nan 0.000 0.520 135 G N 0.238 108.997 108.800 -0.068 0.000 2.408 135 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 135 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 135 G C 1.481 176.385 174.900 0.006 0.000 1.150 135 G CA 0.568 45.629 45.100 -0.065 0.000 0.776 135 G HN 0.469 nan 8.290 nan 0.000 0.542 136 E N -0.358 119.783 120.200 -0.098 0.000 2.051 136 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 136 E C 2.371 178.916 176.600 -0.091 0.000 0.991 136 E CA 0.926 57.281 56.400 -0.074 0.000 0.799 136 E CB -0.201 29.413 29.700 -0.144 0.000 0.748 136 E HN 0.337 nan 8.360 nan 0.000 0.449 137 L N 1.023 122.216 121.223 -0.051 0.000 2.046 137 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 137 L C 2.197 179.051 176.870 -0.027 0.000 1.077 137 L CA 1.932 56.757 54.840 -0.025 0.000 0.747 137 L CB -0.740 41.330 42.059 0.018 0.000 0.896 137 L HN 0.047 nan 8.230 nan 0.000 0.432 138 T N -0.516 114.001 114.554 -0.061 0.000 2.684 138 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 138 T C 1.680 176.410 174.700 0.050 0.000 1.036 138 T CA 1.415 63.487 62.100 -0.046 0.000 1.148 138 T CB -0.968 67.841 68.868 -0.097 0.000 0.863 138 T HN 0.595 nan 8.240 nan 0.000 0.436 139 G N 1.494 110.376 108.800 0.136 0.000 2.402 139 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 139 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 139 G C 1.450 176.457 174.900 0.178 0.000 1.162 139 G CA 0.320 45.575 45.100 0.258 0.000 0.777 139 G HN 0.375 nan 8.290 nan 0.000 0.539 140 I N 0.407 121.016 120.570 0.064 0.000 2.315 140 I HA -0.022 4.148 4.170 -0.000 0.000 0.248 140 I C 2.555 178.756 176.117 0.140 0.000 1.117 140 I CA 0.609 61.959 61.300 0.084 0.000 1.404 140 I CB -0.844 37.178 38.000 0.036 0.000 1.071 140 I HN 0.067 nan 8.210 nan 0.000 0.419 141 L N 0.400 121.668 121.223 0.075 0.000 2.141 141 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 141 L C 2.397 179.298 176.870 0.051 0.000 1.094 141 L CA 1.472 56.340 54.840 0.045 0.000 0.763 141 L CB -0.708 41.362 42.059 0.018 0.000 0.908 141 L HN 0.124 nan 8.230 nan 0.000 0.437 142 I N -1.222 119.391 120.570 0.072 0.000 2.252 142 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 142 I C 2.308 178.425 176.117 0.000 0.000 1.102 142 I CA 1.152 62.498 61.300 0.077 0.000 1.385 142 I CB -0.084 37.982 38.000 0.110 0.000 1.064 142 I HN 0.148 nan 8.210 nan 0.000 0.414 143 I N 0.340 120.937 120.570 0.044 0.000 2.226 143 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 143 I C 2.758 178.903 176.117 0.046 0.000 1.100 143 I CA 1.256 62.563 61.300 0.011 0.000 1.374 143 I CB -0.408 37.653 38.000 0.101 0.000 1.057 143 I HN 0.213 nan 8.210 nan 0.000 0.413 144 R N 1.378 121.979 120.500 0.168 0.000 2.081 144 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 144 R C 2.349 178.657 176.300 0.013 0.000 1.131 144 R CA 1.655 57.875 56.100 0.200 0.000 0.960 144 R CB -0.264 30.076 30.300 0.067 0.000 0.856 144 R HN 0.337 nan 8.270 nan 0.000 0.436 145 A N 0.039 122.791 122.820 -0.114 0.000 1.933 145 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 145 A C 1.988 179.220 177.584 -0.587 0.000 1.175 145 A CA 1.296 53.169 52.037 -0.274 0.000 0.628 145 A CB -0.818 18.039 19.000 -0.240 0.000 0.814 145 A HN 0.649 nan 8.150 nan 0.000 0.444 146 Y N 0.233 120.024 120.300 -0.849 0.000 2.145 146 Y HA -0.246 4.304 4.550 -0.000 0.000 0.286 146 Y C 2.516 178.226 175.900 -0.317 0.000 1.145 146 Y CA 2.237 59.868 58.100 -0.781 0.000 1.148 146 Y CB -0.430 37.714 38.460 -0.527 0.000 0.981 146 Y HN 0.475 nan 8.280 nan 0.000 0.507 147 H N 0.352 119.347 119.070 -0.126 0.000 2.357 147 H HA -0.095 4.461 4.556 -0.000 0.000 0.301 147 H C 2.036 177.283 175.328 -0.134 0.000 1.082 147 H CA 1.775 57.737 56.048 -0.143 0.000 1.342 147 H CB -0.258 29.528 29.762 0.041 0.000 1.389 147 H HN 0.579 nan 8.280 nan 0.000 0.511 148 E N 0.272 120.483 120.200 0.018 0.000 2.077 148 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 148 E C 1.781 178.361 176.600 -0.033 0.000 0.989 148 E CA 1.095 57.493 56.400 -0.004 0.000 0.800 148 E CB 0.012 29.706 29.700 -0.011 0.000 0.746 148 E HN 0.315 nan 8.360 nan 0.000 0.452 149 D N 0.521 120.874 120.400 -0.079 0.000 2.218 149 D HA -0.116 4.524 4.640 -0.000 0.000 0.204 149 D C 1.430 177.703 176.300 -0.044 0.000 0.976 149 D CA 0.803 54.791 54.000 -0.020 0.000 0.853 149 D CB 0.165 41.004 40.800 0.064 0.000 0.939 149 D HN 0.017 nan 8.370 nan 0.000 0.481 150 R N -1.059 119.367 120.500 -0.123 0.000 2.317 150 R HA 0.261 4.601 4.340 -0.000 0.000 0.208 150 R C 1.338 177.610 176.300 -0.047 0.000 0.914 150 R CA 0.612 56.644 56.100 -0.113 0.000 1.060 150 R CB 0.416 30.579 30.300 -0.228 0.000 1.015 150 R HN 0.179 nan 8.270 nan 0.000 0.498 151 G N 1.935 110.720 108.800 -0.026 0.000 2.143 151 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.249 151 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.249 151 G C 0.262 175.162 174.900 0.000 0.000 0.981 151 G CA 0.163 45.259 45.100 -0.006 0.000 0.665 151 G HN 0.479 nan 8.290 nan 0.000 0.528 152 E N -0.171 120.032 120.200 0.005 0.000 2.651 152 E HA 0.340 4.689 4.350 -0.000 0.000 0.208 152 E C 2.095 178.708 176.600 0.022 0.000 0.997 152 E CA 0.117 56.519 56.400 0.004 0.000 1.020 152 E CB 0.399 30.089 29.700 -0.017 0.000 1.052 152 E HN 0.376 nan 8.360 nan 0.000 0.465 153 G N 1.585 110.408 108.800 0.038 0.000 2.462 153 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 153 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 153 G C 1.660 176.587 174.900 0.045 0.000 1.121 153 G CA 0.365 45.498 45.100 0.055 0.000 0.758 153 G HN 0.125 nan 8.290 nan 0.000 0.559 154 R N -0.282 120.236 120.500 0.029 0.000 2.173 154 R HA 0.023 4.363 4.340 -0.000 0.000 0.208 154 R C 2.885 179.206 176.300 0.035 0.000 1.035 154 R CA 1.459 57.576 56.100 0.028 0.000 1.004 154 R CB -0.158 30.153 30.300 0.018 0.000 0.917 154 R HN 0.521 nan 8.270 nan 0.000 0.462 155 T N -1.031 113.538 114.554 0.025 0.000 2.939 155 T HA 0.092 4.442 4.350 -0.000 0.000 0.254 155 T C 1.114 175.829 174.700 0.025 0.000 1.041 155 T CA 0.080 62.195 62.100 0.026 0.000 1.142 155 T CB 0.072 68.947 68.868 0.012 0.000 0.874 155 T HN -0.106 nan 8.240 nan 0.000 0.452 156 R N 2.466 122.951 120.500 -0.025 0.000 2.387 156 R HA 0.289 4.629 4.340 -0.000 0.000 0.321 156 R C 0.558 176.917 176.300 0.098 0.000 1.174 156 R CA 0.039 56.084 56.100 -0.092 0.000 1.002 156 R CB -0.005 30.083 30.300 -0.354 0.000 1.028 156 R HN 0.460 nan 8.270 nan 0.000 0.482 157 R N 0.530 121.085 120.500 0.091 0.000 2.531 157 R HA 0.212 4.552 4.340 -0.000 0.000 0.316 157 R C -0.064 176.324 176.300 0.147 0.000 0.955 157 R CA 0.013 56.249 56.100 0.227 0.000 1.120 157 R CB 1.085 31.483 30.300 0.163 0.000 1.361 157 R HN 0.104 nan 8.270 nan 0.000 0.534 158 V N 1.655 121.523 119.914 -0.076 0.000 2.604 158 V HA 0.388 4.508 4.120 -0.000 0.000 0.305 158 V C -0.100 175.820 176.094 -0.291 0.000 1.043 158 V CA -0.869 61.355 62.300 -0.125 0.000 0.888 158 V CB 2.677 34.471 31.823 -0.049 0.000 0.995 158 V HN -0.234 nan 8.190 nan 0.000 0.429 159 V N 5.796 125.569 119.914 -0.235 0.000 2.417 159 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 159 V C -0.199 175.837 176.094 -0.096 0.000 1.024 159 V CA -0.500 61.670 62.300 -0.217 0.000 0.861 159 V CB 1.665 33.375 31.823 -0.188 0.000 0.985 159 V HN 0.623 nan 8.190 nan 0.000 0.436 160 L N 6.005 127.183 121.223 -0.075 0.000 2.307 160 L HA 0.785 5.125 4.340 -0.000 0.000 0.282 160 L C -0.327 176.542 176.870 -0.001 0.000 1.051 160 L CA -0.715 54.105 54.840 -0.032 0.000 0.804 160 L CB 1.714 43.752 42.059 -0.035 0.000 1.197 160 L HN 0.593 nan 8.230 nan 0.000 0.431 161 V N 1.154 121.076 119.914 0.012 0.000 2.925 161 V HA 0.695 4.815 4.120 -0.000 0.000 0.311 161 V C -2.680 173.430 176.094 0.028 0.000 1.104 161 V CA -2.118 60.201 62.300 0.032 0.000 0.954 161 V CB 1.989 33.836 31.823 0.039 0.000 1.022 161 V HN 0.512 nan 8.190 nan 0.000 0.427 162 P HA 0.254 nan 4.420 nan 0.000 0.274 162 P C -0.172 177.131 177.300 0.006 0.000 1.237 162 P CA 0.109 63.216 63.100 0.011 0.000 0.793 162 P CB 0.970 32.673 31.700 0.004 0.000 0.977 163 D N -0.273 120.119 120.400 -0.012 0.000 2.263 163 D HA -0.150 4.490 4.640 -0.000 0.000 0.208 163 D C 1.266 177.536 176.300 -0.049 0.000 0.971 163 D CA 1.369 55.358 54.000 -0.019 0.000 0.867 163 D CB -1.012 39.776 40.800 -0.021 0.000 0.929 163 D HN 0.343 nan 8.370 nan 0.000 0.492 164 S N -1.041 114.616 115.700 -0.072 0.000 2.605 164 S HA 0.474 4.944 4.470 -0.000 0.000 0.217 164 S C 0.996 175.568 174.600 -0.046 0.000 0.958 164 S CA -0.330 57.788 58.200 -0.137 0.000 0.919 164 S CB -0.276 62.829 63.200 -0.159 0.000 0.780 164 S HN 0.459 nan 8.310 nan 0.000 0.507 165 A N 2.440 125.292 122.820 0.054 0.000 2.425 165 A HA 0.254 4.574 4.320 -0.000 0.000 0.242 165 A C 0.414 178.214 177.584 0.359 0.000 1.077 165 A CA -0.307 51.834 52.037 0.173 0.000 0.781 165 A CB -0.163 18.914 19.000 0.128 0.000 1.020 165 A HN 0.633 nan 8.150 nan 0.000 0.494 166 H N 1.018 120.287 119.070 0.332 0.000 2.815 166 H HA 0.107 4.663 4.556 -0.000 0.000 0.350 166 H C 1.574 177.002 175.328 0.168 0.000 1.080 166 H CA 0.882 57.113 56.048 0.306 0.000 1.433 166 H CB 1.034 30.853 29.762 0.095 0.000 1.432 166 H HN 0.692 nan 8.280 nan 0.000 0.592 167 G N 2.481 111.090 108.800 -0.319 0.000 2.485 167 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.221 167 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.221 167 G C 1.702 176.593 174.900 -0.015 0.000 1.115 167 G CA 1.022 46.034 45.100 -0.147 0.000 0.751 167 G HN 0.680 nan 8.290 nan 0.000 0.567 168 S N 0.569 116.357 115.700 0.146 0.000 2.419 168 S HA -0.132 4.338 4.470 -0.000 0.000 0.233 168 S C 1.879 176.554 174.600 0.125 0.000 1.016 168 S CA 1.342 59.663 58.200 0.202 0.000 0.974 168 S CB -0.567 62.820 63.200 0.313 0.000 0.786 168 S HN 0.648 nan 8.310 nan 0.000 0.492 169 N N 2.948 121.734 118.700 0.144 0.000 2.028 169 N HA -0.050 4.690 4.740 -0.000 0.000 0.194 169 N C -0.897 174.636 175.510 0.038 0.000 1.050 169 N CA 1.562 54.655 53.050 0.071 0.000 0.848 169 N CB -0.927 37.617 38.487 0.096 0.000 1.038 169 N HN 0.457 nan 8.380 nan 0.000 0.423 170 P HA -0.081 nan 4.420 nan 0.000 0.218 170 P C 0.918 178.240 177.300 0.036 0.000 1.149 170 P CA 1.324 64.447 63.100 0.038 0.000 0.817 170 P CB 0.049 31.773 31.700 0.039 0.000 0.785 171 A N 0.058 122.899 122.820 0.035 0.000 1.902 171 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 171 A C 2.368 179.970 177.584 0.030 0.000 1.181 171 A CA 2.338 54.393 52.037 0.030 0.000 0.623 171 A CB -1.910 17.107 19.000 0.028 0.000 0.818 171 A HN 0.177 nan 8.150 nan 0.000 0.443 172 T N 0.353 114.922 114.554 0.025 0.000 2.746 172 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 172 T C 2.241 176.962 174.700 0.035 0.000 1.039 172 T CA 1.617 63.725 62.100 0.013 0.000 1.142 172 T CB -0.504 68.347 68.868 -0.029 0.000 0.866 172 T HN 0.617 nan 8.240 nan 0.000 0.444 173 A N 1.447 124.297 122.820 0.051 0.000 1.917 173 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 173 A C 2.608 180.264 177.584 0.120 0.000 1.182 173 A CA 2.228 54.337 52.037 0.121 0.000 0.633 173 A CB -0.949 18.108 19.000 0.096 0.000 0.819 173 A HN 0.468 nan 8.150 nan 0.000 0.448 174 S N -0.466 115.276 115.700 0.070 0.000 2.368 174 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 174 S C 1.963 176.579 174.600 0.025 0.000 1.029 174 S CA 1.720 59.950 58.200 0.049 0.000 0.988 174 S CB -0.412 62.809 63.200 0.035 0.000 0.838 174 S HN 0.582 nan 8.310 nan 0.000 0.462 175 M N 0.964 120.578 119.600 0.023 0.000 2.267 175 M HA -0.064 4.416 4.480 -0.000 0.000 0.263 175 M C 1.902 178.197 176.300 -0.009 0.000 1.063 175 M CA 1.142 56.447 55.300 0.010 0.000 1.090 175 M CB -0.380 32.231 32.600 0.017 0.000 1.392 175 M HN 0.348 nan 8.290 nan 0.000 0.422 176 A N -0.468 122.346 122.820 -0.010 0.000 2.307 176 A HA 0.449 4.769 4.320 -0.000 0.000 0.218 176 A C 1.525 178.982 177.584 -0.211 0.000 1.228 176 A CA 0.554 52.545 52.037 -0.077 0.000 0.857 176 A CB -0.559 18.437 19.000 -0.007 0.000 0.897 176 A HN 0.612 nan 8.150 nan 0.000 0.495 177 G N -1.893 106.836 108.800 -0.118 0.000 2.143 177 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.248 177 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.248 177 G C -0.161 174.666 174.900 -0.122 0.000 0.991 177 G CA 0.513 45.532 45.100 -0.135 0.000 0.689 177 G HN 0.392 nan 8.290 nan 0.000 0.522 178 Y N 0.304 120.611 120.300 0.011 0.000 2.453 178 Y HA 0.606 5.156 4.550 -0.000 0.000 0.326 178 Y C 1.017 176.925 175.900 0.013 0.000 1.186 178 Y CA -0.938 57.169 58.100 0.013 0.000 1.200 178 Y CB 0.984 39.451 38.460 0.012 0.000 1.247 178 Y HN 0.309 nan 8.280 nan 0.000 0.482 179 Q N 0.712 120.646 119.800 0.223 0.000 2.260 179 Q HA 0.580 4.920 4.340 -0.000 0.000 0.238 179 Q C -1.217 174.832 176.000 0.083 0.000 0.948 179 Q CA -0.905 54.968 55.803 0.117 0.000 0.895 179 Q CB 2.187 30.982 28.738 0.095 0.000 1.218 179 Q HN 0.468 nan 8.270 nan 0.000 0.470 180 V N 1.072 121.019 119.914 0.055 0.000 2.656 180 V HA 0.657 4.777 4.120 -0.000 0.000 0.307 180 V C -1.538 174.572 176.094 0.026 0.000 1.051 180 V CA -0.669 61.650 62.300 0.031 0.000 0.893 180 V CB 1.929 33.773 31.823 0.035 0.000 0.999 180 V HN 0.757 nan 8.190 nan 0.000 0.426 181 R N 4.239 124.748 120.500 0.015 0.000 2.513 181 R HA 0.540 4.880 4.340 -0.000 0.000 0.301 181 R C -0.736 175.573 176.300 0.015 0.000 0.968 181 R CA -0.396 55.716 56.100 0.019 0.000 0.872 181 R CB 1.718 32.033 30.300 0.024 0.000 1.177 181 R HN 0.835 nan 8.270 nan 0.000 0.444 182 E N 5.530 125.741 120.200 0.018 0.000 2.249 182 E HA 0.254 4.603 4.350 -0.000 0.000 0.280 182 E C -0.182 176.426 176.600 0.014 0.000 1.016 182 E CA -0.651 55.759 56.400 0.017 0.000 0.830 182 E CB 1.602 31.313 29.700 0.018 0.000 1.081 182 E HN 0.538 nan 8.360 nan 0.000 0.395 183 I N 0.045 120.621 120.570 0.010 0.000 2.377 183 I HA 0.451 4.621 4.170 -0.000 0.000 0.293 183 I C -2.387 173.731 176.117 0.003 0.000 0.987 183 I CA -2.852 58.453 61.300 0.008 0.000 1.185 183 I CB 1.424 39.427 38.000 0.006 0.000 1.341 183 I HN 0.188 nan 8.210 nan 0.000 0.455 184 P HA 0.096 nan 4.420 nan 0.000 0.268 184 P C -0.291 177.005 177.300 -0.007 0.000 1.205 184 P CA 0.049 63.151 63.100 0.002 0.000 0.771 184 P CB 1.108 32.816 31.700 0.013 0.000 0.858 185 S N 1.111 116.797 115.700 -0.023 0.000 2.614 185 S HA 0.474 4.944 4.470 -0.000 0.000 0.265 185 S C 1.054 175.647 174.600 -0.013 0.000 1.303 185 S CA -0.201 57.970 58.200 -0.048 0.000 1.000 185 S CB 0.569 63.692 63.200 -0.129 0.000 0.935 185 S HN 0.674 nan 8.310 nan 0.000 0.551 186 G N 1.251 110.044 108.800 -0.011 0.000 2.588 186 G HA2 0.325 4.285 3.960 -0.000 0.000 0.278 186 G HA3 0.325 4.285 3.960 -0.000 0.000 0.278 186 G C -1.458 173.491 174.900 0.083 0.000 1.307 186 G CA -1.041 44.076 45.100 0.030 0.000 1.016 186 G HN 0.501 nan 8.290 nan 0.000 0.503 187 P HA -0.039 nan 4.420 nan 0.000 0.222 187 P C 0.844 178.300 177.300 0.260 0.000 1.147 187 P CA 0.957 64.159 63.100 0.169 0.000 0.790 187 P CB 0.438 32.196 31.700 0.096 0.000 0.780 188 E N -1.035 119.277 120.200 0.186 0.000 2.479 188 E HA 0.147 4.497 4.350 -0.000 0.000 0.193 188 E C 1.431 178.132 176.600 0.169 0.000 1.049 188 E CA 0.563 57.090 56.400 0.212 0.000 0.870 188 E CB -0.161 29.608 29.700 0.115 0.000 0.944 188 E HN 0.326 nan 8.360 nan 0.000 0.492 189 G N 1.700 110.456 108.800 -0.075 0.000 2.175 189 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.244 189 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.244 189 G C 0.203 174.949 174.900 -0.256 0.000 0.982 189 G CA 0.241 45.007 45.100 -0.556 0.000 0.641 189 G HN 0.309 nan 8.290 nan 0.000 0.527 190 E N -0.650 119.488 120.200 -0.103 0.000 2.254 190 E HA 0.575 4.925 4.350 -0.000 0.000 0.258 190 E C 0.555 177.126 176.600 -0.048 0.000 1.033 190 E CA -0.944 55.421 56.400 -0.059 0.000 0.893 190 E CB 1.873 31.568 29.700 -0.009 0.000 1.204 190 E HN 0.076 nan 8.360 nan 0.000 0.425 191 V N 2.001 121.895 119.914 -0.033 0.000 2.720 191 V HA -0.109 4.011 4.120 -0.000 0.000 0.307 191 V C 0.239 176.327 176.094 -0.009 0.000 1.071 191 V CA 0.598 62.886 62.300 -0.022 0.000 1.199 191 V CB 0.298 32.112 31.823 -0.015 0.000 0.900 191 V HN 0.608 nan 8.190 nan 0.000 0.494 192 D N 4.575 124.972 120.400 -0.006 0.000 2.393 192 D HA 0.163 4.803 4.640 -0.000 0.000 0.232 192 D C 1.011 177.313 176.300 0.005 0.000 1.192 192 D CA -0.061 53.941 54.000 0.004 0.000 0.882 192 D CB 0.962 41.767 40.800 0.008 0.000 1.038 192 D HN 0.467 nan 8.370 nan 0.000 0.499 193 L N 2.908 124.135 121.223 0.006 0.000 2.042 193 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 193 L C 2.165 179.039 176.870 0.007 0.000 1.076 193 L CA 0.936 55.779 54.840 0.004 0.000 0.749 193 L CB -0.178 41.884 42.059 0.006 0.000 0.893 193 L HN 0.378 nan 8.230 nan 0.000 0.432 194 E N 0.255 120.461 120.200 0.010 0.000 2.072 194 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 194 E C 2.334 178.942 176.600 0.013 0.000 0.985 194 E CA 1.396 57.803 56.400 0.012 0.000 0.801 194 E CB -0.298 29.410 29.700 0.014 0.000 0.750 194 E HN 0.460 nan 8.360 nan 0.000 0.452 195 A N 1.272 124.100 122.820 0.013 0.000 1.933 195 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 195 A C 2.233 179.825 177.584 0.013 0.000 1.175 195 A CA 1.246 53.291 52.037 0.014 0.000 0.628 195 A CB -0.521 18.487 19.000 0.013 0.000 0.814 195 A HN 0.241 nan 8.150 nan 0.000 0.444 196 L N -0.108 121.119 121.223 0.007 0.000 2.056 196 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 196 L C 2.112 178.985 176.870 0.005 0.000 1.078 196 L CA 2.222 57.063 54.840 0.003 0.000 0.749 196 L CB -0.545 41.512 42.059 -0.003 0.000 0.901 196 L HN 0.338 nan 8.230 nan 0.000 0.433 197 K N -0.726 119.679 120.400 0.008 0.000 2.147 197 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 197 K C 2.117 178.731 176.600 0.023 0.000 1.049 197 K CA 1.363 57.657 56.287 0.012 0.000 0.936 197 K CB -0.156 32.351 32.500 0.011 0.000 0.722 197 K HN 0.279 nan 8.250 nan 0.000 0.446 198 R N 0.594 121.109 120.500 0.025 0.000 2.189 198 R HA -0.051 4.289 4.340 -0.000 0.000 0.218 198 R C 1.709 178.044 176.300 0.058 0.000 1.074 198 R CA 0.847 56.968 56.100 0.036 0.000 0.991 198 R CB 0.156 30.473 30.300 0.028 0.000 0.883 198 R HN 0.140 nan 8.270 nan 0.000 0.457 199 E N 0.172 120.401 120.200 0.048 0.000 2.251 199 E HA 0.071 4.421 4.350 -0.000 0.000 0.194 199 E C 0.320 176.932 176.600 0.021 0.000 0.964 199 E CA 0.155 56.592 56.400 0.061 0.000 0.868 199 E CB 0.211 29.924 29.700 0.021 0.000 0.828 199 E HN 0.248 nan 8.360 nan 0.000 0.481 200 L N 1.220 122.440 121.223 -0.006 0.000 2.499 200 L HA 0.245 4.585 4.340 -0.000 0.000 0.273 200 L C 0.819 177.693 176.870 0.006 0.000 1.195 200 L CA 0.319 55.131 54.840 -0.046 0.000 0.882 200 L CB 0.335 42.380 42.059 -0.023 0.000 1.133 200 L HN 0.067 nan 8.230 nan 0.000 0.483 201 G N 3.166 111.920 108.800 -0.076 0.000 2.441 201 G HA2 0.266 4.226 3.960 -0.000 0.000 0.294 201 G HA3 0.266 4.226 3.960 -0.000 0.000 0.294 201 G C -2.651 172.253 174.900 0.007 0.000 1.393 201 G CA -0.424 44.722 45.100 0.076 0.000 0.796 201 G HN 0.333 nan 8.290 nan 0.000 0.494 202 P HA -0.060 nan 4.420 nan 0.000 0.234 202 P C 0.816 178.137 177.300 0.035 0.000 1.167 202 P CA 1.088 64.214 63.100 0.043 0.000 0.763 202 P CB -0.130 31.603 31.700 0.055 0.000 0.835 203 H N -1.531 117.508 119.070 -0.052 0.000 2.553 203 H HA 0.184 4.740 4.556 -0.000 0.000 0.265 203 H C 0.136 175.418 175.328 -0.077 0.000 0.964 203 H CA -0.141 55.876 56.048 -0.052 0.000 1.156 203 H CB -0.746 29.000 29.762 -0.028 0.000 1.411 203 H HN -0.111 nan 8.280 nan 0.000 0.558 204 V N 1.966 121.585 119.914 -0.491 0.000 2.406 204 V HA 0.369 4.489 4.120 -0.000 0.000 0.272 204 V C 1.275 177.201 176.094 -0.281 0.000 1.043 204 V CA 0.254 62.315 62.300 -0.399 0.000 0.915 204 V CB 1.109 32.695 31.823 -0.395 0.000 0.988 204 V HN 0.522 nan 8.190 nan 0.000 0.466 205 A N 4.184 126.822 122.820 -0.303 0.000 1.903 205 A HA 0.688 5.008 4.320 -0.000 0.000 0.213 205 A C 1.038 178.630 177.584 0.013 0.000 1.185 205 A CA 1.134 53.032 52.037 -0.232 0.000 0.628 205 A CB 0.071 18.778 19.000 -0.488 0.000 0.830 205 A HN 1.278 nan 8.150 nan 0.000 0.446 206 A N -2.124 120.631 122.820 -0.108 0.000 2.586 206 A HA 0.595 4.915 4.320 -0.000 0.000 0.290 206 A C -1.895 175.677 177.584 -0.020 0.000 1.086 206 A CA -0.397 51.639 52.037 -0.002 0.000 0.665 206 A CB 0.479 19.504 19.000 0.042 0.000 1.279 206 A HN 1.057 nan 8.150 nan 0.000 0.423 207 L N 0.666 121.922 121.223 0.055 0.000 2.376 207 L HA 0.791 5.131 4.340 -0.000 0.000 0.275 207 L C -0.930 176.041 176.870 0.170 0.000 0.987 207 L CA -0.269 54.611 54.840 0.066 0.000 0.828 207 L CB 1.219 43.305 42.059 0.045 0.000 1.249 207 L HN 0.718 nan 8.230 nan 0.000 0.409 208 M N 6.570 126.263 119.600 0.155 0.000 2.129 208 M HA 0.543 5.023 4.480 -0.000 0.000 0.348 208 M C -1.119 175.314 176.300 0.222 0.000 1.116 208 M CA -0.164 55.287 55.300 0.252 0.000 1.022 208 M CB 1.269 33.946 32.600 0.128 0.000 1.599 208 M HN 0.481 nan 8.290 nan 0.000 0.449 209 L N 1.960 123.353 121.223 0.284 0.000 2.393 209 L HA 0.700 5.040 4.340 -0.000 0.000 0.260 209 L C -0.062 176.799 176.870 -0.016 0.000 1.002 209 L CA -0.882 54.069 54.840 0.186 0.000 0.818 209 L CB 2.745 44.989 42.059 0.308 0.000 1.369 209 L HN 0.660 nan 8.230 nan 0.000 0.412 210 T N -1.385 113.122 114.554 -0.078 0.000 2.925 210 T HA 0.612 4.962 4.350 -0.000 0.000 0.285 210 T C -0.588 174.033 174.700 -0.131 0.000 1.021 210 T CA -0.780 61.156 62.100 -0.274 0.000 1.042 210 T CB 2.044 70.826 68.868 -0.143 0.000 1.037 210 T HN 0.468 nan 8.240 nan 0.000 0.481 211 N N 1.867 120.490 118.700 -0.128 0.000 2.752 211 N HA 0.390 5.130 4.740 -0.000 0.000 0.268 211 N C -3.213 172.335 175.510 0.064 0.000 1.190 211 N CA -1.304 51.733 53.050 -0.022 0.000 0.897 211 N CB 1.659 40.171 38.487 0.041 0.000 1.515 211 N HN 0.290 nan 8.380 nan 0.000 0.567 212 P HA 0.053 nan 4.420 nan 0.000 0.269 212 P C -0.346 176.985 177.300 0.052 0.000 1.211 212 P CA -0.037 63.112 63.100 0.081 0.000 0.781 212 P CB 0.512 32.356 31.700 0.240 0.000 0.877 213 N N -0.860 117.862 118.700 0.038 0.000 2.366 213 N HA 0.070 4.810 4.740 -0.000 0.000 0.277 213 N C 0.819 176.369 175.510 0.067 0.000 1.275 213 N CA -0.199 52.865 53.050 0.024 0.000 0.964 213 N CB -1.237 37.238 38.487 -0.020 0.000 1.167 213 N HN 0.376 nan 8.380 nan 0.000 0.568 214 T N -3.121 111.461 114.554 0.047 0.000 3.155 214 T HA 0.021 4.371 4.350 -0.000 0.000 0.264 214 T C 1.238 175.940 174.700 0.004 0.000 1.160 214 T CA 0.629 62.771 62.100 0.071 0.000 1.075 214 T CB -0.573 68.351 68.868 0.093 0.000 0.921 214 T HN 0.431 nan 8.240 nan 0.000 0.533 215 L N 0.160 121.372 121.223 -0.018 0.000 2.585 215 L HA 0.393 4.733 4.340 -0.000 0.000 0.226 215 L C 1.978 178.876 176.870 0.046 0.000 1.113 215 L CA 0.365 55.200 54.840 -0.008 0.000 0.876 215 L CB -0.222 41.795 42.059 -0.069 0.000 1.072 215 L HN 0.557 nan 8.230 nan 0.000 0.468 216 G N 0.772 109.604 108.800 0.055 0.000 2.141 216 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.242 216 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.242 216 G C 0.017 175.008 174.900 0.151 0.000 0.982 216 G CA -0.204 44.951 45.100 0.091 0.000 0.662 216 G HN 0.210 nan 8.290 nan 0.000 0.527 217 L N 0.017 121.311 121.223 0.118 0.000 2.295 217 L HA 0.672 5.012 4.340 -0.000 0.000 0.285 217 L C 0.595 177.551 176.870 0.144 0.000 1.035 217 L CA -1.296 53.623 54.840 0.133 0.000 0.806 217 L CB 1.248 43.357 42.059 0.084 0.000 1.214 217 L HN 0.106 nan 8.230 nan 0.000 0.426 218 F N 2.686 122.681 119.950 0.074 0.000 2.484 218 F HA 0.090 4.617 4.527 0.000 0.000 0.360 218 F C 0.879 176.722 175.800 0.071 0.000 1.101 218 F CA -0.176 57.872 58.000 0.079 0.000 1.251 218 F CB 0.660 39.699 39.000 0.064 0.000 1.132 218 F HN 0.419 nan 8.300 nan 0.000 0.570 219 E N 6.850 126.744 120.200 -0.511 0.000 1.865 219 E HA 0.049 4.399 4.350 -0.000 0.000 0.269 219 E C 1.041 177.616 176.600 -0.041 0.000 1.177 219 E CA 0.113 56.380 56.400 -0.222 0.000 0.932 219 E CB 0.369 29.934 29.700 -0.224 0.000 1.066 219 E HN 0.764 nan 8.360 nan 0.000 0.405 220 R N 1.308 121.935 120.500 0.212 0.000 2.159 220 R HA -0.086 4.254 4.340 -0.000 0.000 0.237 220 R C 0.962 177.368 176.300 0.178 0.000 1.131 220 R CA 0.918 57.195 56.100 0.295 0.000 0.982 220 R CB 0.216 30.634 30.300 0.197 0.000 0.868 220 R HN 0.045 nan 8.270 nan 0.000 0.453 221 R N 0.537 121.091 120.500 0.090 0.000 2.586 221 R HA 0.072 4.412 4.340 -0.000 0.000 0.306 221 R C 1.270 177.581 176.300 0.019 0.000 1.079 221 R CA -0.119 56.013 56.100 0.052 0.000 1.083 221 R CB -0.325 29.994 30.300 0.030 0.000 1.306 221 R HN 0.159 nan 8.270 nan 0.000 0.567 222 I N 0.763 121.346 120.570 0.021 0.000 2.264 222 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 222 I C 1.658 177.739 176.117 -0.061 0.000 1.111 222 I CA 1.536 62.809 61.300 -0.044 0.000 1.382 222 I CB 0.044 38.016 38.000 -0.046 0.000 1.060 222 I HN 0.158 nan 8.210 nan 0.000 0.418 223 L N -0.311 120.910 121.223 -0.003 0.000 2.141 223 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 223 L C 2.471 179.322 176.870 -0.032 0.000 1.094 223 L CA 1.026 55.855 54.840 -0.019 0.000 0.763 223 L CB -0.788 41.281 42.059 0.017 0.000 0.908 223 L HN 0.246 nan 8.230 nan 0.000 0.437 224 E N 0.658 120.848 120.200 -0.018 0.000 2.107 224 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 224 E C 2.263 178.841 176.600 -0.036 0.000 0.982 224 E CA 0.999 57.389 56.400 -0.018 0.000 0.809 224 E CB 0.024 29.722 29.700 -0.003 0.000 0.756 224 E HN 0.482 nan 8.360 nan 0.000 0.459 225 I N 0.345 120.884 120.570 -0.053 0.000 2.226 225 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 225 I C 2.643 178.700 176.117 -0.099 0.000 1.100 225 I CA 1.167 62.425 61.300 -0.071 0.000 1.374 225 I CB -0.349 37.598 38.000 -0.087 0.000 1.057 225 I HN 0.038 nan 8.210 nan 0.000 0.413 226 S N 0.717 116.335 115.700 -0.138 0.000 2.382 226 S HA -0.223 4.247 4.470 -0.000 0.000 0.228 226 S C 2.269 176.818 174.600 -0.084 0.000 1.027 226 S CA 1.345 59.453 58.200 -0.153 0.000 0.991 226 S CB -0.257 62.831 63.200 -0.186 0.000 0.823 226 S HN 0.326 nan 8.310 nan 0.000 0.469 227 R N 0.282 120.746 120.500 -0.059 0.000 2.073 227 R HA -0.008 4.332 4.340 -0.000 0.000 0.234 227 R C 2.340 178.624 176.300 -0.027 0.000 1.134 227 R CA 1.672 57.751 56.100 -0.036 0.000 0.952 227 R CB -0.462 29.824 30.300 -0.024 0.000 0.850 227 R HN 0.461 nan 8.270 nan 0.000 0.433 228 L N -0.086 121.120 121.223 -0.028 0.000 2.046 228 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 228 L C 2.777 179.636 176.870 -0.019 0.000 1.077 228 L CA 1.249 56.077 54.840 -0.019 0.000 0.747 228 L CB -0.508 41.539 42.059 -0.019 0.000 0.896 228 L HN 0.384 nan 8.230 nan 0.000 0.432 229 C N -0.245 119.037 119.300 -0.030 0.000 2.432 229 C HA -0.182 4.278 4.460 -0.000 0.000 0.277 229 C C 2.918 177.908 174.990 0.000 0.000 1.249 229 C CA 0.919 59.925 59.018 -0.019 0.000 1.725 229 C CB -0.638 27.082 27.740 -0.034 0.000 2.028 229 C HN 0.451 nan 8.230 nan 0.000 0.477 230 K N 1.022 121.416 120.400 -0.010 0.000 2.097 230 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 230 K C 2.108 178.715 176.600 0.012 0.000 1.049 230 K CA 1.665 57.953 56.287 0.001 0.000 0.933 230 K CB -0.287 32.201 32.500 -0.020 0.000 0.717 230 K HN 0.605 nan 8.250 nan 0.000 0.442 231 E N -0.328 119.874 120.200 0.003 0.000 2.153 231 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 231 E C 1.218 177.827 176.600 0.016 0.000 0.988 231 E CA 1.129 57.533 56.400 0.008 0.000 0.811 231 E CB -0.042 29.660 29.700 0.003 0.000 0.746 231 E HN 0.417 nan 8.360 nan 0.000 0.466 232 A N -0.290 122.539 122.820 0.016 0.000 2.308 232 A HA 0.344 4.664 4.320 -0.000 0.000 0.217 232 A C 1.653 179.257 177.584 0.033 0.000 1.216 232 A CA 0.746 52.792 52.037 0.016 0.000 0.864 232 A CB -0.016 18.983 19.000 -0.002 0.000 0.902 232 A HN 0.460 nan 8.150 nan 0.000 0.499 233 G N -1.187 107.650 108.800 0.062 0.000 2.159 233 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.256 233 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.256 233 G C 0.204 175.218 174.900 0.189 0.000 0.977 233 G CA 0.200 45.377 45.100 0.129 0.000 0.652 233 G HN 0.777 nan 8.290 nan 0.000 0.531 234 V N 2.174 122.151 119.914 0.105 0.000 2.508 234 V HA 0.331 4.451 4.120 -0.000 0.000 0.281 234 V C 0.645 176.816 176.094 0.128 0.000 1.041 234 V CA -0.400 61.963 62.300 0.105 0.000 1.016 234 V CB 1.565 33.397 31.823 0.015 0.000 0.984 234 V HN 0.361 nan 8.190 nan 0.000 0.478 235 Q N 3.859 123.769 119.800 0.183 0.000 2.314 235 Q HA 0.381 4.721 4.340 -0.000 0.000 0.258 235 Q C -0.444 175.632 176.000 0.127 0.000 0.954 235 Q CA -0.109 55.772 55.803 0.129 0.000 0.890 235 Q CB 1.625 30.419 28.738 0.094 0.000 1.210 235 Q HN 0.604 nan 8.270 nan 0.000 0.410 236 L N 3.964 125.256 121.223 0.116 0.000 2.257 236 L HA 0.264 4.604 4.340 -0.000 0.000 0.290 236 L C -0.994 176.099 176.870 0.371 0.000 1.044 236 L CA -0.722 54.210 54.840 0.154 0.000 0.810 236 L CB 0.404 42.415 42.059 -0.080 0.000 1.193 236 L HN 0.587 nan 8.230 nan 0.000 0.425 237 Y N 4.869 125.356 120.300 0.311 0.000 2.320 237 Y HA 0.212 4.762 4.550 -0.000 0.000 0.334 237 Y C -1.015 175.082 175.900 0.329 0.000 1.055 237 Y CA -0.499 57.777 58.100 0.292 0.000 1.143 237 Y CB 1.007 39.564 38.460 0.161 0.000 1.193 237 Y HN 0.452 nan 8.280 nan 0.000 0.477 238 Y N 6.783 126.685 120.300 -0.662 0.000 2.434 238 Y HA 0.240 4.790 4.550 -0.000 0.000 0.341 238 Y C -0.306 175.151 175.900 -0.738 0.000 0.965 238 Y CA -1.047 56.506 58.100 -0.911 0.000 1.205 238 Y CB 0.338 38.023 38.460 -1.290 0.000 1.121 238 Y HN 0.652 nan 8.280 nan 0.000 0.507 239 D N 4.533 124.523 120.400 -0.685 0.000 2.359 239 D HA 0.075 4.715 4.640 -0.000 0.000 0.250 239 D C 1.008 176.642 176.300 -1.109 0.000 1.264 239 D CA 0.291 53.993 54.000 -0.496 0.000 0.911 239 D CB 0.906 41.653 40.800 -0.089 0.000 1.056 239 D HN 0.957 nan 8.370 nan 0.000 0.499 240 G N 2.916 110.987 108.800 -1.216 0.000 2.990 240 G HA2 0.040 4.000 3.960 -0.000 0.000 0.206 240 G HA3 0.040 4.000 3.960 -0.000 0.000 0.206 240 G C 1.356 176.000 174.900 -0.426 0.000 1.169 240 G CA 0.420 45.069 45.100 -0.752 0.000 0.819 240 G HN 0.571 nan 8.290 nan 0.000 0.517 241 A N 1.219 123.807 122.820 -0.386 0.000 2.024 241 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 241 A C 1.887 179.376 177.584 -0.159 0.000 1.164 241 A CA 1.174 53.100 52.037 -0.185 0.000 0.643 241 A CB -0.096 18.831 19.000 -0.121 0.000 0.806 241 A HN 0.327 nan 8.150 nan 0.000 0.451 242 N N 0.204 118.776 118.700 -0.214 0.000 2.279 242 N HA 0.095 4.835 4.740 -0.000 0.000 0.226 242 N C 1.025 176.335 175.510 -0.334 0.000 1.126 242 N CA -0.206 52.656 53.050 -0.315 0.000 0.846 242 N CB 0.448 38.812 38.487 -0.204 0.000 1.050 242 N HN 0.352 nan 8.380 nan 0.000 0.502 243 L N 0.586 121.710 121.223 -0.166 0.000 2.187 243 L HA -0.116 4.224 4.340 -0.000 0.000 0.213 243 L C 1.478 178.274 176.870 -0.125 0.000 1.100 243 L CA 1.420 56.229 54.840 -0.053 0.000 0.765 243 L CB -0.557 41.518 42.059 0.026 0.000 0.904 243 L HN 0.110 nan 8.230 nan 0.000 0.437 244 N N 0.430 119.004 118.700 -0.210 0.000 2.205 244 N HA -0.160 4.580 4.740 -0.000 0.000 0.186 244 N C 1.767 177.216 175.510 -0.101 0.000 1.015 244 N CA 1.559 54.511 53.050 -0.163 0.000 0.862 244 N CB -0.038 38.374 38.487 -0.126 0.000 0.986 244 N HN 0.434 nan 8.380 nan 0.000 0.429 245 A N 0.092 122.786 122.820 -0.209 0.000 2.015 245 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 245 A C 1.812 179.408 177.584 0.020 0.000 1.163 245 A CA 1.339 53.333 52.037 -0.073 0.000 0.646 245 A CB -0.539 18.394 19.000 -0.111 0.000 0.806 245 A HN 0.562 nan 8.150 nan 0.000 0.448 246 I N -3.595 117.011 120.570 0.060 0.000 4.338 246 I HA 0.288 4.458 4.170 -0.000 0.000 0.329 246 I C 0.493 176.738 176.117 0.213 0.000 1.378 246 I CA -0.565 60.835 61.300 0.166 0.000 1.170 246 I CB -0.290 37.826 38.000 0.193 0.000 1.206 246 I HN 0.216 nan 8.210 nan 0.000 0.432 247 M N 1.499 121.175 119.600 0.127 0.000 2.261 247 M HA 0.396 4.876 4.480 -0.000 0.000 0.350 247 M C 1.105 177.455 176.300 0.083 0.000 1.343 247 M CA 1.397 56.746 55.300 0.082 0.000 1.003 247 M CB -0.061 32.547 32.600 0.012 0.000 1.848 247 M HN 0.385 nan 8.290 nan 0.000 0.456 248 G N 2.625 111.417 108.800 -0.014 0.000 2.320 248 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.242 248 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.242 248 G C 0.202 174.928 174.900 -0.289 0.000 1.033 248 G CA 0.515 45.505 45.100 -0.182 0.000 0.620 248 G HN 0.911 nan 8.290 nan 0.000 0.517 249 W N 0.949 122.228 121.300 -0.035 0.000 2.588 249 W HA 0.708 5.368 4.660 -0.000 0.000 0.277 249 W C 1.281 177.778 176.519 -0.038 0.000 1.221 249 W CA 1.165 58.486 57.345 -0.040 0.000 1.355 249 W CB 0.446 29.879 29.460 -0.045 0.000 1.083 249 W HN 0.854 nan 8.180 nan 0.000 0.581 250 A N 0.210 123.140 122.820 0.184 0.000 2.594 250 A HA 0.784 5.104 4.320 -0.000 0.000 0.295 250 A C -0.999 176.626 177.584 0.068 0.000 1.071 250 A CA -0.958 51.150 52.037 0.119 0.000 0.685 250 A CB 1.097 20.190 19.000 0.154 0.000 1.285 250 A HN 0.018 nan 8.150 nan 0.000 0.405 251 R N 2.241 122.759 120.500 0.029 0.000 2.494 251 R HA 0.438 4.778 4.340 -0.000 0.000 0.305 251 R C -2.065 174.186 176.300 -0.082 0.000 0.959 251 R CA -1.926 54.147 56.100 -0.045 0.000 0.864 251 R CB 2.039 32.314 30.300 -0.042 0.000 1.159 251 R HN 0.489 nan 8.270 nan 0.000 0.446 252 P HA -0.197 nan 4.420 nan 0.000 0.216 252 P C 1.232 178.537 177.300 0.007 0.000 1.150 252 P CA 1.521 64.411 63.100 -0.350 0.000 0.837 252 P CB 0.184 31.069 31.700 -1.357 0.000 0.786 253 G N 0.661 109.423 108.800 -0.063 0.000 2.442 253 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 253 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 253 G C 1.171 176.086 174.900 0.025 0.000 1.141 253 G CA 0.833 45.934 45.100 0.002 0.000 0.763 253 G HN 0.207 nan 8.290 nan 0.000 0.554 254 D N 0.156 120.568 120.400 0.019 0.000 2.347 254 D HA 0.031 4.671 4.640 -0.000 0.000 0.215 254 D C 2.319 178.644 176.300 0.041 0.000 0.976 254 D CA 0.420 54.435 54.000 0.026 0.000 0.884 254 D CB -0.009 40.806 40.800 0.025 0.000 0.915 254 D HN 0.361 nan 8.370 nan 0.000 0.526 255 M N -0.912 118.730 119.600 0.070 0.000 2.556 255 M HA 0.146 4.626 4.480 -0.000 0.000 0.245 255 M C 1.240 177.492 176.300 -0.080 0.000 1.128 255 M CA 0.581 55.916 55.300 0.058 0.000 1.069 255 M CB 0.787 33.493 32.600 0.178 0.000 1.469 255 M HN 0.124 nan 8.290 nan 0.000 0.494 256 G N 0.051 108.815 108.800 -0.061 0.000 2.201 256 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.212 256 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.212 256 G C -0.067 174.743 174.900 -0.150 0.000 0.994 256 G CA -0.764 44.261 45.100 -0.127 0.000 0.644 256 G HN 0.298 nan 8.290 nan 0.000 0.508 257 F N 2.176 122.108 119.950 -0.031 0.000 2.529 257 F HA 0.321 4.848 4.527 -0.000 0.000 0.365 257 F C 1.476 177.261 175.800 -0.024 0.000 1.102 257 F CA 0.464 58.448 58.000 -0.027 0.000 1.271 257 F CB 0.695 39.651 39.000 -0.074 0.000 1.120 257 F HN -0.004 nan 8.300 nan 0.000 0.579 258 D N 1.227 121.733 120.400 0.175 0.000 2.271 258 D HA 0.032 4.672 4.640 -0.000 0.000 0.206 258 D C 0.103 176.408 176.300 0.008 0.000 0.967 258 D CA 0.899 54.956 54.000 0.096 0.000 0.867 258 D CB 0.879 41.734 40.800 0.091 0.000 0.960 258 D HN 0.239 nan 8.370 nan 0.000 0.509 259 V N 0.446 120.376 119.914 0.027 0.000 3.012 259 V HA 0.543 4.663 4.120 -0.000 0.000 0.307 259 V C -1.568 174.392 176.094 -0.222 0.000 1.166 259 V CA -0.733 61.533 62.300 -0.057 0.000 0.974 259 V CB 2.415 34.253 31.823 0.025 0.000 1.040 259 V HN -0.070 nan 8.190 nan 0.000 0.428 260 V N 3.608 123.391 119.914 -0.218 0.000 3.114 260 V HA 0.783 4.903 4.120 -0.000 0.000 0.308 260 V C -1.108 174.909 176.094 -0.129 0.000 1.168 260 V CA -0.212 61.916 62.300 -0.286 0.000 1.015 260 V CB 1.885 33.627 31.823 -0.135 0.000 1.050 260 V HN 1.433 nan 8.190 nan 0.000 0.433 261 H N 3.061 122.040 119.070 -0.152 0.000 2.690 261 H HA 0.818 5.374 4.556 -0.000 0.000 0.368 261 H C -1.959 173.376 175.328 0.011 0.000 1.150 261 H CA -1.110 54.932 56.048 -0.010 0.000 1.174 261 H CB 2.315 32.140 29.762 0.106 0.000 1.684 261 H HN 0.745 nan 8.280 nan 0.000 0.538 262 L N 2.005 123.334 121.223 0.178 0.000 2.323 262 L HA 0.346 4.686 4.340 -0.000 0.000 0.265 262 L C -0.648 176.375 176.870 0.255 0.000 1.012 262 L CA -1.118 53.806 54.840 0.139 0.000 0.820 262 L CB 1.908 44.049 42.059 0.137 0.000 1.334 262 L HN 0.652 nan 8.230 nan 0.000 0.427 263 N N 1.280 120.084 118.700 0.173 0.000 2.626 263 N HA 0.295 5.035 4.740 -0.000 0.000 0.242 263 N C 0.357 175.920 175.510 0.089 0.000 1.005 263 N CA -0.510 52.574 53.050 0.057 0.000 0.905 263 N CB 1.467 39.819 38.487 -0.224 0.000 1.128 263 N HN 0.407 nan 8.380 nan 0.000 0.512 264 L N 1.655 123.018 121.223 0.234 0.000 2.131 264 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 264 L C 2.205 179.158 176.870 0.139 0.000 1.092 264 L CA 1.522 56.514 54.840 0.254 0.000 0.759 264 L CB -0.778 41.353 42.059 0.120 0.000 0.903 264 L HN 0.716 nan 8.230 nan 0.000 0.435 265 H N -2.097 116.926 119.070 -0.078 0.000 2.556 265 H HA 0.094 4.650 4.556 -0.000 0.000 0.268 265 H C 1.424 176.510 175.328 -0.404 0.000 0.996 265 H CA 0.449 56.337 56.048 -0.266 0.000 1.157 265 H CB 0.008 29.589 29.762 -0.301 0.000 1.355 265 H HN 0.349 nan 8.280 nan 0.000 0.597 266 K N 0.263 120.398 120.400 -0.443 0.000 2.344 266 K HA 0.116 4.436 4.320 -0.000 0.000 0.229 266 K C 2.037 178.536 176.600 -0.168 0.000 1.112 266 K CA 0.723 56.849 56.287 -0.270 0.000 0.850 266 K CB 0.310 32.649 32.500 -0.269 0.000 1.311 266 K HN 0.000 nan 8.250 nan 0.000 0.448 267 T N 1.220 115.664 114.554 -0.182 0.000 2.777 267 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 267 T C 1.031 175.418 174.700 -0.522 0.000 1.040 267 T CA 1.319 63.210 62.100 -0.348 0.000 1.141 267 T CB -0.153 68.424 68.868 -0.485 0.000 0.868 267 T HN 0.049 nan 8.240 nan 0.000 0.444 268 F N 1.811 121.701 119.950 -0.100 0.000 2.730 268 F HA 0.259 4.786 4.527 -0.000 0.000 0.295 268 F C 1.537 177.063 175.800 -0.457 0.000 1.143 268 F CA 0.031 57.929 58.000 -0.170 0.000 1.367 268 F CB -0.805 38.210 39.000 0.024 0.000 0.970 268 F HN 0.258 nan 8.300 nan 0.000 0.514 269 T N -3.754 110.589 114.554 -0.352 0.000 6.974 269 T HA -0.246 4.104 4.350 -0.000 0.000 0.287 269 T C 0.238 174.847 174.700 -0.151 0.000 2.146 269 T CA 0.433 62.344 62.100 -0.316 0.000 3.451 269 T CB -2.709 65.871 68.868 -0.480 0.000 1.630 269 T HN -0.013 nan 8.240 nan 0.000 1.173 270 V N 4.678 124.539 119.914 -0.089 0.000 2.584 270 V HA 0.272 4.392 4.120 -0.000 0.000 0.303 270 V C -1.198 174.824 176.094 -0.120 0.000 1.035 270 V CA -0.561 61.702 62.300 -0.063 0.000 1.172 270 V CB 0.184 31.996 31.823 -0.019 0.000 0.896 270 V HN 0.485 nan 8.190 nan 0.000 0.486 271 P HA 0.014 nan 4.420 nan 0.000 0.266 271 P C 0.119 177.364 177.300 -0.092 0.000 1.195 271 P CA 0.174 63.230 63.100 -0.073 0.000 0.768 271 P CB 0.504 32.174 31.700 -0.050 0.000 0.838 272 H N 2.097 121.130 119.070 -0.061 0.000 2.457 272 H HA 0.041 4.597 4.556 -0.000 0.000 0.294 272 H C 1.758 177.053 175.328 -0.055 0.000 1.064 272 H CA 1.694 57.714 56.048 -0.047 0.000 1.330 272 H CB -0.658 29.038 29.762 -0.109 0.000 1.395 272 H HN 0.755 nan 8.280 nan 0.000 0.541 273 G N 0.006 108.827 108.800 0.035 0.000 2.296 273 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.282 273 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.282 273 G C 1.242 176.145 174.900 0.006 0.000 1.014 273 G CA 0.668 45.769 45.100 0.001 0.000 0.812 273 G HN 1.044 nan 8.290 nan 0.000 0.508 274 G N -2.168 106.638 108.800 0.009 0.000 2.160 274 G HA2 0.238 4.197 3.960 -0.000 0.000 0.251 274 G HA3 0.238 4.197 3.960 -0.000 0.000 0.251 274 G C 1.680 176.593 174.900 0.022 0.000 1.008 274 G CA 0.906 46.011 45.100 0.009 0.000 0.724 274 G HN 2.600 nan 8.290 nan 0.000 0.514 275 G N -2.659 106.161 108.800 0.034 0.000 3.110 275 G HA2 0.551 4.511 3.960 -0.000 0.000 0.205 275 G HA3 0.551 4.511 3.960 -0.000 0.000 0.205 275 G C 1.162 176.068 174.900 0.010 0.000 1.019 275 G CA 1.120 46.240 45.100 0.033 0.000 0.826 275 G HN 2.507 nan 8.290 nan 0.000 0.481 276 G N -0.353 108.436 108.800 -0.018 0.000 2.320 276 G HA2 0.671 4.631 3.960 -0.000 0.000 0.296 276 G HA3 0.671 4.631 3.960 -0.000 0.000 0.296 276 G C -3.213 171.641 174.900 -0.077 0.000 1.306 276 G CA 0.287 45.339 45.100 -0.080 0.000 0.836 276 G HN 0.515 nan 8.290 nan 0.000 0.517 277 P HA 0.636 nan 4.420 nan 0.000 0.280 277 P C 0.187 177.324 177.300 -0.271 0.000 1.272 277 P CA 0.156 63.157 63.100 -0.164 0.000 0.819 277 P CB 2.118 33.746 31.700 -0.119 0.000 1.122 278 G N -0.879 107.670 108.800 -0.418 0.000 3.247 278 G HA2 0.563 4.523 3.960 -0.000 0.000 0.199 278 G HA3 0.563 4.523 3.960 -0.000 0.000 0.199 278 G C -1.299 173.416 174.900 -0.307 0.000 1.172 278 G CA -0.586 44.116 45.100 -0.663 0.000 0.844 278 G HN 0.671 nan 8.290 nan 0.000 0.619 279 S N -1.717 113.883 115.700 -0.166 0.000 2.584 279 S HA 0.549 5.019 4.470 -0.000 0.000 0.280 279 S C -0.610 174.067 174.600 0.128 0.000 1.162 279 S CA 0.240 58.442 58.200 0.003 0.000 0.951 279 S CB 1.096 64.298 63.200 0.003 0.000 1.108 279 S HN 1.595 nan 8.310 nan 0.000 0.464 280 G N 4.499 113.363 108.800 0.106 0.000 4.487 280 G HA2 0.537 4.497 3.960 -0.000 0.000 0.339 280 G HA3 0.537 4.497 3.960 -0.000 0.000 0.339 280 G C -3.101 171.860 174.900 0.101 0.000 1.482 280 G CA -1.486 43.701 45.100 0.145 0.000 1.069 280 G HN 0.498 nan 8.290 nan 0.000 0.515 281 P HA 0.155 nan 4.420 nan 0.000 0.266 281 P C -0.169 177.163 177.300 0.054 0.000 1.193 281 P CA 0.027 63.141 63.100 0.024 0.000 0.770 281 P CB 1.497 33.176 31.700 -0.035 0.000 0.836 282 V N 3.165 123.095 119.914 0.027 0.000 2.483 282 V HA 0.640 4.760 4.120 -0.000 0.000 0.297 282 V C 0.617 176.708 176.094 -0.006 0.000 1.027 282 V CA -0.355 61.969 62.300 0.040 0.000 0.855 282 V CB 1.674 33.532 31.823 0.058 0.000 0.995 282 V HN 0.705 nan 8.190 nan 0.000 0.424 283 G N 2.974 111.760 108.800 -0.024 0.000 2.432 283 G HA2 0.822 4.782 3.960 -0.000 0.000 0.331 283 G HA3 0.822 4.782 3.960 -0.000 0.000 0.331 283 G C -0.830 174.038 174.900 -0.054 0.000 1.170 283 G CA -0.501 44.569 45.100 -0.050 0.000 0.943 283 G HN 1.135 nan 8.290 nan 0.000 0.483 284 V N -2.151 117.726 119.914 -0.062 0.000 3.188 284 V HA 0.698 4.818 4.120 -0.000 0.000 0.305 284 V C -0.862 175.179 176.094 -0.088 0.000 1.232 284 V CA -1.567 60.684 62.300 -0.081 0.000 1.043 284 V CB 1.995 33.761 31.823 -0.095 0.000 1.068 284 V HN 0.570 nan 8.190 nan 0.000 0.439 285 K N 1.109 121.439 120.400 -0.118 0.000 2.202 285 K HA 0.599 4.919 4.320 -0.000 0.000 0.264 285 K C 1.485 178.029 176.600 -0.094 0.000 1.010 285 K CA 0.277 56.534 56.287 -0.051 0.000 0.940 285 K CB 1.482 34.032 32.500 0.083 0.000 0.983 285 K HN 1.081 nan 8.250 nan 0.000 0.475 286 A N 2.317 125.147 122.820 0.016 0.000 1.940 286 A HA -0.255 4.065 4.320 -0.000 0.000 0.221 286 A C 1.758 179.357 177.584 0.026 0.000 1.190 286 A CA 2.208 54.257 52.037 0.020 0.000 0.647 286 A CB -1.052 17.983 19.000 0.058 0.000 0.821 286 A HN 0.887 nan 8.150 nan 0.000 0.457 287 H N -1.062 118.012 119.070 0.007 0.000 2.518 287 H HA 0.066 4.622 4.556 -0.000 0.000 0.289 287 H C 1.419 176.802 175.328 0.091 0.000 1.051 287 H CA 1.444 57.525 56.048 0.055 0.000 1.280 287 H CB -0.454 29.346 29.762 0.064 0.000 1.380 287 H HN 0.501 nan 8.280 nan 0.000 0.566 288 L N -0.077 120.925 121.223 -0.368 0.000 2.731 288 L HA 0.324 4.664 4.340 -0.000 0.000 0.240 288 L C 2.707 179.547 176.870 -0.050 0.000 1.120 288 L CA 0.400 55.163 54.840 -0.128 0.000 0.913 288 L CB 0.048 41.901 42.059 -0.343 0.000 1.213 288 L HN 0.229 nan 8.230 nan 0.000 0.515 289 A N 1.798 124.543 122.820 -0.126 0.000 1.948 289 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 289 A C -0.180 177.303 177.584 -0.168 0.000 1.177 289 A CA 1.698 53.669 52.037 -0.110 0.000 0.636 289 A CB -1.641 17.309 19.000 -0.083 0.000 0.815 289 A HN 0.272 nan 8.150 nan 0.000 0.449 290 P HA -0.119 nan 4.420 nan 0.000 0.228 290 P C 0.184 177.211 177.300 -0.455 0.000 1.151 290 P CA 0.915 63.763 63.100 -0.420 0.000 0.770 290 P CB -0.248 31.140 31.700 -0.520 0.000 0.786 291 Y N -0.787 119.527 120.300 0.023 0.000 2.457 291 Y HA 0.223 4.773 4.550 -0.000 0.000 0.263 291 Y C 1.550 177.459 175.900 0.014 0.000 1.164 291 Y CA -0.686 57.432 58.100 0.029 0.000 1.274 291 Y CB -0.839 37.647 38.460 0.044 0.000 1.097 291 Y HN -0.176 nan 8.280 nan 0.000 0.523 292 L N 4.195 125.456 121.223 0.063 0.000 2.514 292 L HA 0.053 4.393 4.340 -0.000 0.000 0.280 292 L C -1.845 175.045 176.870 0.034 0.000 1.223 292 L CA -1.661 53.201 54.840 0.036 0.000 0.864 292 L CB 0.271 42.325 42.059 -0.010 0.000 1.118 292 L HN -0.051 nan 8.230 nan 0.000 0.494 293 P HA 0.079 nan 4.420 nan 0.000 0.272 293 P C -0.782 176.525 177.300 0.011 0.000 1.230 293 P CA -0.275 62.842 63.100 0.029 0.000 0.788 293 P CB 1.014 32.721 31.700 0.012 0.000 0.949 294 V N -1.833 118.102 119.914 0.035 0.000 2.837 294 V HA 0.646 4.766 4.120 -0.000 0.000 0.310 294 V C -2.263 173.815 176.094 -0.027 0.000 1.059 294 V CA -2.554 59.731 62.300 -0.025 0.000 1.004 294 V CB 1.088 32.964 31.823 0.089 0.000 1.045 294 V HN 0.494 nan 8.190 nan 0.000 0.465 295 P HA 0.583 nan 4.420 nan 0.000 0.285 295 P C -1.281 175.828 177.300 -0.319 0.000 1.280 295 P CA -0.785 61.944 63.100 -0.619 0.000 0.862 295 P CB 2.092 32.883 31.700 -1.515 0.000 1.153 296 L N 0.628 121.673 121.223 -0.297 0.000 2.325 296 L HA 0.452 4.792 4.340 -0.000 0.000 0.278 296 L C 0.087 176.818 176.870 -0.232 0.000 1.023 296 L CA -1.377 53.348 54.840 -0.191 0.000 0.811 296 L CB 1.951 43.931 42.059 -0.132 0.000 1.249 296 L HN 0.072 nan 8.230 nan 0.000 0.431 297 V N 2.415 122.241 119.914 -0.146 0.000 2.461 297 V HA 0.293 4.413 4.120 -0.000 0.000 0.275 297 V C 0.053 176.124 176.094 -0.038 0.000 1.047 297 V CA -0.416 61.812 62.300 -0.119 0.000 0.955 297 V CB 0.950 32.769 31.823 -0.008 0.000 0.988 297 V HN 0.665 nan 8.190 nan 0.000 0.471 298 E N 3.978 124.001 120.200 -0.296 0.000 2.392 298 E HA 0.534 4.884 4.350 -0.000 0.000 0.269 298 E C -0.716 175.676 176.600 -0.347 0.000 0.924 298 E CA -1.008 55.213 56.400 -0.298 0.000 0.784 298 E CB 2.828 32.192 29.700 -0.561 0.000 1.292 298 E HN 0.737 nan 8.360 nan 0.000 0.447 299 R N -0.301 120.002 120.500 -0.329 0.000 2.393 299 R HA 0.760 5.100 4.340 -0.000 0.000 0.315 299 R C 0.042 176.226 176.300 -0.193 0.000 0.952 299 R CA -0.736 55.059 56.100 -0.508 0.000 0.842 299 R CB 1.320 30.957 30.300 -1.105 0.000 1.163 299 R HN 0.459 nan 8.270 nan 0.000 0.450 300 G N 1.459 110.254 108.800 -0.008 0.000 2.887 300 G HA2 0.170 4.130 3.960 -0.000 0.000 0.277 300 G HA3 0.170 4.130 3.960 -0.000 0.000 0.277 300 G C 0.389 175.210 174.900 -0.130 0.000 1.346 300 G CA -0.711 44.399 45.100 0.017 0.000 1.058 300 G HN 0.757 nan 8.290 nan 0.000 0.535 301 E N -0.086 120.046 120.200 -0.115 0.000 2.070 301 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 301 E C 1.772 178.295 176.600 -0.129 0.000 1.004 301 E CA 1.887 58.217 56.400 -0.117 0.000 0.805 301 E CB -0.271 29.372 29.700 -0.096 0.000 0.744 301 E HN 0.571 nan 8.360 nan 0.000 0.451 302 E N 1.212 121.333 120.200 -0.131 0.000 2.001 302 E HA 0.111 4.461 4.350 -0.000 0.000 0.195 302 E C 1.233 177.757 176.600 -0.127 0.000 1.002 302 E CA 1.294 57.625 56.400 -0.114 0.000 0.819 302 E CB -0.301 29.332 29.700 -0.112 0.000 0.769 302 E HN 0.404 nan 8.360 nan 0.000 0.454 303 G N -1.122 107.594 108.800 -0.140 0.000 2.435 303 G HA2 0.381 4.341 3.960 -0.000 0.000 0.296 303 G HA3 0.381 4.341 3.960 -0.000 0.000 0.296 303 G C -1.473 173.298 174.900 -0.215 0.000 1.240 303 G CA -1.069 43.897 45.100 -0.224 0.000 0.872 303 G HN 0.042 nan 8.290 nan 0.000 0.480 304 F N 1.318 121.250 119.950 -0.031 0.000 2.471 304 F HA 0.603 5.130 4.527 -0.000 0.000 0.353 304 F C 0.453 176.298 175.800 0.074 0.000 1.113 304 F CA 0.358 58.324 58.000 -0.056 0.000 1.262 304 F CB 0.823 39.755 39.000 -0.113 0.000 1.146 304 F HN 0.574 nan 8.300 nan 0.000 0.578 305 Y N -0.097 120.245 120.300 0.070 0.000 2.625 305 Y HA 0.710 5.260 4.550 -0.000 0.000 0.338 305 Y C -1.908 173.975 175.900 -0.028 0.000 1.123 305 Y CA -2.152 55.956 58.100 0.013 0.000 1.046 305 Y CB 0.777 39.236 38.460 -0.002 0.000 1.299 305 Y HN 0.345 nan 8.280 nan 0.000 0.464 306 L N 3.102 124.319 121.223 -0.010 0.000 2.261 306 L HA 0.299 4.639 4.340 -0.000 0.000 0.289 306 L C -0.583 176.229 176.870 -0.097 0.000 1.059 306 L CA -0.273 54.434 54.840 -0.223 0.000 0.816 306 L CB 0.592 42.476 42.059 -0.291 0.000 1.191 306 L HN 0.609 nan 8.230 nan 0.000 0.431 307 D N 2.724 122.959 120.400 -0.275 0.000 2.313 307 D HA 0.165 4.805 4.640 -0.000 0.000 0.239 307 D C 0.139 176.345 176.300 -0.156 0.000 1.142 307 D CA -0.045 53.930 54.000 -0.041 0.000 0.847 307 D CB 0.860 41.607 40.800 -0.089 0.000 1.082 307 D HN 0.257 nan 8.370 nan 0.000 0.480 308 F N 0.834 120.848 119.950 0.108 0.000 2.695 308 F HA 0.104 4.631 4.527 -0.000 0.000 0.303 308 F C 1.152 176.994 175.800 0.070 0.000 1.091 308 F CA -0.464 57.587 58.000 0.085 0.000 1.300 308 F CB 0.480 39.535 39.000 0.091 0.000 1.071 308 F HN 0.223 nan 8.300 nan 0.000 0.578 309 D N 2.114 122.647 120.400 0.223 0.000 2.508 309 D HA 0.152 4.792 4.640 -0.000 0.000 0.224 309 D C -0.222 176.134 176.300 0.093 0.000 1.171 309 D CA 0.227 54.315 54.000 0.146 0.000 1.006 309 D CB -0.099 40.776 40.800 0.126 0.000 1.073 309 D HN 0.196 nan 8.370 nan 0.000 0.513 310 R N 3.993 124.543 120.500 0.084 0.000 2.850 310 R HA 0.157 4.497 4.340 -0.000 0.000 0.266 310 R C -1.706 174.622 176.300 0.047 0.000 1.782 310 R CA -1.043 55.083 56.100 0.043 0.000 1.310 310 R CB 1.713 32.026 30.300 0.022 0.000 1.337 310 R HN 0.168 nan 8.270 nan 0.000 0.546 311 P HA -0.227 nan 4.420 nan 0.000 0.217 311 P C 0.210 177.544 177.300 0.056 0.000 1.148 311 P CA 1.411 64.540 63.100 0.047 0.000 0.834 311 P CB 0.385 32.107 31.700 0.037 0.000 0.783 312 K N -0.267 120.154 120.400 0.035 0.000 2.410 312 K HA 0.147 4.467 4.320 -0.000 0.000 0.200 312 K C 0.977 177.661 176.600 0.139 0.000 1.023 312 K CA -0.194 56.145 56.287 0.086 0.000 1.149 312 K CB 0.174 32.669 32.500 -0.008 0.000 0.859 312 K HN 0.024 nan 8.250 nan 0.000 0.514 313 S N 1.407 117.160 115.700 0.089 0.000 2.568 313 S HA 0.024 4.494 4.470 -0.000 0.000 0.282 313 S C 1.347 176.026 174.600 0.131 0.000 1.338 313 S CA -0.534 57.728 58.200 0.104 0.000 1.045 313 S CB 0.368 63.615 63.200 0.078 0.000 0.873 313 S HN 0.364 nan 8.310 nan 0.000 0.516 314 I N 2.079 122.728 120.570 0.132 0.000 3.176 314 I HA 0.337 4.507 4.170 -0.000 0.000 0.275 314 I C 1.217 177.378 176.117 0.074 0.000 1.298 314 I CA 0.455 61.815 61.300 0.101 0.000 1.445 314 I CB -1.139 36.910 38.000 0.082 0.000 1.075 314 I HN 0.863 nan 8.210 nan 0.000 0.482 315 G N 1.349 110.197 108.800 0.079 0.000 2.460 315 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.207 315 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.207 315 G C -0.539 174.408 174.900 0.078 0.000 1.170 315 G CA -0.531 44.616 45.100 0.078 0.000 1.151 315 G HN 0.348 nan 8.290 nan 0.000 0.575 316 R N -0.193 120.349 120.500 0.069 0.000 2.637 316 R HA 0.575 4.914 4.340 -0.000 0.000 0.291 316 R C 1.071 177.395 176.300 0.040 0.000 0.963 316 R CA -0.050 56.090 56.100 0.066 0.000 0.901 316 R CB 1.971 32.318 30.300 0.078 0.000 1.160 316 R HN 1.017 nan 8.270 nan 0.000 0.457 317 V N -0.507 119.424 119.914 0.028 0.000 3.645 317 V HA 0.351 4.471 4.120 -0.000 0.000 0.275 317 V C 0.008 176.204 176.094 0.171 0.000 1.356 317 V CA 0.145 62.467 62.300 0.035 0.000 1.051 317 V CB -0.340 31.375 31.823 -0.179 0.000 0.828 317 V HN 0.796 nan 8.190 nan 0.000 0.441 318 R N -1.269 119.294 120.500 0.105 0.000 2.752 318 R HA 0.581 4.921 4.340 -0.000 0.000 0.277 318 R C -0.968 175.291 176.300 -0.068 0.000 1.024 318 R CA 0.042 56.180 56.100 0.063 0.000 0.866 318 R CB 0.436 30.834 30.300 0.163 0.000 1.278 318 R HN -0.054 nan 8.270 nan 0.000 0.473 319 S N 1.251 116.821 115.700 -0.217 0.000 2.576 319 S HA 0.554 5.024 4.470 -0.000 0.000 0.276 319 S C -0.246 174.021 174.600 -0.554 0.000 1.339 319 S CA 0.319 58.178 58.200 -0.567 0.000 1.039 319 S CB -0.394 62.217 63.200 -0.982 0.000 0.902 319 S HN 0.438 nan 8.310 nan 0.000 0.516 320 F N -0.541 119.277 119.950 -0.222 0.000 2.183 320 F HA -0.311 4.216 4.527 -0.000 0.000 0.318 320 F C 0.749 176.235 175.800 -0.524 0.000 0.287 320 F CA 0.939 58.543 58.000 -0.659 0.000 0.912 320 F CB -1.411 37.144 39.000 -0.742 0.000 4.135 320 F HN 0.676 nan 8.300 nan 0.000 0.137 321 Y N 0.494 120.949 120.300 0.258 0.000 2.527 321 Y HA 0.604 5.154 4.550 -0.000 0.000 0.247 321 Y C 0.933 176.886 175.900 0.088 0.000 1.138 321 Y CA -0.265 57.907 58.100 0.120 0.000 1.228 321 Y CB 0.594 39.096 38.460 0.070 0.000 1.252 321 Y HN 1.017 nan 8.280 nan 0.000 0.531 322 G N 0.298 109.199 108.800 0.169 0.000 2.340 322 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.527 322 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.527 322 G C -1.380 173.591 174.900 0.119 0.000 1.381 322 G CA -1.297 43.880 45.100 0.128 0.000 1.001 322 G HN -0.042 nan 8.290 nan 0.000 0.626 323 N N 0.844 119.585 118.700 0.069 0.000 2.819 323 N HA 0.177 4.916 4.740 -0.000 0.000 0.284 323 N C 1.210 176.740 175.510 0.032 0.000 1.196 323 N CA -0.311 52.764 53.050 0.041 0.000 1.114 323 N CB -0.004 38.475 38.487 -0.013 0.000 1.437 323 N HN 0.498 nan 8.380 nan 0.000 0.518 324 F N 1.589 121.506 119.950 -0.055 0.000 2.085 324 F HA -0.278 4.249 4.527 -0.000 0.000 0.299 324 F C 1.573 177.295 175.800 -0.131 0.000 1.096 324 F CA 1.490 59.433 58.000 -0.095 0.000 1.227 324 F CB 0.093 39.041 39.000 -0.087 0.000 0.983 324 F HN 0.245 nan 8.300 nan 0.000 0.482 325 L N 0.067 121.188 121.223 -0.171 0.000 2.265 325 L HA -0.112 4.228 4.340 -0.000 0.000 0.215 325 L C 2.578 179.291 176.870 -0.262 0.000 1.117 325 L CA 1.657 56.348 54.840 -0.249 0.000 0.782 325 L CB -1.887 40.140 42.059 -0.053 0.000 0.914 325 L HN 0.298 nan 8.230 nan 0.000 0.441 326 A N -1.147 121.552 122.820 -0.202 0.000 1.930 326 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 326 A C 2.233 179.691 177.584 -0.209 0.000 1.176 326 A CA 0.742 52.684 52.037 -0.158 0.000 0.632 326 A CB -0.410 18.529 19.000 -0.103 0.000 0.819 326 A HN 0.352 nan 8.150 nan 0.000 0.445 327 L N -0.386 120.663 121.223 -0.291 0.000 2.083 327 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 327 L C 2.440 179.076 176.870 -0.390 0.000 1.083 327 L CA 0.874 55.528 54.840 -0.309 0.000 0.752 327 L CB -0.720 41.148 42.059 -0.318 0.000 0.899 327 L HN 0.214 nan 8.230 nan 0.000 0.433 328 V N 0.112 119.640 119.914 -0.643 0.000 2.295 328 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 328 V C 2.670 178.606 176.094 -0.263 0.000 1.049 328 V CA 1.779 63.707 62.300 -0.619 0.000 1.024 328 V CB -0.620 30.735 31.823 -0.781 0.000 0.648 328 V HN 0.429 nan 8.190 nan 0.000 0.447 329 R N 0.195 120.547 120.500 -0.245 0.000 2.081 329 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 329 R C 2.443 178.571 176.300 -0.287 0.000 1.131 329 R CA 1.534 57.476 56.100 -0.264 0.000 0.960 329 R CB -0.652 29.565 30.300 -0.138 0.000 0.856 329 R HN 0.538 nan 8.270 nan 0.000 0.436 330 A N 0.479 123.227 122.820 -0.121 0.000 1.902 330 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 330 A C 1.922 179.544 177.584 0.062 0.000 1.181 330 A CA 1.139 53.172 52.037 -0.007 0.000 0.623 330 A CB -0.854 18.091 19.000 -0.092 0.000 0.818 330 A HN 0.610 nan 8.150 nan 0.000 0.443 331 W N 0.675 121.880 121.300 -0.159 0.000 2.335 331 W HA -0.175 4.485 4.660 -0.000 0.000 0.311 331 W C 2.439 178.921 176.519 -0.062 0.000 1.213 331 W CA 2.467 59.769 57.345 -0.071 0.000 1.274 331 W CB -0.144 29.234 29.460 -0.137 0.000 1.148 331 W HN 0.355 nan 8.180 nan 0.000 0.498 332 A N -0.626 122.356 122.820 0.269 0.000 1.908 332 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 332 A C 1.833 179.405 177.584 -0.020 0.000 1.181 332 A CA 1.784 53.892 52.037 0.118 0.000 0.627 332 A CB -1.621 17.384 19.000 0.009 0.000 0.818 332 A HN 0.583 nan 8.150 nan 0.000 0.445 333 Y N 0.479 120.643 120.300 -0.228 0.000 2.114 333 Y HA -0.185 4.365 4.550 -0.000 0.000 0.284 333 Y C 2.033 177.913 175.900 -0.033 0.000 1.143 333 Y CA 1.654 59.764 58.100 0.017 0.000 1.135 333 Y CB -0.403 38.129 38.460 0.120 0.000 0.980 333 Y HN 0.272 nan 8.280 nan 0.000 0.499 334 I N -0.205 120.294 120.570 -0.118 0.000 2.226 334 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 334 I C 2.198 178.026 176.117 -0.482 0.000 1.100 334 I CA 1.128 62.234 61.300 -0.324 0.000 1.374 334 I CB -0.336 37.501 38.000 -0.272 0.000 1.057 334 I HN 0.103 nan 8.210 nan 0.000 0.413 335 R N 0.217 120.373 120.500 -0.574 0.000 2.235 335 R HA -0.023 4.317 4.340 -0.000 0.000 0.213 335 R C 2.053 178.150 176.300 -0.338 0.000 1.059 335 R CA 1.006 56.743 56.100 -0.605 0.000 0.997 335 R CB -0.965 28.777 30.300 -0.929 0.000 0.884 335 R HN 0.369 nan 8.270 nan 0.000 0.462 336 T N 0.959 115.375 114.554 -0.229 0.000 2.814 336 T HA 0.019 4.369 4.350 -0.000 0.000 0.254 336 T C 1.790 176.393 174.700 -0.161 0.000 1.037 336 T CA 0.542 62.573 62.100 -0.116 0.000 1.143 336 T CB -0.003 68.878 68.868 0.022 0.000 0.866 336 T HN -0.017 nan 8.240 nan 0.000 0.431 337 L N 0.672 121.742 121.223 -0.255 0.000 2.131 337 L HA 0.319 4.659 4.340 -0.000 0.000 0.206 337 L C 1.593 178.318 176.870 -0.241 0.000 1.087 337 L CA 1.108 55.791 54.840 -0.261 0.000 0.767 337 L CB -1.260 40.557 42.059 -0.403 0.000 0.917 337 L HN 0.534 nan 8.230 nan 0.000 0.441 338 G N -1.015 107.610 108.800 -0.291 0.000 2.877 338 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.279 338 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.279 338 G C 0.482 175.238 174.900 -0.239 0.000 1.431 338 G CA -0.034 44.904 45.100 -0.271 0.000 0.883 338 G HN 0.241 nan 8.290 nan 0.000 0.547 339 L N -0.037 121.055 121.223 -0.217 0.000 2.012 339 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 339 L C 2.723 179.476 176.870 -0.196 0.000 1.073 339 L CA 3.177 57.898 54.840 -0.199 0.000 0.748 339 L CB -0.659 41.287 42.059 -0.188 0.000 0.891 339 L HN 0.695 nan 8.230 nan 0.000 0.431 340 E N -0.027 120.067 120.200 -0.177 0.000 2.118 340 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 340 E C 2.143 178.669 176.600 -0.124 0.000 0.992 340 E CA 1.222 57.528 56.400 -0.156 0.000 0.804 340 E CB -0.853 28.772 29.700 -0.125 0.000 0.741 340 E HN 0.663 nan 8.360 nan 0.000 0.458 341 G N 0.864 109.584 108.800 -0.134 0.000 2.402 341 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 341 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 341 G C 1.751 176.583 174.900 -0.115 0.000 1.162 341 G CA 0.389 45.419 45.100 -0.118 0.000 0.777 341 G HN 0.180 nan 8.290 nan 0.000 0.539 342 L N -0.136 120.993 121.223 -0.157 0.000 2.056 342 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 342 L C 2.947 179.797 176.870 -0.032 0.000 1.078 342 L CA 1.113 55.880 54.840 -0.123 0.000 0.749 342 L CB -0.263 41.712 42.059 -0.139 0.000 0.901 342 L HN 0.157 nan 8.230 nan 0.000 0.433 343 K N 0.124 120.477 120.400 -0.078 0.000 2.097 343 K HA -0.216 4.104 4.320 -0.000 0.000 0.205 343 K C 2.176 178.928 176.600 0.254 0.000 1.050 343 K CA 1.223 57.483 56.287 -0.044 0.000 0.938 343 K CB -0.060 32.183 32.500 -0.429 0.000 0.718 343 K HN 0.162 nan 8.250 nan 0.000 0.442 344 K N 0.816 121.284 120.400 0.113 0.000 2.097 344 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 344 K C 2.088 178.767 176.600 0.132 0.000 1.050 344 K CA 1.052 57.424 56.287 0.142 0.000 0.938 344 K CB -0.040 32.495 32.500 0.058 0.000 0.718 344 K HN 0.101 nan 8.250 nan 0.000 0.442 345 A N 1.231 124.108 122.820 0.095 0.000 1.883 345 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 345 A C 2.347 179.996 177.584 0.108 0.000 1.186 345 A CA 2.009 54.101 52.037 0.092 0.000 0.624 345 A CB -0.923 18.127 19.000 0.082 0.000 0.822 345 A HN 0.472 nan 8.150 nan 0.000 0.444 346 A N -0.206 122.702 122.820 0.147 0.000 1.877 346 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 346 A C 2.540 180.171 177.584 0.078 0.000 1.186 346 A CA 2.304 54.425 52.037 0.140 0.000 0.620 346 A CB -1.126 18.031 19.000 0.260 0.000 0.822 346 A HN 1.126 nan 8.150 nan 0.000 0.443 347 A N -0.322 122.576 122.820 0.130 0.000 1.883 347 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 347 A C 2.139 179.718 177.584 -0.009 0.000 1.186 347 A CA 1.603 53.623 52.037 -0.028 0.000 0.624 347 A CB -0.612 18.453 19.000 0.109 0.000 0.822 347 A HN 0.481 nan 8.150 nan 0.000 0.444 348 L N -1.072 120.177 121.223 0.044 0.000 2.291 348 L HA -0.079 4.261 4.340 -0.000 0.000 0.214 348 L C 2.958 179.855 176.870 0.046 0.000 1.120 348 L CA 0.639 55.497 54.840 0.031 0.000 0.799 348 L CB -0.447 41.633 42.059 0.035 0.000 0.925 348 L HN 0.454 nan 8.230 nan 0.000 0.446 349 A N -0.184 122.674 122.820 0.064 0.000 1.898 349 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 349 A C 2.301 179.945 177.584 0.101 0.000 1.181 349 A CA 1.421 53.513 52.037 0.092 0.000 0.620 349 A CB -0.564 18.499 19.000 0.104 0.000 0.819 349 A HN 0.170 nan 8.150 nan 0.000 0.442 350 V N -0.331 119.621 119.914 0.064 0.000 2.379 350 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 350 V C 2.459 178.586 176.094 0.053 0.000 1.044 350 V CA 1.754 64.088 62.300 0.056 0.000 1.036 350 V CB -0.724 31.083 31.823 -0.027 0.000 0.664 350 V HN 0.567 nan 8.190 nan 0.000 0.453 351 L N 0.903 122.139 121.223 0.022 0.000 2.012 351 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 351 L C 2.176 179.098 176.870 0.086 0.000 1.073 351 L CA 2.017 56.873 54.840 0.027 0.000 0.748 351 L CB -1.035 41.014 42.059 -0.017 0.000 0.891 351 L HN 0.290 nan 8.230 nan 0.000 0.431 352 N N 0.065 118.817 118.700 0.087 0.000 2.069 352 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 352 N C 1.817 177.462 175.510 0.224 0.000 1.031 352 N CA 1.706 54.839 53.050 0.138 0.000 0.852 352 N CB -0.570 37.982 38.487 0.108 0.000 1.018 352 N HN 0.542 nan 8.380 nan 0.000 0.423 353 A N 0.939 123.886 122.820 0.211 0.000 1.858 353 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 353 A C 2.276 180.022 177.584 0.270 0.000 1.190 353 A CA 1.476 53.700 52.037 0.313 0.000 0.617 353 A CB -0.601 18.553 19.000 0.257 0.000 0.827 353 A HN 0.235 nan 8.150 nan 0.000 0.443 354 R N -2.235 118.356 120.500 0.150 0.000 2.105 354 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 354 R C 2.083 178.392 176.300 0.016 0.000 1.135 354 R CA 1.902 58.025 56.100 0.039 0.000 0.967 354 R CB -0.448 29.878 30.300 0.043 0.000 0.861 354 R HN 0.665 nan 8.270 nan 0.000 0.442 355 Y N 0.603 120.889 120.300 -0.024 0.000 2.163 355 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 355 Y C 1.877 177.757 175.900 -0.035 0.000 1.136 355 Y CA 1.552 59.634 58.100 -0.030 0.000 1.147 355 Y CB -0.404 38.053 38.460 -0.005 0.000 0.987 355 Y HN 0.103 nan 8.280 nan 0.000 0.509 356 L N 1.220 122.490 121.223 0.078 0.000 2.131 356 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 356 L C 2.340 179.110 176.870 -0.167 0.000 1.092 356 L CA 1.817 56.685 54.840 0.046 0.000 0.759 356 L CB -0.977 41.282 42.059 0.335 0.000 0.903 356 L HN 0.217 nan 8.230 nan 0.000 0.435 357 K N -0.594 119.496 120.400 -0.516 0.000 2.026 357 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 357 K C 1.906 178.207 176.600 -0.499 0.000 1.048 357 K CA 1.495 57.134 56.287 -1.079 0.000 0.929 357 K CB -0.033 31.728 32.500 -1.231 0.000 0.713 357 K HN 0.335 nan 8.250 nan 0.000 0.439 358 E N 1.137 121.117 120.200 -0.367 0.000 2.058 358 E HA -0.197 4.152 4.350 -0.000 0.000 0.194 358 E C 2.166 178.611 176.600 -0.258 0.000 0.997 358 E CA 1.080 57.314 56.400 -0.277 0.000 0.801 358 E CB -0.358 29.186 29.700 -0.259 0.000 0.746 358 E HN 0.378 nan 8.360 nan 0.000 0.450 359 L N 0.035 121.065 121.223 -0.323 0.000 2.046 359 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 359 L C 2.492 179.284 176.870 -0.130 0.000 1.077 359 L CA 0.663 55.358 54.840 -0.241 0.000 0.747 359 L CB -0.495 41.408 42.059 -0.261 0.000 0.896 359 L HN 0.130 nan 8.230 nan 0.000 0.432 360 L N -0.057 121.095 121.223 -0.118 0.000 2.056 360 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 360 L C 2.524 179.435 176.870 0.070 0.000 1.078 360 L CA 1.687 56.503 54.840 -0.039 0.000 0.749 360 L CB -0.650 41.354 42.059 -0.092 0.000 0.901 360 L HN 0.125 nan 8.230 nan 0.000 0.433 361 K N -0.667 119.714 120.400 -0.033 0.000 2.097 361 K HA -0.233 4.087 4.320 -0.000 0.000 0.206 361 K C 1.998 178.582 176.600 -0.026 0.000 1.049 361 K CA 1.457 57.732 56.287 -0.020 0.000 0.933 361 K CB -0.143 32.309 32.500 -0.080 0.000 0.717 361 K HN 0.341 nan 8.250 nan 0.000 0.442 362 E N 1.093 121.262 120.200 -0.052 0.000 2.160 362 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 362 E C 1.217 177.796 176.600 -0.036 0.000 0.991 362 E CA 1.084 57.452 56.400 -0.054 0.000 0.810 362 E CB 0.286 29.940 29.700 -0.076 0.000 0.742 362 E HN 0.028 nan 8.360 nan 0.000 0.466 363 K N -0.936 119.465 120.400 0.000 0.000 2.459 363 K HA 0.061 4.381 4.320 -0.000 0.000 0.193 363 K C 1.159 177.718 176.600 -0.067 0.000 1.030 363 K CA 0.845 57.135 56.287 0.005 0.000 1.026 363 K CB 0.900 33.459 32.500 0.099 0.000 0.809 363 K HN 0.338 nan 8.250 nan 0.000 0.504 364 G N 0.479 109.239 108.800 -0.066 0.000 2.184 364 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.206 364 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.206 364 G C -0.282 174.476 174.900 -0.238 0.000 0.995 364 G CA -0.497 44.503 45.100 -0.167 0.000 0.651 364 G HN 0.193 nan 8.290 nan 0.000 0.511 365 Y N 1.351 121.594 120.300 -0.095 0.000 2.336 365 Y HA 0.598 5.148 4.550 -0.000 0.000 0.331 365 Y C 1.456 177.326 175.900 -0.050 0.000 1.211 365 Y CA 0.013 58.071 58.100 -0.070 0.000 1.346 365 Y CB 0.582 39.014 38.460 -0.046 0.000 1.271 365 Y HN 0.146 nan 8.280 nan 0.000 0.538 366 R N 1.123 121.678 120.500 0.092 0.000 2.540 366 R HA 0.675 5.015 4.340 -0.000 0.000 0.287 366 R C -1.454 174.887 176.300 0.068 0.000 0.980 366 R CA -1.005 55.120 56.100 0.042 0.000 0.966 366 R CB 1.466 31.767 30.300 0.003 0.000 1.106 366 R HN 0.356 nan 8.270 nan 0.000 0.480 367 V N 3.977 123.908 119.914 0.028 0.000 2.327 367 V HA 0.160 4.280 4.120 -0.000 0.000 0.272 367 V C -1.431 174.654 176.094 -0.014 0.000 1.019 367 V CA -1.263 61.064 62.300 0.045 0.000 0.814 367 V CB 1.380 33.221 31.823 0.031 0.000 1.040 367 V HN 0.786 nan 8.190 nan 0.000 0.440 368 P HA -0.141 nan 4.420 nan 0.000 0.217 368 P C -0.031 177.013 177.300 -0.427 0.000 1.148 368 P CA 1.391 64.320 63.100 -0.284 0.000 0.828 368 P CB 0.180 31.658 31.700 -0.369 0.000 0.783 369 Y N 1.055 121.374 120.300 0.032 0.000 2.863 369 Y HA 0.205 4.755 4.550 -0.000 0.000 0.348 369 Y C 0.346 176.268 175.900 0.038 0.000 1.028 369 Y CA -1.441 56.677 58.100 0.031 0.000 1.213 369 Y CB 0.203 38.681 38.460 0.031 0.000 1.120 369 Y HN -0.063 nan 8.280 nan 0.000 0.598 370 D N 0.426 120.896 120.400 0.117 0.000 2.970 370 D HA 0.237 4.877 4.640 -0.000 0.000 0.282 370 D C 0.664 177.002 176.300 0.063 0.000 1.291 370 D CA -0.173 53.872 54.000 0.076 0.000 0.967 370 D CB 0.288 41.096 40.800 0.014 0.000 1.017 370 D HN 0.557 nan 8.370 nan 0.000 0.512 371 G N 1.240 110.097 108.800 0.095 0.000 2.553 371 G HA2 0.324 4.284 3.960 -0.000 0.000 0.278 371 G HA3 0.324 4.284 3.960 -0.000 0.000 0.278 371 G C -2.193 172.745 174.900 0.063 0.000 1.349 371 G CA -1.235 43.910 45.100 0.076 0.000 1.037 371 G HN 0.198 nan 8.290 nan 0.000 0.508 372 P HA 0.068 nan 4.420 nan 0.000 0.259 372 P C 0.089 177.430 177.300 0.068 0.000 1.211 372 P CA 0.142 63.267 63.100 0.041 0.000 0.810 372 P CB 0.633 32.349 31.700 0.026 0.000 0.815 373 S N 4.587 120.326 115.700 0.064 0.000 2.549 373 S HA 0.199 4.669 4.470 -0.000 0.000 0.283 373 S C 0.969 175.637 174.600 0.113 0.000 1.320 373 S CA -0.463 57.800 58.200 0.106 0.000 1.058 373 S CB -0.055 63.209 63.200 0.107 0.000 0.882 373 S HN 0.184 nan 8.310 nan 0.000 0.498 374 M N 2.927 122.622 119.600 0.158 0.000 2.307 374 M HA 0.195 4.675 4.480 -0.000 0.000 0.212 374 M C 1.933 178.360 176.300 0.212 0.000 1.447 374 M CA 0.503 55.912 55.300 0.181 0.000 1.872 374 M CB -1.791 30.967 32.600 0.264 0.000 1.106 374 M HN 0.959 nan 8.290 nan 0.000 0.903 375 H N 0.809 119.926 119.070 0.077 0.000 2.555 375 H HA 0.182 4.738 4.556 -0.000 0.000 0.269 375 H C -0.238 175.133 175.328 0.072 0.000 0.988 375 H CA 0.618 56.706 56.048 0.066 0.000 1.178 375 H CB -0.075 29.712 29.762 0.041 0.000 1.373 375 H HN 0.616 nan 8.280 nan 0.000 0.588 376 E N -0.176 119.833 120.200 -0.318 0.000 2.447 376 E HA 0.480 4.830 4.350 -0.000 0.000 0.279 376 E C -1.432 175.141 176.600 -0.044 0.000 1.053 376 E CA -1.160 55.050 56.400 -0.317 0.000 0.840 376 E CB 1.842 31.183 29.700 -0.598 0.000 1.409 376 E HN 0.112 nan 8.360 nan 0.000 0.461 377 F N -1.726 118.173 119.950 -0.085 0.000 2.686 377 F HA 0.720 5.247 4.527 -0.000 0.000 0.311 377 F C -1.806 173.987 175.800 -0.011 0.000 1.128 377 F CA -1.215 56.770 58.000 -0.026 0.000 0.946 377 F CB 1.376 40.374 39.000 -0.003 0.000 1.336 377 F HN 0.214 nan 8.300 nan 0.000 0.457 378 V N 2.265 122.318 119.914 0.232 0.000 2.350 378 V HA 0.803 4.923 4.120 -0.000 0.000 0.285 378 V C 0.077 176.314 176.094 0.237 0.000 1.014 378 V CA -0.346 62.034 62.300 0.133 0.000 0.831 378 V CB 0.569 32.448 31.823 0.094 0.000 1.000 378 V HN 1.193 nan 8.190 nan 0.000 0.433 379 A N 4.840 127.796 122.820 0.227 0.000 2.261 379 A HA 0.909 5.229 4.320 -0.000 0.000 0.323 379 A C -0.505 177.168 177.584 0.149 0.000 1.107 379 A CA -0.639 51.537 52.037 0.232 0.000 0.883 379 A CB 1.370 20.553 19.000 0.306 0.000 1.251 379 A HN 0.742 nan 8.150 nan 0.000 0.502 380 Q N 0.332 120.233 119.800 0.168 0.000 2.359 380 Q HA 0.433 4.773 4.340 -0.000 0.000 0.274 380 Q C -2.713 173.389 176.000 0.170 0.000 1.074 380 Q CA -1.971 53.906 55.803 0.123 0.000 0.810 380 Q CB 2.992 31.769 28.738 0.065 0.000 1.342 380 Q HN 0.585 nan 8.270 nan 0.000 0.427 381 P HA 0.139 nan 4.420 nan 0.000 0.274 381 P C -2.603 174.635 177.300 -0.103 0.000 1.246 381 P CA -1.299 61.785 63.100 -0.027 0.000 0.795 381 P CB -0.006 31.734 31.700 0.067 0.000 1.006 382 P HA 0.000 nan 4.420 nan 0.000 0.269 382 P C 0.122 177.495 177.300 0.121 0.000 1.215 382 P CA 0.177 63.219 63.100 -0.096 0.000 0.780 382 P CB 0.240 31.831 31.700 -0.183 0.000 0.898 383 E N 1.076 121.327 120.200 0.084 0.000 2.568 383 E HA 0.018 4.368 4.350 -0.000 0.000 0.262 383 E C 1.183 177.856 176.600 0.121 0.000 0.961 383 E CA 0.760 57.212 56.400 0.087 0.000 0.945 383 E CB -0.851 28.872 29.700 0.038 0.000 0.924 383 E HN 0.859 nan 8.360 nan 0.000 0.467 384 G N 2.041 110.871 108.800 0.050 0.000 2.284 384 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 384 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 384 G C -0.176 174.596 174.900 -0.213 0.000 1.009 384 G CA -0.101 44.933 45.100 -0.111 0.000 0.625 384 G HN 0.397 nan 8.290 nan 0.000 0.501 385 F N 3.009 122.956 119.950 -0.004 0.000 2.422 385 F HA 0.772 5.299 4.527 -0.000 0.000 0.333 385 F C 0.848 176.671 175.800 0.039 0.000 1.095 385 F CA -1.074 56.935 58.000 0.015 0.000 1.038 385 F CB 1.213 40.209 39.000 -0.007 0.000 1.156 385 F HN 0.129 nan 8.300 nan 0.000 0.483 386 R N 1.725 122.366 120.500 0.236 0.000 2.460 386 R HA 0.678 5.018 4.340 -0.000 0.000 0.303 386 R C 0.339 176.755 176.300 0.192 0.000 0.968 386 R CA -0.467 55.756 56.100 0.204 0.000 0.889 386 R CB 0.550 30.965 30.300 0.192 0.000 1.123 386 R HN 0.742 nan 8.270 nan 0.000 0.455 387 A N 2.615 125.501 122.820 0.111 0.000 1.948 387 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 387 A C 1.888 179.517 177.584 0.074 0.000 1.177 387 A CA 1.657 53.684 52.037 -0.017 0.000 0.636 387 A CB -0.472 18.292 19.000 -0.394 0.000 0.815 387 A HN 0.698 nan 8.150 nan 0.000 0.449 388 L N 0.270 121.640 121.223 0.245 0.000 1.989 388 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 388 L C 1.741 178.689 176.870 0.129 0.000 1.071 388 L CA 2.738 57.728 54.840 0.251 0.000 0.749 388 L CB -0.720 41.505 42.059 0.276 0.000 0.890 388 L HN 0.398 nan 8.230 nan 0.000 0.431 389 D N -0.575 119.903 120.400 0.131 0.000 2.144 389 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 389 D C 2.347 178.720 176.300 0.122 0.000 0.984 389 D CA 1.534 55.596 54.000 0.104 0.000 0.834 389 D CB -0.112 40.766 40.800 0.130 0.000 0.955 389 D HN 0.409 nan 8.370 nan 0.000 0.465 390 L N 0.795 122.104 121.223 0.144 0.000 2.093 390 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 390 L C 2.627 179.539 176.870 0.070 0.000 1.085 390 L CA 0.877 55.794 54.840 0.129 0.000 0.755 390 L CB -0.411 41.725 42.059 0.129 0.000 0.904 390 L HN -0.032 nan 8.230 nan 0.000 0.435 391 A N 0.091 122.940 122.820 0.047 0.000 1.877 391 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 391 A C 2.284 179.859 177.584 -0.016 0.000 1.186 391 A CA 1.476 53.517 52.037 0.008 0.000 0.620 391 A CB -0.280 18.726 19.000 0.010 0.000 0.822 391 A HN 0.195 nan 8.150 nan 0.000 0.443 392 K N -0.343 120.046 120.400 -0.017 0.000 2.148 392 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 392 K C 2.045 178.614 176.600 -0.051 0.000 1.050 392 K CA 1.178 57.423 56.287 -0.071 0.000 0.942 392 K CB -1.071 31.361 32.500 -0.115 0.000 0.724 392 K HN 0.479 nan 8.250 nan 0.000 0.446 393 G N 1.423 110.248 108.800 0.042 0.000 2.402 393 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 393 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 393 G C 1.684 176.705 174.900 0.201 0.000 1.162 393 G CA 0.326 45.541 45.100 0.192 0.000 0.777 393 G HN 0.157 nan 8.290 nan 0.000 0.539 394 L N -0.399 120.894 121.223 0.117 0.000 2.042 394 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 394 L C 2.786 179.755 176.870 0.166 0.000 1.076 394 L CA 0.305 55.228 54.840 0.139 0.000 0.749 394 L CB -0.358 41.746 42.059 0.074 0.000 0.893 394 L HN 0.140 nan 8.230 nan 0.000 0.432 395 L N -0.070 121.182 121.223 0.049 0.000 2.042 395 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 395 L C 2.572 179.469 176.870 0.044 0.000 1.076 395 L CA 1.708 56.546 54.840 -0.004 0.000 0.749 395 L CB -0.772 41.236 42.059 -0.086 0.000 0.893 395 L HN 0.239 nan 8.230 nan 0.000 0.432 396 E N -0.723 119.521 120.200 0.073 0.000 2.150 396 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 396 E C 1.774 178.501 176.600 0.212 0.000 0.985 396 E CA 0.974 57.455 56.400 0.134 0.000 0.814 396 E CB -0.164 29.637 29.700 0.169 0.000 0.752 396 E HN 0.230 nan 8.360 nan 0.000 0.466 397 L N -0.476 120.900 121.223 0.255 0.000 2.599 397 L HA 0.286 4.626 4.340 -0.000 0.000 0.230 397 L C 1.520 178.470 176.870 0.135 0.000 1.141 397 L CA 1.101 56.100 54.840 0.266 0.000 0.877 397 L CB -0.330 41.959 42.059 0.383 0.000 1.009 397 L HN 0.354 nan 8.230 nan 0.000 0.447 398 G N -1.933 106.903 108.800 0.061 0.000 2.141 398 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.242 398 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.242 398 G C 0.238 175.010 174.900 -0.213 0.000 0.982 398 G CA -0.037 45.002 45.100 -0.102 0.000 0.662 398 G HN 0.212 nan 8.290 nan 0.000 0.527 399 F N -0.411 119.592 119.950 0.088 0.000 2.572 399 F HA 0.750 5.277 4.527 -0.000 0.000 0.342 399 F C 0.621 176.454 175.800 0.056 0.000 1.064 399 F CA -1.048 57.038 58.000 0.143 0.000 1.008 399 F CB 1.309 40.461 39.000 0.254 0.000 1.303 399 F HN 0.055 nan 8.300 nan 0.000 0.492 400 H N 2.498 121.674 119.070 0.177 0.000 2.495 400 H HA 0.374 4.930 4.556 -0.000 0.000 0.348 400 H C -2.710 172.607 175.328 -0.017 0.000 1.113 400 H CA -2.193 53.785 56.048 -0.116 0.000 1.195 400 H CB 2.228 31.634 29.762 -0.593 0.000 1.521 400 H HN 0.220 nan 8.280 nan 0.000 0.509 401 P HA 0.165 nan 4.420 nan 0.000 0.274 401 P C -2.745 174.618 177.300 0.105 0.000 1.256 401 P CA -1.251 61.900 63.100 0.084 0.000 0.795 401 P CB 0.953 32.634 31.700 -0.031 0.000 1.038 402 P HA 0.125 nan 4.420 nan 0.000 0.312 402 P C -0.237 177.059 177.300 -0.007 0.000 1.308 402 P CA -0.130 62.932 63.100 -0.063 0.000 0.743 402 P CB 0.049 31.684 31.700 -0.108 0.000 1.364 403 T N 0.151 114.688 114.554 -0.029 0.000 2.901 403 T HA 0.319 4.669 4.350 -0.000 0.000 0.301 403 T C 0.167 174.879 174.700 0.020 0.000 1.012 403 T CA -0.101 62.016 62.100 0.028 0.000 1.135 403 T CB -0.161 68.735 68.868 0.046 0.000 0.936 403 T HN 0.289 nan 8.240 nan 0.000 0.539 404 V N 2.074 122.019 119.914 0.052 0.000 2.715 404 V HA 0.550 4.670 4.120 -0.000 0.000 0.310 404 V C -0.661 175.487 176.094 0.090 0.000 1.054 404 V CA -1.140 61.133 62.300 -0.045 0.000 0.928 404 V CB 0.755 32.535 31.823 -0.071 0.000 1.007 404 V HN 0.904 nan 8.190 nan 0.000 0.437 405 Y N 1.482 121.848 120.300 0.110 0.000 3.689 405 Y HA -0.140 4.410 4.550 -0.000 0.000 0.221 405 Y C -0.454 175.563 175.900 0.195 0.000 1.247 405 Y CA 1.475 59.645 58.100 0.117 0.000 1.671 405 Y CB -2.022 36.495 38.460 0.095 0.000 1.521 405 Y HN 0.894 nan 8.280 nan 0.000 0.632 406 F N 0.786 120.783 119.950 0.079 0.000 2.654 406 F HA 0.616 5.143 4.527 -0.000 0.000 0.314 406 F C -2.706 173.112 175.800 0.031 0.000 1.116 406 F CA -2.296 55.741 58.000 0.062 0.000 1.017 406 F CB 1.792 40.828 39.000 0.059 0.000 1.285 406 F HN -0.250 nan 8.300 nan 0.000 0.448 407 P HA 0.154 nan 4.420 nan 0.000 0.272 407 P C 0.722 177.714 177.300 -0.514 0.000 1.240 407 P CA -0.141 62.162 63.100 -1.329 0.000 0.791 407 P CB 1.185 32.362 31.700 -0.871 0.000 0.978 408 L N 0.944 121.924 121.223 -0.405 0.000 2.456 408 L HA -0.069 4.271 4.340 -0.000 0.000 0.224 408 L C 2.039 178.882 176.870 -0.045 0.000 1.148 408 L CA 1.002 55.785 54.840 -0.095 0.000 0.825 408 L CB -0.801 41.244 42.059 -0.023 0.000 0.937 408 L HN 0.406 nan 8.230 nan 0.000 0.450 409 I N -3.214 117.311 120.570 -0.076 0.000 3.749 409 I HA 0.108 4.278 4.170 -0.000 0.000 0.314 409 I C 0.031 176.197 176.117 0.082 0.000 1.267 409 I CA 0.092 61.398 61.300 0.010 0.000 1.169 409 I CB 0.010 38.011 38.000 0.001 0.000 1.009 409 I HN -0.170 nan 8.210 nan 0.000 0.444 410 V N 1.709 121.657 119.914 0.056 0.000 2.447 410 V HA 0.291 4.411 4.120 -0.000 0.000 0.292 410 V C -0.155 175.981 176.094 0.070 0.000 1.021 410 V CA -0.780 61.569 62.300 0.083 0.000 0.850 410 V CB 1.572 33.451 31.823 0.092 0.000 1.005 410 V HN 0.180 nan 8.190 nan 0.000 0.426 411 K N 3.708 124.153 120.400 0.075 0.000 2.448 411 K HA 0.251 4.571 4.320 -0.000 0.000 0.278 411 K C 0.668 177.316 176.600 0.080 0.000 1.009 411 K CA 0.284 56.631 56.287 0.101 0.000 0.995 411 K CB 0.111 32.662 32.500 0.086 0.000 0.917 411 K HN 0.616 nan 8.250 nan 0.000 0.481 412 E N -0.699 119.568 120.200 0.112 0.000 2.476 412 E HA -0.245 4.105 4.350 -0.000 0.000 0.251 412 E C -0.662 175.828 176.600 -0.184 0.000 1.130 412 E CA 0.984 57.347 56.400 -0.062 0.000 0.736 412 E CB -2.004 27.723 29.700 0.046 0.000 1.298 412 E HN 0.695 nan 8.360 nan 0.000 0.400 413 A N 0.518 123.234 122.820 -0.173 0.000 2.540 413 A HA 0.327 4.647 4.320 -0.000 0.000 0.239 413 A C 0.630 178.114 177.584 -0.167 0.000 1.061 413 A CA 0.363 52.334 52.037 -0.110 0.000 0.758 413 A CB 0.291 19.265 19.000 -0.044 0.000 0.991 413 A HN 0.274 nan 8.150 nan 0.000 0.502 414 L N 3.594 124.770 121.223 -0.077 0.000 2.417 414 L HA 0.319 4.659 4.340 -0.000 0.000 0.259 414 L C 0.001 176.807 176.870 -0.107 0.000 1.023 414 L CA 0.018 54.809 54.840 -0.083 0.000 0.901 414 L CB 1.042 43.077 42.059 -0.041 0.000 1.227 414 L HN 0.852 nan 8.230 nan 0.000 0.454 415 M N 4.295 123.831 119.600 -0.107 0.000 2.135 415 M HA 0.357 4.837 4.480 -0.000 0.000 0.345 415 M C -1.164 174.967 176.300 -0.282 0.000 1.340 415 M CA -0.366 54.841 55.300 -0.155 0.000 1.162 415 M CB 0.601 33.194 32.600 -0.011 0.000 1.570 415 M HN 0.227 nan 8.290 nan 0.000 0.454 416 V N 5.155 124.726 119.914 -0.572 0.000 2.370 416 V HA 0.405 4.525 4.120 -0.000 0.000 0.283 416 V C -0.347 175.388 176.094 -0.597 0.000 1.023 416 V CA -0.560 61.339 62.300 -0.668 0.000 0.857 416 V CB 1.423 32.665 31.823 -0.969 0.000 0.985 416 V HN 0.816 nan 8.190 nan 0.000 0.443 417 E N 7.746 127.733 120.200 -0.356 0.000 2.325 417 E HA 0.378 4.728 4.350 -0.000 0.000 0.248 417 E C -2.197 174.332 176.600 -0.119 0.000 0.912 417 E CA -1.656 54.613 56.400 -0.219 0.000 0.782 417 E CB 2.651 32.242 29.700 -0.182 0.000 1.264 417 E HN 0.428 nan 8.360 nan 0.000 0.417 418 P HA -0.068 nan 4.420 nan 0.000 0.227 418 P C 0.051 177.467 177.300 0.193 0.000 1.161 418 P CA 1.084 64.305 63.100 0.201 0.000 0.788 418 P CB -0.062 31.830 31.700 0.320 0.000 0.822 419 T N -1.110 113.516 114.554 0.121 0.000 0.541 419 T HA -0.143 4.207 4.350 -0.000 0.000 0.774 419 T C 0.945 175.712 174.700 0.112 0.000 0.992 419 T CA 0.535 62.703 62.100 0.112 0.000 4.077 419 T CB -1.377 67.550 68.868 0.098 0.000 2.303 419 T HN 0.371 nan 8.240 nan 0.000 0.398 420 E N 0.585 120.843 120.200 0.097 0.000 2.358 420 E HA -0.065 4.285 4.350 -0.000 0.000 0.195 420 E C 1.710 178.354 176.600 0.074 0.000 1.010 420 E CA 1.647 58.096 56.400 0.082 0.000 0.856 420 E CB -0.776 28.975 29.700 0.084 0.000 0.795 420 E HN 1.076 nan 8.360 nan 0.000 0.504 421 T N -1.222 113.388 114.554 0.093 0.000 3.129 421 T HA 0.076 4.426 4.350 -0.000 0.000 0.251 421 T C 0.549 175.274 174.700 0.042 0.000 1.117 421 T CA -0.170 61.979 62.100 0.081 0.000 1.034 421 T CB 0.141 69.092 68.868 0.139 0.000 0.968 421 T HN -0.077 nan 8.240 nan 0.000 0.526 422 E N 1.639 121.863 120.200 0.039 0.000 2.266 422 E HA 0.637 4.987 4.350 -0.000 0.000 0.277 422 E C -0.203 176.345 176.600 -0.087 0.000 1.018 422 E CA -0.417 55.957 56.400 -0.044 0.000 0.840 422 E CB 1.567 31.213 29.700 -0.091 0.000 1.082 422 E HN 0.448 nan 8.360 nan 0.000 0.395 423 A N 2.402 125.149 122.820 -0.122 0.000 2.322 423 A HA 0.126 4.446 4.320 -0.000 0.000 0.269 423 A C 1.358 178.876 177.584 -0.111 0.000 1.094 423 A CA -0.262 51.714 52.037 -0.101 0.000 0.807 423 A CB 0.538 19.489 19.000 -0.082 0.000 1.047 423 A HN 0.719 nan 8.150 nan 0.000 0.487 424 K N 0.644 120.986 120.400 -0.095 0.000 2.059 424 K HA -0.236 4.084 4.320 -0.000 0.000 0.212 424 K C 1.774 178.366 176.600 -0.014 0.000 1.050 424 K CA 2.235 58.469 56.287 -0.087 0.000 0.927 424 K CB -0.092 32.319 32.500 -0.149 0.000 0.714 424 K HN 0.867 nan 8.250 nan 0.000 0.447 425 E N -0.287 119.898 120.200 -0.024 0.000 2.204 425 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 425 E C 1.592 178.193 176.600 0.001 0.000 0.990 425 E CA 1.632 58.035 56.400 0.005 0.000 0.821 425 E CB -0.486 29.214 29.700 0.000 0.000 0.750 425 E HN 0.282 nan 8.360 nan 0.000 0.477 426 T N 2.136 116.646 114.554 -0.072 0.000 2.812 426 T HA 0.019 4.369 4.350 -0.000 0.000 0.264 426 T C 2.101 176.687 174.700 -0.191 0.000 1.042 426 T CA 1.102 63.116 62.100 -0.144 0.000 1.140 426 T CB -0.184 68.485 68.868 -0.331 0.000 0.870 426 T HN 0.117 nan 8.240 nan 0.000 0.445 427 L N 0.826 121.937 121.223 -0.187 0.000 2.042 427 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 427 L C 2.667 179.606 176.870 0.114 0.000 1.076 427 L CA 1.543 56.362 54.840 -0.034 0.000 0.749 427 L CB -0.703 41.425 42.059 0.114 0.000 0.893 427 L HN 0.331 nan 8.230 nan 0.000 0.432 428 E N 0.455 120.719 120.200 0.106 0.000 2.072 428 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 428 E C 2.353 178.988 176.600 0.059 0.000 0.985 428 E CA 1.108 57.560 56.400 0.087 0.000 0.801 428 E CB -0.212 29.549 29.700 0.101 0.000 0.750 428 E HN 0.500 nan 8.360 nan 0.000 0.452 429 A N 1.033 123.907 122.820 0.090 0.000 1.933 429 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 429 A C 1.971 179.537 177.584 -0.031 0.000 1.175 429 A CA 1.048 53.163 52.037 0.130 0.000 0.628 429 A CB -0.659 18.512 19.000 0.284 0.000 0.814 429 A HN 0.315 nan 8.150 nan 0.000 0.444 430 F N 0.937 120.754 119.950 -0.221 0.000 2.113 430 F HA -0.022 4.505 4.527 -0.000 0.000 0.297 430 F C 2.521 178.127 175.800 -0.323 0.000 1.103 430 F CA 1.178 58.895 58.000 -0.472 0.000 1.248 430 F CB -0.476 38.502 39.000 -0.037 0.000 0.999 430 F HN 0.239 nan 8.300 nan 0.000 0.475 431 A N -0.278 122.488 122.820 -0.090 0.000 1.933 431 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 431 A C 2.053 179.510 177.584 -0.212 0.000 1.175 431 A CA 1.855 53.791 52.037 -0.168 0.000 0.628 431 A CB -0.906 18.063 19.000 -0.052 0.000 0.814 431 A HN 0.448 nan 8.150 nan 0.000 0.444 432 E N 0.163 120.269 120.200 -0.156 0.000 2.110 432 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 432 E C 2.050 178.553 176.600 -0.162 0.000 0.988 432 E CA 1.466 57.798 56.400 -0.114 0.000 0.804 432 E CB -0.446 29.228 29.700 -0.045 0.000 0.745 432 E HN 0.496 nan 8.360 nan 0.000 0.458 433 A N 0.185 122.829 122.820 -0.294 0.000 1.898 433 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 433 A C 2.144 179.544 177.584 -0.306 0.000 1.181 433 A CA 1.633 53.490 52.037 -0.299 0.000 0.620 433 A CB -0.410 18.242 19.000 -0.579 0.000 0.819 433 A HN 0.232 nan 8.150 nan 0.000 0.442 434 M N -0.443 118.879 119.600 -0.464 0.000 2.117 434 M HA -0.118 4.362 4.480 -0.000 0.000 0.262 434 M C 2.288 178.557 176.300 -0.052 0.000 1.065 434 M CA 1.588 56.679 55.300 -0.348 0.000 1.114 434 M CB -1.690 30.560 32.600 -0.583 0.000 1.361 434 M HN 0.493 nan 8.290 nan 0.000 0.408 435 G N -0.236 108.524 108.800 -0.068 0.000 2.404 435 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.215 435 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.215 435 G C 1.647 176.501 174.900 -0.077 0.000 1.174 435 G CA 1.025 46.106 45.100 -0.032 0.000 0.780 435 G HN 0.536 nan 8.290 nan 0.000 0.537 436 A N 0.532 123.301 122.820 -0.084 0.000 1.978 436 A HA 0.083 4.403 4.320 -0.000 0.000 0.220 436 A C 2.386 179.916 177.584 -0.090 0.000 1.170 436 A CA 1.142 53.128 52.037 -0.086 0.000 0.636 436 A CB -0.363 18.591 19.000 -0.077 0.000 0.810 436 A HN 0.366 nan 8.150 nan 0.000 0.448 437 L N -0.699 120.485 121.223 -0.065 0.000 2.201 437 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 437 L C 2.084 178.944 176.870 -0.017 0.000 1.105 437 L CA 0.690 55.526 54.840 -0.007 0.000 0.775 437 L CB -0.392 41.696 42.059 0.048 0.000 0.913 437 L HN 0.385 nan 8.230 nan 0.000 0.440 438 L N -0.613 120.517 121.223 -0.156 0.000 2.551 438 L HA -0.128 4.212 4.340 -0.000 0.000 0.228 438 L C 1.984 178.843 176.870 -0.019 0.000 1.153 438 L CA 0.870 55.507 54.840 -0.338 0.000 0.851 438 L CB -0.306 41.418 42.059 -0.559 0.000 0.959 438 L HN 0.227 nan 8.230 nan 0.000 0.451 439 K N -0.590 119.799 120.400 -0.019 0.000 2.354 439 K HA 0.078 4.398 4.320 -0.000 0.000 0.194 439 K C 0.411 177.007 176.600 -0.006 0.000 1.038 439 K CA -0.149 56.137 56.287 -0.002 0.000 1.052 439 K CB 0.445 32.913 32.500 -0.053 0.000 0.861 439 K HN -0.049 nan 8.250 nan 0.000 0.535 440 K N 2.322 122.716 120.400 -0.010 0.000 2.295 440 K HA 0.108 4.428 4.320 -0.000 0.000 0.270 440 K C -2.428 174.230 176.600 0.097 0.000 1.011 440 K CA -2.008 54.238 56.287 -0.069 0.000 0.953 440 K CB 0.258 32.662 32.500 -0.161 0.000 0.956 440 K HN -0.085 nan 8.250 nan 0.000 0.477 441 P HA 0.017 nan 4.420 nan 0.000 0.269 441 P C -0.463 176.954 177.300 0.195 0.000 1.209 441 P CA -0.037 63.138 63.100 0.125 0.000 0.776 441 P CB 0.776 32.543 31.700 0.111 0.000 0.876 442 K N 1.411 121.873 120.400 0.103 0.000 2.074 442 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 442 K C 2.051 178.729 176.600 0.129 0.000 1.048 442 K CA 1.916 58.245 56.287 0.072 0.000 0.926 442 K CB -0.208 32.273 32.500 -0.031 0.000 0.713 442 K HN 0.571 nan 8.250 nan 0.000 0.444 443 E N -0.124 120.158 120.200 0.137 0.000 2.077 443 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 443 E C 1.834 178.570 176.600 0.227 0.000 0.989 443 E CA 1.163 57.649 56.400 0.143 0.000 0.800 443 E CB -0.146 29.626 29.700 0.120 0.000 0.746 443 E HN 0.458 nan 8.360 nan 0.000 0.452 444 W N 0.495 121.867 121.300 0.119 0.000 2.358 444 W HA -0.208 4.452 4.660 0.000 0.000 0.303 444 W C 1.853 178.522 176.519 0.250 0.000 1.208 444 W CA 0.957 58.428 57.345 0.209 0.000 1.274 444 W CB -0.210 29.331 29.460 0.136 0.000 1.138 444 W HN 0.167 nan 8.180 nan 0.000 0.515 445 L N 0.957 122.469 121.223 0.482 0.000 2.027 445 L HA -0.171 4.169 4.340 -0.000 0.000 0.206 445 L C 2.264 179.169 176.870 0.059 0.000 1.074 445 L CA 2.113 57.140 54.840 0.312 0.000 0.745 445 L CB -1.321 40.952 42.059 0.355 0.000 0.898 445 L HN 0.065 nan 8.230 nan 0.000 0.433 446 E N -0.875 119.365 120.200 0.066 0.000 2.265 446 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 446 E C 0.916 177.473 176.600 -0.073 0.000 0.996 446 E CA 0.831 57.234 56.400 0.005 0.000 0.832 446 E CB -0.099 29.616 29.700 0.024 0.000 0.756 446 E HN 0.515 nan 8.360 nan 0.000 0.491 447 N N 0.181 118.813 118.700 -0.114 0.000 2.214 447 N HA 0.143 4.883 4.740 -0.000 0.000 0.214 447 N C -0.306 174.770 175.510 -0.724 0.000 1.132 447 N CA 0.009 52.929 53.050 -0.217 0.000 0.856 447 N CB 0.929 39.422 38.487 0.010 0.000 1.020 447 N HN -0.008 nan 8.380 nan 0.000 0.509 448 A N 1.915 124.252 122.820 -0.804 0.000 2.304 448 A HA 0.549 4.869 4.320 -0.000 0.000 0.271 448 A C -2.222 174.977 177.584 -0.641 0.000 1.091 448 A CA -0.999 50.347 52.037 -1.152 0.000 0.812 448 A CB 0.302 18.802 19.000 -0.833 0.000 1.056 448 A HN -0.065 nan 8.150 nan 0.000 0.489 449 P HA 0.414 nan 4.420 nan 0.000 0.279 449 P C -0.578 176.252 177.300 -0.783 0.000 1.282 449 P CA 0.144 62.898 63.100 -0.577 0.000 0.788 449 P CB 0.317 31.865 31.700 -0.254 0.000 1.139 450 Y N -2.443 117.763 120.300 -0.156 0.000 2.652 450 Y HA 0.148 4.697 4.550 -0.000 0.000 0.274 450 Y C 1.972 177.843 175.900 -0.048 0.000 1.148 450 Y CA 0.493 58.526 58.100 -0.112 0.000 1.219 450 Y CB -0.310 38.078 38.460 -0.121 0.000 1.337 450 Y HN 0.120 nan 8.280 nan 0.000 0.490 451 S N -0.335 115.437 115.700 0.120 0.000 2.524 451 S HA 0.041 4.511 4.470 -0.000 0.000 0.215 451 S C 0.834 175.453 174.600 0.033 0.000 0.986 451 S CA 0.263 58.511 58.200 0.080 0.000 0.911 451 S CB -0.380 62.876 63.200 0.095 0.000 0.805 451 S HN 0.432 nan 8.310 nan 0.000 0.501 452 T N 1.512 116.068 114.554 0.003 0.000 2.802 452 T HA 0.157 4.507 4.350 -0.000 0.000 0.305 452 T C -1.448 173.245 174.700 -0.013 0.000 1.053 452 T CA -1.196 60.895 62.100 -0.015 0.000 1.058 452 T CB -0.105 68.739 68.868 -0.041 0.000 0.988 452 T HN -0.068 nan 8.240 nan 0.000 0.539 453 P HA -0.076 nan 4.420 nan 0.000 0.218 453 P C 0.673 177.969 177.300 -0.007 0.000 1.152 453 P CA 1.354 64.445 63.100 -0.014 0.000 0.857 453 P CB -0.383 31.296 31.700 -0.036 0.000 0.787 454 V N -5.375 114.528 119.914 -0.018 0.000 3.114 454 V HA 0.568 4.688 4.120 -0.000 0.000 0.308 454 V C -0.006 176.062 176.094 -0.044 0.000 1.168 454 V CA -1.397 60.892 62.300 -0.018 0.000 1.015 454 V CB 2.713 34.530 31.823 -0.011 0.000 1.050 454 V HN -0.180 nan 8.190 nan 0.000 0.433 455 R N 0.586 121.054 120.500 -0.054 0.000 2.603 455 R HA 0.593 4.933 4.340 -0.000 0.000 0.225 455 R C -0.079 176.165 176.300 -0.094 0.000 1.300 455 R CA -1.055 54.984 56.100 -0.102 0.000 1.075 455 R CB 0.531 30.761 30.300 -0.117 0.000 1.663 455 R HN 0.717 nan 8.270 nan 0.000 0.546 456 R N 1.057 121.482 120.500 -0.123 0.000 2.566 456 R HA -0.038 4.302 4.340 -0.000 0.000 0.273 456 R C -0.253 176.014 176.300 -0.055 0.000 0.981 456 R CA 0.457 56.502 56.100 -0.091 0.000 1.091 456 R CB -0.137 30.102 30.300 -0.102 0.000 0.924 456 R HN 0.296 nan 8.270 nan 0.000 0.411 457 L N 1.774 122.974 121.223 -0.037 0.000 2.343 457 L HA 0.149 4.489 4.340 -0.000 0.000 0.275 457 L C 0.537 177.398 176.870 -0.014 0.000 1.056 457 L CA -0.771 54.058 54.840 -0.019 0.000 0.804 457 L CB 1.038 43.092 42.059 -0.009 0.000 1.203 457 L HN 0.490 nan 8.230 nan 0.000 0.440 458 D N 2.104 122.501 120.400 -0.005 0.000 2.367 458 D HA -0.017 4.623 4.640 -0.000 0.000 0.255 458 D C 0.901 177.204 176.300 0.005 0.000 1.300 458 D CA 0.359 54.359 54.000 0.000 0.000 0.959 458 D CB 0.684 41.490 40.800 0.009 0.000 1.064 458 D HN 0.504 nan 8.370 nan 0.000 0.509 459 E N 2.171 122.370 120.200 -0.002 0.000 2.150 459 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 459 E C 1.747 178.347 176.600 -0.002 0.000 0.985 459 E CA 0.308 56.706 56.400 -0.003 0.000 0.814 459 E CB 0.244 29.937 29.700 -0.011 0.000 0.752 459 E HN 0.407 nan 8.360 nan 0.000 0.466 460 L N 1.594 122.817 121.223 -0.000 0.000 2.012 460 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 460 L C 2.421 179.300 176.870 0.015 0.000 1.073 460 L CA 1.768 56.608 54.840 0.000 0.000 0.748 460 L CB -0.340 41.722 42.059 0.005 0.000 0.891 460 L HN -0.058 nan 8.230 nan 0.000 0.431 461 R N -0.497 120.026 120.500 0.039 0.000 2.081 461 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 461 R C 2.075 178.412 176.300 0.062 0.000 1.131 461 R CA 1.450 57.598 56.100 0.079 0.000 0.960 461 R CB -0.417 29.924 30.300 0.068 0.000 0.856 461 R HN 0.512 nan 8.270 nan 0.000 0.436 462 A N 0.901 123.740 122.820 0.033 0.000 2.015 462 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 462 A C 1.681 179.269 177.584 0.007 0.000 1.163 462 A CA 1.354 53.406 52.037 0.025 0.000 0.646 462 A CB -0.319 18.692 19.000 0.019 0.000 0.806 462 A HN 0.436 nan 8.150 nan 0.000 0.448 463 N N -0.852 117.841 118.700 -0.012 0.000 2.402 463 N HA -0.020 4.720 4.740 -0.000 0.000 0.174 463 N C 1.222 176.685 175.510 -0.080 0.000 1.027 463 N CA 0.627 53.657 53.050 -0.034 0.000 0.891 463 N CB 0.024 38.492 38.487 -0.032 0.000 1.016 463 N HN 0.296 nan 8.380 nan 0.000 0.439 464 K N 0.525 120.852 120.400 -0.122 0.000 2.166 464 K HA 0.059 4.379 4.320 -0.000 0.000 0.201 464 K C 0.119 176.390 176.600 -0.548 0.000 1.052 464 K CA 0.854 56.956 56.287 -0.309 0.000 0.969 464 K CB -0.074 32.236 32.500 -0.316 0.000 0.761 464 K HN 0.321 nan 8.250 nan 0.000 0.459 465 H N 0.894 119.962 119.070 -0.003 0.000 2.379 465 H HA 0.191 4.747 4.556 -0.000 0.000 0.229 465 H C -2.448 172.878 175.328 -0.002 0.000 1.423 465 H CA -1.608 54.438 56.048 -0.003 0.000 1.375 465 H CB 0.687 30.446 29.762 -0.005 0.000 1.592 465 H HN 0.021 nan 8.280 nan 0.000 0.507 466 P HA 0.045 nan 4.420 nan 0.000 0.271 466 P C -0.372 176.955 177.300 0.044 0.000 1.216 466 P CA -0.269 62.855 63.100 0.040 0.000 0.771 466 P CB 1.622 33.332 31.700 0.016 0.000 0.864 467 K N 3.456 123.879 120.400 0.038 0.000 2.464 467 K HA 0.220 4.540 4.320 -0.000 0.000 0.252 467 K C 0.243 176.860 176.600 0.029 0.000 1.000 467 K CA -0.661 55.641 56.287 0.026 0.000 0.951 467 K CB 0.460 32.970 32.500 0.017 0.000 1.183 467 K HN 0.138 nan 8.250 nan 0.000 0.445 468 L N 2.405 123.645 121.223 0.029 0.000 2.558 468 L HA 0.105 4.445 4.340 -0.000 0.000 0.225 468 L C 0.819 177.717 176.870 0.046 0.000 1.128 468 L CA 0.668 55.530 54.840 0.038 0.000 0.868 468 L CB -0.501 41.579 42.059 0.035 0.000 1.006 468 L HN 0.810 nan 8.230 nan 0.000 0.454 469 T N -7.143 107.430 114.554 0.032 0.000 2.821 469 T HA 0.210 4.560 4.350 -0.000 0.000 0.306 469 T C 0.519 175.192 174.700 -0.046 0.000 1.313 469 T CA -0.549 61.567 62.100 0.026 0.000 1.012 469 T CB 0.897 69.795 68.868 0.050 0.000 1.298 469 T HN -0.053 nan 8.240 nan 0.000 0.502 470 Y N 0.973 121.075 120.300 -0.330 0.000 2.274 470 Y HA 0.076 4.626 4.550 -0.000 0.000 0.290 470 Y C 1.195 176.721 175.900 -0.624 0.000 1.145 470 Y CA 1.106 58.874 58.100 -0.553 0.000 1.203 470 Y CB -0.348 37.507 38.460 -1.008 0.000 0.984 470 Y HN 0.654 nan 8.280 nan 0.000 0.533 471 F N 0.154 119.979 119.950 -0.209 0.000 2.776 471 F HA 0.124 4.651 4.527 -0.000 0.000 0.300 471 F C 1.044 176.745 175.800 -0.165 0.000 1.116 471 F CA 0.583 58.438 58.000 -0.241 0.000 1.375 471 F CB -0.683 38.225 39.000 -0.153 0.000 1.109 471 F HN -0.070 nan 8.300 nan 0.000 0.585 472 D N 1.491 121.883 120.400 -0.012 0.000 2.713 472 D HA -0.222 4.418 4.640 -0.000 0.000 0.231 472 D C 0.057 176.368 176.300 0.019 0.000 1.173 472 D CA 0.370 54.366 54.000 -0.006 0.000 0.628 472 D CB -0.603 40.169 40.800 -0.047 0.000 1.033 472 D HN 0.214 nan 8.370 nan 0.000 0.419 473 E N -0.089 120.139 120.200 0.047 0.000 2.422 473 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 473 E C 1.482 178.093 176.600 0.018 0.000 1.108 473 E CA 0.793 57.210 56.400 0.028 0.000 0.943 473 E CB 0.279 29.996 29.700 0.028 0.000 0.961 473 E HN 0.581 nan 8.360 nan 0.000 0.443 474 G N 0.000 108.806 108.800 0.010 0.000 5.446 474 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 474 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 474 G CA 0.000 45.105 45.100 0.009 0.000 0.502 474 G HN 0.000 nan 8.290 nan 0.000 0.925