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 1iri_1_C DATA FIRST_RESID 1 DATA SEQUENCE MAALTRDPQF QKLQQWYREH RSELNLRRLF DANKDRFNHF SLTLNTNHGH DATA SEQUENCE ILVDYSKNLV TEDVMRMLVD LAKSRGVEAA RERMFNGEKI NYTEGRAVLH DATA SEQUENCE VALRNRSNTP ILVDGKDVMP EVNKVLDKMK SFCQRVRSGD WKGYTGKTIT DATA SEQUENCE DVINIGIGGS DLGPLMVTEA LKPYSSGGPR VWYVSNIDGT HIAKTLAQLN DATA SEQUENCE PESSLFIIAS KTFTTQETIT NAETAKEWFL QAAKDPSAVA KHFVALSTNT DATA SEQUENCE TKVKEFGIDP QNMFEFWDWV GGRYSLWSAI GLSIALHVGF DNFEQLLSGA DATA SEQUENCE HWMDQHFRTT PLEKNAPVLL ALLGIWYINC FGCETHAMLP YDQYLHRFAA DATA SEQUENCE YFQQGDMESN GKYITKSGTR VDHQTGPIVW GEPGTNGQHA FYQLIHQGTK DATA SEQUENCE MIPCDFLIPV QTQHPIRKGL HHKILLANFL AQTEALMRGK STEEARKELQ DATA SEQUENCE AAGKSPEDLE RLLPHKVFEG NRPTNSIVFT KLTPFMLGAL VAMYEHKIFV DATA SEQUENCE QGIIWDINSF DQWGVELGKQ LAKKIEPELD GSAQVTSHDA STNGLINFIK DATA SEQUENCE QQREARV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.337 176.300 0.062 0.000 1.140 1 M CA 0.000 55.337 55.300 0.062 0.000 0.988 1 M CB 0.000 32.643 32.600 0.072 0.000 1.302 2 A N 1.311 124.188 122.820 0.095 0.000 2.309 2 A HA 0.952 5.272 4.320 -0.000 0.000 0.317 2 A C 0.866 178.516 177.584 0.110 0.000 1.134 2 A CA 0.101 52.200 52.037 0.104 0.000 0.866 2 A CB 0.901 19.983 19.000 0.137 0.000 1.329 2 A HN 1.133 nan 8.150 nan 0.000 0.477 3 A N -0.369 122.504 122.820 0.089 0.000 1.884 3 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 3 A C 2.005 179.607 177.584 0.029 0.000 1.197 3 A CA 2.335 54.406 52.037 0.057 0.000 0.637 3 A CB -0.971 18.056 19.000 0.046 0.000 0.827 3 A HN 1.446 nan 8.150 nan 0.000 0.450 4 L N 0.388 121.599 121.223 -0.020 0.000 2.012 4 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 4 L C 2.691 179.454 176.870 -0.178 0.000 1.073 4 L CA 3.183 57.878 54.840 -0.243 0.000 0.748 4 L CB -1.172 40.522 42.059 -0.608 0.000 0.891 4 L HN 0.574 nan 8.230 nan 0.000 0.431 5 T N -3.081 111.473 114.554 0.000 0.000 2.915 5 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 5 T C 1.861 176.703 174.700 0.237 0.000 1.071 5 T CA 0.961 63.199 62.100 0.230 0.000 1.132 5 T CB -0.499 68.522 68.868 0.254 0.000 0.878 5 T HN 0.342 nan 8.240 nan 0.000 0.479 6 R N 1.434 122.022 120.500 0.146 0.000 2.335 6 R HA 0.187 4.526 4.340 -0.000 0.000 0.223 6 R C 0.207 176.577 176.300 0.117 0.000 0.940 6 R CA -0.008 56.163 56.100 0.118 0.000 1.086 6 R CB 0.070 30.419 30.300 0.080 0.000 1.073 6 R HN 0.458 nan 8.270 nan 0.000 0.504 7 D N 0.380 120.876 120.400 0.160 0.000 2.232 7 D HA 0.107 4.747 4.640 -0.000 0.000 0.242 7 D C -1.910 174.491 176.300 0.168 0.000 1.093 7 D CA -2.344 51.742 54.000 0.144 0.000 0.845 7 D CB 2.059 42.934 40.800 0.125 0.000 1.124 7 D HN -0.164 nan 8.370 nan 0.000 0.467 8 P HA -0.163 nan 4.420 nan 0.000 0.215 8 P C 1.294 178.646 177.300 0.087 0.000 1.157 8 P CA 1.145 64.296 63.100 0.085 0.000 0.868 8 P CB 0.398 32.133 31.700 0.058 0.000 0.788 9 Q N -1.367 118.487 119.800 0.090 0.000 2.061 9 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 9 Q C 2.117 178.188 176.000 0.118 0.000 0.984 9 Q CA 1.339 57.191 55.803 0.081 0.000 0.846 9 Q CB -1.511 27.265 28.738 0.063 0.000 0.902 9 Q HN 0.277 nan 8.270 nan 0.000 0.421 10 F N 1.938 121.908 119.950 0.034 0.000 2.095 10 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 10 F C 2.225 178.073 175.800 0.080 0.000 1.104 10 F CA 1.713 59.744 58.000 0.051 0.000 1.232 10 F CB -0.238 38.782 39.000 0.033 0.000 0.987 10 F HN 0.122 nan 8.300 nan 0.000 0.475 11 Q N 0.333 120.112 119.800 -0.034 0.000 2.061 11 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 11 Q C 2.167 178.131 176.000 -0.060 0.000 0.984 11 Q CA 2.395 58.147 55.803 -0.084 0.000 0.846 11 Q CB -0.345 28.414 28.738 0.034 0.000 0.902 11 Q HN 0.580 nan 8.270 nan 0.000 0.421 12 K N 0.466 120.872 120.400 0.010 0.000 2.148 12 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 12 K C 1.981 178.648 176.600 0.112 0.000 1.050 12 K CA 0.973 57.301 56.287 0.069 0.000 0.942 12 K CB -0.271 32.278 32.500 0.082 0.000 0.724 12 K HN 0.115 nan 8.250 nan 0.000 0.446 13 L N 1.358 122.604 121.223 0.038 0.000 1.989 13 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 13 L C 2.816 179.781 176.870 0.159 0.000 1.071 13 L CA 1.816 56.721 54.840 0.108 0.000 0.749 13 L CB -0.487 41.603 42.059 0.051 0.000 0.890 13 L HN 0.446 nan 8.230 nan 0.000 0.431 14 Q N -0.900 118.815 119.800 -0.142 0.000 2.061 14 Q HA -0.286 4.054 4.340 -0.000 0.000 0.204 14 Q C 2.213 178.274 176.000 0.101 0.000 0.984 14 Q CA 1.667 57.399 55.803 -0.118 0.000 0.846 14 Q CB -0.133 28.429 28.738 -0.292 0.000 0.902 14 Q HN 0.540 nan 8.270 nan 0.000 0.421 15 Q N -0.382 119.467 119.800 0.082 0.000 2.002 15 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 15 Q C 1.813 177.908 176.000 0.158 0.000 0.988 15 Q CA 1.740 57.599 55.803 0.094 0.000 0.843 15 Q CB -0.362 28.424 28.738 0.080 0.000 0.908 15 Q HN 0.477 nan 8.270 nan 0.000 0.420 16 W N 0.293 121.659 121.300 0.109 0.000 2.304 16 W HA -0.337 4.323 4.660 -0.000 0.000 0.315 16 W C 2.201 178.851 176.519 0.217 0.000 1.233 16 W CA 2.228 59.705 57.345 0.219 0.000 1.261 16 W CB -0.630 28.991 29.460 0.267 0.000 1.150 16 W HN 0.304 nan 8.180 nan 0.000 0.494 17 Y N 1.119 121.751 120.300 0.553 0.000 2.114 17 Y HA -0.317 4.232 4.550 -0.000 0.000 0.282 17 Y C 2.557 178.455 175.900 -0.003 0.000 1.165 17 Y CA 2.717 61.031 58.100 0.357 0.000 1.148 17 Y CB -0.662 37.877 38.460 0.131 0.000 0.972 17 Y HN -0.126 nan 8.280 nan 0.000 0.504 18 R N 0.119 120.611 120.500 -0.013 0.000 2.096 18 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 18 R C 2.072 178.179 176.300 -0.322 0.000 1.127 18 R CA 1.830 57.818 56.100 -0.187 0.000 0.968 18 R CB -0.309 29.954 30.300 -0.061 0.000 0.861 18 R HN 0.525 nan 8.270 nan 0.000 0.440 19 E N -0.918 119.029 120.200 -0.421 0.000 2.285 19 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 19 E C 0.930 176.944 176.600 -0.975 0.000 0.997 19 E CA 0.652 56.623 56.400 -0.714 0.000 0.845 19 E CB 0.293 29.439 29.700 -0.924 0.000 0.782 19 E HN 0.483 nan 8.360 nan 0.000 0.491 20 H N -0.863 117.860 119.070 -0.578 0.000 3.535 20 H HA 0.124 4.679 4.556 -0.000 0.000 0.260 20 H C 1.534 176.627 175.328 -0.391 0.000 1.173 20 H CA 0.287 55.913 56.048 -0.704 0.000 1.168 20 H CB 0.359 29.119 29.762 -1.671 0.000 1.568 20 H HN 0.090 nan 8.280 nan 0.000 0.602 21 R N 1.579 121.934 120.500 -0.241 0.000 2.332 21 R HA -0.111 4.228 4.340 -0.000 0.000 0.239 21 R C 1.356 177.657 176.300 0.003 0.000 1.160 21 R CA 1.727 57.757 56.100 -0.117 0.000 1.020 21 R CB -0.535 29.382 30.300 -0.639 0.000 0.859 21 R HN 0.087 nan 8.270 nan 0.000 0.478 22 S N 1.242 116.914 115.700 -0.046 0.000 2.436 22 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 22 S C 1.555 176.193 174.600 0.063 0.000 1.014 22 S CA 0.727 58.932 58.200 0.007 0.000 0.950 22 S CB -0.120 63.061 63.200 -0.031 0.000 0.784 22 S HN 0.720 nan 8.310 nan 0.000 0.504 23 E N 1.628 121.874 120.200 0.077 0.000 2.502 23 E HA 0.055 4.405 4.350 -0.000 0.000 0.194 23 E C 0.179 176.878 176.600 0.166 0.000 1.062 23 E CA 0.022 56.484 56.400 0.104 0.000 0.867 23 E CB -0.415 29.334 29.700 0.080 0.000 0.888 23 E HN 0.492 nan 8.360 nan 0.000 0.510 24 L N 2.882 124.241 121.223 0.226 0.000 2.423 24 L HA 0.203 4.543 4.340 -0.000 0.000 0.249 24 L C 0.094 177.096 176.870 0.220 0.000 1.276 24 L CA -0.289 54.716 54.840 0.276 0.000 1.199 24 L CB -0.611 41.706 42.059 0.429 0.000 1.407 24 L HN 0.113 nan 8.230 nan 0.000 0.410 25 N N 2.063 120.861 118.700 0.164 0.000 2.442 25 N HA 0.245 4.985 4.740 -0.000 0.000 0.274 25 N C 0.808 176.407 175.510 0.148 0.000 1.002 25 N CA -0.471 52.667 53.050 0.146 0.000 0.910 25 N CB 1.837 40.395 38.487 0.117 0.000 1.244 25 N HN 0.390 nan 8.380 nan 0.000 0.492 26 L N 2.724 124.050 121.223 0.172 0.000 2.042 26 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 26 L C 2.622 179.673 176.870 0.301 0.000 1.076 26 L CA 1.150 56.139 54.840 0.248 0.000 0.749 26 L CB -0.227 41.982 42.059 0.250 0.000 0.893 26 L HN 0.575 nan 8.230 nan 0.000 0.432 27 R N 0.017 120.629 120.500 0.186 0.000 2.083 27 R HA -0.208 4.132 4.340 -0.000 0.000 0.237 27 R C 2.494 178.889 176.300 0.158 0.000 1.137 27 R CA 1.719 57.910 56.100 0.152 0.000 0.951 27 R CB -0.154 30.200 30.300 0.090 0.000 0.851 27 R HN 0.253 nan 8.270 nan 0.000 0.434 28 R N 0.573 121.149 120.500 0.126 0.000 2.070 28 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 28 R C 2.381 178.736 176.300 0.093 0.000 1.138 28 R CA 1.627 57.785 56.100 0.098 0.000 0.936 28 R CB -0.474 29.875 30.300 0.082 0.000 0.839 28 R HN 0.200 nan 8.270 nan 0.000 0.429 29 L N -0.140 121.129 121.223 0.077 0.000 2.089 29 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 29 L C 2.242 179.049 176.870 -0.105 0.000 1.079 29 L CA 1.429 56.252 54.840 -0.027 0.000 0.758 29 L CB -0.377 41.621 42.059 -0.103 0.000 0.891 29 L HN 0.248 nan 8.230 nan 0.000 0.433 30 F N -0.462 119.505 119.950 0.028 0.000 2.512 30 F HA -0.117 4.409 4.527 -0.000 0.000 0.296 30 F C 2.159 177.970 175.800 0.018 0.000 1.110 30 F CA 0.799 58.813 58.000 0.023 0.000 1.446 30 F CB -0.129 38.879 39.000 0.013 0.000 1.092 30 F HN 0.060 nan 8.300 nan 0.000 0.554 31 D N -0.246 120.254 120.400 0.166 0.000 2.234 31 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 31 D C 2.177 178.513 176.300 0.059 0.000 0.962 31 D CA 1.009 55.069 54.000 0.099 0.000 0.855 31 D CB -0.087 40.762 40.800 0.082 0.000 0.951 31 D HN 0.238 nan 8.370 nan 0.000 0.500 32 A N -0.036 122.809 122.820 0.041 0.000 1.997 32 A HA 0.007 4.327 4.320 -0.000 0.000 0.212 32 A C 1.038 178.623 177.584 0.002 0.000 1.178 32 A CA 0.312 52.361 52.037 0.021 0.000 0.698 32 A CB 0.182 19.193 19.000 0.019 0.000 0.842 32 A HN 0.040 nan 8.150 nan 0.000 0.458 33 N N 0.200 118.887 118.700 -0.022 0.000 2.623 33 N HA 0.205 4.945 4.740 -0.000 0.000 0.256 33 N C 0.120 175.603 175.510 -0.045 0.000 1.045 33 N CA -0.390 52.628 53.050 -0.054 0.000 0.863 33 N CB 0.938 39.373 38.487 -0.085 0.000 1.182 33 N HN -0.045 nan 8.380 nan 0.000 0.523 34 K N 0.961 121.351 120.400 -0.016 0.000 2.442 34 K HA -0.075 4.245 4.320 -0.000 0.000 0.198 34 K C -0.257 176.356 176.600 0.021 0.000 1.042 34 K CA 0.826 57.128 56.287 0.025 0.000 0.958 34 K CB 0.060 32.573 32.500 0.021 0.000 0.766 34 K HN 0.646 nan 8.250 nan 0.000 0.474 35 D N -1.371 118.986 120.400 -0.072 0.000 2.696 35 D HA 0.075 4.715 4.640 -0.000 0.000 0.269 35 D C 1.113 177.280 176.300 -0.220 0.000 1.319 35 D CA -0.380 53.559 54.000 -0.101 0.000 0.826 35 D CB 0.287 41.000 40.800 -0.145 0.000 1.086 35 D HN -0.151 nan 8.370 nan 0.000 0.481 36 R N -0.248 120.195 120.500 -0.095 0.000 2.103 36 R HA -0.177 4.162 4.340 -0.000 0.000 0.242 36 R C 1.457 177.875 176.300 0.196 0.000 1.142 36 R CA 1.289 57.384 56.100 -0.009 0.000 0.960 36 R CB -0.329 29.777 30.300 -0.323 0.000 0.858 36 R HN 0.319 nan 8.270 nan 0.000 0.439 37 F N 2.022 122.044 119.950 0.120 0.000 2.095 37 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 37 F C 1.751 177.596 175.800 0.075 0.000 1.104 37 F CA 1.812 59.895 58.000 0.138 0.000 1.232 37 F CB -0.402 38.683 39.000 0.141 0.000 0.987 37 F HN 0.075 nan 8.300 nan 0.000 0.475 38 N N -0.656 118.025 118.700 -0.032 0.000 2.381 38 N HA -0.163 4.576 4.740 -0.000 0.000 0.182 38 N C 1.461 176.935 175.510 -0.060 0.000 1.025 38 N CA 1.340 54.322 53.050 -0.114 0.000 0.888 38 N CB -0.604 37.942 38.487 0.099 0.000 0.965 38 N HN 0.613 nan 8.380 nan 0.000 0.438 39 H N -1.808 117.079 119.070 -0.305 0.000 2.562 39 H HA 0.137 4.693 4.556 -0.000 0.000 0.267 39 H C 0.020 174.884 175.328 -0.772 0.000 0.959 39 H CA 0.166 55.901 56.048 -0.521 0.000 1.204 39 H CB 0.407 29.771 29.762 -0.663 0.000 1.430 39 H HN 0.082 nan 8.280 nan 0.000 0.545 40 F N 1.557 121.328 119.950 -0.299 0.000 2.679 40 F HA 0.213 4.740 4.527 -0.000 0.000 0.354 40 F C -0.207 174.949 175.800 -1.074 0.000 1.423 40 F CA -0.595 56.929 58.000 -0.793 0.000 1.141 40 F CB 0.930 39.551 39.000 -0.631 0.000 1.168 40 F HN -0.062 nan 8.300 nan 0.000 0.530 41 S N 0.098 115.498 115.700 -0.500 0.000 2.547 41 S HA 0.806 5.276 4.470 -0.000 0.000 0.270 41 S C -1.378 173.212 174.600 -0.017 0.000 1.150 41 S CA -0.865 57.168 58.200 -0.278 0.000 0.850 41 S CB 1.784 64.595 63.200 -0.649 0.000 1.118 41 S HN 0.171 nan 8.310 nan 0.000 0.461 42 L N 1.934 123.237 121.223 0.133 0.000 2.362 42 L HA 0.798 5.138 4.340 -0.000 0.000 0.271 42 L C -0.288 176.658 176.870 0.128 0.000 1.002 42 L CA -0.685 54.242 54.840 0.146 0.000 0.818 42 L CB 2.504 44.685 42.059 0.204 0.000 1.298 42 L HN 1.010 nan 8.230 nan 0.000 0.420 43 T N 0.952 115.581 114.554 0.125 0.000 2.840 43 T HA 0.668 5.018 4.350 -0.000 0.000 0.287 43 T C -0.722 174.081 174.700 0.171 0.000 0.991 43 T CA -0.640 61.558 62.100 0.162 0.000 0.964 43 T CB 0.813 69.783 68.868 0.170 0.000 0.954 43 T HN 0.334 nan 8.240 nan 0.000 0.438 44 L N 3.640 124.953 121.223 0.149 0.000 2.296 44 L HA 0.567 4.907 4.340 -0.000 0.000 0.286 44 L C 0.010 176.826 176.870 -0.091 0.000 1.023 44 L CA -1.069 53.836 54.840 0.109 0.000 0.812 44 L CB 1.525 43.648 42.059 0.106 0.000 1.223 44 L HN 0.638 nan 8.230 nan 0.000 0.421 45 N N 0.914 119.507 118.700 -0.178 0.000 2.419 45 N HA 0.237 4.977 4.740 -0.000 0.000 0.277 45 N C 0.494 175.768 175.510 -0.394 0.000 1.006 45 N CA -0.392 52.263 53.050 -0.658 0.000 0.923 45 N CB 1.696 39.878 38.487 -0.508 0.000 1.140 45 N HN 0.672 nan 8.380 nan 0.000 0.488 46 T N -0.284 113.879 114.554 -0.651 0.000 3.040 46 T HA 0.189 4.539 4.350 -0.000 0.000 0.250 46 T C 0.235 174.610 174.700 -0.541 0.000 1.058 46 T CA -0.171 61.382 62.100 -0.911 0.000 0.988 46 T CB -0.063 68.164 68.868 -1.069 0.000 0.993 46 T HN 0.565 nan 8.240 nan 0.000 0.519 47 N N 0.981 119.392 118.700 -0.482 0.000 2.984 47 N HA -0.143 4.597 4.740 -0.000 0.000 0.227 47 N C -0.353 174.579 175.510 -0.964 0.000 0.903 47 N CA 1.449 54.162 53.050 -0.562 0.000 0.995 47 N CB -1.511 36.676 38.487 -0.499 0.000 1.065 47 N HN 0.661 nan 8.380 nan 0.000 0.585 48 H N -1.072 117.713 119.070 -0.474 0.000 2.904 48 H HA 0.557 5.113 4.556 -0.000 0.000 0.242 48 H C 1.104 176.260 175.328 -0.286 0.000 1.193 48 H CA 0.535 56.274 56.048 -0.514 0.000 0.946 48 H CB 0.623 29.695 29.762 -1.151 0.000 2.135 48 H HN 0.422 nan 8.280 nan 0.000 0.652 49 G N 0.464 109.185 108.800 -0.133 0.000 2.375 49 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.663 49 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.663 49 G C -1.838 173.023 174.900 -0.065 0.000 1.391 49 G CA -1.095 44.010 45.100 0.008 0.000 0.949 49 G HN 0.260 nan 8.290 nan 0.000 0.646 50 H N -0.972 118.096 119.070 -0.003 0.000 2.533 50 H HA 0.770 5.326 4.556 -0.000 0.000 0.343 50 H C 0.271 175.641 175.328 0.071 0.000 1.160 50 H CA -0.337 55.716 56.048 0.009 0.000 1.218 50 H CB 1.614 31.393 29.762 0.028 0.000 1.566 50 H HN 0.513 nan 8.280 nan 0.000 0.522 51 I N 3.012 123.671 120.570 0.148 0.000 2.411 51 I HA 0.112 4.282 4.170 -0.000 0.000 0.284 51 I C -1.079 175.161 176.117 0.205 0.000 1.012 51 I CA -0.801 60.613 61.300 0.190 0.000 1.119 51 I CB 1.393 39.461 38.000 0.114 0.000 1.261 51 I HN 0.178 nan 8.210 nan 0.000 0.448 52 L N 8.891 130.254 121.223 0.233 0.000 2.265 52 L HA 0.464 4.804 4.340 -0.000 0.000 0.288 52 L C -0.572 176.451 176.870 0.254 0.000 1.058 52 L CA -0.122 54.858 54.840 0.232 0.000 0.809 52 L CB 1.275 43.481 42.059 0.244 0.000 1.179 52 L HN 0.324 nan 8.230 nan 0.000 0.429 53 V N 5.020 125.078 119.914 0.239 0.000 2.277 53 V HA 0.274 4.394 4.120 -0.000 0.000 0.269 53 V C -0.456 175.831 176.094 0.323 0.000 1.036 53 V CA -0.608 61.858 62.300 0.277 0.000 0.821 53 V CB 0.857 32.828 31.823 0.246 0.000 1.052 53 V HN 0.746 nan 8.190 nan 0.000 0.462 54 D N 4.292 124.885 120.400 0.323 0.000 2.456 54 D HA 0.166 4.806 4.640 -0.000 0.000 0.219 54 D C 0.307 176.795 176.300 0.314 0.000 1.126 54 D CA -0.568 53.605 54.000 0.289 0.000 0.890 54 D CB 0.614 41.662 40.800 0.414 0.000 1.025 54 D HN 0.654 nan 8.370 nan 0.000 0.511 55 Y N 1.666 122.090 120.300 0.207 0.000 2.801 55 Y HA 0.239 4.789 4.550 -0.000 0.000 0.340 55 Y C 1.483 177.496 175.900 0.189 0.000 1.088 55 Y CA -0.329 57.889 58.100 0.196 0.000 1.444 55 Y CB -0.278 38.287 38.460 0.175 0.000 1.251 55 Y HN 0.206 nan 8.280 nan 0.000 0.522 56 S N 0.457 116.204 115.700 0.078 0.000 2.406 56 S HA -0.033 4.437 4.470 -0.000 0.000 0.224 56 S C 1.039 175.767 174.600 0.213 0.000 1.030 56 S CA 0.050 58.301 58.200 0.084 0.000 0.958 56 S CB -0.271 63.125 63.200 0.328 0.000 0.811 56 S HN 0.518 nan 8.310 nan 0.000 0.489 57 K N 2.102 122.674 120.400 0.288 0.000 3.322 57 K HA 0.260 4.579 4.320 -0.000 0.000 0.291 57 K C -0.786 175.932 176.600 0.197 0.000 1.131 57 K CA -0.038 56.413 56.287 0.273 0.000 1.185 57 K CB -0.631 31.923 32.500 0.090 0.000 1.338 57 K HN 0.441 nan 8.250 nan 0.000 0.380 58 N N 0.403 119.201 118.700 0.163 0.000 2.319 58 N HA 0.256 4.996 4.740 -0.000 0.000 0.305 58 N C -0.465 175.147 175.510 0.170 0.000 1.103 58 N CA -0.656 52.532 53.050 0.231 0.000 0.815 58 N CB 1.480 40.144 38.487 0.294 0.000 1.288 58 N HN 0.031 nan 8.380 nan 0.000 0.493 59 L N 2.601 124.012 121.223 0.313 0.000 2.530 59 L HA 0.139 4.479 4.340 -0.000 0.000 0.247 59 L C -0.333 176.730 176.870 0.322 0.000 1.416 59 L CA -0.187 54.848 54.840 0.325 0.000 1.202 59 L CB -1.592 40.714 42.059 0.411 0.000 1.415 59 L HN 0.297 nan 8.230 nan 0.000 0.443 60 V N -1.830 118.099 119.914 0.025 0.000 3.130 60 V HA 0.888 5.007 4.120 -0.000 0.000 0.310 60 V C -0.087 175.862 176.094 -0.242 0.000 1.158 60 V CA -0.520 61.691 62.300 -0.148 0.000 1.029 60 V CB 2.133 33.793 31.823 -0.271 0.000 1.057 60 V HN 0.334 nan 8.190 nan 0.000 0.436 61 T N -2.007 112.461 114.554 -0.144 0.000 2.887 61 T HA 0.563 4.912 4.350 -0.000 0.000 0.292 61 T C 0.583 175.380 174.700 0.161 0.000 1.087 61 T CA 0.006 62.135 62.100 0.048 0.000 1.009 61 T CB 2.020 70.920 68.868 0.054 0.000 1.203 61 T HN 0.753 nan 8.240 nan 0.000 0.518 62 E N 0.349 120.723 120.200 0.290 0.000 2.147 62 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 62 E C 1.370 177.947 176.600 -0.039 0.000 1.005 62 E CA 1.817 58.284 56.400 0.112 0.000 0.810 62 E CB -0.070 29.648 29.700 0.030 0.000 0.736 62 E HN 0.588 nan 8.360 nan 0.000 0.460 63 D N -0.266 120.075 120.400 -0.098 0.000 2.144 63 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 63 D C 2.026 178.067 176.300 -0.432 0.000 0.978 63 D CA 0.697 54.566 54.000 -0.218 0.000 0.833 63 D CB -0.014 40.681 40.800 -0.175 0.000 0.961 63 D HN 0.040 nan 8.370 nan 0.000 0.470 64 V N 1.371 120.927 119.914 -0.596 0.000 2.295 64 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 64 V C 2.510 178.286 176.094 -0.530 0.000 1.049 64 V CA 1.175 62.991 62.300 -0.806 0.000 1.024 64 V CB -0.331 30.904 31.823 -0.980 0.000 0.648 64 V HN 0.199 nan 8.190 nan 0.000 0.447 65 M N -0.491 118.931 119.600 -0.297 0.000 2.159 65 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 65 M C 2.257 178.458 176.300 -0.166 0.000 1.063 65 M CA 1.627 56.827 55.300 -0.168 0.000 1.110 65 M CB -1.411 31.214 32.600 0.041 0.000 1.374 65 M HN 0.304 nan 8.290 nan 0.000 0.411 66 R N 0.110 120.513 120.500 -0.163 0.000 2.075 66 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 66 R C 2.116 178.329 176.300 -0.144 0.000 1.126 66 R CA 1.310 57.330 56.100 -0.133 0.000 0.963 66 R CB -0.077 30.154 30.300 -0.115 0.000 0.858 66 R HN 0.324 nan 8.270 nan 0.000 0.435 67 M N 0.478 119.958 119.600 -0.201 0.000 2.175 67 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 67 M C 2.232 178.447 176.300 -0.141 0.000 1.063 67 M CA 1.405 56.604 55.300 -0.169 0.000 1.119 67 M CB -0.145 32.320 32.600 -0.225 0.000 1.377 67 M HN 0.179 nan 8.290 nan 0.000 0.415 68 L N -0.750 120.354 121.223 -0.199 0.000 2.083 68 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 68 L C 2.362 179.169 176.870 -0.105 0.000 1.083 68 L CA 0.735 55.486 54.840 -0.149 0.000 0.752 68 L CB -0.597 41.333 42.059 -0.215 0.000 0.899 68 L HN 0.111 nan 8.230 nan 0.000 0.433 69 V N -0.462 119.386 119.914 -0.109 0.000 2.453 69 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 69 V C 2.063 178.116 176.094 -0.069 0.000 1.048 69 V CA 1.647 63.895 62.300 -0.087 0.000 1.049 69 V CB -0.445 31.326 31.823 -0.086 0.000 0.672 69 V HN 0.426 nan 8.190 nan 0.000 0.457 70 D N -0.024 120.338 120.400 -0.064 0.000 2.117 70 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 70 D C 2.021 178.304 176.300 -0.028 0.000 0.987 70 D CA 1.135 55.108 54.000 -0.043 0.000 0.829 70 D CB -0.251 40.527 40.800 -0.036 0.000 0.961 70 D HN 0.334 nan 8.370 nan 0.000 0.460 71 L N 1.193 122.404 121.223 -0.019 0.000 2.013 71 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 71 L C 2.184 179.037 176.870 -0.030 0.000 1.073 71 L CA 2.080 56.922 54.840 0.003 0.000 0.753 71 L CB -0.652 41.425 42.059 0.031 0.000 0.890 71 L HN -0.013 nan 8.230 nan 0.000 0.432 72 A N -1.119 121.670 122.820 -0.052 0.000 1.969 72 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 72 A C 2.299 179.849 177.584 -0.057 0.000 1.169 72 A CA 1.830 53.828 52.037 -0.066 0.000 0.635 72 A CB -0.451 18.508 19.000 -0.068 0.000 0.810 72 A HN 0.525 nan 8.150 nan 0.000 0.445 73 K N -0.660 119.709 120.400 -0.051 0.000 2.025 73 K HA -0.070 4.249 4.320 -0.000 0.000 0.207 73 K C 2.421 179.000 176.600 -0.036 0.000 1.049 73 K CA 1.363 57.622 56.287 -0.048 0.000 0.933 73 K CB -0.240 32.231 32.500 -0.048 0.000 0.714 73 K HN 0.394 nan 8.250 nan 0.000 0.438 74 S N 0.516 116.201 115.700 -0.025 0.000 2.402 74 S HA -0.063 4.407 4.470 -0.000 0.000 0.229 74 S C 1.682 176.273 174.600 -0.016 0.000 1.021 74 S CA 0.890 59.082 58.200 -0.012 0.000 0.974 74 S CB -0.003 63.201 63.200 0.006 0.000 0.800 74 S HN 0.139 nan 8.310 nan 0.000 0.484 75 R N 0.589 121.072 120.500 -0.029 0.000 2.339 75 R HA 0.129 4.469 4.340 -0.000 0.000 0.199 75 R C 1.545 177.820 176.300 -0.041 0.000 1.018 75 R CA 0.625 56.701 56.100 -0.040 0.000 1.036 75 R CB -1.334 28.924 30.300 -0.070 0.000 0.899 75 R HN 0.540 nan 8.270 nan 0.000 0.473 76 G N 0.631 109.409 108.800 -0.037 0.000 2.221 76 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.265 76 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.265 76 G C 0.964 175.841 174.900 -0.039 0.000 1.041 76 G CA 0.395 45.474 45.100 -0.034 0.000 0.807 76 G HN 0.207 nan 8.290 nan 0.000 0.502 77 V N -0.143 119.739 119.914 -0.054 0.000 2.324 77 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 77 V C 2.660 178.740 176.094 -0.024 0.000 1.060 77 V CA 2.984 65.254 62.300 -0.050 0.000 1.042 77 V CB -0.434 31.362 31.823 -0.045 0.000 0.650 77 V HN 0.712 nan 8.190 nan 0.000 0.450 78 E N 0.060 120.220 120.200 -0.065 0.000 2.072 78 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 78 E C 2.327 178.879 176.600 -0.080 0.000 0.985 78 E CA 1.226 57.558 56.400 -0.114 0.000 0.801 78 E CB -0.344 29.273 29.700 -0.137 0.000 0.750 78 E HN 0.616 nan 8.360 nan 0.000 0.452 79 A N 1.557 124.350 122.820 -0.045 0.000 1.930 79 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 79 A C 2.386 179.990 177.584 0.034 0.000 1.175 79 A CA 1.572 53.596 52.037 -0.022 0.000 0.627 79 A CB -0.551 18.438 19.000 -0.018 0.000 0.815 79 A HN 0.283 nan 8.150 nan 0.000 0.443 80 A N -0.217 122.648 122.820 0.074 0.000 1.877 80 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 80 A C 2.243 180.042 177.584 0.358 0.000 1.186 80 A CA 1.687 53.836 52.037 0.187 0.000 0.620 80 A CB -0.562 18.513 19.000 0.126 0.000 0.822 80 A HN 0.545 nan 8.150 nan 0.000 0.443 81 R N -0.441 120.274 120.500 0.358 0.000 2.096 81 R HA -0.202 4.138 4.340 -0.000 0.000 0.240 81 R C 1.877 178.253 176.300 0.128 0.000 1.139 81 R CA 1.901 58.184 56.100 0.305 0.000 0.952 81 R CB -0.242 30.015 30.300 -0.073 0.000 0.854 81 R HN 0.466 nan 8.270 nan 0.000 0.436 82 E N 0.305 120.510 120.200 0.008 0.000 2.106 82 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 82 E C 2.109 178.723 176.600 0.023 0.000 0.984 82 E CA 1.030 57.407 56.400 -0.037 0.000 0.806 82 E CB -0.168 29.481 29.700 -0.085 0.000 0.750 82 E HN 0.405 nan 8.360 nan 0.000 0.458 83 R N 0.117 120.645 120.500 0.047 0.000 2.081 83 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 83 R C 2.456 178.755 176.300 -0.002 0.000 1.131 83 R CA 1.494 57.613 56.100 0.032 0.000 0.960 83 R CB -0.305 30.036 30.300 0.068 0.000 0.856 83 R HN 0.182 nan 8.270 nan 0.000 0.436 84 M N -0.087 119.518 119.600 0.008 0.000 2.059 84 M HA -0.168 4.312 4.480 -0.000 0.000 0.259 84 M C 1.525 177.688 176.300 -0.228 0.000 1.072 84 M CA 1.841 57.035 55.300 -0.176 0.000 1.117 84 M CB -0.127 32.263 32.600 -0.351 0.000 1.320 84 M HN 0.016 nan 8.290 nan 0.000 0.408 85 F N 0.897 120.696 119.950 -0.250 0.000 2.250 85 F HA -0.166 4.361 4.527 -0.000 0.000 0.301 85 F C 1.775 177.446 175.800 -0.215 0.000 1.077 85 F CA 1.693 59.548 58.000 -0.240 0.000 1.348 85 F CB -0.707 38.161 39.000 -0.220 0.000 1.040 85 F HN 0.364 nan 8.300 nan 0.000 0.509 86 N N -1.037 117.656 118.700 -0.012 0.000 2.467 86 N HA 0.137 4.877 4.740 -0.000 0.000 0.184 86 N C 1.283 176.713 175.510 -0.133 0.000 1.106 86 N CA 0.553 53.562 53.050 -0.068 0.000 0.892 86 N CB 0.144 38.601 38.487 -0.049 0.000 0.969 86 N HN 0.273 nan 8.380 nan 0.000 0.454 87 G N 0.946 109.633 108.800 -0.189 0.000 2.132 87 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.234 87 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.234 87 G C -0.311 174.491 174.900 -0.163 0.000 0.989 87 G CA -0.324 44.627 45.100 -0.247 0.000 0.676 87 G HN 0.343 nan 8.290 nan 0.000 0.522 88 E N 0.427 120.565 120.200 -0.103 0.000 2.373 88 E HA 0.322 4.672 4.350 -0.000 0.000 0.263 88 E C 0.325 176.908 176.600 -0.028 0.000 1.073 88 E CA -0.442 55.930 56.400 -0.046 0.000 0.894 88 E CB 0.486 30.180 29.700 -0.011 0.000 1.008 88 E HN 0.074 nan 8.360 nan 0.000 0.420 89 K N 3.315 123.727 120.400 0.020 0.000 2.449 89 K HA 0.052 4.372 4.320 -0.000 0.000 0.237 89 K C 0.974 177.638 176.600 0.107 0.000 1.265 89 K CA 0.202 56.523 56.287 0.056 0.000 1.193 89 K CB -0.810 31.742 32.500 0.088 0.000 1.515 89 K HN 0.547 nan 8.250 nan 0.000 0.259 90 I N -2.378 118.241 120.570 0.081 0.000 3.001 90 I HA -0.072 4.098 4.170 -0.000 0.000 0.268 90 I C 0.656 176.866 176.117 0.155 0.000 1.267 90 I CA 0.293 61.702 61.300 0.180 0.000 1.472 90 I CB -0.171 37.930 38.000 0.168 0.000 1.089 90 I HN 0.015 nan 8.210 nan 0.000 0.468 91 N N 1.932 120.673 118.700 0.068 0.000 2.895 91 N HA -0.044 4.696 4.740 -0.000 0.000 0.277 91 N C 0.663 176.204 175.510 0.053 0.000 1.185 91 N CA -0.329 52.743 53.050 0.037 0.000 1.106 91 N CB -0.110 38.430 38.487 0.090 0.000 1.422 91 N HN 0.530 nan 8.380 nan 0.000 0.521 92 Y N 0.452 120.867 120.300 0.191 0.000 2.439 92 Y HA 0.014 4.564 4.550 -0.000 0.000 0.292 92 Y C 2.157 178.166 175.900 0.181 0.000 1.130 92 Y CA 1.020 59.215 58.100 0.159 0.000 1.254 92 Y CB -1.141 37.399 38.460 0.133 0.000 1.000 92 Y HN 0.292 nan 8.280 nan 0.000 0.554 93 T N -1.799 112.890 114.554 0.226 0.000 2.857 93 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 93 T C 1.414 176.337 174.700 0.371 0.000 1.048 93 T CA 1.499 63.816 62.100 0.362 0.000 1.139 93 T CB -0.370 68.797 68.868 0.498 0.000 0.874 93 T HN 0.533 nan 8.240 nan 0.000 0.455 94 E N 0.788 121.167 120.200 0.299 0.000 2.447 94 E HA 0.331 4.681 4.350 -0.000 0.000 0.195 94 E C 1.145 177.865 176.600 0.200 0.000 1.028 94 E CA 0.088 56.651 56.400 0.272 0.000 0.876 94 E CB 0.066 29.867 29.700 0.168 0.000 0.885 94 E HN 0.680 nan 8.360 nan 0.000 0.500 95 G N 2.197 111.109 108.800 0.186 0.000 2.256 95 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.272 95 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.272 95 G C -0.244 174.741 174.900 0.141 0.000 1.076 95 G CA 0.179 45.374 45.100 0.159 0.000 0.882 95 G HN 0.085 nan 8.290 nan 0.000 0.497 96 R N -0.583 120.000 120.500 0.138 0.000 2.807 96 R HA 0.781 5.121 4.340 -0.000 0.000 0.276 96 R C 0.545 176.910 176.300 0.108 0.000 0.979 96 R CA -0.291 55.897 56.100 0.145 0.000 0.928 96 R CB 1.643 32.039 30.300 0.160 0.000 1.191 96 R HN 0.567 nan 8.270 nan 0.000 0.471 97 A N 1.230 124.122 122.820 0.120 0.000 2.327 97 A HA 0.440 4.759 4.320 -0.000 0.000 0.255 97 A C -0.358 177.241 177.584 0.025 0.000 1.099 97 A CA -0.279 51.763 52.037 0.008 0.000 0.801 97 A CB 0.665 19.605 19.000 -0.100 0.000 1.062 97 A HN 0.380 nan 8.150 nan 0.000 0.496 98 V N 1.601 121.412 119.914 -0.172 0.000 2.439 98 V HA 0.280 4.400 4.120 -0.000 0.000 0.277 98 V C -0.430 175.413 176.094 -0.419 0.000 1.008 98 V CA 0.141 62.272 62.300 -0.282 0.000 0.846 98 V CB 0.609 32.015 31.823 -0.695 0.000 1.031 98 V HN 0.697 nan 8.190 nan 0.000 0.441 99 L N 4.896 126.016 121.223 -0.172 0.000 3.083 99 L HA 0.340 4.680 4.340 -0.000 0.000 0.286 99 L C 1.737 178.583 176.870 -0.040 0.000 1.307 99 L CA -0.283 54.354 54.840 -0.338 0.000 0.897 99 L CB 0.140 41.742 42.059 -0.761 0.000 1.306 99 L HN 0.784 nan 8.230 nan 0.000 0.569 100 H N -0.785 118.284 119.070 -0.001 0.000 2.491 100 H HA -0.067 4.489 4.556 -0.000 0.000 0.290 100 H C 1.892 177.154 175.328 -0.110 0.000 1.050 100 H CA 1.549 57.651 56.048 0.089 0.000 1.309 100 H CB -0.280 29.578 29.762 0.158 0.000 1.392 100 H HN 0.461 nan 8.280 nan 0.000 0.554 101 V N -0.647 119.043 119.914 -0.374 0.000 2.667 101 V HA 0.091 4.211 4.120 -0.000 0.000 0.252 101 V C 2.767 178.725 176.094 -0.226 0.000 1.065 101 V CA 1.007 63.086 62.300 -0.368 0.000 1.083 101 V CB -0.899 30.494 31.823 -0.717 0.000 0.692 101 V HN 0.440 nan 8.190 nan 0.000 0.468 102 A N 1.160 123.841 122.820 -0.231 0.000 1.898 102 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 102 A C 2.195 179.779 177.584 -0.000 0.000 1.181 102 A CA 2.000 53.942 52.037 -0.158 0.000 0.620 102 A CB -0.716 18.096 19.000 -0.314 0.000 0.819 102 A HN 0.580 nan 8.150 nan 0.000 0.442 103 L N -0.188 121.119 121.223 0.139 0.000 2.137 103 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 103 L C 2.289 179.231 176.870 0.120 0.000 1.085 103 L CA 1.745 56.733 54.840 0.248 0.000 0.760 103 L CB -0.477 41.816 42.059 0.390 0.000 0.893 103 L HN 0.568 nan 8.230 nan 0.000 0.434 104 R N -0.566 119.927 120.500 -0.012 0.000 2.586 104 R HA 0.099 4.439 4.340 -0.000 0.000 0.336 104 R C 0.166 176.398 176.300 -0.114 0.000 1.060 104 R CA -0.202 55.850 56.100 -0.081 0.000 1.079 104 R CB -0.706 29.470 30.300 -0.207 0.000 1.317 104 R HN 0.042 nan 8.270 nan 0.000 0.568 105 N N 2.357 120.994 118.700 -0.106 0.000 2.744 105 N HA 0.007 4.746 4.740 -0.000 0.000 0.290 105 N C 0.583 175.867 175.510 -0.377 0.000 1.206 105 N CA -0.150 52.785 53.050 -0.192 0.000 1.119 105 N CB 0.436 38.876 38.487 -0.078 0.000 1.449 105 N HN 0.084 nan 8.380 nan 0.000 0.514 106 R N 0.487 120.534 120.500 -0.754 0.000 2.159 106 R HA -0.032 4.308 4.340 -0.000 0.000 0.237 106 R C 1.243 177.375 176.300 -0.280 0.000 1.131 106 R CA 0.759 56.593 56.100 -0.444 0.000 0.982 106 R CB -0.757 29.323 30.300 -0.368 0.000 0.868 106 R HN 0.381 nan 8.270 nan 0.000 0.453 107 S N 1.177 116.688 115.700 -0.315 0.000 2.481 107 S HA -0.029 4.441 4.470 -0.000 0.000 0.231 107 S C 0.468 175.043 174.600 -0.042 0.000 0.996 107 S CA 0.215 58.379 58.200 -0.061 0.000 0.942 107 S CB -0.138 63.106 63.200 0.072 0.000 0.768 107 S HN 0.312 nan 8.310 nan 0.000 0.520 108 N N 0.819 119.477 118.700 -0.069 0.000 2.753 108 N HA -0.129 4.611 4.740 -0.000 0.000 0.251 108 N C -0.655 174.838 175.510 -0.028 0.000 1.097 108 N CA 0.942 53.968 53.050 -0.040 0.000 0.786 108 N CB -2.002 36.472 38.487 -0.020 0.000 1.137 108 N HN 0.345 nan 8.380 nan 0.000 0.566 109 T N 2.414 116.957 114.554 -0.017 0.000 2.871 109 T HA 0.162 4.512 4.350 -0.000 0.000 0.296 109 T C -2.152 172.526 174.700 -0.037 0.000 0.998 109 T CA -0.323 61.767 62.100 -0.016 0.000 1.162 109 T CB 0.793 69.662 68.868 0.001 0.000 0.947 109 T HN 0.044 nan 8.240 nan 0.000 0.536 110 P HA 0.249 nan 4.420 nan 0.000 0.268 110 P C -0.570 176.678 177.300 -0.086 0.000 1.204 110 P CA 0.019 63.080 63.100 -0.065 0.000 0.768 110 P CB 0.351 32.019 31.700 -0.054 0.000 0.842 111 I N 3.666 124.159 120.570 -0.128 0.000 2.466 111 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 111 I C -0.319 175.674 176.117 -0.208 0.000 1.026 111 I CA -0.694 60.500 61.300 -0.177 0.000 1.078 111 I CB 1.371 39.228 38.000 -0.239 0.000 1.249 111 I HN 0.046 nan 8.210 nan 0.000 0.429 112 L N 6.986 128.098 121.223 -0.184 0.000 2.322 112 L HA 0.654 4.993 4.340 -0.000 0.000 0.281 112 L C -0.521 176.236 176.870 -0.189 0.000 1.014 112 L CA -0.959 53.783 54.840 -0.164 0.000 0.815 112 L CB 2.063 44.059 42.059 -0.105 0.000 1.247 112 L HN 0.332 nan 8.230 nan 0.000 0.421 113 V N 2.657 122.459 119.914 -0.186 0.000 2.444 113 V HA 0.427 4.547 4.120 -0.000 0.000 0.294 113 V C -0.662 175.395 176.094 -0.063 0.000 1.022 113 V CA -0.172 62.039 62.300 -0.150 0.000 0.850 113 V CB 1.395 33.091 31.823 -0.211 0.000 0.992 113 V HN 0.889 nan 8.190 nan 0.000 0.426 114 D N 4.811 125.189 120.400 -0.036 0.000 2.716 114 D HA -0.152 4.488 4.640 -0.000 0.000 0.239 114 D C 1.089 177.379 176.300 -0.016 0.000 1.125 114 D CA 1.745 55.740 54.000 -0.009 0.000 0.681 114 D CB -1.322 39.489 40.800 0.018 0.000 1.070 114 D HN 1.857 nan 8.370 nan 0.000 0.432 115 G N -0.058 108.724 108.800 -0.032 0.000 2.203 115 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.263 115 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.263 115 G C 0.251 175.132 174.900 -0.033 0.000 1.012 115 G CA 1.063 46.144 45.100 -0.031 0.000 0.749 115 G HN 0.667 nan 8.290 nan 0.000 0.512 116 K N -0.036 120.336 120.400 -0.046 0.000 2.482 116 K HA 0.452 4.772 4.320 -0.000 0.000 0.251 116 K C -1.249 175.304 176.600 -0.079 0.000 0.936 116 K CA -0.982 55.278 56.287 -0.045 0.000 0.791 116 K CB 1.309 33.796 32.500 -0.021 0.000 1.213 116 K HN -0.016 nan 8.250 nan 0.000 0.428 117 D N 3.075 123.431 120.400 -0.073 0.000 2.348 117 D HA 0.019 4.659 4.640 -0.000 0.000 0.253 117 D C 0.992 177.223 176.300 -0.114 0.000 1.161 117 D CA -0.250 53.691 54.000 -0.099 0.000 0.876 117 D CB 1.615 42.373 40.800 -0.070 0.000 1.160 117 D HN 0.337 nan 8.370 nan 0.000 0.459 118 V N 2.022 121.826 119.914 -0.182 0.000 3.235 118 V HA -0.065 4.054 4.120 -0.000 0.000 0.259 118 V C 2.007 177.994 176.094 -0.178 0.000 1.133 118 V CA 0.198 62.369 62.300 -0.215 0.000 1.128 118 V CB -0.407 31.198 31.823 -0.364 0.000 0.757 118 V HN 0.408 nan 8.190 nan 0.000 0.469 119 M N 0.986 120.509 119.600 -0.129 0.000 2.106 119 M HA -0.021 4.459 4.480 -0.000 0.000 0.259 119 M C 0.218 176.508 176.300 -0.017 0.000 1.068 119 M CA 1.776 57.035 55.300 -0.068 0.000 1.100 119 M CB -2.709 29.859 32.600 -0.055 0.000 1.351 119 M HN 0.342 nan 8.290 nan 0.000 0.404 120 P HA -0.136 nan 4.420 nan 0.000 0.214 120 P C 1.510 178.851 177.300 0.068 0.000 1.163 120 P CA 1.155 64.273 63.100 0.031 0.000 0.883 120 P CB -0.135 31.578 31.700 0.022 0.000 0.788 121 E N -0.440 119.790 120.200 0.050 0.000 2.118 121 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 121 E C 2.120 178.875 176.600 0.258 0.000 0.992 121 E CA 0.964 57.456 56.400 0.153 0.000 0.804 121 E CB -1.068 28.698 29.700 0.109 0.000 0.741 121 E HN 0.067 nan 8.360 nan 0.000 0.458 122 V N 1.821 121.777 119.914 0.070 0.000 2.287 122 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 122 V C 1.898 178.173 176.094 0.302 0.000 1.053 122 V CA 2.110 64.553 62.300 0.238 0.000 1.027 122 V CB -0.639 31.253 31.823 0.115 0.000 0.646 122 V HN 0.292 nan 8.190 nan 0.000 0.447 123 N N -0.399 118.416 118.700 0.191 0.000 2.270 123 N HA -0.181 4.559 4.740 -0.000 0.000 0.181 123 N C 1.881 177.504 175.510 0.187 0.000 1.016 123 N CA 1.011 54.170 53.050 0.182 0.000 0.870 123 N CB -0.138 38.420 38.487 0.118 0.000 0.979 123 N HN 0.471 nan 8.380 nan 0.000 0.431 124 K N 1.226 121.734 120.400 0.180 0.000 2.032 124 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 124 K C 1.727 178.436 176.600 0.183 0.000 1.048 124 K CA 1.185 57.567 56.287 0.158 0.000 0.927 124 K CB -0.124 32.465 32.500 0.149 0.000 0.712 124 K HN -0.065 nan 8.250 nan 0.000 0.441 125 V N 1.606 121.680 119.914 0.267 0.000 2.295 125 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 125 V C 2.366 178.634 176.094 0.290 0.000 1.049 125 V CA 1.712 64.180 62.300 0.280 0.000 1.024 125 V CB -0.408 31.637 31.823 0.368 0.000 0.648 125 V HN 0.341 nan 8.190 nan 0.000 0.447 126 L N -0.153 121.268 121.223 0.330 0.000 2.042 126 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 126 L C 2.428 179.394 176.870 0.160 0.000 1.076 126 L CA 1.682 56.754 54.840 0.387 0.000 0.749 126 L CB -0.760 41.581 42.059 0.470 0.000 0.893 126 L HN 0.370 nan 8.230 nan 0.000 0.432 127 D N -0.075 120.396 120.400 0.119 0.000 2.117 127 D HA -0.214 4.426 4.640 -0.000 0.000 0.197 127 D C 2.084 178.381 176.300 -0.005 0.000 0.987 127 D CA 1.189 55.197 54.000 0.013 0.000 0.829 127 D CB -0.072 40.759 40.800 0.052 0.000 0.961 127 D HN 0.247 nan 8.370 nan 0.000 0.460 128 K N 0.188 120.632 120.400 0.074 0.000 2.057 128 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 128 K C 2.204 178.933 176.600 0.215 0.000 1.049 128 K CA 0.934 57.280 56.287 0.099 0.000 0.931 128 K CB -0.022 32.498 32.500 0.033 0.000 0.714 128 K HN 0.051 nan 8.250 nan 0.000 0.440 129 M N 0.700 120.431 119.600 0.219 0.000 2.086 129 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 129 M C 2.365 178.607 176.300 -0.096 0.000 1.067 129 M CA 1.730 57.128 55.300 0.162 0.000 1.116 129 M CB -0.290 32.420 32.600 0.183 0.000 1.348 129 M HN 0.090 nan 8.290 nan 0.000 0.407 130 K N -0.107 119.933 120.400 -0.601 0.000 2.063 130 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 130 K C 2.197 178.635 176.600 -0.269 0.000 1.048 130 K CA 1.910 57.646 56.287 -0.918 0.000 0.928 130 K CB -0.185 31.563 32.500 -1.255 0.000 0.713 130 K HN 0.226 nan 8.250 nan 0.000 0.442 131 S N -0.106 115.531 115.700 -0.105 0.000 2.355 131 S HA -0.173 4.297 4.470 -0.000 0.000 0.222 131 S C 1.809 176.464 174.600 0.091 0.000 1.031 131 S CA 1.074 59.284 58.200 0.018 0.000 0.993 131 S CB -0.537 62.702 63.200 0.065 0.000 0.859 131 S HN 0.463 nan 8.310 nan 0.000 0.453 132 F N 1.880 121.837 119.950 0.011 0.000 2.095 132 F HA -0.126 4.400 4.527 -0.000 0.000 0.298 132 F C 2.538 178.297 175.800 -0.069 0.000 1.104 132 F CA 1.523 59.523 58.000 -0.000 0.000 1.232 132 F CB -0.991 38.059 39.000 0.083 0.000 0.987 132 F HN 0.330 nan 8.300 nan 0.000 0.475 133 C N 0.247 119.526 119.300 -0.035 0.000 2.429 133 C HA -0.188 4.272 4.460 -0.000 0.000 0.277 133 C C 2.811 177.731 174.990 -0.116 0.000 1.262 133 C CA 1.243 60.192 59.018 -0.114 0.000 1.733 133 C CB -1.120 26.637 27.740 0.028 0.000 2.010 133 C HN 0.561 nan 8.230 nan 0.000 0.483 134 Q N 1.099 120.864 119.800 -0.057 0.000 2.030 134 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 134 Q C 2.393 178.368 176.000 -0.042 0.000 0.986 134 Q CA 1.732 57.519 55.803 -0.026 0.000 0.843 134 Q CB -0.324 28.414 28.738 -0.001 0.000 0.904 134 Q HN 0.646 nan 8.270 nan 0.000 0.420 135 R N -0.686 119.784 120.500 -0.051 0.000 2.096 135 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 135 R C 2.433 178.706 176.300 -0.045 0.000 1.127 135 R CA 1.397 57.498 56.100 0.001 0.000 0.968 135 R CB -0.201 30.169 30.300 0.116 0.000 0.861 135 R HN 0.111 nan 8.270 nan 0.000 0.440 136 V N 0.687 120.442 119.914 -0.265 0.000 2.407 136 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 136 V C 2.234 178.245 176.094 -0.138 0.000 1.041 136 V CA 1.481 63.608 62.300 -0.288 0.000 1.040 136 V CB -0.398 31.041 31.823 -0.642 0.000 0.671 136 V HN 0.235 nan 8.190 nan 0.000 0.455 137 R N 0.720 121.144 120.500 -0.127 0.000 2.120 137 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 137 R C 2.524 178.808 176.300 -0.027 0.000 1.123 137 R CA 1.686 57.749 56.100 -0.062 0.000 0.975 137 R CB -0.340 29.935 30.300 -0.042 0.000 0.866 137 R HN 0.683 nan 8.270 nan 0.000 0.446 138 S N -1.684 114.005 115.700 -0.018 0.000 2.446 138 S HA 0.095 4.564 4.470 -0.000 0.000 0.225 138 S C 1.462 176.070 174.600 0.013 0.000 1.016 138 S CA 0.696 58.898 58.200 0.003 0.000 0.943 138 S CB 0.821 64.027 63.200 0.009 0.000 0.786 138 S HN 0.466 nan 8.310 nan 0.000 0.508 139 G N 0.928 109.741 108.800 0.022 0.000 2.184 139 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.206 139 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.206 139 G C 0.394 175.321 174.900 0.045 0.000 0.995 139 G CA 0.480 45.601 45.100 0.036 0.000 0.651 139 G HN 0.525 nan 8.290 nan 0.000 0.511 140 D N -0.620 119.812 120.400 0.053 0.000 2.097 140 D HA -0.074 4.566 4.640 -0.000 0.000 0.195 140 D C 1.089 177.427 176.300 0.064 0.000 0.989 140 D CA 0.883 54.913 54.000 0.051 0.000 0.827 140 D CB -0.034 40.802 40.800 0.061 0.000 0.966 140 D HN 0.379 nan 8.370 nan 0.000 0.456 141 W N 2.217 123.474 121.300 -0.071 0.000 2.446 141 W HA 0.187 4.847 4.660 -0.000 0.000 0.316 141 W C -0.503 175.980 176.519 -0.060 0.000 1.376 141 W CA -0.215 57.086 57.345 -0.074 0.000 1.300 141 W CB 0.312 29.677 29.460 -0.158 0.000 1.351 141 W HN -0.156 nan 8.180 nan 0.000 0.530 142 K N 4.218 124.438 120.400 -0.301 0.000 2.156 142 K HA 0.517 4.837 4.320 -0.000 0.000 0.250 142 K C 0.460 176.986 176.600 -0.123 0.000 0.955 142 K CA -0.634 55.577 56.287 -0.126 0.000 0.855 142 K CB 1.395 33.824 32.500 -0.118 0.000 1.101 142 K HN 0.593 nan 8.250 nan 0.000 0.434 143 G N 0.238 109.058 108.800 0.034 0.000 2.616 143 G HA2 0.091 4.051 3.960 -0.000 0.000 0.268 143 G HA3 0.091 4.051 3.960 -0.000 0.000 0.268 143 G C 0.658 175.702 174.900 0.240 0.000 1.213 143 G CA -0.242 44.969 45.100 0.184 0.000 0.926 143 G HN 0.719 nan 8.290 nan 0.000 0.523 144 Y N -1.925 118.694 120.300 0.531 0.000 2.569 144 Y HA -0.008 4.542 4.550 -0.000 0.000 0.293 144 Y C 2.055 178.043 175.900 0.147 0.000 1.144 144 Y CA 1.308 59.590 58.100 0.304 0.000 1.321 144 Y CB -0.340 38.333 38.460 0.355 0.000 0.982 144 Y HN 0.353 nan 8.280 nan 0.000 0.558 145 T N -3.891 110.420 114.554 -0.404 0.000 3.129 145 T HA 0.511 4.861 4.350 -0.000 0.000 0.267 145 T C 1.379 175.998 174.700 -0.134 0.000 1.018 145 T CA 0.066 61.981 62.100 -0.309 0.000 0.903 145 T CB 0.026 68.628 68.868 -0.444 0.000 1.067 145 T HN 0.826 nan 8.240 nan 0.000 0.549 146 G N 1.725 110.480 108.800 -0.074 0.000 2.141 146 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.242 146 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.242 146 G C -0.047 174.837 174.900 -0.026 0.000 0.982 146 G CA -0.118 44.956 45.100 -0.042 0.000 0.662 146 G HN 0.620 nan 8.290 nan 0.000 0.527 147 K N 1.024 121.415 120.400 -0.016 0.000 2.087 147 K HA 0.551 4.871 4.320 -0.000 0.000 0.255 147 K C 1.066 177.693 176.600 0.046 0.000 0.988 147 K CA 0.117 56.411 56.287 0.012 0.000 0.915 147 K CB 1.018 33.527 32.500 0.014 0.000 1.043 147 K HN 0.396 nan 8.250 nan 0.000 0.457 148 T N -1.624 112.960 114.554 0.049 0.000 2.813 148 T HA 0.250 4.600 4.350 -0.000 0.000 0.297 148 T C 0.731 175.485 174.700 0.091 0.000 1.036 148 T CA -0.749 61.391 62.100 0.067 0.000 1.044 148 T CB 0.401 69.297 68.868 0.046 0.000 0.993 148 T HN 0.240 nan 8.240 nan 0.000 0.535 149 I N 2.868 123.495 120.570 0.094 0.000 2.352 149 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 149 I C 1.679 177.828 176.117 0.055 0.000 1.036 149 I CA -0.157 61.194 61.300 0.084 0.000 1.336 149 I CB 0.740 38.767 38.000 0.046 0.000 1.407 149 I HN 1.074 nan 8.210 nan 0.000 0.497 150 T N 0.933 115.530 114.554 0.072 0.000 2.990 150 T HA 0.204 4.554 4.350 -0.000 0.000 0.249 150 T C 0.254 175.005 174.700 0.085 0.000 1.039 150 T CA -0.085 62.059 62.100 0.072 0.000 1.036 150 T CB 0.122 69.043 68.868 0.088 0.000 0.994 150 T HN 0.456 nan 8.240 nan 0.000 0.489 151 D N 0.530 120.976 120.400 0.077 0.000 2.649 151 D HA 0.613 5.253 4.640 -0.000 0.000 0.249 151 D C -1.482 174.798 176.300 -0.033 0.000 1.112 151 D CA -0.502 53.558 54.000 0.100 0.000 0.850 151 D CB 2.711 43.596 40.800 0.141 0.000 1.399 151 D HN 0.009 nan 8.370 nan 0.000 0.503 152 V N 2.954 122.847 119.914 -0.036 0.000 2.448 152 V HA 0.476 4.595 4.120 -0.000 0.000 0.295 152 V C -0.543 175.427 176.094 -0.206 0.000 1.025 152 V CA -0.650 61.550 62.300 -0.167 0.000 0.859 152 V CB 1.331 33.062 31.823 -0.154 0.000 0.988 152 V HN 0.455 nan 8.190 nan 0.000 0.431 153 I N 4.406 124.753 120.570 -0.373 0.000 2.382 153 I HA 0.358 4.528 4.170 -0.000 0.000 0.285 153 I C -0.004 175.949 176.117 -0.273 0.000 1.007 153 I CA -0.140 60.940 61.300 -0.366 0.000 1.142 153 I CB 1.439 39.096 38.000 -0.571 0.000 1.289 153 I HN 0.563 nan 8.210 nan 0.000 0.453 154 N N 6.651 125.148 118.700 -0.338 0.000 2.472 154 N HA 0.537 5.276 4.740 -0.000 0.000 0.277 154 N C -1.073 174.379 175.510 -0.097 0.000 1.081 154 N CA -0.158 52.769 53.050 -0.206 0.000 0.973 154 N CB 0.812 39.164 38.487 -0.226 0.000 1.105 154 N HN 0.462 nan 8.380 nan 0.000 0.470 155 I N 2.802 123.351 120.570 -0.034 0.000 2.411 155 I HA 0.598 4.768 4.170 -0.000 0.000 0.284 155 I C 0.475 176.566 176.117 -0.043 0.000 1.012 155 I CA -0.535 60.743 61.300 -0.037 0.000 1.119 155 I CB 1.446 39.434 38.000 -0.021 0.000 1.261 155 I HN 0.630 nan 8.210 nan 0.000 0.448 156 G N 6.073 114.853 108.800 -0.034 0.000 2.523 156 G HA2 0.630 4.590 3.960 -0.000 0.000 0.291 156 G HA3 0.630 4.590 3.960 -0.000 0.000 0.291 156 G C -2.135 172.750 174.900 -0.024 0.000 1.450 156 G CA -0.460 44.619 45.100 -0.035 0.000 0.790 156 G HN 0.490 nan 8.290 nan 0.000 0.496 157 I N -0.234 120.316 120.570 -0.033 0.000 2.865 157 I HA 0.639 4.809 4.170 -0.000 0.000 0.302 157 I C 0.985 177.074 176.117 -0.047 0.000 1.140 157 I CA 0.803 62.086 61.300 -0.029 0.000 1.021 157 I CB 1.981 39.965 38.000 -0.027 0.000 1.233 157 I HN 1.926 nan 8.210 nan 0.000 0.427 158 G N 4.113 112.877 108.800 -0.060 0.000 2.596 158 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.304 158 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.304 158 G C 0.911 175.741 174.900 -0.118 0.000 1.189 158 G CA 0.476 45.518 45.100 -0.095 0.000 0.986 158 G HN 1.354 nan 8.290 nan 0.000 0.548 159 G N -0.531 108.198 108.800 -0.119 0.000 2.470 159 G HA2 0.139 4.099 3.960 -0.000 0.000 0.220 159 G HA3 0.139 4.099 3.960 -0.000 0.000 0.220 159 G C 1.709 176.551 174.900 -0.097 0.000 1.121 159 G CA 1.973 46.997 45.100 -0.126 0.000 0.766 159 G HN 1.234 nan 8.290 nan 0.000 0.553 160 S N -0.635 115.026 115.700 -0.065 0.000 2.577 160 S HA 0.169 4.639 4.470 -0.000 0.000 0.219 160 S C 1.104 175.678 174.600 -0.044 0.000 0.962 160 S CA 0.554 58.722 58.200 -0.053 0.000 0.921 160 S CB 0.347 63.541 63.200 -0.011 0.000 0.789 160 S HN 0.591 nan 8.310 nan 0.000 0.497 161 D N 0.552 120.915 120.400 -0.062 0.000 3.050 161 D HA 0.217 4.857 4.640 -0.000 0.000 0.281 161 D C 1.570 177.774 176.300 -0.160 0.000 1.246 161 D CA -0.095 53.876 54.000 -0.049 0.000 1.073 161 D CB -0.332 40.454 40.800 -0.022 0.000 1.382 161 D HN 0.137 nan 8.370 nan 0.000 0.433 162 L N 0.460 121.597 121.223 -0.142 0.000 2.027 162 L HA 0.131 4.471 4.340 -0.000 0.000 0.206 162 L C 2.384 179.185 176.870 -0.116 0.000 1.074 162 L CA 1.618 56.377 54.840 -0.136 0.000 0.745 162 L CB -0.580 41.416 42.059 -0.105 0.000 0.898 162 L HN 0.278 nan 8.230 nan 0.000 0.433 163 G N 0.310 109.097 108.800 -0.023 0.000 2.480 163 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 163 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 163 G C -0.824 173.829 174.900 -0.411 0.000 1.200 163 G CA 0.845 45.770 45.100 -0.291 0.000 0.782 163 G HN 0.312 nan 8.290 nan 0.000 0.554 164 P HA -0.081 nan 4.420 nan 0.000 0.216 164 P C 2.072 179.036 177.300 -0.560 0.000 1.150 164 P CA 0.644 63.556 63.100 -0.314 0.000 0.837 164 P CB -0.120 31.502 31.700 -0.130 0.000 0.786 165 L N -1.648 119.040 121.223 -0.892 0.000 2.027 165 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 165 L C 2.318 178.884 176.870 -0.507 0.000 1.074 165 L CA 1.713 55.903 54.840 -1.083 0.000 0.745 165 L CB -0.610 40.906 42.059 -0.906 0.000 0.898 165 L HN -0.062 nan 8.230 nan 0.000 0.433 166 M N -0.630 118.729 119.600 -0.402 0.000 2.117 166 M HA -0.166 4.313 4.480 -0.000 0.000 0.262 166 M C 2.161 178.323 176.300 -0.231 0.000 1.065 166 M CA 2.009 57.129 55.300 -0.300 0.000 1.114 166 M CB -0.524 31.873 32.600 -0.338 0.000 1.361 166 M HN 0.227 nan 8.290 nan 0.000 0.408 167 V N 0.940 120.684 119.914 -0.284 0.000 2.295 167 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 167 V C 2.660 178.704 176.094 -0.084 0.000 1.049 167 V CA 2.378 64.565 62.300 -0.188 0.000 1.024 167 V CB -1.588 30.099 31.823 -0.227 0.000 0.648 167 V HN 0.695 nan 8.190 nan 0.000 0.447 168 T N -2.093 112.414 114.554 -0.078 0.000 2.759 168 T HA -0.221 4.129 4.350 -0.000 0.000 0.269 168 T C 1.727 176.464 174.700 0.062 0.000 1.042 168 T CA 1.477 63.603 62.100 0.042 0.000 1.140 168 T CB -0.339 68.537 68.868 0.013 0.000 0.864 168 T HN 0.429 nan 8.240 nan 0.000 0.455 169 E N 1.896 122.104 120.200 0.013 0.000 2.051 169 E HA 0.006 4.356 4.350 -0.000 0.000 0.192 169 E C 2.653 179.346 176.600 0.155 0.000 0.991 169 E CA 1.409 57.886 56.400 0.127 0.000 0.799 169 E CB -0.766 29.005 29.700 0.119 0.000 0.748 169 E HN 0.702 nan 8.360 nan 0.000 0.449 170 A N 0.603 123.474 122.820 0.085 0.000 2.067 170 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 170 A C 1.892 179.441 177.584 -0.057 0.000 1.158 170 A CA 0.775 52.864 52.037 0.087 0.000 0.661 170 A CB -0.198 18.846 19.000 0.073 0.000 0.801 170 A HN 0.162 nan 8.150 nan 0.000 0.452 171 L N -1.270 119.933 121.223 -0.033 0.000 3.110 171 L HA 0.190 4.529 4.340 -0.000 0.000 0.266 171 L C 1.524 178.413 176.870 0.031 0.000 1.257 171 L CA -0.275 54.590 54.840 0.041 0.000 1.038 171 L CB 0.315 42.400 42.059 0.043 0.000 1.395 171 L HN 0.097 nan 8.230 nan 0.000 0.566 172 K N 1.873 122.185 120.400 -0.147 0.000 2.103 172 K HA -0.100 4.219 4.320 -0.000 0.000 0.207 172 K C -0.745 175.757 176.600 -0.163 0.000 1.048 172 K CA 1.641 57.884 56.287 -0.074 0.000 0.930 172 K CB -0.868 31.639 32.500 0.012 0.000 0.716 172 K HN 0.127 nan 8.250 nan 0.000 0.444 173 P HA -0.102 nan 4.420 nan 0.000 0.225 173 P C 0.037 177.037 177.300 -0.499 0.000 1.148 173 P CA 1.089 63.960 63.100 -0.382 0.000 0.779 173 P CB -0.009 31.349 31.700 -0.570 0.000 0.780 174 Y N -1.033 119.167 120.300 -0.165 0.000 2.493 174 Y HA 0.130 4.680 4.550 -0.000 0.000 0.275 174 Y C 1.646 177.441 175.900 -0.175 0.000 1.183 174 Y CA 0.097 58.116 58.100 -0.134 0.000 1.258 174 Y CB -0.509 37.891 38.460 -0.101 0.000 1.108 174 Y HN 0.016 nan 8.280 nan 0.000 0.521 175 S N -2.426 113.168 115.700 -0.176 0.000 2.572 175 S HA 0.117 4.587 4.470 -0.000 0.000 0.228 175 S C 0.631 175.092 174.600 -0.231 0.000 0.963 175 S CA -0.500 57.486 58.200 -0.357 0.000 0.939 175 S CB -0.062 62.611 63.200 -0.879 0.000 0.804 175 S HN 0.141 nan 8.310 nan 0.000 0.480 176 S N 1.422 117.039 115.700 -0.139 0.000 2.558 176 S HA 0.408 4.878 4.470 -0.000 0.000 0.293 176 S C 1.489 176.046 174.600 -0.071 0.000 1.292 176 S CA 1.001 59.147 58.200 -0.090 0.000 1.063 176 S CB -0.322 62.837 63.200 -0.069 0.000 0.831 176 S HN 1.480 nan 8.310 nan 0.000 0.499 177 G N 3.031 111.800 108.800 -0.052 0.000 2.155 177 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.257 177 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.257 177 G C 0.351 175.226 174.900 -0.041 0.000 0.983 177 G CA 0.119 45.199 45.100 -0.034 0.000 0.676 177 G HN 1.181 nan 8.290 nan 0.000 0.528 178 G N 0.141 108.897 108.800 -0.073 0.000 2.389 178 G HA2 0.732 4.692 3.960 -0.000 0.000 0.317 178 G HA3 0.732 4.692 3.960 -0.000 0.000 0.317 178 G C -1.739 173.165 174.900 0.007 0.000 1.137 178 G CA -0.821 44.239 45.100 -0.066 0.000 0.870 178 G HN 0.231 nan 8.290 nan 0.000 0.496 179 P HA 0.226 nan 4.420 nan 0.000 0.274 179 P C 0.009 177.384 177.300 0.126 0.000 1.231 179 P CA -0.431 62.705 63.100 0.061 0.000 0.790 179 P CB 1.191 32.904 31.700 0.023 0.000 0.951 180 R N 0.337 120.882 120.500 0.076 0.000 2.734 180 R HA 0.308 4.648 4.340 -0.000 0.000 0.266 180 R C 0.037 176.253 176.300 -0.140 0.000 1.044 180 R CA -0.322 55.763 56.100 -0.025 0.000 1.128 180 R CB 0.147 30.389 30.300 -0.097 0.000 1.010 180 R HN 0.352 nan 8.270 nan 0.000 0.461 181 V N -0.760 118.898 119.914 -0.426 0.000 2.680 181 V HA 0.643 4.763 4.120 -0.000 0.000 0.309 181 V C -1.137 174.589 176.094 -0.612 0.000 1.052 181 V CA -1.182 60.833 62.300 -0.476 0.000 0.908 181 V CB 1.429 32.900 31.823 -0.586 0.000 1.001 181 V HN 0.688 nan 8.190 nan 0.000 0.431 182 W N 1.684 122.673 121.300 -0.517 0.000 2.936 182 W HA 0.757 5.416 4.660 -0.000 0.000 0.338 182 W C -1.427 174.677 176.519 -0.692 0.000 1.121 182 W CA -0.746 56.364 57.345 -0.392 0.000 1.209 182 W CB 1.700 30.997 29.460 -0.272 0.000 1.420 182 W HN 0.549 nan 8.180 nan 0.000 0.516 183 Y N 1.751 122.101 120.300 0.083 0.000 2.345 183 Y HA 0.548 5.097 4.550 -0.000 0.000 0.331 183 Y C -0.095 175.711 175.900 -0.156 0.000 0.959 183 Y CA -1.122 56.961 58.100 -0.028 0.000 1.204 183 Y CB 1.236 39.676 38.460 -0.032 0.000 1.135 183 Y HN 0.001 nan 8.280 nan 0.000 0.477 184 V N 3.347 123.152 119.914 -0.182 0.000 2.394 184 V HA 0.368 4.487 4.120 -0.000 0.000 0.282 184 V C 0.268 176.209 176.094 -0.256 0.000 1.031 184 V CA 0.221 62.227 62.300 -0.491 0.000 0.881 184 V CB 1.368 32.998 31.823 -0.321 0.000 0.982 184 V HN 0.973 nan 8.190 nan 0.000 0.451 185 S N 2.718 118.285 115.700 -0.221 0.000 3.330 185 S HA 0.136 4.606 4.470 -0.000 0.000 0.259 185 S C 0.646 175.299 174.600 0.088 0.000 1.095 185 S CA -0.233 57.973 58.200 0.010 0.000 0.841 185 S CB -0.174 63.072 63.200 0.077 0.000 0.890 185 S HN 0.545 nan 8.310 nan 0.000 0.446 186 N N 1.635 120.498 118.700 0.273 0.000 2.441 186 N HA 0.161 4.901 4.740 -0.000 0.000 0.251 186 N C 0.731 176.304 175.510 0.105 0.000 1.242 186 N CA -0.020 53.134 53.050 0.173 0.000 0.898 186 N CB 0.886 39.476 38.487 0.171 0.000 1.100 186 N HN 0.350 nan 8.380 nan 0.000 0.443 187 I N 1.554 122.153 120.570 0.049 0.000 2.617 187 I HA -0.044 4.126 4.170 -0.000 0.000 0.256 187 I C 0.251 176.388 176.117 0.034 0.000 1.167 187 I CA 0.489 61.804 61.300 0.025 0.000 1.469 187 I CB -0.604 37.401 38.000 0.007 0.000 1.098 187 I HN 0.535 nan 8.210 nan 0.000 0.436 188 D N 0.873 121.298 120.400 0.041 0.000 2.554 188 D HA -0.045 4.595 4.640 -0.000 0.000 0.251 188 D C 1.618 177.949 176.300 0.052 0.000 1.213 188 D CA 0.925 54.946 54.000 0.035 0.000 0.900 188 D CB 0.750 41.562 40.800 0.020 0.000 1.135 188 D HN 0.367 nan 8.370 nan 0.000 0.522 189 G N 3.402 112.221 108.800 0.033 0.000 2.469 189 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.220 189 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.220 189 G C 1.529 176.452 174.900 0.039 0.000 1.136 189 G CA 1.254 46.371 45.100 0.029 0.000 0.759 189 G HN 0.596 nan 8.290 nan 0.000 0.562 190 T N -0.474 114.101 114.554 0.035 0.000 2.680 190 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 190 T C 1.897 176.648 174.700 0.086 0.000 1.033 190 T CA 1.790 63.911 62.100 0.036 0.000 1.152 190 T CB -0.405 68.469 68.868 0.011 0.000 0.859 190 T HN 0.631 nan 8.240 nan 0.000 0.452 191 H N -0.763 118.303 119.070 -0.007 0.000 2.293 191 H HA -0.037 4.519 4.556 -0.000 0.000 0.300 191 H C 2.375 177.686 175.328 -0.029 0.000 1.082 191 H CA 1.269 57.315 56.048 -0.002 0.000 1.308 191 H CB -0.057 29.710 29.762 0.009 0.000 1.375 191 H HN 0.244 nan 8.280 nan 0.000 0.495 192 I N 0.681 121.279 120.570 0.047 0.000 2.286 192 I HA -0.133 4.037 4.170 -0.000 0.000 0.245 192 I C 2.404 178.452 176.117 -0.115 0.000 1.104 192 I CA 1.384 62.635 61.300 -0.082 0.000 1.397 192 I CB -0.503 37.447 38.000 -0.082 0.000 1.072 192 I HN 0.296 nan 8.210 nan 0.000 0.417 193 A N 1.485 124.270 122.820 -0.058 0.000 1.877 193 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 193 A C 2.378 179.914 177.584 -0.081 0.000 1.186 193 A CA 2.252 54.245 52.037 -0.073 0.000 0.620 193 A CB -0.891 18.096 19.000 -0.021 0.000 0.822 193 A HN 0.620 nan 8.150 nan 0.000 0.443 194 K N -1.148 119.235 120.400 -0.028 0.000 2.283 194 K HA -0.071 4.249 4.320 -0.000 0.000 0.202 194 K C 1.628 178.179 176.600 -0.081 0.000 1.048 194 K CA 1.739 58.016 56.287 -0.016 0.000 0.948 194 K CB -0.577 31.947 32.500 0.041 0.000 0.742 194 K HN 0.306 nan 8.250 nan 0.000 0.458 195 T N 2.284 116.753 114.554 -0.141 0.000 2.732 195 T HA 0.013 4.363 4.350 -0.000 0.000 0.261 195 T C 1.871 176.245 174.700 -0.542 0.000 1.040 195 T CA 1.174 63.057 62.100 -0.362 0.000 1.145 195 T CB -0.169 68.510 68.868 -0.314 0.000 0.866 195 T HN 0.130 nan 8.240 nan 0.000 0.427 196 L N 1.029 121.955 121.223 -0.494 0.000 2.131 196 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 196 L C 2.945 179.616 176.870 -0.332 0.000 1.092 196 L CA 0.987 55.416 54.840 -0.683 0.000 0.759 196 L CB -0.667 40.773 42.059 -1.031 0.000 0.903 196 L HN 0.240 nan 8.230 nan 0.000 0.435 197 A N -0.513 122.195 122.820 -0.187 0.000 2.125 197 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 197 A C 1.975 179.540 177.584 -0.032 0.000 1.156 197 A CA 1.307 53.321 52.037 -0.038 0.000 0.671 197 A CB -0.292 18.698 19.000 -0.017 0.000 0.794 197 A HN 0.550 nan 8.150 nan 0.000 0.459 198 Q N -0.987 118.725 119.800 -0.146 0.000 2.220 198 Q HA 0.447 4.787 4.340 -0.000 0.000 0.205 198 Q C -0.824 175.107 176.000 -0.114 0.000 0.865 198 Q CA -0.113 55.628 55.803 -0.104 0.000 0.960 198 Q CB 0.447 29.109 28.738 -0.126 0.000 1.097 198 Q HN 0.552 nan 8.270 nan 0.000 0.493 199 L N 0.142 121.313 121.223 -0.086 0.000 2.354 199 L HA 0.449 4.789 4.340 -0.000 0.000 0.264 199 L C -0.741 176.297 176.870 0.280 0.000 1.008 199 L CA -0.975 53.869 54.840 0.006 0.000 0.819 199 L CB 2.160 44.114 42.059 -0.174 0.000 1.339 199 L HN -0.006 nan 8.230 nan 0.000 0.420 200 N N 1.821 120.674 118.700 0.255 0.000 2.421 200 N HA 0.302 5.042 4.740 -0.000 0.000 0.285 200 N C -2.029 173.689 175.510 0.348 0.000 1.027 200 N CA -1.316 51.888 53.050 0.257 0.000 0.918 200 N CB 1.859 40.433 38.487 0.145 0.000 1.152 200 N HN 0.325 nan 8.380 nan 0.000 0.485 201 P HA -0.124 nan 4.420 nan 0.000 0.217 201 P C 0.594 178.111 177.300 0.362 0.000 1.150 201 P CA 1.084 64.351 63.100 0.278 0.000 0.832 201 P CB 0.359 31.929 31.700 -0.216 0.000 0.787 202 E N -0.266 120.078 120.200 0.241 0.000 2.160 202 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 202 E C 1.044 177.847 176.600 0.339 0.000 0.991 202 E CA 1.570 58.064 56.400 0.156 0.000 0.810 202 E CB -0.511 29.157 29.700 -0.054 0.000 0.742 202 E HN 0.301 nan 8.360 nan 0.000 0.466 203 S N -1.602 114.279 115.700 0.302 0.000 2.835 203 S HA 0.423 4.893 4.470 -0.000 0.000 0.248 203 S C -0.155 174.583 174.600 0.229 0.000 1.070 203 S CA -0.734 57.621 58.200 0.259 0.000 1.090 203 S CB 0.693 63.985 63.200 0.152 0.000 0.978 203 S HN -0.115 nan 8.310 nan 0.000 0.510 204 S N 1.787 117.675 115.700 0.315 0.000 2.519 204 S HA 0.672 5.142 4.470 -0.000 0.000 0.309 204 S C -1.091 173.572 174.600 0.105 0.000 1.100 204 S CA -0.613 57.645 58.200 0.096 0.000 1.059 204 S CB 1.577 64.805 63.200 0.047 0.000 1.008 204 S HN 0.566 nan 8.310 nan 0.000 0.478 205 L N 4.166 125.303 121.223 -0.144 0.000 2.296 205 L HA 0.682 5.022 4.340 -0.000 0.000 0.286 205 L C -1.635 174.981 176.870 -0.424 0.000 1.023 205 L CA -0.204 54.543 54.840 -0.155 0.000 0.812 205 L CB 0.258 42.250 42.059 -0.113 0.000 1.223 205 L HN 0.507 nan 8.230 nan 0.000 0.421 206 F N 5.514 125.228 119.950 -0.393 0.000 2.422 206 F HA 0.548 5.075 4.527 -0.000 0.000 0.333 206 F C 0.127 175.764 175.800 -0.272 0.000 1.095 206 F CA -0.355 57.374 58.000 -0.452 0.000 1.038 206 F CB 1.407 39.878 39.000 -0.881 0.000 1.156 206 F HN 0.241 nan 8.300 nan 0.000 0.483 207 I N 5.053 125.622 120.570 -0.002 0.000 2.420 207 I HA 0.255 4.425 4.170 -0.000 0.000 0.282 207 I C -1.012 175.134 176.117 0.047 0.000 1.019 207 I CA -0.600 60.697 61.300 -0.006 0.000 1.130 207 I CB 1.063 39.002 38.000 -0.102 0.000 1.262 207 I HN 0.292 nan 8.210 nan 0.000 0.454 208 I N 5.943 126.589 120.570 0.127 0.000 2.281 208 I HA 0.318 4.488 4.170 -0.000 0.000 0.293 208 I C 0.737 176.938 176.117 0.140 0.000 1.085 208 I CA -0.390 60.971 61.300 0.101 0.000 1.257 208 I CB 0.567 38.637 38.000 0.117 0.000 1.430 208 I HN 0.474 nan 8.210 nan 0.000 0.489 209 A N 4.924 127.775 122.820 0.052 0.000 2.253 209 A HA 0.669 4.989 4.320 -0.000 0.000 0.316 209 A C 0.155 177.783 177.584 0.073 0.000 1.327 209 A CA -0.347 51.736 52.037 0.076 0.000 0.917 209 A CB 0.703 19.709 19.000 0.011 0.000 1.162 209 A HN 0.625 nan 8.150 nan 0.000 0.535 210 S N 2.071 117.884 115.700 0.188 0.000 2.616 210 S HA 0.226 4.696 4.470 -0.000 0.000 0.276 210 S C 0.606 175.351 174.600 0.240 0.000 1.159 210 S CA -0.488 57.798 58.200 0.143 0.000 1.000 210 S CB 0.969 64.139 63.200 -0.050 0.000 1.117 210 S HN 0.794 nan 8.310 nan 0.000 0.464 211 K N 2.154 122.706 120.400 0.253 0.000 2.044 211 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 211 K C 1.683 178.237 176.600 -0.077 0.000 1.049 211 K CA 2.570 58.886 56.287 0.048 0.000 0.927 211 K CB -0.419 32.155 32.500 0.124 0.000 0.713 211 K HN 0.792 nan 8.250 nan 0.000 0.443 212 T N -2.679 111.881 114.554 0.009 0.000 3.035 212 T HA -0.017 4.333 4.350 -0.000 0.000 0.259 212 T C 0.979 175.745 174.700 0.110 0.000 1.078 212 T CA 0.475 62.583 62.100 0.013 0.000 1.132 212 T CB -0.301 68.570 68.868 0.005 0.000 0.900 212 T HN 0.365 nan 8.240 nan 0.000 0.480 213 F N 2.142 122.047 119.950 -0.075 0.000 3.057 213 F HA -0.302 4.225 4.527 -0.000 0.000 0.287 213 F C 1.140 176.901 175.800 -0.065 0.000 0.834 213 F CA 1.065 59.017 58.000 -0.081 0.000 1.147 213 F CB -1.596 37.353 39.000 -0.084 0.000 1.245 213 F HN 0.507 nan 8.300 nan 0.000 0.509 214 T N -5.071 109.458 114.554 -0.042 0.000 3.016 214 T HA 0.174 4.524 4.350 -0.000 0.000 0.271 214 T C 0.599 175.251 174.700 -0.079 0.000 0.968 214 T CA 0.567 62.639 62.100 -0.047 0.000 0.891 214 T CB 0.090 68.962 68.868 0.008 0.000 1.149 214 T HN 0.102 nan 8.240 nan 0.000 0.524 215 T N 3.184 117.677 114.554 -0.100 0.000 2.866 215 T HA 0.043 4.393 4.350 -0.000 0.000 0.293 215 T C 1.197 175.837 174.700 -0.100 0.000 1.005 215 T CA 0.139 62.189 62.100 -0.084 0.000 1.162 215 T CB 1.281 70.098 68.868 -0.085 0.000 0.968 215 T HN 0.418 nan 8.240 nan 0.000 0.530 216 Q N 2.485 122.247 119.800 -0.063 0.000 2.050 216 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 216 Q C 1.845 177.806 176.000 -0.066 0.000 0.980 216 Q CA 1.811 57.581 55.803 -0.056 0.000 0.840 216 Q CB 0.037 28.758 28.738 -0.028 0.000 0.898 216 Q HN 0.751 nan 8.270 nan 0.000 0.424 217 E N -0.567 119.599 120.200 -0.057 0.000 2.085 217 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 217 E C 1.966 178.516 176.600 -0.084 0.000 0.994 217 E CA 1.978 58.347 56.400 -0.052 0.000 0.801 217 E CB -0.110 29.570 29.700 -0.034 0.000 0.743 217 E HN 0.325 nan 8.360 nan 0.000 0.453 218 T N 0.656 115.135 114.554 -0.125 0.000 2.812 218 T HA -0.040 4.310 4.350 -0.000 0.000 0.264 218 T C 1.687 176.230 174.700 -0.262 0.000 1.042 218 T CA 0.595 62.585 62.100 -0.183 0.000 1.140 218 T CB -0.011 68.727 68.868 -0.217 0.000 0.870 218 T HN 0.029 nan 8.240 nan 0.000 0.445 219 I N 1.864 122.262 120.570 -0.286 0.000 2.252 219 I HA -0.100 4.070 4.170 -0.000 0.000 0.245 219 I C 2.589 178.614 176.117 -0.153 0.000 1.102 219 I CA 1.406 62.513 61.300 -0.321 0.000 1.385 219 I CB -1.755 36.091 38.000 -0.257 0.000 1.064 219 I HN 0.251 nan 8.210 nan 0.000 0.414 220 T N 1.455 115.953 114.554 -0.093 0.000 2.674 220 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 220 T C 1.772 176.454 174.700 -0.031 0.000 1.039 220 T CA 1.391 63.469 62.100 -0.037 0.000 1.150 220 T CB -0.279 68.573 68.868 -0.027 0.000 0.864 220 T HN 0.259 nan 8.240 nan 0.000 0.427 221 N N 1.389 120.056 118.700 -0.055 0.000 2.149 221 N HA -0.069 4.671 4.740 -0.000 0.000 0.188 221 N C 2.076 177.567 175.510 -0.033 0.000 1.019 221 N CA 1.379 54.400 53.050 -0.047 0.000 0.857 221 N CB -0.490 37.959 38.487 -0.064 0.000 0.997 221 N HN 0.447 nan 8.380 nan 0.000 0.426 222 A N 1.258 124.037 122.820 -0.068 0.000 1.873 222 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 222 A C 2.113 179.823 177.584 0.210 0.000 1.186 222 A CA 1.306 53.338 52.037 -0.008 0.000 0.616 222 A CB -0.520 18.251 19.000 -0.382 0.000 0.823 222 A HN 0.317 nan 8.150 nan 0.000 0.442 223 E N -0.903 119.425 120.200 0.212 0.000 2.118 223 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 223 E C 2.046 178.705 176.600 0.098 0.000 0.992 223 E CA 1.584 58.116 56.400 0.219 0.000 0.804 223 E CB -0.270 29.525 29.700 0.158 0.000 0.741 223 E HN 0.580 nan 8.360 nan 0.000 0.458 224 T N 0.570 115.163 114.554 0.066 0.000 2.746 224 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 224 T C 1.936 176.680 174.700 0.073 0.000 1.039 224 T CA 1.197 63.328 62.100 0.052 0.000 1.142 224 T CB -0.198 68.681 68.868 0.018 0.000 0.866 224 T HN 0.261 nan 8.240 nan 0.000 0.444 225 A N 1.524 124.361 122.820 0.027 0.000 1.877 225 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 225 A C 2.190 179.870 177.584 0.160 0.000 1.186 225 A CA 2.073 54.078 52.037 -0.054 0.000 0.620 225 A CB -0.548 18.248 19.000 -0.339 0.000 0.822 225 A HN 0.490 nan 8.150 nan 0.000 0.443 226 K N -0.152 120.317 120.400 0.115 0.000 2.147 226 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 226 K C 2.030 178.672 176.600 0.070 0.000 1.049 226 K CA 1.629 57.879 56.287 -0.061 0.000 0.936 226 K CB -0.136 32.113 32.500 -0.419 0.000 0.722 226 K HN 0.652 nan 8.250 nan 0.000 0.446 227 E N -0.508 119.742 120.200 0.082 0.000 2.106 227 E HA -0.213 4.136 4.350 -0.000 0.000 0.192 227 E C 1.763 178.449 176.600 0.144 0.000 0.984 227 E CA 1.107 57.549 56.400 0.070 0.000 0.806 227 E CB -0.247 29.485 29.700 0.055 0.000 0.750 227 E HN 0.534 nan 8.360 nan 0.000 0.458 228 W N 0.509 121.819 121.300 0.017 0.000 2.355 228 W HA -0.229 4.431 4.660 -0.000 0.000 0.309 228 W C 1.900 178.454 176.519 0.058 0.000 1.206 228 W CA 1.789 59.153 57.345 0.033 0.000 1.284 228 W CB -0.560 28.931 29.460 0.050 0.000 1.145 228 W HN 0.170 nan 8.180 nan 0.000 0.502 229 F N 1.001 121.056 119.950 0.176 0.000 2.075 229 F HA -0.201 4.325 4.527 -0.000 0.000 0.297 229 F C 2.076 177.743 175.800 -0.222 0.000 1.113 229 F CA 2.296 60.262 58.000 -0.056 0.000 1.218 229 F CB -0.852 38.324 39.000 0.293 0.000 0.984 229 F HN -0.161 nan 8.300 nan 0.000 0.472 230 L N 0.089 121.200 121.223 -0.187 0.000 2.187 230 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 230 L C 2.454 179.110 176.870 -0.356 0.000 1.100 230 L CA 1.314 55.952 54.840 -0.337 0.000 0.765 230 L CB -0.715 41.259 42.059 -0.141 0.000 0.904 230 L HN 0.280 nan 8.230 nan 0.000 0.437 231 Q N 0.068 119.693 119.800 -0.292 0.000 2.124 231 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 231 Q C 2.119 177.921 176.000 -0.330 0.000 0.977 231 Q CA 2.019 57.668 55.803 -0.255 0.000 0.850 231 Q CB -0.085 28.535 28.738 -0.197 0.000 0.901 231 Q HN 0.469 nan 8.270 nan 0.000 0.429 232 A N -0.965 121.564 122.820 -0.485 0.000 2.030 232 A HA 0.354 4.674 4.320 -0.000 0.000 0.215 232 A C 2.000 179.281 177.584 -0.505 0.000 1.164 232 A CA 0.993 52.761 52.037 -0.448 0.000 0.697 232 A CB -0.355 18.344 19.000 -0.501 0.000 0.827 232 A HN 0.407 nan 8.150 nan 0.000 0.457 233 A N -0.632 121.664 122.820 -0.874 0.000 1.956 233 A HA 0.239 4.559 4.320 -0.000 0.000 0.212 233 A C 1.156 178.398 177.584 -0.570 0.000 1.188 233 A CA 0.910 52.275 52.037 -1.120 0.000 0.675 233 A CB -0.211 17.614 19.000 -1.957 0.000 0.845 233 A HN 0.379 nan 8.150 nan 0.000 0.455 234 K N -0.130 120.014 120.400 -0.427 0.000 3.035 234 K HA -0.210 4.110 4.320 -0.000 0.000 0.262 234 K C -0.868 175.623 176.600 -0.181 0.000 1.024 234 K CA 1.037 57.179 56.287 -0.242 0.000 0.748 234 K CB -1.481 30.913 32.500 -0.177 0.000 1.247 234 K HN 0.601 nan 8.250 nan 0.000 0.482 235 D N -1.419 118.865 120.400 -0.194 0.000 2.452 235 D HA 0.211 4.851 4.640 -0.000 0.000 0.226 235 D C -2.124 174.141 176.300 -0.058 0.000 1.366 235 D CA -1.841 52.097 54.000 -0.103 0.000 0.986 235 D CB 1.605 42.360 40.800 -0.076 0.000 1.420 235 D HN -0.286 nan 8.370 nan 0.000 0.583 236 P HA -0.188 nan 4.420 nan 0.000 0.217 236 P C 1.396 178.715 177.300 0.031 0.000 1.151 236 P CA 1.582 64.669 63.100 -0.021 0.000 0.849 236 P CB 0.168 31.843 31.700 -0.042 0.000 0.787 237 S N -0.862 114.860 115.700 0.037 0.000 2.469 237 S HA -0.083 4.387 4.470 -0.000 0.000 0.238 237 S C 1.939 176.624 174.600 0.142 0.000 0.998 237 S CA 0.996 59.236 58.200 0.068 0.000 0.957 237 S CB -1.148 62.081 63.200 0.048 0.000 0.764 237 S HN 0.145 nan 8.310 nan 0.000 0.514 238 A N 1.131 124.068 122.820 0.194 0.000 2.066 238 A HA 0.202 4.522 4.320 -0.000 0.000 0.218 238 A C 2.208 180.091 177.584 0.499 0.000 1.157 238 A CA 1.019 53.282 52.037 0.377 0.000 0.670 238 A CB -0.815 18.376 19.000 0.318 0.000 0.804 238 A HN 0.466 nan 8.150 nan 0.000 0.453 239 V N -0.101 120.024 119.914 0.351 0.000 2.568 239 V HA -0.295 3.825 4.120 -0.000 0.000 0.253 239 V C 2.918 179.184 176.094 0.287 0.000 1.072 239 V CA 1.806 64.233 62.300 0.212 0.000 1.084 239 V CB -1.055 30.761 31.823 -0.010 0.000 0.676 239 V HN 0.609 nan 8.190 nan 0.000 0.469 240 A N -0.415 122.555 122.820 0.251 0.000 2.067 240 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 240 A C 2.186 179.982 177.584 0.354 0.000 1.158 240 A CA 1.348 53.539 52.037 0.256 0.000 0.661 240 A CB -0.263 18.838 19.000 0.169 0.000 0.801 240 A HN 0.595 nan 8.150 nan 0.000 0.452 241 K N -1.496 119.108 120.400 0.341 0.000 2.379 241 K HA 0.114 4.433 4.320 -0.000 0.000 0.194 241 K C 0.558 177.288 176.600 0.216 0.000 1.031 241 K CA 0.531 56.991 56.287 0.288 0.000 1.037 241 K CB 0.152 32.700 32.500 0.080 0.000 0.824 241 K HN 0.591 nan 8.250 nan 0.000 0.516 242 H N -1.391 117.888 119.070 0.348 0.000 3.233 242 H HA 0.202 4.758 4.556 -0.000 0.000 0.263 242 H C -0.671 174.623 175.328 -0.057 0.000 1.168 242 H CA -0.059 56.069 56.048 0.133 0.000 1.159 242 H CB 0.701 30.325 29.762 -0.230 0.000 1.593 242 H HN -0.046 nan 8.280 nan 0.000 0.580 243 F N 1.973 122.055 119.950 0.219 0.000 2.518 243 F HA 0.362 4.889 4.527 -0.000 0.000 0.323 243 F C 0.177 176.093 175.800 0.193 0.000 1.129 243 F CA -1.146 56.988 58.000 0.223 0.000 0.920 243 F CB 2.004 41.125 39.000 0.202 0.000 1.160 243 F HN -0.227 nan 8.300 nan 0.000 0.440 244 V N 0.345 120.411 119.914 0.253 0.000 3.074 244 V HA 1.026 5.146 4.120 -0.000 0.000 0.314 244 V C -0.913 175.300 176.094 0.199 0.000 1.117 244 V CA -1.091 61.313 62.300 0.173 0.000 1.014 244 V CB 1.597 33.425 31.823 0.009 0.000 1.057 244 V HN 0.904 nan 8.190 nan 0.000 0.438 245 A N 2.593 125.524 122.820 0.184 0.000 2.414 245 A HA 0.898 5.218 4.320 -0.000 0.000 0.306 245 A C -0.997 176.694 177.584 0.179 0.000 1.054 245 A CA -0.762 51.380 52.037 0.175 0.000 0.724 245 A CB 1.525 20.538 19.000 0.021 0.000 1.267 245 A HN 1.085 nan 8.150 nan 0.000 0.418 246 L N 1.956 123.294 121.223 0.190 0.000 2.318 246 L HA 0.740 5.080 4.340 -0.000 0.000 0.277 246 L C 0.091 177.172 176.870 0.351 0.000 1.008 246 L CA -0.248 54.731 54.840 0.231 0.000 0.846 246 L CB 1.130 43.258 42.059 0.115 0.000 1.220 246 L HN 0.674 nan 8.230 nan 0.000 0.423 247 S N 0.198 116.003 115.700 0.175 0.000 2.636 247 S HA 0.440 4.910 4.470 -0.000 0.000 0.268 247 S C 0.385 174.659 174.600 -0.543 0.000 1.159 247 S CA 0.241 58.369 58.200 -0.120 0.000 0.815 247 S CB 1.821 64.979 63.200 -0.070 0.000 1.130 247 S HN 0.690 nan 8.310 nan 0.000 0.471 248 T N -0.551 113.607 114.554 -0.660 0.000 3.023 248 T HA 0.314 4.664 4.350 -0.000 0.000 0.253 248 T C 0.243 174.742 174.700 -0.335 0.000 1.038 248 T CA 0.016 61.755 62.100 -0.601 0.000 0.962 248 T CB -0.275 68.193 68.868 -0.666 0.000 1.018 248 T HN 0.318 nan 8.240 nan 0.000 0.521 249 N N 1.880 120.425 118.700 -0.258 0.000 2.949 249 N HA 0.265 5.005 4.740 -0.000 0.000 0.243 249 N C 0.840 176.227 175.510 -0.205 0.000 1.113 249 N CA -0.052 52.899 53.050 -0.165 0.000 0.980 249 N CB 0.719 39.168 38.487 -0.064 0.000 1.256 249 N HN 0.183 nan 8.380 nan 0.000 0.508 250 T N -0.003 114.437 114.554 -0.189 0.000 2.737 250 T HA -0.136 4.214 4.350 -0.000 0.000 0.269 250 T C 1.570 176.183 174.700 -0.146 0.000 1.040 250 T CA 1.752 63.743 62.100 -0.182 0.000 1.142 250 T CB 0.034 68.823 68.868 -0.131 0.000 0.861 250 T HN 0.422 nan 8.240 nan 0.000 0.456 251 T N 2.095 116.592 114.554 -0.095 0.000 2.643 251 T HA -0.078 4.272 4.350 -0.000 0.000 0.264 251 T C 2.099 176.779 174.700 -0.032 0.000 1.045 251 T CA 0.871 62.941 62.100 -0.051 0.000 1.155 251 T CB -0.141 68.712 68.868 -0.024 0.000 0.863 251 T HN 0.244 nan 8.240 nan 0.000 0.420 252 K N 0.963 121.356 120.400 -0.011 0.000 2.152 252 K HA -0.006 4.313 4.320 -0.000 0.000 0.206 252 K C 2.319 178.941 176.600 0.036 0.000 1.048 252 K CA 0.640 56.982 56.287 0.092 0.000 0.933 252 K CB -0.921 31.703 32.500 0.207 0.000 0.721 252 K HN 0.239 nan 8.250 nan 0.000 0.447 253 V N 1.630 121.345 119.914 -0.332 0.000 2.295 253 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 253 V C 2.315 178.341 176.094 -0.114 0.000 1.049 253 V CA 1.704 63.664 62.300 -0.567 0.000 1.024 253 V CB -0.318 31.090 31.823 -0.692 0.000 0.648 253 V HN 0.335 nan 8.190 nan 0.000 0.447 254 K N -0.297 120.055 120.400 -0.081 0.000 2.057 254 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 254 K C 2.123 178.737 176.600 0.024 0.000 1.049 254 K CA 1.716 57.989 56.287 -0.023 0.000 0.931 254 K CB -0.193 32.286 32.500 -0.034 0.000 0.714 254 K HN 0.542 nan 8.250 nan 0.000 0.440 255 E N -0.181 120.053 120.200 0.055 0.000 2.204 255 E HA -0.177 4.172 4.350 -0.000 0.000 0.195 255 E C 1.595 178.270 176.600 0.126 0.000 0.990 255 E CA 0.759 57.205 56.400 0.076 0.000 0.821 255 E CB -0.069 29.683 29.700 0.087 0.000 0.750 255 E HN 0.281 nan 8.360 nan 0.000 0.477 256 F N -0.033 119.960 119.950 0.072 0.000 2.558 256 F HA 0.072 4.599 4.527 -0.000 0.000 0.298 256 F C 1.316 177.129 175.800 0.022 0.000 1.119 256 F CA 1.120 59.181 58.000 0.101 0.000 1.451 256 F CB 0.532 39.719 39.000 0.311 0.000 1.091 256 F HN 0.059 nan 8.300 nan 0.000 0.563 257 G N 1.383 110.131 108.800 -0.086 0.000 2.148 257 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.203 257 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.203 257 G C 0.049 174.903 174.900 -0.077 0.000 0.993 257 G CA -0.023 44.971 45.100 -0.176 0.000 0.661 257 G HN 0.317 nan 8.290 nan 0.000 0.518 258 I N 1.408 122.016 120.570 0.063 0.000 2.353 258 I HA 0.261 4.431 4.170 -0.000 0.000 0.293 258 I C 0.298 176.442 176.117 0.045 0.000 0.992 258 I CA -0.787 60.579 61.300 0.110 0.000 1.268 258 I CB 1.154 39.287 38.000 0.222 0.000 1.387 258 I HN 0.042 nan 8.210 nan 0.000 0.478 259 D N 9.262 129.696 120.400 0.057 0.000 2.487 259 D HA -0.005 4.635 4.640 -0.000 0.000 0.243 259 D C -1.358 174.934 176.300 -0.013 0.000 1.154 259 D CA -1.618 52.399 54.000 0.029 0.000 0.876 259 D CB 1.187 42.025 40.800 0.063 0.000 1.161 259 D HN 0.265 nan 8.370 nan 0.000 0.478 260 P HA -0.180 nan 4.420 nan 0.000 0.221 260 P C 0.943 178.182 177.300 -0.101 0.000 1.145 260 P CA 1.071 64.126 63.100 -0.075 0.000 0.795 260 P CB 0.332 31.996 31.700 -0.060 0.000 0.775 261 Q N -0.934 118.823 119.800 -0.072 0.000 2.435 261 Q HA -0.002 4.338 4.340 -0.000 0.000 0.207 261 Q C 0.748 176.645 176.000 -0.171 0.000 0.956 261 Q CA 0.484 56.228 55.803 -0.098 0.000 0.917 261 Q CB -0.232 28.494 28.738 -0.021 0.000 0.997 261 Q HN 0.224 nan 8.270 nan 0.000 0.497 262 N N -0.229 118.396 118.700 -0.125 0.000 2.279 262 N HA 0.127 4.867 4.740 -0.000 0.000 0.226 262 N C -0.712 174.683 175.510 -0.193 0.000 1.126 262 N CA 0.153 53.118 53.050 -0.141 0.000 0.846 262 N CB 0.474 38.998 38.487 0.062 0.000 1.050 262 N HN 0.214 nan 8.380 nan 0.000 0.502 263 M N 0.574 119.993 119.600 -0.300 0.000 2.238 263 M HA 0.387 4.867 4.480 -0.000 0.000 0.350 263 M C -1.386 174.676 176.300 -0.398 0.000 1.138 263 M CA -0.572 54.594 55.300 -0.223 0.000 1.040 263 M CB 0.771 33.253 32.600 -0.196 0.000 1.639 263 M HN -0.172 nan 8.290 nan 0.000 0.451 264 F N 2.992 122.856 119.950 -0.143 0.000 2.426 264 F HA 0.421 4.948 4.527 -0.000 0.000 0.348 264 F C 0.097 175.835 175.800 -0.102 0.000 1.124 264 F CA -0.666 57.264 58.000 -0.117 0.000 1.008 264 F CB 1.160 40.085 39.000 -0.125 0.000 1.139 264 F HN 0.519 nan 8.300 nan 0.000 0.452 265 E N 3.700 123.870 120.200 -0.050 0.000 2.313 265 E HA 0.556 4.906 4.350 -0.000 0.000 0.272 265 E C -0.834 175.419 176.600 -0.577 0.000 1.038 265 E CA -0.489 55.729 56.400 -0.302 0.000 0.863 265 E CB 1.553 31.031 29.700 -0.369 0.000 1.060 265 E HN 0.544 nan 8.360 nan 0.000 0.402 266 F N -1.122 118.162 119.950 -1.110 0.000 2.894 266 F HA 0.703 5.230 4.527 -0.000 0.000 0.332 266 F C -1.055 173.788 175.800 -1.595 0.000 1.192 266 F CA -1.125 55.888 58.000 -1.646 0.000 0.980 266 F CB 1.322 39.941 39.000 -0.635 0.000 1.448 266 F HN 0.317 nan 8.300 nan 0.000 0.514 267 W N 0.787 121.811 121.300 -0.460 0.000 2.975 267 W HA 0.200 4.860 4.660 -0.000 0.000 0.342 267 W C -0.026 176.096 176.519 -0.662 0.000 1.168 267 W CA -0.397 56.489 57.345 -0.765 0.000 1.141 267 W CB 1.327 30.000 29.460 -1.313 0.000 1.445 267 W HN 0.734 nan 8.180 nan 0.000 0.560 268 D N -0.594 119.648 120.400 -0.263 0.000 2.271 268 D HA -0.236 4.404 4.640 -0.000 0.000 0.207 268 D C 1.416 177.746 176.300 0.051 0.000 0.983 268 D CA 1.413 55.362 54.000 -0.084 0.000 0.878 268 D CB -0.552 40.255 40.800 0.011 0.000 0.920 268 D HN 0.517 nan 8.370 nan 0.000 0.479 269 W N 0.389 121.815 121.300 0.209 0.000 3.292 269 W HA 0.381 5.040 4.660 -0.000 0.000 0.263 269 W C -0.684 175.963 176.519 0.213 0.000 1.318 269 W CA -0.673 56.761 57.345 0.148 0.000 1.663 269 W CB -0.402 29.097 29.460 0.065 0.000 1.114 269 W HN -0.244 nan 8.180 nan 0.000 0.706 270 V N 2.446 122.557 119.914 0.328 0.000 2.311 270 V HA 0.475 4.595 4.120 -0.000 0.000 0.275 270 V C 0.878 177.203 176.094 0.385 0.000 1.022 270 V CA -0.617 61.943 62.300 0.433 0.000 0.830 270 V CB 0.470 32.560 31.823 0.445 0.000 1.012 270 V HN 0.138 nan 8.190 nan 0.000 0.452 271 G N 3.123 112.183 108.800 0.432 0.000 2.432 271 G HA2 0.419 4.379 3.960 -0.000 0.000 0.257 271 G HA3 0.419 4.379 3.960 -0.000 0.000 0.257 271 G C 1.097 176.169 174.900 0.286 0.000 1.238 271 G CA 0.207 45.540 45.100 0.387 0.000 0.838 271 G HN 0.879 nan 8.290 nan 0.000 0.547 272 G N 2.005 110.902 108.800 0.161 0.000 2.476 272 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 272 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 272 G C 1.692 176.559 174.900 -0.055 0.000 1.164 272 G CA 0.954 46.088 45.100 0.057 0.000 0.768 272 G HN 0.788 nan 8.290 nan 0.000 0.560 273 R N -0.846 119.563 120.500 -0.152 0.000 2.339 273 R HA 0.109 4.449 4.340 -0.000 0.000 0.199 273 R C 0.476 176.407 176.300 -0.615 0.000 1.018 273 R CA 0.670 56.510 56.100 -0.434 0.000 1.036 273 R CB -0.319 29.649 30.300 -0.553 0.000 0.899 273 R HN 0.475 nan 8.270 nan 0.000 0.473 274 Y N 0.481 120.777 120.300 -0.006 0.000 2.719 274 Y HA 0.203 4.753 4.550 -0.000 0.000 0.251 274 Y C 1.387 177.385 175.900 0.163 0.000 1.159 274 Y CA -0.312 57.813 58.100 0.042 0.000 1.166 274 Y CB 1.206 39.560 38.460 -0.177 0.000 1.219 274 Y HN 0.196 nan 8.280 nan 0.000 0.551 275 S N -0.602 115.155 115.700 0.094 0.000 2.503 275 S HA -0.060 4.410 4.470 -0.000 0.000 0.215 275 S C 1.755 176.275 174.600 -0.133 0.000 1.003 275 S CA 0.266 58.473 58.200 0.012 0.000 0.910 275 S CB -0.549 62.571 63.200 -0.135 0.000 0.790 275 S HN 0.467 nan 8.310 nan 0.000 0.514 276 L N -0.943 120.101 121.223 -0.297 0.000 2.263 276 L HA 0.153 4.493 4.340 -0.000 0.000 0.216 276 L C 1.811 178.526 176.870 -0.257 0.000 1.111 276 L CA 1.130 55.730 54.840 -0.401 0.000 0.773 276 L CB -1.614 40.075 42.059 -0.618 0.000 0.906 276 L HN 0.396 nan 8.230 nan 0.000 0.439 277 W N 0.723 122.090 121.300 0.111 0.000 2.937 277 W HA 0.239 4.899 4.660 -0.000 0.000 0.245 277 W C 1.814 178.484 176.519 0.251 0.000 1.306 277 W CA 0.288 57.732 57.345 0.164 0.000 1.470 277 W CB -0.750 28.774 29.460 0.106 0.000 1.132 277 W HN 0.366 nan 8.180 nan 0.000 0.675 278 S N 0.401 116.289 115.700 0.313 0.000 2.521 278 S HA 0.636 5.106 4.470 -0.000 0.000 0.278 278 S C 1.657 176.312 174.600 0.093 0.000 1.140 278 S CA -0.077 58.256 58.200 0.222 0.000 1.028 278 S CB 0.262 63.456 63.200 -0.009 0.000 1.203 278 S HN 0.015 nan 8.310 nan 0.000 0.491 279 A N 0.216 123.021 122.820 -0.025 0.000 2.024 279 A HA -0.000 4.320 4.320 -0.000 0.000 0.220 279 A C 2.052 179.492 177.584 -0.240 0.000 1.164 279 A CA 1.172 53.165 52.037 -0.074 0.000 0.643 279 A CB -1.146 17.882 19.000 0.047 0.000 0.806 279 A HN 0.700 nan 8.150 nan 0.000 0.451 280 I N 0.038 120.369 120.570 -0.398 0.000 2.399 280 I HA -0.217 3.953 4.170 -0.000 0.000 0.254 280 I C 2.317 178.281 176.117 -0.254 0.000 1.146 280 I CA 1.516 62.599 61.300 -0.362 0.000 1.412 280 I CB -1.619 36.093 38.000 -0.480 0.000 1.076 280 I HN 0.384 nan 8.210 nan 0.000 0.432 281 G N 0.074 108.735 108.800 -0.231 0.000 2.920 281 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.208 281 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.208 281 G C 1.609 176.223 174.900 -0.477 0.000 1.159 281 G CA -0.170 44.761 45.100 -0.282 0.000 0.784 281 G HN 0.258 nan 8.290 nan 0.000 0.535 282 L N 2.209 123.187 121.223 -0.408 0.000 2.051 282 L HA -0.216 4.124 4.340 -0.000 0.000 0.214 282 L C 3.100 179.786 176.870 -0.308 0.000 1.076 282 L CA 2.629 57.217 54.840 -0.420 0.000 0.758 282 L CB -0.560 41.195 42.059 -0.506 0.000 0.890 282 L HN 0.338 nan 8.230 nan 0.000 0.433 283 S N -1.406 114.161 115.700 -0.221 0.000 2.419 283 S HA -0.164 4.306 4.470 -0.000 0.000 0.233 283 S C 2.000 176.551 174.600 -0.082 0.000 1.016 283 S CA 1.403 59.522 58.200 -0.135 0.000 0.974 283 S CB -0.898 62.251 63.200 -0.085 0.000 0.786 283 S HN 0.535 nan 8.310 nan 0.000 0.492 284 I N 2.062 122.548 120.570 -0.140 0.000 2.193 284 I HA -0.068 4.102 4.170 -0.000 0.000 0.240 284 I C 3.097 179.160 176.117 -0.091 0.000 1.084 284 I CA 1.091 62.343 61.300 -0.080 0.000 1.365 284 I CB -0.702 37.240 38.000 -0.096 0.000 1.064 284 I HN 0.410 nan 8.210 nan 0.000 0.410 285 A N 0.912 123.549 122.820 -0.306 0.000 1.972 285 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 285 A C 2.282 179.854 177.584 -0.020 0.000 1.169 285 A CA 1.411 53.354 52.037 -0.157 0.000 0.635 285 A CB -0.852 18.009 19.000 -0.233 0.000 0.810 285 A HN 0.391 nan 8.150 nan 0.000 0.446 286 L N -1.837 119.355 121.223 -0.052 0.000 2.093 286 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 286 L C 2.641 179.535 176.870 0.040 0.000 1.085 286 L CA 1.593 56.417 54.840 -0.028 0.000 0.755 286 L CB -0.577 41.441 42.059 -0.068 0.000 0.904 286 L HN 0.598 nan 8.230 nan 0.000 0.435 287 H N -0.443 118.593 119.070 -0.057 0.000 2.372 287 H HA -0.044 4.512 4.556 -0.000 0.000 0.301 287 H C 1.788 177.114 175.328 -0.003 0.000 1.065 287 H CA 1.806 57.833 56.048 -0.034 0.000 1.364 287 H CB 0.681 30.426 29.762 -0.027 0.000 1.406 287 H HN 0.275 nan 8.280 nan 0.000 0.521 288 V N -2.782 117.136 119.914 0.007 0.000 3.528 288 V HA 0.472 4.592 4.120 -0.000 0.000 0.294 288 V C 0.640 176.754 176.094 0.033 0.000 1.404 288 V CA 0.342 62.632 62.300 -0.018 0.000 1.065 288 V CB 0.381 32.227 31.823 0.038 0.000 0.904 288 V HN 0.561 nan 8.190 nan 0.000 0.435 289 G N 0.128 108.959 108.800 0.053 0.000 2.719 289 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.686 289 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.686 289 G C -0.403 174.595 174.900 0.165 0.000 1.201 289 G CA -0.048 45.111 45.100 0.099 0.000 0.768 289 G HN 0.411 nan 8.290 nan 0.000 0.629 290 F N 0.938 120.936 119.950 0.079 0.000 2.216 290 F HA -0.002 4.525 4.527 -0.000 0.000 0.300 290 F C 2.226 178.130 175.800 0.173 0.000 1.085 290 F CA 2.365 60.458 58.000 0.155 0.000 1.326 290 F CB 0.139 39.216 39.000 0.129 0.000 1.027 290 F HN 0.515 nan 8.300 nan 0.000 0.497 291 D N -0.064 120.437 120.400 0.168 0.000 2.097 291 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 291 D C 1.850 178.134 176.300 -0.025 0.000 0.989 291 D CA 1.633 55.673 54.000 0.067 0.000 0.827 291 D CB -0.716 40.137 40.800 0.087 0.000 0.966 291 D HN 0.399 nan 8.370 nan 0.000 0.456 292 N N -0.649 118.051 118.700 -0.000 0.000 2.244 292 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 292 N C 1.482 176.962 175.510 -0.051 0.000 1.016 292 N CA 0.242 53.262 53.050 -0.050 0.000 0.866 292 N CB -0.094 38.367 38.487 -0.044 0.000 0.980 292 N HN 0.016 nan 8.380 nan 0.000 0.430 293 F N 2.182 122.003 119.950 -0.214 0.000 2.146 293 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 293 F C 2.039 177.658 175.800 -0.302 0.000 1.096 293 F CA 1.293 59.136 58.000 -0.262 0.000 1.275 293 F CB -0.166 38.633 39.000 -0.335 0.000 1.008 293 F HN 0.019 nan 8.300 nan 0.000 0.480 294 E N -0.409 119.508 120.200 -0.473 0.000 2.085 294 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 294 E C 2.198 178.648 176.600 -0.251 0.000 0.994 294 E CA 1.238 57.388 56.400 -0.417 0.000 0.801 294 E CB -0.178 29.365 29.700 -0.261 0.000 0.743 294 E HN 0.456 nan 8.360 nan 0.000 0.453 295 Q N 0.409 120.109 119.800 -0.168 0.000 2.084 295 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 295 Q C 2.401 178.334 176.000 -0.112 0.000 0.978 295 Q CA 0.820 56.580 55.803 -0.073 0.000 0.844 295 Q CB -0.475 28.227 28.738 -0.060 0.000 0.898 295 Q HN 0.253 nan 8.270 nan 0.000 0.426 296 L N 0.708 121.823 121.223 -0.181 0.000 2.013 296 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 296 L C 2.197 178.997 176.870 -0.116 0.000 1.073 296 L CA 1.615 56.366 54.840 -0.148 0.000 0.753 296 L CB -0.649 41.316 42.059 -0.156 0.000 0.890 296 L HN 0.161 nan 8.230 nan 0.000 0.432 297 L N -1.437 119.633 121.223 -0.255 0.000 2.046 297 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 297 L C 2.487 179.268 176.870 -0.148 0.000 1.077 297 L CA 1.374 56.098 54.840 -0.194 0.000 0.747 297 L CB -0.738 41.153 42.059 -0.279 0.000 0.896 297 L HN 0.236 nan 8.230 nan 0.000 0.432 298 S N 0.061 115.691 115.700 -0.118 0.000 2.382 298 S HA -0.113 4.357 4.470 -0.000 0.000 0.228 298 S C 2.033 176.512 174.600 -0.203 0.000 1.027 298 S CA 1.188 59.394 58.200 0.010 0.000 0.991 298 S CB -0.514 62.799 63.200 0.189 0.000 0.823 298 S HN 0.612 nan 8.310 nan 0.000 0.469 299 G N 1.401 109.764 108.800 -0.728 0.000 2.421 299 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.216 299 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.216 299 G C 1.581 176.250 174.900 -0.385 0.000 1.171 299 G CA 0.905 45.264 45.100 -1.236 0.000 0.775 299 G HN 0.567 nan 8.290 nan 0.000 0.543 300 A N 0.541 123.203 122.820 -0.263 0.000 1.883 300 A HA -0.150 4.169 4.320 -0.000 0.000 0.217 300 A C 2.135 179.658 177.584 -0.102 0.000 1.186 300 A CA 2.168 54.047 52.037 -0.263 0.000 0.624 300 A CB -0.945 17.566 19.000 -0.815 0.000 0.822 300 A HN 0.530 nan 8.150 nan 0.000 0.444 301 H N -2.300 116.679 119.070 -0.152 0.000 2.422 301 H HA -0.217 4.339 4.556 -0.000 0.000 0.298 301 H C 1.716 177.080 175.328 0.059 0.000 1.098 301 H CA 2.111 58.136 56.048 -0.038 0.000 1.315 301 H CB -0.388 29.361 29.762 -0.022 0.000 1.382 301 H HN 0.707 nan 8.280 nan 0.000 0.523 302 W N 0.188 121.433 121.300 -0.092 0.000 2.354 302 W HA -0.234 4.426 4.660 -0.000 0.000 0.315 302 W C 2.382 178.889 176.519 -0.020 0.000 1.206 302 W CA 1.776 59.098 57.345 -0.039 0.000 1.290 302 W CB -0.387 29.134 29.460 0.102 0.000 1.152 302 W HN 0.280 nan 8.180 nan 0.000 0.489 303 M N 1.110 120.890 119.600 0.301 0.000 2.213 303 M HA -0.188 4.291 4.480 -0.000 0.000 0.263 303 M C 1.340 177.728 176.300 0.146 0.000 1.062 303 M CA 2.007 57.453 55.300 0.242 0.000 1.105 303 M CB -0.767 32.008 32.600 0.292 0.000 1.385 303 M HN -0.089 nan 8.290 nan 0.000 0.417 304 D N -0.391 120.074 120.400 0.108 0.000 2.097 304 D HA -0.173 4.466 4.640 -0.000 0.000 0.195 304 D C 1.985 178.259 176.300 -0.043 0.000 0.989 304 D CA 1.190 55.318 54.000 0.212 0.000 0.827 304 D CB -0.282 40.649 40.800 0.219 0.000 0.966 304 D HN 0.389 nan 8.370 nan 0.000 0.456 305 Q N -0.175 119.444 119.800 -0.302 0.000 2.079 305 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 305 Q C 2.070 177.816 176.000 -0.423 0.000 0.974 305 Q CA 1.119 56.668 55.803 -0.423 0.000 0.840 305 Q CB -0.878 27.550 28.738 -0.516 0.000 0.898 305 Q HN 0.577 nan 8.270 nan 0.000 0.430 306 H N 0.161 118.887 119.070 -0.573 0.000 2.267 306 H HA -0.178 4.378 4.556 -0.000 0.000 0.297 306 H C 1.706 176.915 175.328 -0.200 0.000 1.080 306 H CA 1.953 57.718 56.048 -0.471 0.000 1.278 306 H CB -0.511 28.930 29.762 -0.536 0.000 1.365 306 H HN 0.192 nan 8.280 nan 0.000 0.489 307 F N 1.454 121.231 119.950 -0.288 0.000 2.147 307 F HA -0.193 4.334 4.527 -0.000 0.000 0.301 307 F C 2.592 178.146 175.800 -0.411 0.000 1.084 307 F CA 1.961 59.780 58.000 -0.302 0.000 1.268 307 F CB -0.538 38.290 39.000 -0.286 0.000 1.009 307 F HN 0.134 nan 8.300 nan 0.000 0.486 308 R N -0.811 119.347 120.500 -0.571 0.000 2.119 308 R HA -0.064 4.276 4.340 -0.000 0.000 0.222 308 R C 1.745 177.708 176.300 -0.562 0.000 1.088 308 R CA 1.700 57.340 56.100 -0.765 0.000 0.984 308 R CB -0.246 29.554 30.300 -0.833 0.000 0.884 308 R HN 0.474 nan 8.270 nan 0.000 0.447 309 T N -3.732 110.546 114.554 -0.459 0.000 3.044 309 T HA 0.165 4.515 4.350 -0.000 0.000 0.260 309 T C 0.360 174.869 174.700 -0.318 0.000 1.019 309 T CA -0.310 61.576 62.100 -0.356 0.000 0.921 309 T CB 0.705 69.392 68.868 -0.302 0.000 1.053 309 T HN -0.166 nan 8.240 nan 0.000 0.533 310 T N 4.873 119.196 114.554 -0.384 0.000 2.767 310 T HA 0.479 4.829 4.350 -0.000 0.000 0.288 310 T C -2.714 171.838 174.700 -0.248 0.000 0.963 310 T CA -1.156 60.746 62.100 -0.330 0.000 1.019 310 T CB 1.224 69.777 68.868 -0.525 0.000 0.923 310 T HN 0.099 nan 8.240 nan 0.000 0.468 311 P HA 0.067 nan 4.420 nan 0.000 0.263 311 P C 1.134 178.359 177.300 -0.126 0.000 1.175 311 P CA 0.007 63.022 63.100 -0.141 0.000 0.761 311 P CB 0.440 32.075 31.700 -0.108 0.000 0.794 312 L N 2.457 123.610 121.223 -0.117 0.000 2.064 312 L HA -0.262 4.078 4.340 -0.000 0.000 0.216 312 L C 2.289 179.117 176.870 -0.070 0.000 1.077 312 L CA 1.886 56.673 54.840 -0.088 0.000 0.766 312 L CB -0.844 41.165 42.059 -0.082 0.000 0.890 312 L HN 0.546 nan 8.230 nan 0.000 0.435 313 E N -0.195 119.961 120.200 -0.072 0.000 2.409 313 E HA -0.200 4.149 4.350 -0.000 0.000 0.198 313 E C 1.041 177.618 176.600 -0.038 0.000 1.024 313 E CA 0.993 57.355 56.400 -0.062 0.000 0.861 313 E CB -0.025 29.634 29.700 -0.068 0.000 0.788 313 E HN 0.328 nan 8.360 nan 0.000 0.521 314 K N 0.849 121.229 120.400 -0.033 0.000 2.469 314 K HA 0.159 4.479 4.320 -0.000 0.000 0.204 314 K C -0.051 176.579 176.600 0.050 0.000 1.047 314 K CA -0.296 55.999 56.287 0.015 0.000 1.072 314 K CB 0.244 32.749 32.500 0.009 0.000 0.863 314 K HN 0.008 nan 8.250 nan 0.000 0.530 315 N N 1.331 120.036 118.700 0.007 0.000 2.406 315 N HA 0.141 4.881 4.740 -0.000 0.000 0.251 315 N C 0.838 176.451 175.510 0.171 0.000 1.069 315 N CA 0.210 53.284 53.050 0.040 0.000 0.947 315 N CB 1.469 39.933 38.487 -0.038 0.000 1.111 315 N HN 0.050 nan 8.380 nan 0.000 0.497 316 A N 7.102 130.160 122.820 0.396 0.000 1.869 316 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 316 A C -0.576 177.041 177.584 0.055 0.000 1.203 316 A CA 1.487 53.634 52.037 0.183 0.000 0.638 316 A CB -1.416 17.668 19.000 0.140 0.000 0.831 316 A HN 0.630 nan 8.150 nan 0.000 0.450 317 P HA -0.114 nan 4.420 nan 0.000 0.215 317 P C 1.708 178.991 177.300 -0.028 0.000 1.157 317 P CA 1.650 64.723 63.100 -0.044 0.000 0.868 317 P CB -0.387 31.235 31.700 -0.130 0.000 0.788 318 V N 0.109 120.057 119.914 0.056 0.000 2.287 318 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 318 V C 2.739 178.802 176.094 -0.051 0.000 1.053 318 V CA 1.679 64.004 62.300 0.042 0.000 1.027 318 V CB -1.309 30.561 31.823 0.079 0.000 0.646 318 V HN 0.039 nan 8.190 nan 0.000 0.447 319 L N -0.918 120.252 121.223 -0.088 0.000 2.017 319 L HA -0.174 4.165 4.340 -0.000 0.000 0.208 319 L C 2.454 179.217 176.870 -0.178 0.000 1.073 319 L CA 1.571 56.292 54.840 -0.198 0.000 0.745 319 L CB -0.535 41.310 42.059 -0.357 0.000 0.894 319 L HN 0.311 nan 8.230 nan 0.000 0.432 320 L N -0.329 120.815 121.223 -0.131 0.000 2.079 320 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 320 L C 2.843 179.684 176.870 -0.047 0.000 1.081 320 L CA 1.227 56.024 54.840 -0.071 0.000 0.752 320 L CB -0.697 41.301 42.059 -0.100 0.000 0.896 320 L HN 0.260 nan 8.230 nan 0.000 0.433 321 A N -0.009 122.765 122.820 -0.078 0.000 1.898 321 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 321 A C 2.219 179.741 177.584 -0.102 0.000 1.181 321 A CA 1.277 53.255 52.037 -0.098 0.000 0.620 321 A CB -0.570 18.363 19.000 -0.112 0.000 0.819 321 A HN 0.362 nan 8.150 nan 0.000 0.442 322 L N -0.756 120.413 121.223 -0.091 0.000 2.109 322 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 322 L C 2.445 179.313 176.870 -0.004 0.000 1.086 322 L CA 0.695 55.491 54.840 -0.073 0.000 0.760 322 L CB -0.478 41.520 42.059 -0.103 0.000 0.910 322 L HN 0.333 nan 8.230 nan 0.000 0.437 323 L N -0.390 120.833 121.223 -0.000 0.000 2.083 323 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 323 L C 2.621 179.613 176.870 0.203 0.000 1.083 323 L CA 1.377 56.260 54.840 0.073 0.000 0.752 323 L CB -0.973 41.166 42.059 0.133 0.000 0.899 323 L HN 0.319 nan 8.230 nan 0.000 0.433 324 G N -0.133 108.795 108.800 0.212 0.000 2.408 324 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 324 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 324 G C 1.536 176.603 174.900 0.280 0.000 1.150 324 G CA 0.229 45.500 45.100 0.285 0.000 0.776 324 G HN 0.131 nan 8.290 nan 0.000 0.542 325 I N -0.061 120.607 120.570 0.163 0.000 2.226 325 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 325 I C 2.398 178.706 176.117 0.318 0.000 1.100 325 I CA 0.860 62.272 61.300 0.186 0.000 1.374 325 I CB -0.998 37.012 38.000 0.017 0.000 1.057 325 I HN 0.465 nan 8.210 nan 0.000 0.413 326 W N 1.261 122.577 121.300 0.027 0.000 2.315 326 W HA -0.332 4.328 4.660 -0.000 0.000 0.323 326 W C 2.587 179.160 176.519 0.091 0.000 1.233 326 W CA 1.456 58.791 57.345 -0.016 0.000 1.267 326 W CB -0.526 28.804 29.460 -0.216 0.000 1.160 326 W HN 0.082 nan 8.180 nan 0.000 0.474 327 Y N 0.332 120.783 120.300 0.251 0.000 2.352 327 Y HA -0.158 4.392 4.550 -0.000 0.000 0.292 327 Y C 2.348 178.335 175.900 0.145 0.000 1.136 327 Y CA 1.468 59.636 58.100 0.114 0.000 1.227 327 Y CB -0.942 37.595 38.460 0.128 0.000 0.991 327 Y HN -0.041 nan 8.280 nan 0.000 0.545 328 I N -0.591 120.183 120.570 0.339 0.000 2.385 328 I HA -0.189 3.981 4.170 -0.000 0.000 0.244 328 I C 1.349 177.597 176.117 0.218 0.000 1.089 328 I CA 1.120 62.595 61.300 0.292 0.000 1.410 328 I CB -0.177 38.053 38.000 0.384 0.000 1.117 328 I HN 0.063 nan 8.210 nan 0.000 0.429 329 N N -1.059 117.790 118.700 0.249 0.000 2.422 329 N HA -0.011 4.728 4.740 -0.000 0.000 0.181 329 N C 1.278 176.828 175.510 0.067 0.000 1.080 329 N CA 0.458 53.657 53.050 0.249 0.000 0.893 329 N CB 0.246 38.977 38.487 0.406 0.000 0.973 329 N HN 0.322 nan 8.380 nan 0.000 0.456 330 C N -1.365 117.812 119.300 -0.204 0.000 2.341 330 C HA 0.272 4.731 4.460 -0.000 0.000 0.372 330 C C 1.756 176.193 174.990 -0.921 0.000 1.430 330 C CA -0.355 58.166 59.018 -0.828 0.000 2.316 330 C CB -0.886 26.007 27.740 -1.412 0.000 2.416 330 C HN 0.318 nan 8.230 nan 0.000 0.583 331 F N 1.668 121.295 119.950 -0.538 0.000 2.558 331 F HA 0.221 4.748 4.527 -0.000 0.000 0.298 331 F C 2.055 177.847 175.800 -0.013 0.000 1.119 331 F CA 1.471 59.391 58.000 -0.132 0.000 1.451 331 F CB -0.540 38.482 39.000 0.037 0.000 1.091 331 F HN 0.436 nan 8.300 nan 0.000 0.563 332 G N 0.208 109.086 108.800 0.129 0.000 2.198 332 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.257 332 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.257 332 G C -0.031 174.955 174.900 0.143 0.000 1.042 332 G CA -0.096 45.076 45.100 0.120 0.000 0.791 332 G HN 0.314 nan 8.290 nan 0.000 0.502 333 C N 0.188 119.599 119.300 0.185 0.000 2.632 333 C HA 0.337 4.797 4.460 -0.000 0.000 0.415 333 C C 1.842 176.913 174.990 0.135 0.000 1.332 333 C CA -0.155 58.952 59.018 0.148 0.000 1.874 333 C CB 0.698 28.519 27.740 0.135 0.000 2.596 333 C HN 0.646 nan 8.230 nan 0.000 0.590 334 E N 0.422 120.681 120.200 0.099 0.000 2.158 334 E HA -0.056 4.293 4.350 -0.000 0.000 0.191 334 E C 1.119 177.788 176.600 0.115 0.000 0.982 334 E CA 0.978 57.425 56.400 0.079 0.000 0.823 334 E CB 0.303 30.023 29.700 0.032 0.000 0.766 334 E HN 0.910 nan 8.360 nan 0.000 0.468 335 T N -2.356 112.291 114.554 0.155 0.000 2.926 335 T HA 0.443 4.793 4.350 -0.000 0.000 0.289 335 T C -1.008 173.879 174.700 0.312 0.000 1.054 335 T CA -0.886 61.365 62.100 0.252 0.000 1.015 335 T CB 2.079 71.126 68.868 0.298 0.000 1.167 335 T HN 0.071 nan 8.240 nan 0.000 0.526 336 H N -0.321 118.880 119.070 0.218 0.000 3.018 336 H HA 0.644 5.200 4.556 -0.000 0.000 0.334 336 H C -0.830 174.444 175.328 -0.090 0.000 0.983 336 H CA -0.256 55.846 56.048 0.090 0.000 1.363 336 H CB 1.052 30.882 29.762 0.114 0.000 1.668 336 H HN 1.067 nan 8.280 nan 0.000 0.513 337 A N 5.577 128.034 122.820 -0.605 0.000 2.309 337 A HA 0.625 4.945 4.320 -0.000 0.000 0.298 337 A C -0.552 176.608 177.584 -0.707 0.000 1.165 337 A CA -0.666 50.788 52.037 -0.972 0.000 0.821 337 A CB 0.450 18.776 19.000 -1.123 0.000 1.102 337 A HN 0.761 nan 8.150 nan 0.000 0.500 338 M N 2.939 122.231 119.600 -0.515 0.000 2.142 338 M HA 0.384 4.864 4.480 -0.000 0.000 0.299 338 M C -1.391 174.810 176.300 -0.165 0.000 0.960 338 M CA 0.182 55.351 55.300 -0.219 0.000 0.920 338 M CB 1.484 34.053 32.600 -0.052 0.000 1.541 338 M HN 0.508 nan 8.290 nan 0.000 0.429 339 L N 5.767 126.910 121.223 -0.133 0.000 2.433 339 L HA 0.473 4.813 4.340 -0.000 0.000 0.256 339 L C -2.387 174.588 176.870 0.176 0.000 1.063 339 L CA -1.614 53.177 54.840 -0.082 0.000 0.922 339 L CB 0.939 42.766 42.059 -0.386 0.000 1.238 339 L HN 0.312 nan 8.230 nan 0.000 0.466 340 P HA 0.127 nan 4.420 nan 0.000 0.290 340 P C -1.089 176.441 177.300 0.384 0.000 1.276 340 P CA -0.348 62.963 63.100 0.352 0.000 0.808 340 P CB 0.937 32.767 31.700 0.217 0.000 0.966 341 Y N 2.140 122.579 120.300 0.232 0.000 2.812 341 Y HA 0.319 4.869 4.550 -0.000 0.000 0.354 341 Y C 0.548 176.539 175.900 0.152 0.000 1.276 341 Y CA -0.006 58.217 58.100 0.204 0.000 1.639 341 Y CB -0.166 38.462 38.460 0.281 0.000 1.741 341 Y HN 0.333 nan 8.280 nan 0.000 0.479 342 D N 1.066 121.593 120.400 0.212 0.000 2.369 342 D HA -0.001 4.639 4.640 -0.000 0.000 0.212 342 D C 0.447 176.830 176.300 0.138 0.000 1.326 342 D CA -0.102 54.009 54.000 0.186 0.000 0.933 342 D CB 1.304 42.252 40.800 0.245 0.000 1.516 342 D HN 0.243 nan 8.370 nan 0.000 0.557 343 Q N 2.450 122.270 119.800 0.034 0.000 2.197 343 Q HA -0.164 4.176 4.340 -0.000 0.000 0.207 343 Q C 1.138 177.192 176.000 0.091 0.000 0.984 343 Q CA 1.787 57.576 55.803 -0.024 0.000 0.869 343 Q CB -0.201 28.419 28.738 -0.196 0.000 0.906 343 Q HN 0.691 nan 8.270 nan 0.000 0.426 344 Y N -0.766 119.638 120.300 0.173 0.000 2.274 344 Y HA -0.127 4.423 4.550 -0.000 0.000 0.290 344 Y C 1.184 177.225 175.900 0.235 0.000 1.145 344 Y CA 0.460 58.684 58.100 0.207 0.000 1.203 344 Y CB 0.184 38.745 38.460 0.170 0.000 0.984 344 Y HN 0.057 nan 8.280 nan 0.000 0.533 345 L N 0.761 122.186 121.223 0.337 0.000 2.715 345 L HA -0.009 4.331 4.340 -0.000 0.000 0.238 345 L C 1.531 178.546 176.870 0.241 0.000 1.212 345 L CA 0.038 55.024 54.840 0.243 0.000 1.017 345 L CB -0.736 41.408 42.059 0.142 0.000 1.269 345 L HN 0.476 nan 8.230 nan 0.000 0.452 346 H N -1.826 117.332 119.070 0.147 0.000 2.518 346 H HA -0.062 4.494 4.556 -0.000 0.000 0.292 346 H C 1.706 177.102 175.328 0.114 0.000 1.068 346 H CA 0.665 56.780 56.048 0.112 0.000 1.275 346 H CB 0.054 29.858 29.762 0.070 0.000 1.375 346 H HN 0.057 nan 8.280 nan 0.000 0.563 347 R N -0.578 119.755 120.500 -0.279 0.000 2.472 347 R HA 0.115 4.455 4.340 -0.000 0.000 0.279 347 R C 0.901 177.193 176.300 -0.014 0.000 0.953 347 R CA -0.227 55.746 56.100 -0.211 0.000 1.088 347 R CB -0.819 29.257 30.300 -0.372 0.000 1.197 347 R HN 0.365 nan 8.270 nan 0.000 0.536 348 F N 1.603 121.524 119.950 -0.048 0.000 2.134 348 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 348 F C 2.035 177.890 175.800 0.092 0.000 1.097 348 F CA 1.574 59.592 58.000 0.029 0.000 1.264 348 F CB -0.024 39.024 39.000 0.081 0.000 1.001 348 F HN 0.081 nan 8.300 nan 0.000 0.479 349 A N 0.262 123.171 122.820 0.149 0.000 1.902 349 A HA -0.071 4.248 4.320 -0.000 0.000 0.217 349 A C 2.389 179.961 177.584 -0.020 0.000 1.181 349 A CA 1.772 53.836 52.037 0.045 0.000 0.623 349 A CB -1.550 17.480 19.000 0.050 0.000 0.818 349 A HN 0.468 nan 8.150 nan 0.000 0.443 350 A N -1.661 121.147 122.820 -0.021 0.000 1.933 350 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 350 A C 2.118 179.623 177.584 -0.131 0.000 1.175 350 A CA 1.605 53.609 52.037 -0.055 0.000 0.628 350 A CB -0.777 18.194 19.000 -0.048 0.000 0.814 350 A HN 0.743 nan 8.150 nan 0.000 0.444 351 Y N -0.871 119.244 120.300 -0.309 0.000 2.181 351 Y HA -0.184 4.365 4.550 -0.000 0.000 0.288 351 Y C 1.748 177.292 175.900 -0.592 0.000 1.146 351 Y CA 1.972 59.778 58.100 -0.489 0.000 1.164 351 Y CB -0.316 37.764 38.460 -0.633 0.000 0.982 351 Y HN 0.278 nan 8.280 nan 0.000 0.515 352 F N -0.042 119.693 119.950 -0.359 0.000 2.710 352 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 352 F C 2.469 178.109 175.800 -0.266 0.000 1.137 352 F CA 0.741 58.514 58.000 -0.378 0.000 1.444 352 F CB -0.253 38.500 39.000 -0.412 0.000 1.111 352 F HN 0.097 nan 8.300 nan 0.000 0.580 353 Q N 0.455 120.197 119.800 -0.095 0.000 2.096 353 Q HA -0.307 4.033 4.340 -0.000 0.000 0.204 353 Q C 2.297 178.223 176.000 -0.124 0.000 0.982 353 Q CA 2.061 57.830 55.803 -0.057 0.000 0.850 353 Q CB -0.116 28.595 28.738 -0.046 0.000 0.901 353 Q HN 0.521 nan 8.270 nan 0.000 0.422 354 Q N -1.193 118.452 119.800 -0.258 0.000 2.096 354 Q HA -0.087 4.253 4.340 -0.000 0.000 0.197 354 Q C 1.932 177.723 176.000 -0.347 0.000 0.964 354 Q CA 1.278 56.898 55.803 -0.306 0.000 0.838 354 Q CB -0.237 28.262 28.738 -0.399 0.000 0.906 354 Q HN 0.430 nan 8.270 nan 0.000 0.444 355 G N 0.920 109.422 108.800 -0.498 0.000 2.418 355 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 355 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 355 G C 1.227 176.055 174.900 -0.121 0.000 1.158 355 G CA 1.041 45.877 45.100 -0.440 0.000 0.771 355 G HN 0.407 nan 8.290 nan 0.000 0.545 356 D N 0.292 120.695 120.400 0.005 0.000 2.107 356 D HA -0.005 4.635 4.640 -0.000 0.000 0.204 356 D C 2.749 179.071 176.300 0.035 0.000 0.978 356 D CA 0.730 54.776 54.000 0.077 0.000 0.852 356 D CB -0.199 40.664 40.800 0.105 0.000 1.008 356 D HN 0.261 nan 8.370 nan 0.000 0.458 357 M N 0.383 119.985 119.600 0.003 0.000 2.159 357 M HA -0.105 4.374 4.480 -0.000 0.000 0.263 357 M C 2.165 178.451 176.300 -0.024 0.000 1.063 357 M CA 1.137 56.436 55.300 -0.002 0.000 1.110 357 M CB -0.183 32.411 32.600 -0.010 0.000 1.374 357 M HN 0.038 nan 8.290 nan 0.000 0.411 358 E N -0.344 119.818 120.200 -0.065 0.000 2.347 358 E HA -0.094 4.256 4.350 -0.000 0.000 0.196 358 E C 1.697 178.268 176.600 -0.048 0.000 1.008 358 E CA 0.699 57.058 56.400 -0.068 0.000 0.852 358 E CB 0.290 29.921 29.700 -0.114 0.000 0.783 358 E HN 0.392 nan 8.360 nan 0.000 0.505 359 S N 0.485 116.162 115.700 -0.038 0.000 2.341 359 S HA 0.006 4.476 4.470 -0.000 0.000 0.216 359 S C 1.307 175.908 174.600 0.003 0.000 1.034 359 S CA 0.820 58.999 58.200 -0.035 0.000 0.964 359 S CB -0.050 63.147 63.200 -0.005 0.000 0.882 359 S HN 0.336 nan 8.310 nan 0.000 0.469 360 N N 0.444 119.182 118.700 0.063 0.000 2.203 360 N HA 0.175 4.915 4.740 -0.000 0.000 0.207 360 N C 0.402 175.931 175.510 0.032 0.000 1.130 360 N CA -0.230 52.892 53.050 0.120 0.000 0.861 360 N CB 0.655 39.327 38.487 0.308 0.000 1.005 360 N HN 0.248 nan 8.380 nan 0.000 0.507 361 G N 1.453 110.262 108.800 0.015 0.000 3.008 361 G HA2 0.101 4.061 3.960 -0.000 0.000 0.272 361 G HA3 0.101 4.061 3.960 -0.000 0.000 0.272 361 G C -0.076 174.840 174.900 0.026 0.000 0.764 361 G CA 0.071 45.164 45.100 -0.011 0.000 2.029 361 G HN 0.013 nan 8.290 nan 0.000 0.587 362 K N 0.542 120.962 120.400 0.033 0.000 2.482 362 K HA 0.330 4.650 4.320 -0.000 0.000 0.257 362 K C -0.602 176.091 176.600 0.155 0.000 0.969 362 K CA -0.981 55.380 56.287 0.124 0.000 0.842 362 K CB 2.098 34.664 32.500 0.111 0.000 1.359 362 K HN 0.466 nan 8.250 nan 0.000 0.441 363 Y N -1.357 118.926 120.300 -0.029 0.000 2.729 363 Y HA 0.405 4.955 4.550 -0.000 0.000 0.266 363 Y C -0.414 175.466 175.900 -0.033 0.000 1.064 363 Y CA -0.562 57.496 58.100 -0.070 0.000 1.251 363 Y CB 0.854 39.267 38.460 -0.080 0.000 1.379 363 Y HN 0.168 nan 8.280 nan 0.000 0.569 364 I N 3.555 123.936 120.570 -0.315 0.000 2.382 364 I HA 0.244 4.414 4.170 -0.000 0.000 0.286 364 I C 0.635 176.727 176.117 -0.042 0.000 1.002 364 I CA -0.807 60.309 61.300 -0.307 0.000 1.135 364 I CB 1.229 39.033 38.000 -0.327 0.000 1.288 364 I HN 0.353 nan 8.210 nan 0.000 0.448 365 T N 2.372 116.918 114.554 -0.014 0.000 2.698 365 T HA 0.159 4.509 4.350 -0.000 0.000 0.295 365 T C 1.175 175.936 174.700 0.101 0.000 1.007 365 T CA -0.362 61.787 62.100 0.081 0.000 0.980 365 T CB 1.281 70.186 68.868 0.062 0.000 1.036 365 T HN 0.657 nan 8.240 nan 0.000 0.526 366 K N -0.061 120.391 120.400 0.085 0.000 2.283 366 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 366 K C 2.149 178.652 176.600 -0.161 0.000 1.048 366 K CA 1.266 57.465 56.287 -0.147 0.000 0.948 366 K CB -0.378 31.865 32.500 -0.429 0.000 0.742 366 K HN 0.710 nan 8.250 nan 0.000 0.458 367 S N -1.296 114.359 115.700 -0.075 0.000 2.558 367 S HA 0.145 4.614 4.470 -0.000 0.000 0.217 367 S C 1.240 175.815 174.600 -0.042 0.000 0.975 367 S CA 0.316 58.478 58.200 -0.064 0.000 0.912 367 S CB 0.440 63.616 63.200 -0.040 0.000 0.776 367 S HN 0.479 nan 8.310 nan 0.000 0.526 368 G N 0.436 109.218 108.800 -0.030 0.000 2.163 368 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.213 368 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.213 368 G C 0.022 174.886 174.900 -0.060 0.000 0.991 368 G CA -0.036 45.042 45.100 -0.036 0.000 0.653 368 G HN 0.573 nan 8.290 nan 0.000 0.518 369 T N 0.999 115.522 114.554 -0.052 0.000 2.799 369 T HA 0.511 4.861 4.350 -0.000 0.000 0.286 369 T C 0.589 175.234 174.700 -0.091 0.000 0.973 369 T CA -0.469 61.598 62.100 -0.055 0.000 1.035 369 T CB 1.771 70.624 68.868 -0.024 0.000 0.932 369 T HN 0.506 nan 8.240 nan 0.000 0.469 370 R N 2.732 123.170 120.500 -0.102 0.000 2.522 370 R HA 0.158 4.498 4.340 -0.000 0.000 0.284 370 R C -0.010 176.230 176.300 -0.101 0.000 1.032 370 R CA -0.248 55.777 56.100 -0.125 0.000 1.049 370 R CB 0.168 30.447 30.300 -0.036 0.000 0.956 370 R HN 0.443 nan 8.270 nan 0.000 0.422 371 V N 4.019 123.842 119.914 -0.152 0.000 3.061 371 V HA -0.125 3.995 4.120 -0.000 0.000 0.306 371 V C 0.663 176.591 176.094 -0.277 0.000 1.118 371 V CA 1.041 63.153 62.300 -0.312 0.000 1.231 371 V CB 0.978 32.522 31.823 -0.465 0.000 0.956 371 V HN 0.996 nan 8.190 nan 0.000 0.499 372 D N 1.908 122.120 120.400 -0.313 0.000 2.696 372 D HA 0.200 4.840 4.640 -0.000 0.000 0.269 372 D C -0.157 176.103 176.300 -0.067 0.000 1.319 372 D CA -0.295 53.634 54.000 -0.118 0.000 0.826 372 D CB -0.010 40.795 40.800 0.009 0.000 1.086 372 D HN 0.820 nan 8.370 nan 0.000 0.481 373 H N -3.307 115.756 119.070 -0.012 0.000 2.943 373 H HA 0.558 5.113 4.556 -0.000 0.000 0.323 373 H C -0.438 174.826 175.328 -0.107 0.000 1.296 373 H CA -1.010 55.023 56.048 -0.024 0.000 1.155 373 H CB 0.343 30.087 29.762 -0.030 0.000 1.882 373 H HN -0.304 nan 8.280 nan 0.000 0.553 374 Q N 0.547 120.401 119.800 0.090 0.000 2.373 374 Q HA 0.273 4.613 4.340 -0.000 0.000 0.255 374 Q C 0.290 176.072 176.000 -0.364 0.000 0.980 374 Q CA 0.618 56.371 55.803 -0.084 0.000 0.882 374 Q CB 1.579 30.306 28.738 -0.019 0.000 1.249 374 Q HN 0.992 nan 8.270 nan 0.000 0.438 375 T N -2.250 111.947 114.554 -0.596 0.000 2.624 375 T HA 0.523 4.872 4.350 -0.000 0.000 0.223 375 T C 0.624 174.689 174.700 -1.059 0.000 0.992 375 T CA -0.177 61.141 62.100 -1.304 0.000 1.111 375 T CB -0.444 67.974 68.868 -0.750 0.000 2.611 375 T HN 0.570 nan 8.240 nan 0.000 0.489 376 G N 3.074 111.493 108.800 -0.634 0.000 2.484 376 G HA2 0.481 4.441 3.960 -0.000 0.000 0.235 376 G HA3 0.481 4.441 3.960 -0.000 0.000 0.235 376 G C -2.208 172.670 174.900 -0.037 0.000 1.282 376 G CA -0.767 44.240 45.100 -0.154 0.000 0.857 376 G HN 0.693 nan 8.290 nan 0.000 0.571 377 P HA 0.379 nan 4.420 nan 0.000 0.280 377 P C -0.470 176.899 177.300 0.116 0.000 1.272 377 P CA -0.720 62.454 63.100 0.123 0.000 0.819 377 P CB 1.596 33.421 31.700 0.208 0.000 1.122 378 I N 0.641 121.286 120.570 0.126 0.000 2.312 378 I HA 0.136 4.306 4.170 -0.000 0.000 0.291 378 I C 0.220 176.491 176.117 0.257 0.000 1.031 378 I CA -0.594 60.783 61.300 0.127 0.000 1.293 378 I CB 1.061 39.097 38.000 0.060 0.000 1.403 378 I HN -0.015 nan 8.210 nan 0.000 0.484 379 V N 7.505 127.556 119.914 0.229 0.000 2.481 379 V HA 0.481 4.601 4.120 -0.000 0.000 0.286 379 V C -0.428 175.841 176.094 0.292 0.000 1.042 379 V CA -0.260 62.188 62.300 0.247 0.000 0.928 379 V CB 1.142 33.056 31.823 0.152 0.000 0.986 379 V HN 0.805 nan 8.190 nan 0.000 0.462 380 W N 2.656 123.934 121.300 -0.038 0.000 2.989 380 W HA 0.821 5.481 4.660 -0.000 0.000 0.344 380 W C -0.364 176.082 176.519 -0.122 0.000 1.233 380 W CA -0.702 56.588 57.345 -0.092 0.000 1.187 380 W CB 1.233 30.609 29.460 -0.141 0.000 1.443 380 W HN 1.011 nan 8.180 nan 0.000 0.573 381 G N 0.797 109.497 108.800 -0.166 0.000 2.328 381 G HA2 0.395 4.355 3.960 -0.000 0.000 0.299 381 G HA3 0.395 4.355 3.960 -0.000 0.000 0.299 381 G C -2.042 172.838 174.900 -0.032 0.000 1.435 381 G CA -0.844 44.029 45.100 -0.378 0.000 0.865 381 G HN 0.483 nan 8.290 nan 0.000 0.601 382 E N -0.178 120.086 120.200 0.106 0.000 2.393 382 E HA 0.569 4.919 4.350 -0.000 0.000 0.273 382 E C -2.610 174.094 176.600 0.173 0.000 0.918 382 E CA -1.504 55.032 56.400 0.226 0.000 0.773 382 E CB 2.665 32.608 29.700 0.405 0.000 1.275 382 E HN 0.303 nan 8.360 nan 0.000 0.451 383 P HA 0.120 nan 4.420 nan 0.000 0.269 383 P C 0.043 177.251 177.300 -0.153 0.000 1.209 383 P CA -0.102 63.014 63.100 0.028 0.000 0.776 383 P CB 0.433 32.167 31.700 0.057 0.000 0.876 384 G N 0.408 108.913 108.800 -0.491 0.000 2.507 384 G HA2 0.349 4.309 3.960 -0.000 0.000 0.271 384 G HA3 0.349 4.309 3.960 -0.000 0.000 0.271 384 G C 0.936 175.439 174.900 -0.662 0.000 1.189 384 G CA -0.294 44.160 45.100 -1.076 0.000 0.859 384 G HN 0.522 nan 8.290 nan 0.000 0.542 385 T N -1.300 113.008 114.554 -0.409 0.000 3.100 385 T HA -0.042 4.308 4.350 -0.000 0.000 0.253 385 T C 1.729 176.274 174.700 -0.258 0.000 1.118 385 T CA 0.511 62.401 62.100 -0.350 0.000 1.058 385 T CB -0.178 68.657 68.868 -0.055 0.000 0.953 385 T HN 0.404 nan 8.240 nan 0.000 0.515 386 N N 2.532 121.111 118.700 -0.203 0.000 2.060 386 N HA -0.069 4.671 4.740 -0.000 0.000 0.195 386 N C 2.122 177.480 175.510 -0.254 0.000 1.028 386 N CA 1.682 54.645 53.050 -0.145 0.000 0.861 386 N CB -1.046 37.375 38.487 -0.111 0.000 1.029 386 N HN 0.575 nan 8.380 nan 0.000 0.428 387 G N 0.320 108.877 108.800 -0.406 0.000 2.499 387 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.221 387 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.221 387 G C 1.336 175.552 174.900 -1.140 0.000 1.109 387 G CA 0.642 45.226 45.100 -0.860 0.000 0.749 387 G HN 0.394 nan 8.290 nan 0.000 0.568 388 Q N -0.716 118.370 119.800 -1.190 0.000 2.291 388 Q HA -0.023 4.317 4.340 -0.000 0.000 0.205 388 Q C 1.607 177.259 176.000 -0.580 0.000 0.970 388 Q CA 0.731 55.879 55.803 -1.091 0.000 0.876 388 Q CB 0.015 28.311 28.738 -0.736 0.000 0.935 388 Q HN 0.654 nan 8.270 nan 0.000 0.455 389 H N -1.968 116.895 119.070 -0.345 0.000 2.549 389 H HA 0.355 4.911 4.556 -0.000 0.000 0.279 389 H C 0.551 175.794 175.328 -0.143 0.000 1.018 389 H CA 0.386 56.327 56.048 -0.179 0.000 1.175 389 H CB 0.838 30.513 29.762 -0.146 0.000 1.485 389 H HN 0.223 nan 8.280 nan 0.000 0.543 390 A N 0.820 123.552 122.820 -0.147 0.000 2.522 390 A HA 0.177 4.497 4.320 -0.000 0.000 0.204 390 A C 1.041 178.620 177.584 -0.009 0.000 1.826 390 A CA -0.197 51.786 52.037 -0.089 0.000 1.652 390 A CB -0.873 18.048 19.000 -0.132 0.000 1.452 390 A HN 0.126 nan 8.150 nan 0.000 0.477 391 F N -1.053 119.056 119.950 0.266 0.000 2.604 391 F HA 0.108 4.634 4.527 -0.000 0.000 0.298 391 F C 1.632 177.653 175.800 0.370 0.000 1.131 391 F CA 0.376 58.553 58.000 0.296 0.000 1.457 391 F CB -0.934 38.283 39.000 0.362 0.000 1.095 391 F HN 0.284 nan 8.300 nan 0.000 0.574 392 Y N 1.398 121.702 120.300 0.006 0.000 2.315 392 Y HA -0.229 4.321 4.550 -0.000 0.000 0.288 392 Y C 2.643 178.706 175.900 0.270 0.000 1.154 392 Y CA 1.354 59.563 58.100 0.183 0.000 1.229 392 Y CB -1.139 37.408 38.460 0.146 0.000 0.980 392 Y HN 0.246 nan 8.280 nan 0.000 0.540 393 Q N 0.566 120.565 119.800 0.331 0.000 2.197 393 Q HA -0.212 4.128 4.340 -0.000 0.000 0.207 393 Q C 2.069 178.196 176.000 0.212 0.000 0.984 393 Q CA 1.812 57.758 55.803 0.238 0.000 0.869 393 Q CB -0.625 28.201 28.738 0.146 0.000 0.906 393 Q HN 0.653 nan 8.270 nan 0.000 0.426 394 L N -1.265 120.092 121.223 0.224 0.000 2.298 394 L HA 0.162 4.502 4.340 -0.000 0.000 0.209 394 L C 1.911 178.868 176.870 0.145 0.000 1.084 394 L CA 0.353 55.289 54.840 0.161 0.000 0.816 394 L CB 0.012 42.160 42.059 0.149 0.000 0.967 394 L HN 0.241 nan 8.230 nan 0.000 0.460 395 I N -0.597 120.072 120.570 0.165 0.000 2.252 395 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 395 I C 2.336 178.453 176.117 -0.000 0.000 1.102 395 I CA 0.969 62.293 61.300 0.040 0.000 1.385 395 I CB -0.532 37.416 38.000 -0.086 0.000 1.064 395 I HN 0.332 nan 8.210 nan 0.000 0.414 396 H N 0.499 119.651 119.070 0.137 0.000 2.395 396 H HA 0.030 4.586 4.556 -0.000 0.000 0.299 396 H C 1.102 176.460 175.328 0.051 0.000 1.070 396 H CA 1.128 57.274 56.048 0.164 0.000 1.356 396 H CB 0.267 30.209 29.762 0.300 0.000 1.401 396 H HN 0.473 nan 8.280 nan 0.000 0.524 397 Q N -0.109 119.759 119.800 0.113 0.000 2.055 397 Q HA 0.223 4.563 4.340 -0.000 0.000 0.226 397 Q C 0.633 176.632 176.000 -0.001 0.000 0.805 397 Q CA -0.289 55.498 55.803 -0.028 0.000 1.072 397 Q CB 1.899 30.542 28.738 -0.159 0.000 1.219 397 Q HN 0.220 nan 8.270 nan 0.000 0.451 398 G N 0.434 109.255 108.800 0.035 0.000 2.574 398 G HA2 0.197 4.157 3.960 -0.000 0.000 0.248 398 G HA3 0.197 4.157 3.960 -0.000 0.000 0.248 398 G C 0.637 175.549 174.900 0.019 0.000 1.422 398 G CA 0.206 45.324 45.100 0.029 0.000 1.051 398 G HN 0.171 nan 8.290 nan 0.000 0.560 399 T N -2.587 111.978 114.554 0.019 0.000 3.228 399 T HA 0.451 4.801 4.350 -0.000 0.000 0.278 399 T C 0.155 174.871 174.700 0.027 0.000 1.014 399 T CA -0.306 61.806 62.100 0.020 0.000 0.904 399 T CB 0.187 69.063 68.868 0.013 0.000 1.110 399 T HN 0.188 nan 8.240 nan 0.000 0.541 400 K N 1.316 121.733 120.400 0.029 0.000 2.259 400 K HA 0.637 4.957 4.320 -0.000 0.000 0.249 400 K C -0.816 175.803 176.600 0.032 0.000 0.942 400 K CA -0.714 55.592 56.287 0.031 0.000 0.816 400 K CB 2.185 34.698 32.500 0.021 0.000 1.155 400 K HN 0.230 nan 8.250 nan 0.000 0.428 401 M N 4.068 123.688 119.600 0.032 0.000 2.144 401 M HA 0.456 4.936 4.480 -0.000 0.000 0.356 401 M C -1.320 174.967 176.300 -0.023 0.000 1.217 401 M CA -0.215 55.081 55.300 -0.007 0.000 1.087 401 M CB 0.352 32.954 32.600 0.004 0.000 1.609 401 M HN 0.557 nan 8.290 nan 0.000 0.467 402 I N 7.474 128.007 120.570 -0.062 0.000 2.560 402 I HA 0.336 4.506 4.170 -0.000 0.000 0.278 402 I C -2.332 173.698 176.117 -0.145 0.000 1.089 402 I CA -1.823 59.458 61.300 -0.033 0.000 1.086 402 I CB 1.581 39.628 38.000 0.078 0.000 1.202 402 I HN 0.490 nan 8.210 nan 0.000 0.471 403 P HA 0.110 nan 4.420 nan 0.000 0.267 403 P C -0.855 176.295 177.300 -0.250 0.000 1.209 403 P CA -0.052 62.866 63.100 -0.303 0.000 0.763 403 P CB 0.349 31.846 31.700 -0.338 0.000 0.816 404 C N 2.804 121.989 119.300 -0.192 0.000 2.561 404 C HA 0.455 4.914 4.460 -0.000 0.000 0.319 404 C C -0.245 174.722 174.990 -0.038 0.000 1.198 404 C CA -0.470 58.403 59.018 -0.242 0.000 1.665 404 C CB 1.556 29.198 27.740 -0.163 0.000 2.258 404 C HN 0.465 nan 8.230 nan 0.000 0.493 405 D N 1.443 121.790 120.400 -0.089 0.000 2.392 405 D HA 0.488 5.128 4.640 -0.000 0.000 0.228 405 D C -0.724 175.686 176.300 0.184 0.000 1.074 405 D CA -0.016 54.090 54.000 0.177 0.000 0.838 405 D CB 0.589 41.565 40.800 0.294 0.000 1.067 405 D HN 0.252 nan 8.370 nan 0.000 0.511 406 F N 1.933 121.930 119.950 0.078 0.000 2.394 406 F HA 0.427 4.954 4.527 -0.000 0.000 0.340 406 F C 0.131 176.166 175.800 0.391 0.000 1.105 406 F CA -0.588 57.477 58.000 0.109 0.000 1.124 406 F CB 0.743 39.520 39.000 -0.372 0.000 1.145 406 F HN 0.069 nan 8.300 nan 0.000 0.505 407 L N 4.949 126.560 121.223 0.647 0.000 2.381 407 L HA 0.682 5.022 4.340 -0.000 0.000 0.268 407 L C -0.857 176.241 176.870 0.381 0.000 0.997 407 L CA -0.346 54.840 54.840 0.576 0.000 0.818 407 L CB 2.266 44.621 42.059 0.492 0.000 1.310 407 L HN 0.552 nan 8.230 nan 0.000 0.416 408 I N 3.192 123.661 120.570 -0.169 0.000 2.787 408 I HA 0.483 4.653 4.170 -0.000 0.000 0.294 408 I C -2.702 172.704 176.117 -1.184 0.000 1.365 408 I CA -1.721 59.245 61.300 -0.557 0.000 1.029 408 I CB 3.527 41.009 38.000 -0.863 0.000 1.313 408 I HN 0.393 nan 8.210 nan 0.000 0.431 409 P HA 0.152 nan 4.420 nan 0.000 0.285 409 P C 0.423 177.597 177.300 -0.210 0.000 1.259 409 P CA -0.165 62.566 63.100 -0.614 0.000 0.794 409 P CB 1.999 33.654 31.700 -0.075 0.000 0.940 410 V N 2.644 122.458 119.914 -0.168 0.000 2.358 410 V HA -0.163 3.956 4.120 -0.000 0.000 0.246 410 V C 1.286 177.400 176.094 0.032 0.000 1.047 410 V CA 1.787 64.069 62.300 -0.030 0.000 1.035 410 V CB -0.817 30.978 31.823 -0.047 0.000 0.658 410 V HN 0.586 nan 8.190 nan 0.000 0.452 411 Q N -0.035 119.733 119.800 -0.053 0.000 2.271 411 Q HA 0.401 4.741 4.340 -0.000 0.000 0.258 411 Q C -0.179 175.663 176.000 -0.263 0.000 0.936 411 Q CA -0.118 55.607 55.803 -0.130 0.000 0.909 411 Q CB 1.889 30.597 28.738 -0.050 0.000 1.253 411 Q HN 0.319 nan 8.270 nan 0.000 0.440 412 T N 0.977 115.247 114.554 -0.473 0.000 2.909 412 T HA 0.062 4.411 4.350 -0.000 0.000 0.286 412 T C 1.005 175.599 174.700 -0.176 0.000 1.002 412 T CA -0.447 61.403 62.100 -0.416 0.000 1.074 412 T CB 0.908 69.421 68.868 -0.591 0.000 0.984 412 T HN 0.490 nan 8.240 nan 0.000 0.495 413 Q N 1.847 121.597 119.800 -0.083 0.000 2.364 413 Q HA -0.010 4.330 4.340 -0.000 0.000 0.207 413 Q C -0.027 175.687 176.000 -0.475 0.000 0.970 413 Q CA 1.159 56.831 55.803 -0.218 0.000 0.888 413 Q CB 0.035 28.705 28.738 -0.113 0.000 0.951 413 Q HN 0.653 nan 8.270 nan 0.000 0.469 414 H N 0.126 119.177 119.070 -0.033 0.000 2.917 414 H HA 0.216 4.772 4.556 -0.000 0.000 0.279 414 H C -2.129 173.158 175.328 -0.069 0.000 1.211 414 H CA -1.699 54.319 56.048 -0.051 0.000 1.534 414 H CB 1.431 31.158 29.762 -0.058 0.000 1.581 414 H HN -0.008 nan 8.280 nan 0.000 0.510 415 P HA 0.106 nan 4.420 nan 0.000 0.220 415 P C 0.891 178.205 177.300 0.023 0.000 1.793 415 P CA -0.350 62.759 63.100 0.015 0.000 0.917 415 P CB -0.736 30.959 31.700 -0.008 0.000 1.755 416 I N -3.328 117.243 120.570 0.002 0.000 3.161 416 I HA 0.081 4.251 4.170 -0.000 0.000 0.284 416 I C 0.765 176.904 176.117 0.036 0.000 1.252 416 I CA -0.443 60.845 61.300 -0.019 0.000 1.374 416 I CB -0.050 37.876 38.000 -0.124 0.000 1.359 416 I HN -0.031 nan 8.210 nan 0.000 0.606 417 R N 1.760 122.288 120.500 0.047 0.000 3.502 417 R HA -0.221 4.119 4.340 -0.000 0.000 0.266 417 R C 0.033 176.375 176.300 0.071 0.000 1.077 417 R CA 1.180 57.328 56.100 0.080 0.000 0.718 417 R CB -2.100 28.295 30.300 0.159 0.000 1.120 417 R HN 0.909 nan 8.270 nan 0.000 0.457 418 K N -1.455 118.974 120.400 0.049 0.000 3.096 418 K HA -0.258 4.061 4.320 -0.000 0.000 0.266 418 K C 0.769 177.402 176.600 0.055 0.000 1.043 418 K CA 0.953 57.264 56.287 0.041 0.000 0.758 418 K CB -1.735 30.784 32.500 0.031 0.000 1.260 418 K HN 0.848 nan 8.250 nan 0.000 0.481 419 G N -0.106 108.740 108.800 0.076 0.000 2.148 419 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.254 419 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.254 419 G C 0.621 175.598 174.900 0.128 0.000 0.981 419 G CA 0.424 45.587 45.100 0.105 0.000 0.670 419 G HN 0.316 nan 8.290 nan 0.000 0.528 420 L N 0.208 121.510 121.223 0.132 0.000 2.017 420 L HA 0.039 4.379 4.340 -0.000 0.000 0.208 420 L C 2.559 179.500 176.870 0.118 0.000 1.073 420 L CA 2.913 57.815 54.840 0.103 0.000 0.745 420 L CB -0.641 41.468 42.059 0.083 0.000 0.894 420 L HN 0.494 nan 8.230 nan 0.000 0.432 421 H N -2.049 117.051 119.070 0.050 0.000 2.321 421 H HA -0.208 4.348 4.556 -0.000 0.000 0.300 421 H C 2.184 177.562 175.328 0.083 0.000 1.087 421 H CA 1.813 57.894 56.048 0.055 0.000 1.319 421 H CB -0.106 29.689 29.762 0.055 0.000 1.379 421 H HN 0.505 nan 8.280 nan 0.000 0.501 422 H N 1.262 120.423 119.070 0.152 0.000 2.387 422 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 422 H C 2.425 177.784 175.328 0.053 0.000 1.090 422 H CA 1.704 57.803 56.048 0.085 0.000 1.332 422 H CB 0.084 29.877 29.762 0.051 0.000 1.386 422 H HN 0.189 nan 8.280 nan 0.000 0.516 423 K N 0.227 120.650 120.400 0.038 0.000 2.026 423 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 423 K C 2.115 178.683 176.600 -0.054 0.000 1.048 423 K CA 1.865 58.135 56.287 -0.028 0.000 0.929 423 K CB -0.220 32.288 32.500 0.014 0.000 0.713 423 K HN 0.340 nan 8.250 nan 0.000 0.439 424 I N 1.249 121.804 120.570 -0.026 0.000 2.286 424 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 424 I C 2.388 178.504 176.117 -0.002 0.000 1.115 424 I CA 0.532 61.818 61.300 -0.023 0.000 1.392 424 I CB -0.207 37.771 38.000 -0.037 0.000 1.065 424 I HN 0.240 nan 8.210 nan 0.000 0.418 425 L N 0.681 121.897 121.223 -0.013 0.000 2.046 425 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 425 L C 2.263 179.152 176.870 0.031 0.000 1.077 425 L CA 1.801 56.673 54.840 0.052 0.000 0.747 425 L CB -0.402 41.673 42.059 0.028 0.000 0.896 425 L HN 0.120 nan 8.230 nan 0.000 0.432 426 L N -0.756 120.368 121.223 -0.166 0.000 2.093 426 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 426 L C 2.647 179.512 176.870 -0.009 0.000 1.085 426 L CA 1.189 55.928 54.840 -0.167 0.000 0.755 426 L CB -0.799 41.111 42.059 -0.249 0.000 0.904 426 L HN 0.375 nan 8.230 nan 0.000 0.435 427 A N -0.166 122.647 122.820 -0.012 0.000 1.898 427 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 427 A C 2.111 179.715 177.584 0.033 0.000 1.181 427 A CA 1.695 53.732 52.037 -0.000 0.000 0.620 427 A CB -0.582 18.410 19.000 -0.014 0.000 0.819 427 A HN 0.433 nan 8.150 nan 0.000 0.442 428 N N -0.946 117.803 118.700 0.083 0.000 2.069 428 N HA -0.176 4.563 4.740 -0.000 0.000 0.191 428 N C 1.613 177.210 175.510 0.144 0.000 1.031 428 N CA 1.773 54.912 53.050 0.148 0.000 0.852 428 N CB -0.488 38.146 38.487 0.245 0.000 1.018 428 N HN 0.565 nan 8.380 nan 0.000 0.423 429 F N 1.866 121.745 119.950 -0.118 0.000 2.161 429 F HA -0.144 4.382 4.527 -0.000 0.000 0.300 429 F C 2.124 177.724 175.800 -0.333 0.000 1.089 429 F CA 1.165 58.877 58.000 -0.481 0.000 1.282 429 F CB -0.181 38.508 39.000 -0.518 0.000 1.010 429 F HN -0.049 nan 8.300 nan 0.000 0.485 430 L N -0.305 120.923 121.223 0.008 0.000 2.068 430 L HA -0.057 4.283 4.340 -0.000 0.000 0.204 430 L C 2.881 179.630 176.870 -0.202 0.000 1.076 430 L CA 0.959 55.740 54.840 -0.098 0.000 0.753 430 L CB -1.186 40.875 42.059 0.003 0.000 0.910 430 L HN 0.196 nan 8.230 nan 0.000 0.439 431 A N -0.465 122.285 122.820 -0.116 0.000 1.892 431 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 431 A C 2.256 179.768 177.584 -0.120 0.000 1.188 431 A CA 1.576 53.550 52.037 -0.105 0.000 0.631 431 A CB -0.518 18.451 19.000 -0.052 0.000 0.822 431 A HN 0.425 nan 8.150 nan 0.000 0.447 432 Q N -0.498 119.246 119.800 -0.094 0.000 2.061 432 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 432 Q C 2.429 178.285 176.000 -0.239 0.000 0.984 432 Q CA 2.413 58.208 55.803 -0.014 0.000 0.846 432 Q CB -1.139 27.750 28.738 0.251 0.000 0.902 432 Q HN 0.899 nan 8.270 nan 0.000 0.421 433 T N -1.472 112.727 114.554 -0.592 0.000 2.867 433 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 433 T C 1.712 176.215 174.700 -0.328 0.000 1.057 433 T CA 1.322 63.060 62.100 -0.602 0.000 1.136 433 T CB -0.108 68.297 68.868 -0.772 0.000 0.874 433 T HN 0.327 nan 8.240 nan 0.000 0.466 434 E N 1.579 121.611 120.200 -0.281 0.000 2.023 434 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 434 E C 2.537 179.044 176.600 -0.154 0.000 1.003 434 E CA 1.264 57.532 56.400 -0.220 0.000 0.809 434 E CB -0.490 29.094 29.700 -0.193 0.000 0.755 434 E HN 0.631 nan 8.360 nan 0.000 0.449 435 A N 0.782 123.540 122.820 -0.104 0.000 1.940 435 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 435 A C 2.211 179.822 177.584 0.044 0.000 1.176 435 A CA 1.212 53.217 52.037 -0.053 0.000 0.631 435 A CB -0.659 18.318 19.000 -0.038 0.000 0.814 435 A HN 0.313 nan 8.150 nan 0.000 0.446 436 L N -1.224 120.029 121.223 0.051 0.000 2.141 436 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 436 L C 2.822 179.693 176.870 0.003 0.000 1.094 436 L CA 1.190 56.046 54.840 0.027 0.000 0.763 436 L CB -0.310 41.679 42.059 -0.117 0.000 0.908 436 L HN 0.473 nan 8.230 nan 0.000 0.437 437 M N -0.613 118.955 119.600 -0.053 0.000 2.098 437 M HA -0.124 4.356 4.480 -0.000 0.000 0.262 437 M C 2.416 178.707 176.300 -0.014 0.000 1.072 437 M CA 1.702 56.973 55.300 -0.047 0.000 1.133 437 M CB -0.314 32.203 32.600 -0.138 0.000 1.344 437 M HN 0.170 nan 8.290 nan 0.000 0.414 438 R N 0.018 120.492 120.500 -0.043 0.000 2.100 438 R HA 0.134 4.474 4.340 -0.000 0.000 0.220 438 R C 1.392 177.699 176.300 0.012 0.000 1.091 438 R CA 0.873 56.956 56.100 -0.029 0.000 0.986 438 R CB -0.857 29.399 30.300 -0.073 0.000 0.888 438 R HN 0.582 nan 8.270 nan 0.000 0.444 439 G N 1.718 110.532 108.800 0.024 0.000 2.601 439 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.261 439 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.261 439 G C -0.506 174.396 174.900 0.003 0.000 1.289 439 G CA 0.289 45.445 45.100 0.094 0.000 0.920 439 G HN 0.322 nan 8.290 nan 0.000 0.571 440 K N -0.439 120.023 120.400 0.103 0.000 2.587 440 K HA 0.506 4.825 4.320 -0.000 0.000 0.256 440 K C 0.238 176.910 176.600 0.120 0.000 0.974 440 K CA 0.140 56.461 56.287 0.057 0.000 0.855 440 K CB 1.214 33.699 32.500 -0.026 0.000 1.292 440 K HN 1.367 nan 8.250 nan 0.000 0.444 441 S N 2.070 117.812 115.700 0.070 0.000 2.614 441 S HA 0.137 4.607 4.470 -0.000 0.000 0.265 441 S C 1.123 175.760 174.600 0.062 0.000 1.303 441 S CA 0.100 58.339 58.200 0.064 0.000 1.000 441 S CB 1.213 64.439 63.200 0.043 0.000 0.935 441 S HN 0.602 nan 8.310 nan 0.000 0.551 442 T N 1.492 116.077 114.554 0.051 0.000 2.607 442 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 442 T C 1.653 176.375 174.700 0.036 0.000 1.049 442 T CA 2.035 64.160 62.100 0.042 0.000 1.162 442 T CB -0.809 68.077 68.868 0.030 0.000 0.863 442 T HN 0.822 nan 8.240 nan 0.000 0.424 443 E N 1.128 121.346 120.200 0.029 0.000 2.049 443 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 443 E C 2.192 178.805 176.600 0.022 0.000 1.007 443 E CA 1.682 58.096 56.400 0.023 0.000 0.809 443 E CB -0.302 29.410 29.700 0.019 0.000 0.749 443 E HN 0.610 nan 8.360 nan 0.000 0.450 444 E N -0.930 119.283 120.200 0.023 0.000 2.085 444 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 444 E C 1.889 178.502 176.600 0.020 0.000 0.994 444 E CA 1.124 57.534 56.400 0.015 0.000 0.801 444 E CB -0.216 29.490 29.700 0.011 0.000 0.743 444 E HN 0.352 nan 8.360 nan 0.000 0.453 445 A N 1.122 123.965 122.820 0.038 0.000 1.873 445 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 445 A C 2.132 179.739 177.584 0.039 0.000 1.186 445 A CA 1.407 53.474 52.037 0.050 0.000 0.616 445 A CB -0.499 18.550 19.000 0.081 0.000 0.823 445 A HN 0.163 nan 8.150 nan 0.000 0.442 446 R N -0.267 120.254 120.500 0.034 0.000 2.083 446 R HA -0.224 4.116 4.340 -0.000 0.000 0.237 446 R C 2.100 178.412 176.300 0.020 0.000 1.137 446 R CA 2.095 58.211 56.100 0.027 0.000 0.951 446 R CB -0.259 30.055 30.300 0.024 0.000 0.851 446 R HN 0.375 nan 8.270 nan 0.000 0.434 447 K N 0.775 121.185 120.400 0.016 0.000 2.015 447 K HA -0.190 4.130 4.320 -0.000 0.000 0.216 447 K C 1.966 178.571 176.600 0.009 0.000 1.052 447 K CA 2.306 58.599 56.287 0.010 0.000 0.937 447 K CB -0.187 32.317 32.500 0.006 0.000 0.719 447 K HN 0.311 nan 8.250 nan 0.000 0.446 448 E N -0.338 119.868 120.200 0.010 0.000 2.130 448 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 448 E C 1.687 178.294 176.600 0.012 0.000 0.998 448 E CA 0.904 57.309 56.400 0.008 0.000 0.806 448 E CB -0.022 29.683 29.700 0.009 0.000 0.738 448 E HN 0.098 nan 8.360 nan 0.000 0.459 449 L N 0.734 121.968 121.223 0.018 0.000 2.109 449 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 449 L C 2.245 179.123 176.870 0.013 0.000 1.086 449 L CA 1.500 56.351 54.840 0.019 0.000 0.760 449 L CB -1.104 40.971 42.059 0.026 0.000 0.910 449 L HN 0.162 nan 8.230 nan 0.000 0.437 450 Q N -0.541 119.266 119.800 0.012 0.000 2.061 450 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 450 Q C 2.315 178.319 176.000 0.006 0.000 0.984 450 Q CA 1.903 57.712 55.803 0.009 0.000 0.846 450 Q CB -0.164 28.579 28.738 0.008 0.000 0.902 450 Q HN 0.524 nan 8.270 nan 0.000 0.421 451 A N 0.764 123.587 122.820 0.005 0.000 1.972 451 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 451 A C 2.179 179.764 177.584 0.002 0.000 1.169 451 A CA 1.447 53.485 52.037 0.002 0.000 0.635 451 A CB -0.595 18.405 19.000 -0.000 0.000 0.810 451 A HN 0.396 nan 8.150 nan 0.000 0.446 452 A N -1.482 121.339 122.820 0.003 0.000 2.168 452 A HA 0.379 4.699 4.320 -0.000 0.000 0.215 452 A C 1.692 179.277 177.584 0.002 0.000 1.152 452 A CA 1.253 53.292 52.037 0.003 0.000 0.716 452 A CB -0.993 18.009 19.000 0.005 0.000 0.794 452 A HN 1.974 nan 8.150 nan 0.000 0.465 453 G N -0.305 108.497 108.800 0.003 0.000 2.303 453 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.260 453 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.260 453 G C -0.323 174.580 174.900 0.004 0.000 1.106 453 G CA 0.073 45.175 45.100 0.003 0.000 0.900 453 G HN 0.332 nan 8.290 nan 0.000 0.495 454 K N 0.967 121.371 120.400 0.006 0.000 2.156 454 K HA 0.584 4.904 4.320 -0.000 0.000 0.271 454 K C 1.102 177.707 176.600 0.007 0.000 0.995 454 K CA -0.002 56.290 56.287 0.007 0.000 0.890 454 K CB 1.545 34.050 32.500 0.010 0.000 1.073 454 K HN 0.686 nan 8.250 nan 0.000 0.454 455 S N 1.944 117.647 115.700 0.006 0.000 2.569 455 S HA 0.054 4.524 4.470 -0.000 0.000 0.274 455 S C -1.658 172.947 174.600 0.009 0.000 1.353 455 S CA -0.780 57.424 58.200 0.006 0.000 1.023 455 S CB 0.193 63.396 63.200 0.005 0.000 0.876 455 S HN 0.308 nan 8.310 nan 0.000 0.540 456 P HA -0.132 nan 4.420 nan 0.000 0.216 456 P C 1.491 178.798 177.300 0.013 0.000 1.150 456 P CA 1.235 64.341 63.100 0.011 0.000 0.843 456 P CB 0.035 31.741 31.700 0.009 0.000 0.787 457 E N -0.174 120.033 120.200 0.011 0.000 2.013 457 E HA -0.223 4.127 4.350 -0.000 0.000 0.202 457 E C 1.684 178.293 176.600 0.015 0.000 1.018 457 E CA 1.857 58.264 56.400 0.012 0.000 0.834 457 E CB -0.686 29.019 29.700 0.008 0.000 0.770 457 E HN 0.238 nan 8.360 nan 0.000 0.459 458 D N 0.890 121.297 120.400 0.011 0.000 2.137 458 D HA -0.218 4.422 4.640 -0.000 0.000 0.189 458 D C 2.061 178.373 176.300 0.021 0.000 0.998 458 D CA 1.092 55.099 54.000 0.012 0.000 0.839 458 D CB -0.602 40.202 40.800 0.007 0.000 0.962 458 D HN 0.076 nan 8.370 nan 0.000 0.446 459 L N 0.703 121.939 121.223 0.021 0.000 1.997 459 L HA -0.333 4.006 4.340 -0.000 0.000 0.227 459 L C 2.179 179.071 176.870 0.037 0.000 1.087 459 L CA 1.970 56.826 54.840 0.028 0.000 0.797 459 L CB -0.292 41.781 42.059 0.022 0.000 0.902 459 L HN -0.043 nan 8.230 nan 0.000 0.441 460 E N -0.616 119.602 120.200 0.031 0.000 2.209 460 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 460 E C 2.156 178.785 176.600 0.048 0.000 0.993 460 E CA 1.027 57.447 56.400 0.033 0.000 0.819 460 E CB 0.018 29.732 29.700 0.024 0.000 0.745 460 E HN 0.277 nan 8.360 nan 0.000 0.477 461 R N -0.786 119.746 120.500 0.054 0.000 2.112 461 R HA 0.081 4.421 4.340 -0.000 0.000 0.216 461 R C 2.037 178.421 176.300 0.141 0.000 1.080 461 R CA 0.428 56.574 56.100 0.078 0.000 0.996 461 R CB -0.581 29.747 30.300 0.046 0.000 0.902 461 R HN 0.245 nan 8.270 nan 0.000 0.449 462 L N 0.819 122.105 121.223 0.105 0.000 2.209 462 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 462 L C 1.982 178.967 176.870 0.191 0.000 1.094 462 L CA 0.895 55.813 54.840 0.130 0.000 0.790 462 L CB -0.653 41.431 42.059 0.042 0.000 0.932 462 L HN 0.021 nan 8.230 nan 0.000 0.447 463 L N 1.395 122.686 121.223 0.114 0.000 2.026 463 L HA -0.223 4.117 4.340 -0.000 0.000 0.231 463 L C -0.622 176.290 176.870 0.070 0.000 1.095 463 L CA 2.829 57.718 54.840 0.081 0.000 0.810 463 L CB -2.019 40.071 42.059 0.052 0.000 0.909 463 L HN 0.256 nan 8.230 nan 0.000 0.444 464 P HA -0.159 nan 4.420 nan 0.000 0.225 464 P C 0.974 178.186 177.300 -0.148 0.000 1.148 464 P CA 1.784 64.837 63.100 -0.079 0.000 0.779 464 P CB -0.334 31.277 31.700 -0.149 0.000 0.780 465 H N -0.103 118.957 119.070 -0.018 0.000 2.470 465 H HA 0.074 4.630 4.556 -0.000 0.000 0.289 465 H C 1.668 176.964 175.328 -0.054 0.000 1.033 465 H CA 0.992 57.015 56.048 -0.042 0.000 1.331 465 H CB -0.069 29.678 29.762 -0.026 0.000 1.414 465 H HN 0.014 nan 8.280 nan 0.000 0.545 466 K N 0.877 121.347 120.400 0.116 0.000 2.458 466 K HA 0.138 4.458 4.320 -0.000 0.000 0.194 466 K C -0.206 176.519 176.600 0.208 0.000 1.024 466 K CA 0.089 56.466 56.287 0.149 0.000 1.108 466 K CB 0.633 33.224 32.500 0.152 0.000 0.846 466 K HN 0.075 nan 8.250 nan 0.000 0.518 467 V N 1.736 121.697 119.914 0.079 0.000 2.567 467 V HA 0.271 4.390 4.120 -0.000 0.000 0.289 467 V C -0.313 175.810 176.094 0.048 0.000 1.049 467 V CA -0.471 61.910 62.300 0.135 0.000 0.969 467 V CB 0.608 32.462 31.823 0.051 0.000 0.995 467 V HN -0.031 nan 8.190 nan 0.000 0.471 468 F N 1.971 121.934 119.950 0.021 0.000 2.499 468 F HA 0.430 4.957 4.527 -0.000 0.000 0.333 468 F C 1.126 176.951 175.800 0.042 0.000 1.138 468 F CA -0.778 57.246 58.000 0.040 0.000 0.945 468 F CB 1.685 40.710 39.000 0.042 0.000 1.181 468 F HN 0.549 nan 8.300 nan 0.000 0.435 469 E N 2.133 122.435 120.200 0.170 0.000 2.478 469 E HA 0.127 4.477 4.350 -0.000 0.000 0.198 469 E C 1.604 178.284 176.600 0.134 0.000 1.046 469 E CA 0.372 56.846 56.400 0.123 0.000 0.870 469 E CB 0.052 29.798 29.700 0.077 0.000 0.818 469 E HN 0.939 nan 8.360 nan 0.000 0.527 470 G N 2.355 111.264 108.800 0.181 0.000 2.574 470 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.295 470 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.295 470 G C 0.382 175.343 174.900 0.102 0.000 1.300 470 G CA 0.341 45.527 45.100 0.143 0.000 0.944 470 G HN 0.397 nan 8.290 nan 0.000 0.551 471 N N -1.878 116.873 118.700 0.085 0.000 2.850 471 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 471 N C 0.291 175.835 175.510 0.056 0.000 1.060 471 N CA 1.919 55.021 53.050 0.086 0.000 0.825 471 N CB -0.833 37.717 38.487 0.104 0.000 1.132 471 N HN 0.887 nan 8.380 nan 0.000 0.564 472 R N 0.906 121.424 120.500 0.029 0.000 2.196 472 R HA 0.356 4.696 4.340 -0.000 0.000 0.340 472 R C -2.166 174.110 176.300 -0.041 0.000 1.043 472 R CA -1.354 54.732 56.100 -0.024 0.000 0.883 472 R CB 0.933 31.216 30.300 -0.029 0.000 1.078 472 R HN 0.209 nan 8.270 nan 0.000 0.462 473 P HA 0.100 nan 4.420 nan 0.000 0.278 473 P C -0.639 176.643 177.300 -0.031 0.000 1.238 473 P CA -0.276 62.819 63.100 -0.008 0.000 0.794 473 P CB 1.648 33.374 31.700 0.044 0.000 0.955 474 T N -0.695 113.877 114.554 0.030 0.000 2.838 474 T HA 0.512 4.861 4.350 -0.000 0.000 0.292 474 T C -0.550 174.236 174.700 0.144 0.000 1.113 474 T CA -0.843 61.291 62.100 0.057 0.000 1.008 474 T CB 1.342 70.180 68.868 -0.049 0.000 1.259 474 T HN 0.236 nan 8.240 nan 0.000 0.520 475 N N 0.290 119.108 118.700 0.197 0.000 2.296 475 N HA 0.574 5.314 4.740 -0.000 0.000 0.294 475 N C -1.442 174.215 175.510 0.245 0.000 1.033 475 N CA -0.518 52.688 53.050 0.260 0.000 0.839 475 N CB 2.301 40.976 38.487 0.313 0.000 1.395 475 N HN 0.616 nan 8.380 nan 0.000 0.479 476 S N 1.883 117.729 115.700 0.243 0.000 2.498 476 S HA 0.566 5.036 4.470 -0.000 0.000 0.317 476 S C -0.021 174.806 174.600 0.378 0.000 1.090 476 S CA -0.529 57.841 58.200 0.284 0.000 1.089 476 S CB 0.528 63.841 63.200 0.188 0.000 0.997 476 S HN 0.345 nan 8.310 nan 0.000 0.470 477 I N 3.768 124.608 120.570 0.451 0.000 2.382 477 I HA 0.426 4.596 4.170 -0.000 0.000 0.285 477 I C -0.822 175.530 176.117 0.392 0.000 1.007 477 I CA -0.631 60.920 61.300 0.419 0.000 1.142 477 I CB 1.417 39.681 38.000 0.439 0.000 1.289 477 I HN 0.226 nan 8.210 nan 0.000 0.453 478 V N 7.168 127.248 119.914 0.277 0.000 2.540 478 V HA 0.561 4.681 4.120 -0.000 0.000 0.302 478 V C -0.542 175.618 176.094 0.110 0.000 1.035 478 V CA -0.656 61.648 62.300 0.007 0.000 0.873 478 V CB 1.590 33.400 31.823 -0.020 0.000 0.992 478 V HN 0.530 nan 8.190 nan 0.000 0.428 479 F N 0.277 120.258 119.950 0.052 0.000 2.576 479 F HA 0.616 5.143 4.527 -0.000 0.000 0.313 479 F C 1.145 176.977 175.800 0.053 0.000 1.078 479 F CA -0.803 57.235 58.000 0.063 0.000 0.921 479 F CB 1.116 40.154 39.000 0.062 0.000 1.232 479 F HN 0.312 nan 8.300 nan 0.000 0.459 480 T N -0.337 114.348 114.554 0.219 0.000 2.597 480 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 480 T C 0.276 175.043 174.700 0.112 0.000 1.053 480 T CA 1.869 64.045 62.100 0.127 0.000 1.165 480 T CB -0.211 68.741 68.868 0.140 0.000 0.863 480 T HN 0.620 nan 8.240 nan 0.000 0.427 481 K N -0.295 120.234 120.400 0.216 0.000 2.572 481 K HA 0.384 4.704 4.320 -0.000 0.000 0.263 481 K C -2.125 174.660 176.600 0.307 0.000 0.932 481 K CA -0.739 55.668 56.287 0.200 0.000 0.838 481 K CB 1.465 34.039 32.500 0.124 0.000 1.366 481 K HN -0.076 nan 8.250 nan 0.000 0.425 482 L N 4.214 125.624 121.223 0.312 0.000 2.375 482 L HA 0.249 4.589 4.340 -0.000 0.000 0.276 482 L C -0.382 176.594 176.870 0.176 0.000 1.162 482 L CA 0.432 55.433 54.840 0.268 0.000 0.991 482 L CB -0.135 42.114 42.059 0.316 0.000 1.315 482 L HN 0.688 nan 8.230 nan 0.000 0.431 483 T N 0.998 115.611 114.554 0.098 0.000 2.936 483 T HA 0.511 4.861 4.350 -0.000 0.000 0.282 483 T C -1.839 172.770 174.700 -0.153 0.000 1.003 483 T CA -1.889 60.184 62.100 -0.044 0.000 1.005 483 T CB 1.150 70.018 68.868 -0.000 0.000 1.097 483 T HN 0.153 nan 8.240 nan 0.000 0.532 484 P HA -0.073 nan 4.420 nan 0.000 0.216 484 P C 1.155 178.399 177.300 -0.094 0.000 1.153 484 P CA 0.921 63.874 63.100 -0.245 0.000 0.858 484 P CB -0.105 31.399 31.700 -0.328 0.000 0.789 485 F N -0.824 119.015 119.950 -0.186 0.000 2.163 485 F HA -0.136 4.391 4.527 -0.000 0.000 0.297 485 F C 2.230 177.974 175.800 -0.094 0.000 1.094 485 F CA 1.246 59.161 58.000 -0.141 0.000 1.290 485 F CB -0.461 38.418 39.000 -0.201 0.000 1.017 485 F HN -0.219 nan 8.300 nan 0.000 0.483 486 M N 0.303 120.001 119.600 0.163 0.000 2.117 486 M HA -0.107 4.373 4.480 -0.000 0.000 0.262 486 M C 1.957 178.189 176.300 -0.114 0.000 1.065 486 M CA 1.522 56.847 55.300 0.042 0.000 1.114 486 M CB -0.901 31.737 32.600 0.065 0.000 1.361 486 M HN 0.325 nan 8.290 nan 0.000 0.408 487 L N -0.020 121.147 121.223 -0.095 0.000 2.017 487 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 487 L C 2.208 179.094 176.870 0.027 0.000 1.073 487 L CA 2.356 57.155 54.840 -0.068 0.000 0.745 487 L CB -1.551 40.476 42.059 -0.054 0.000 0.894 487 L HN 0.400 nan 8.230 nan 0.000 0.432 488 G N -1.143 107.659 108.800 0.003 0.000 2.442 488 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 488 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 488 G C 1.570 176.513 174.900 0.071 0.000 1.141 488 G CA 0.881 46.059 45.100 0.129 0.000 0.763 488 G HN 0.655 nan 8.290 nan 0.000 0.554 489 A N 0.233 123.000 122.820 -0.088 0.000 1.929 489 A HA 0.225 4.544 4.320 -0.000 0.000 0.216 489 A C 2.428 180.065 177.584 0.088 0.000 1.176 489 A CA 1.021 53.048 52.037 -0.017 0.000 0.628 489 A CB -0.280 18.671 19.000 -0.082 0.000 0.816 489 A HN 0.350 nan 8.150 nan 0.000 0.444 490 L N -0.667 120.599 121.223 0.073 0.000 2.044 490 L HA -0.120 4.220 4.340 -0.000 0.000 0.205 490 L C 2.524 179.640 176.870 0.409 0.000 1.075 490 L CA 0.908 55.842 54.840 0.157 0.000 0.747 490 L CB -0.588 41.472 42.059 0.001 0.000 0.903 490 L HN 0.220 nan 8.230 nan 0.000 0.435 491 V N 0.343 120.546 119.914 0.482 0.000 2.332 491 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 491 V C 2.733 179.204 176.094 0.628 0.000 1.055 491 V CA 1.985 64.705 62.300 0.700 0.000 1.038 491 V CB -0.908 31.230 31.823 0.525 0.000 0.651 491 V HN 0.498 nan 8.190 nan 0.000 0.450 492 A N -0.875 122.177 122.820 0.386 0.000 1.969 492 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 492 A C 2.236 179.856 177.584 0.060 0.000 1.169 492 A CA 1.998 54.120 52.037 0.141 0.000 0.635 492 A CB -0.483 18.502 19.000 -0.025 0.000 0.810 492 A HN 0.536 nan 8.150 nan 0.000 0.445 493 M N -1.601 118.073 119.600 0.123 0.000 2.065 493 M HA -0.225 4.255 4.480 -0.000 0.000 0.259 493 M C 1.985 178.228 176.300 -0.095 0.000 1.069 493 M CA 2.059 57.369 55.300 0.017 0.000 1.110 493 M CB -0.333 32.240 32.600 -0.045 0.000 1.328 493 M HN 0.497 nan 8.290 nan 0.000 0.405 494 Y N 0.632 120.899 120.300 -0.056 0.000 2.274 494 Y HA -0.209 4.341 4.550 -0.000 0.000 0.290 494 Y C 2.263 178.137 175.900 -0.044 0.000 1.145 494 Y CA 1.778 59.713 58.100 -0.274 0.000 1.203 494 Y CB -0.296 37.488 38.460 -1.126 0.000 0.984 494 Y HN 0.387 nan 8.280 nan 0.000 0.533 495 E N -0.810 119.552 120.200 0.269 0.000 2.085 495 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 495 E C 1.781 178.460 176.600 0.133 0.000 0.994 495 E CA 1.443 58.021 56.400 0.297 0.000 0.801 495 E CB -0.194 29.622 29.700 0.192 0.000 0.743 495 E HN 0.585 nan 8.360 nan 0.000 0.453 496 H N 0.321 119.413 119.070 0.036 0.000 2.470 496 H HA 0.001 4.557 4.556 -0.000 0.000 0.289 496 H C 1.976 177.214 175.328 -0.151 0.000 1.033 496 H CA 0.906 56.809 56.048 -0.242 0.000 1.331 496 H CB -0.011 29.212 29.762 -0.898 0.000 1.414 496 H HN 0.115 nan 8.280 nan 0.000 0.545 497 K N 1.184 121.580 120.400 -0.006 0.000 2.032 497 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 497 K C 2.077 178.703 176.600 0.044 0.000 1.048 497 K CA 1.318 57.590 56.287 -0.025 0.000 0.927 497 K CB -0.178 32.274 32.500 -0.080 0.000 0.712 497 K HN 0.121 nan 8.250 nan 0.000 0.441 498 I N 0.640 121.288 120.570 0.130 0.000 2.208 498 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 498 I C 2.318 178.549 176.117 0.190 0.000 1.097 498 I CA 1.190 62.589 61.300 0.165 0.000 1.363 498 I CB -0.294 37.854 38.000 0.248 0.000 1.051 498 I HN 0.208 nan 8.210 nan 0.000 0.413 499 F N 1.028 121.067 119.950 0.147 0.000 2.134 499 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 499 F C 2.301 178.191 175.800 0.151 0.000 1.097 499 F CA 1.557 59.693 58.000 0.225 0.000 1.264 499 F CB -0.462 38.778 39.000 0.400 0.000 1.001 499 F HN -0.221 nan 8.300 nan 0.000 0.479 500 V N 0.571 120.498 119.914 0.021 0.000 2.343 500 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 500 V C 2.356 178.282 176.094 -0.279 0.000 1.051 500 V CA 2.264 64.481 62.300 -0.139 0.000 1.036 500 V CB -0.811 31.016 31.823 0.006 0.000 0.654 500 V HN 0.408 nan 8.190 nan 0.000 0.451 501 Q N -0.143 119.476 119.800 -0.302 0.000 2.170 501 Q HA -0.132 4.208 4.340 -0.000 0.000 0.203 501 Q C 2.346 177.987 176.000 -0.599 0.000 0.976 501 Q CA 1.576 56.988 55.803 -0.652 0.000 0.858 501 Q CB -0.443 27.889 28.738 -0.676 0.000 0.907 501 Q HN 0.733 nan 8.270 nan 0.000 0.433 502 G N 0.850 109.539 108.800 -0.185 0.000 2.403 502 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 502 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 502 G C 1.391 176.287 174.900 -0.007 0.000 1.154 502 G CA 0.259 45.388 45.100 0.048 0.000 0.784 502 G HN 0.145 nan 8.290 nan 0.000 0.538 503 I N 1.185 121.641 120.570 -0.189 0.000 2.179 503 I HA -0.082 4.088 4.170 -0.000 0.000 0.242 503 I C 2.781 178.830 176.117 -0.114 0.000 1.088 503 I CA 0.846 62.051 61.300 -0.157 0.000 1.357 503 I CB -0.954 36.859 38.000 -0.311 0.000 1.051 503 I HN 0.172 nan 8.210 nan 0.000 0.409 504 I N -0.667 119.767 120.570 -0.226 0.000 2.264 504 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 504 I C 2.268 178.287 176.117 -0.163 0.000 1.111 504 I CA 1.254 62.400 61.300 -0.258 0.000 1.382 504 I CB -0.363 37.375 38.000 -0.436 0.000 1.060 504 I HN 0.325 nan 8.210 nan 0.000 0.418 505 W N 0.505 121.758 121.300 -0.079 0.000 2.800 505 W HA -0.050 4.610 4.660 -0.000 0.000 0.249 505 W C 0.945 177.493 176.519 0.049 0.000 1.294 505 W CA 0.653 57.974 57.345 -0.039 0.000 1.402 505 W CB -0.941 28.553 29.460 0.056 0.000 1.126 505 W HN 0.295 nan 8.180 nan 0.000 0.652 506 D N -0.231 120.297 120.400 0.214 0.000 2.981 506 D HA -0.218 4.422 4.640 -0.000 0.000 0.223 506 D C -0.228 176.223 176.300 0.251 0.000 1.151 506 D CA 1.061 55.172 54.000 0.185 0.000 0.827 506 D CB -1.476 39.408 40.800 0.140 0.000 1.101 506 D HN 0.217 nan 8.370 nan 0.000 0.426 507 I N -3.400 117.343 120.570 0.288 0.000 2.947 507 I HA 0.552 4.722 4.170 -0.000 0.000 0.314 507 I C 0.423 176.698 176.117 0.264 0.000 1.028 507 I CA -1.050 60.418 61.300 0.280 0.000 1.077 507 I CB 1.006 39.149 38.000 0.239 0.000 1.274 507 I HN -0.111 nan 8.210 nan 0.000 0.485 508 N N 1.538 120.342 118.700 0.174 0.000 2.420 508 N HA 0.246 4.985 4.740 -0.000 0.000 0.249 508 N C 0.049 175.552 175.510 -0.012 0.000 1.033 508 N CA 0.046 53.098 53.050 0.004 0.000 0.944 508 N CB 1.025 39.375 38.487 -0.228 0.000 1.113 508 N HN 0.675 nan 8.380 nan 0.000 0.502 509 S N 2.592 118.211 115.700 -0.136 0.000 2.562 509 S HA 0.124 4.594 4.470 -0.000 0.000 0.221 509 S C 0.495 174.658 174.600 -0.729 0.000 0.975 509 S CA 0.263 58.163 58.200 -0.500 0.000 0.918 509 S CB -0.135 62.584 63.200 -0.802 0.000 0.772 509 S HN 0.602 nan 8.310 nan 0.000 0.531 510 F N 1.236 121.253 119.950 0.111 0.000 2.706 510 F HA 0.286 4.813 4.527 -0.000 0.000 0.313 510 F C 0.526 176.337 175.800 0.018 0.000 1.096 510 F CA -0.900 57.169 58.000 0.114 0.000 1.219 510 F CB 0.284 39.347 39.000 0.104 0.000 1.051 510 F HN 0.079 nan 8.300 nan 0.000 0.568 511 D N -0.243 120.173 120.400 0.027 0.000 2.494 511 D HA 0.375 5.015 4.640 -0.000 0.000 0.259 511 D C -0.219 175.966 176.300 -0.192 0.000 1.109 511 D CA -0.644 53.253 54.000 -0.172 0.000 1.040 511 D CB 0.756 41.392 40.800 -0.273 0.000 1.175 511 D HN 0.026 nan 8.370 nan 0.000 0.584 512 Q N -0.451 119.129 119.800 -0.366 0.000 3.693 512 Q HA 0.109 4.448 4.340 -0.000 0.000 0.226 512 Q C -0.798 175.086 176.000 -0.194 0.000 0.757 512 Q CA -0.548 55.140 55.803 -0.191 0.000 0.891 512 Q CB -1.330 27.330 28.738 -0.130 0.000 1.561 512 Q HN 0.763 nan 8.270 nan 0.000 0.390 513 W N 1.132 122.462 121.300 0.050 0.000 2.425 513 W HA 0.072 4.732 4.660 -0.000 0.000 0.277 513 W C 1.988 178.534 176.519 0.045 0.000 1.231 513 W CA 1.130 58.505 57.345 0.050 0.000 1.248 513 W CB 0.172 29.667 29.460 0.058 0.000 1.117 513 W HN 0.648 nan 8.180 nan 0.000 0.568 514 G N 0.473 109.403 108.800 0.216 0.000 2.653 514 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.212 514 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.212 514 G C 1.262 176.214 174.900 0.087 0.000 1.138 514 G CA 1.171 46.357 45.100 0.143 0.000 0.782 514 G HN 0.321 nan 8.290 nan 0.000 0.535 515 V N -2.681 117.281 119.914 0.079 0.000 2.949 515 V HA 0.242 4.362 4.120 -0.000 0.000 0.245 515 V C 2.061 178.197 176.094 0.069 0.000 1.086 515 V CA 1.437 63.765 62.300 0.047 0.000 1.097 515 V CB -0.019 31.813 31.823 0.014 0.000 0.762 515 V HN 0.289 nan 8.190 nan 0.000 0.470 516 E N 0.526 120.798 120.200 0.119 0.000 2.033 516 E HA -0.271 4.079 4.350 -0.000 0.000 0.199 516 E C 2.031 178.685 176.600 0.091 0.000 1.011 516 E CA 2.268 58.744 56.400 0.127 0.000 0.815 516 E CB -0.361 29.465 29.700 0.211 0.000 0.755 516 E HN 0.547 nan 8.360 nan 0.000 0.451 517 L N 0.497 121.773 121.223 0.090 0.000 1.991 517 L HA -0.213 4.127 4.340 -0.000 0.000 0.221 517 L C 2.100 178.999 176.870 0.049 0.000 1.079 517 L CA 2.772 57.650 54.840 0.064 0.000 0.778 517 L CB -1.328 40.765 42.059 0.057 0.000 0.893 517 L HN 0.282 nan 8.230 nan 0.000 0.437 518 G N -0.891 107.933 108.800 0.040 0.000 2.639 518 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.216 518 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.216 518 G C 1.572 176.490 174.900 0.030 0.000 1.267 518 G CA 1.116 46.233 45.100 0.028 0.000 0.801 518 G HN 0.484 nan 8.290 nan 0.000 0.592 519 K N 0.079 120.497 120.400 0.030 0.000 2.137 519 K HA -0.324 3.996 4.320 -0.000 0.000 0.216 519 K C 2.699 179.319 176.600 0.034 0.000 1.052 519 K CA 2.197 58.501 56.287 0.029 0.000 0.939 519 K CB -0.370 32.150 32.500 0.033 0.000 0.724 519 K HN 0.484 nan 8.250 nan 0.000 0.465 520 Q N 0.392 120.218 119.800 0.043 0.000 2.030 520 Q HA -0.116 4.223 4.340 -0.000 0.000 0.204 520 Q C 2.305 178.331 176.000 0.044 0.000 0.986 520 Q CA 1.319 57.149 55.803 0.044 0.000 0.843 520 Q CB -0.144 28.623 28.738 0.048 0.000 0.904 520 Q HN 0.352 nan 8.270 nan 0.000 0.420 521 L N 0.003 121.253 121.223 0.046 0.000 2.191 521 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 521 L C 2.420 179.317 176.870 0.046 0.000 1.103 521 L CA 0.773 55.646 54.840 0.056 0.000 0.769 521 L CB -0.620 41.470 42.059 0.052 0.000 0.908 521 L HN 0.247 nan 8.230 nan 0.000 0.438 522 A N -0.031 122.807 122.820 0.030 0.000 1.898 522 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 522 A C 2.287 179.886 177.584 0.026 0.000 1.181 522 A CA 1.506 53.554 52.037 0.019 0.000 0.620 522 A CB -0.299 18.708 19.000 0.012 0.000 0.819 522 A HN 0.134 nan 8.150 nan 0.000 0.442 523 K N 0.411 120.829 120.400 0.030 0.000 2.063 523 K HA -0.087 4.232 4.320 -0.000 0.000 0.208 523 K C 1.946 178.569 176.600 0.039 0.000 1.048 523 K CA 1.709 58.014 56.287 0.030 0.000 0.928 523 K CB -0.222 32.295 32.500 0.029 0.000 0.713 523 K HN 0.517 nan 8.250 nan 0.000 0.442 524 K N -0.285 120.147 120.400 0.053 0.000 2.026 524 K HA -0.064 4.256 4.320 -0.000 0.000 0.208 524 K C 2.161 178.812 176.600 0.086 0.000 1.048 524 K CA 1.511 57.841 56.287 0.071 0.000 0.929 524 K CB -0.184 32.374 32.500 0.097 0.000 0.713 524 K HN 0.136 nan 8.250 nan 0.000 0.439 525 I N 1.378 121.996 120.570 0.081 0.000 2.546 525 I HA -0.208 3.962 4.170 -0.000 0.000 0.255 525 I C 2.013 178.149 176.117 0.032 0.000 1.163 525 I CA 0.902 62.237 61.300 0.057 0.000 1.457 525 I CB -0.077 37.917 38.000 -0.010 0.000 1.092 525 I HN 0.219 nan 8.210 nan 0.000 0.434 526 E N 1.288 121.503 120.200 0.026 0.000 2.048 526 E HA -0.248 4.102 4.350 -0.000 0.000 0.202 526 E C -0.574 176.038 176.600 0.021 0.000 1.021 526 E CA 1.754 58.164 56.400 0.018 0.000 0.825 526 E CB -1.470 28.239 29.700 0.016 0.000 0.756 526 E HN 0.461 nan 8.360 nan 0.000 0.454 527 P HA -0.173 nan 4.420 nan 0.000 0.216 527 P C 0.648 177.965 177.300 0.028 0.000 1.150 527 P CA 1.419 64.534 63.100 0.025 0.000 0.837 527 P CB -0.101 31.614 31.700 0.026 0.000 0.786 528 E N -0.463 119.762 120.200 0.041 0.000 2.472 528 E HA -0.047 4.303 4.350 -0.000 0.000 0.200 528 E C 1.966 178.584 176.600 0.030 0.000 1.046 528 E CA 0.333 56.761 56.400 0.047 0.000 0.871 528 E CB -0.448 29.304 29.700 0.087 0.000 0.806 528 E HN 0.338 nan 8.360 nan 0.000 0.533 529 L N 0.741 121.975 121.223 0.019 0.000 2.307 529 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 529 L C 0.531 177.405 176.870 0.006 0.000 1.099 529 L CA 0.179 55.024 54.840 0.009 0.000 0.816 529 L CB 0.118 42.179 42.059 0.004 0.000 0.952 529 L HN -0.005 nan 8.230 nan 0.000 0.455 530 D N 1.481 121.886 120.400 0.009 0.000 2.371 530 D HA 0.394 5.034 4.640 -0.000 0.000 0.256 530 D C 0.561 176.865 176.300 0.006 0.000 1.193 530 D CA 0.985 54.988 54.000 0.006 0.000 0.881 530 D CB 1.131 41.935 40.800 0.007 0.000 1.143 530 D HN 0.277 nan 8.370 nan 0.000 0.473 531 G N 1.196 109.997 108.800 0.002 0.000 2.497 531 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.686 531 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.686 531 G C 0.388 175.288 174.900 -0.001 0.000 1.288 531 G CA -0.057 45.044 45.100 0.002 0.000 0.899 531 G HN 0.385 nan 8.290 nan 0.000 0.608 532 S N -0.766 114.933 115.700 -0.001 0.000 2.540 532 S HA 0.616 5.086 4.470 -0.000 0.000 0.218 532 S C 1.180 175.782 174.600 0.003 0.000 0.977 532 S CA 1.225 59.423 58.200 -0.003 0.000 0.918 532 S CB 0.624 63.821 63.200 -0.006 0.000 0.806 532 S HN 2.199 nan 8.310 nan 0.000 0.496 533 A N 2.077 124.901 122.820 0.007 0.000 2.450 533 A HA 0.325 4.645 4.320 -0.000 0.000 0.255 533 A C 0.379 177.973 177.584 0.018 0.000 1.096 533 A CA -0.339 51.705 52.037 0.012 0.000 0.778 533 A CB 0.097 19.105 19.000 0.013 0.000 1.031 533 A HN 0.519 nan 8.150 nan 0.000 0.494 534 Q N 1.255 121.068 119.800 0.020 0.000 2.313 534 Q HA 0.295 4.635 4.340 -0.000 0.000 0.266 534 Q C -0.533 175.489 176.000 0.036 0.000 0.989 534 Q CA -0.120 55.699 55.803 0.028 0.000 0.890 534 Q CB 1.158 29.912 28.738 0.027 0.000 1.200 534 Q HN 0.538 nan 8.270 nan 0.000 0.396 535 V N 2.530 122.474 119.914 0.049 0.000 2.509 535 V HA 0.168 4.288 4.120 -0.000 0.000 0.284 535 V C 0.979 177.120 176.094 0.080 0.000 1.047 535 V CA 0.132 62.476 62.300 0.073 0.000 0.952 535 V CB 1.350 33.233 31.823 0.100 0.000 0.988 535 V HN 1.039 nan 8.190 nan 0.000 0.469 536 T N -2.083 112.516 114.554 0.076 0.000 3.087 536 T HA 0.005 4.355 4.350 -0.000 0.000 0.283 536 T C 1.235 175.967 174.700 0.053 0.000 0.956 536 T CA 0.437 62.574 62.100 0.062 0.000 0.894 536 T CB 0.107 68.996 68.868 0.035 0.000 1.160 536 T HN 0.647 nan 8.240 nan 0.000 0.532 537 S N 0.650 116.379 115.700 0.048 0.000 2.603 537 S HA 0.153 4.623 4.470 -0.000 0.000 0.220 537 S C 0.515 174.993 174.600 -0.204 0.000 0.967 537 S CA -0.416 57.739 58.200 -0.075 0.000 0.920 537 S CB -0.633 62.483 63.200 -0.140 0.000 0.773 537 S HN 0.677 nan 8.310 nan 0.000 0.529 538 H N 1.221 120.295 119.070 0.007 0.000 2.896 538 H HA 0.339 4.895 4.556 -0.000 0.000 0.318 538 H C -0.585 174.746 175.328 0.004 0.000 1.409 538 H CA -0.524 55.527 56.048 0.006 0.000 1.328 538 H CB 0.517 30.283 29.762 0.007 0.000 1.940 538 H HN 0.411 nan 8.280 nan 0.000 0.665 539 D N -0.461 120.029 120.400 0.149 0.000 2.370 539 D HA 0.070 4.710 4.640 -0.000 0.000 0.235 539 D C 1.080 177.422 176.300 0.070 0.000 1.228 539 D CA 0.213 54.259 54.000 0.077 0.000 0.884 539 D CB 0.709 41.542 40.800 0.056 0.000 1.201 539 D HN 0.535 nan 8.370 nan 0.000 0.456 540 A N 1.030 123.873 122.820 0.039 0.000 1.972 540 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 540 A C 2.205 179.800 177.584 0.019 0.000 1.169 540 A CA 1.775 53.830 52.037 0.030 0.000 0.635 540 A CB -1.064 17.946 19.000 0.017 0.000 0.810 540 A HN 0.559 nan 8.150 nan 0.000 0.446 541 S N -0.812 114.893 115.700 0.008 0.000 2.343 541 S HA -0.151 4.319 4.470 -0.000 0.000 0.219 541 S C 2.099 176.690 174.600 -0.015 0.000 1.033 541 S CA 2.248 60.442 58.200 -0.010 0.000 1.014 541 S CB -0.710 62.479 63.200 -0.017 0.000 0.915 541 S HN 0.590 nan 8.310 nan 0.000 0.435 542 T N 2.936 117.479 114.554 -0.018 0.000 2.699 542 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 542 T C 1.732 176.398 174.700 -0.057 0.000 1.036 542 T CA 1.594 63.653 62.100 -0.069 0.000 1.147 542 T CB -0.610 68.188 68.868 -0.117 0.000 0.862 542 T HN 0.424 nan 8.240 nan 0.000 0.446 543 N N 0.998 119.704 118.700 0.011 0.000 2.084 543 N HA -0.036 4.704 4.740 -0.000 0.000 0.190 543 N C 2.247 177.777 175.510 0.032 0.000 1.030 543 N CA 1.390 54.464 53.050 0.040 0.000 0.849 543 N CB -0.961 37.567 38.487 0.069 0.000 1.012 543 N HN 0.495 nan 8.380 nan 0.000 0.423 544 G N 1.412 110.227 108.800 0.024 0.000 2.418 544 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 544 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 544 G C 1.732 176.663 174.900 0.052 0.000 1.158 544 G CA 0.443 45.560 45.100 0.030 0.000 0.771 544 G HN 0.206 nan 8.290 nan 0.000 0.545 545 L N 0.047 121.285 121.223 0.026 0.000 2.005 545 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 545 L C 2.853 179.782 176.870 0.099 0.000 1.072 545 L CA 0.760 55.633 54.840 0.055 0.000 0.744 545 L CB -0.438 41.623 42.059 0.004 0.000 0.895 545 L HN 0.152 nan 8.230 nan 0.000 0.433 546 I N 0.240 120.832 120.570 0.037 0.000 2.151 546 I HA -0.357 3.813 4.170 -0.000 0.000 0.243 546 I C 2.223 178.374 176.117 0.058 0.000 1.080 546 I CA 1.415 62.732 61.300 0.029 0.000 1.339 546 I CB -0.434 37.563 38.000 -0.005 0.000 1.039 546 I HN 0.394 nan 8.210 nan 0.000 0.409 547 N N 0.354 119.097 118.700 0.073 0.000 2.309 547 N HA -0.183 4.557 4.740 -0.000 0.000 0.182 547 N C 1.706 177.281 175.510 0.109 0.000 1.018 547 N CA 1.130 54.224 53.050 0.073 0.000 0.876 547 N CB -0.412 38.116 38.487 0.069 0.000 0.972 547 N HN 0.330 nan 8.380 nan 0.000 0.434 548 F N 1.431 121.376 119.950 -0.009 0.000 2.186 548 F HA 0.058 4.585 4.527 -0.000 0.000 0.299 548 F C 2.003 177.798 175.800 -0.008 0.000 1.090 548 F CA 0.710 58.705 58.000 -0.008 0.000 1.307 548 F CB -0.152 38.842 39.000 -0.010 0.000 1.019 548 F HN -0.114 nan 8.300 nan 0.000 0.489 549 I N 0.444 121.041 120.570 0.045 0.000 2.179 549 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 549 I C 2.373 178.424 176.117 -0.110 0.000 1.088 549 I CA 1.469 62.733 61.300 -0.060 0.000 1.357 549 I CB -0.450 37.566 38.000 0.027 0.000 1.051 549 I HN 0.038 nan 8.210 nan 0.000 0.409 550 K N 0.168 120.534 120.400 -0.055 0.000 2.063 550 K HA -0.278 4.042 4.320 -0.000 0.000 0.208 550 K C 2.152 178.702 176.600 -0.083 0.000 1.048 550 K CA 1.658 57.915 56.287 -0.051 0.000 0.928 550 K CB -0.221 32.268 32.500 -0.018 0.000 0.713 550 K HN 0.401 nan 8.250 nan 0.000 0.442 551 Q N 0.592 120.326 119.800 -0.111 0.000 2.016 551 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 551 Q C 1.894 177.779 176.000 -0.192 0.000 0.978 551 Q CA 1.218 56.945 55.803 -0.127 0.000 0.833 551 Q CB 0.135 28.809 28.738 -0.106 0.000 0.895 551 Q HN 0.181 nan 8.270 nan 0.000 0.427 552 Q N 0.410 120.005 119.800 -0.342 0.000 2.437 552 Q HA -0.096 4.244 4.340 -0.000 0.000 0.210 552 Q C 1.796 177.674 176.000 -0.203 0.000 0.972 552 Q CA 0.803 56.393 55.803 -0.354 0.000 0.903 552 Q CB -0.139 28.216 28.738 -0.639 0.000 0.967 552 Q HN 0.345 nan 8.270 nan 0.000 0.486 553 R N 0.604 121.011 120.500 -0.155 0.000 2.120 553 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 553 R C 1.355 177.611 176.300 -0.073 0.000 1.123 553 R CA 1.049 57.092 56.100 -0.095 0.000 0.975 553 R CB 0.324 30.582 30.300 -0.071 0.000 0.866 553 R HN 0.070 nan 8.270 nan 0.000 0.446 554 E N -0.065 120.090 120.200 -0.076 0.000 2.442 554 E HA 0.110 4.460 4.350 -0.000 0.000 0.195 554 E C 0.114 176.683 176.600 -0.053 0.000 1.030 554 E CA 0.417 56.785 56.400 -0.054 0.000 0.869 554 E CB 0.265 29.936 29.700 -0.048 0.000 0.857 554 E HN 0.327 nan 8.360 nan 0.000 0.505 555 A N 1.944 124.722 122.820 -0.070 0.000 2.445 555 A HA 0.271 4.591 4.320 -0.000 0.000 0.242 555 A C -0.141 177.417 177.584 -0.043 0.000 1.075 555 A CA -0.163 51.838 52.037 -0.060 0.000 0.777 555 A CB 0.094 19.045 19.000 -0.082 0.000 1.013 555 A HN 0.012 nan 8.150 nan 0.000 0.493 556 R N 1.046 121.528 120.500 -0.030 0.000 2.371 556 R HA 0.522 4.862 4.340 -0.000 0.000 0.312 556 R C -0.412 175.879 176.300 -0.016 0.000 0.980 556 R CA -0.456 55.631 56.100 -0.021 0.000 0.867 556 R CB 0.543 30.833 30.300 -0.016 0.000 1.163 556 R HN 0.609 nan 8.270 nan 0.000 0.492 557 V N 0.000 119.906 119.914 -0.014 0.000 2.409 557 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 557 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 557 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 557 V HN 0.000 nan 8.190 nan 0.000 0.556