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 1gzv_1_A DATA FIRST_RESID 1 DATA SEQUENCE AALTQNPQFK KLQTWYHEHR SDLNLRRLFE GDKDRFNHFS LNLNTNHGRI DATA SEQUENCE LLDYSKNLVT EAVMQMLVDL AKSRGVEAAR ERMFNGEKIN FTEDRAVLHV DATA SEQUENCE ALRNRSNTPI LVDGKDVMPE VNRVLEKMKS FCKRVRSGEW KGYSGKSITD DATA SEQUENCE VINIGIGGSD LGPLMVTEAL KPYSAEGPRV WFVSNIDGTH IAKTLATLNP DATA SEQUENCE ESSLFIIASK TFTTQETITN AETAKEWFLQ SAKDPSAVAK HFVALSTNTT DATA SEQUENCE KVKEFGIDPQ NMFEFWDWVG GRYSLWSAIG LSIALHVGFD NFEQLLSGAH DATA SEQUENCE WMDQHFRTTP LEKNAPVLLA LLGIWYINFF GCETHAMLPY DQYLHRFAAY DATA SEQUENCE FQQGDMESNG KYITKSGTRV DHQTGPIVWG EPGTNGQHAF YQLIHQGTKM DATA SEQUENCE IPCDFLIPVQ TQHPIRKGLH HKILLANFLA QTEALMKGKS TEEARKELQA DATA SEQUENCE AGKSPEDFEK LLPHKVFEGN RPTNSIVFTK LTPFILGALI AMYEHKIFVQ DATA SEQUENCE GVIWDINSFD QWGVELGKQL AKKIEPELDG SSPVTSHDSS TNGLINFIKQ DATA SEQUENCE EREA 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.588 177.584 0.006 0.000 1.274 1 A CA 0.000 52.051 52.037 0.024 0.000 0.836 1 A CB 0.000 19.009 19.000 0.015 0.000 0.831 2 A N 0.447 123.276 122.820 0.014 0.000 1.879 2 A HA -0.187 4.133 4.320 -0.000 0.000 0.222 2 A C 2.111 179.653 177.584 -0.070 0.000 1.368 2 A CA 2.669 54.702 52.037 -0.006 0.000 0.707 2 A CB -1.120 17.895 19.000 0.024 0.000 0.846 2 A HN 1.463 nan 8.150 nan 0.000 0.468 3 L N -0.132 121.001 121.223 -0.150 0.000 2.005 3 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 3 L C 2.700 179.204 176.870 -0.609 0.000 1.072 3 L CA 3.181 57.778 54.840 -0.406 0.000 0.744 3 L CB -1.015 40.620 42.059 -0.706 0.000 0.895 3 L HN 0.619 nan 8.230 nan 0.000 0.433 4 T N -3.639 110.599 114.554 -0.527 0.000 3.155 4 T HA -0.123 4.227 4.350 -0.000 0.000 0.264 4 T C 1.610 176.294 174.700 -0.026 0.000 1.160 4 T CA 1.075 62.952 62.100 -0.371 0.000 1.075 4 T CB -0.265 68.528 68.868 -0.125 0.000 0.921 4 T HN 0.355 nan 8.240 nan 0.000 0.533 5 Q N 1.071 120.853 119.800 -0.030 0.000 2.282 5 Q HA 0.302 4.642 4.340 -0.000 0.000 0.206 5 Q C 0.292 176.332 176.000 0.067 0.000 0.878 5 Q CA -0.162 55.664 55.803 0.038 0.000 0.944 5 Q CB 0.091 28.840 28.738 0.018 0.000 1.100 5 Q HN 0.516 nan 8.270 nan 0.000 0.509 6 N N 0.804 119.555 118.700 0.084 0.000 2.458 6 N HA 0.051 4.791 4.740 -0.000 0.000 0.270 6 N C -1.940 173.675 175.510 0.174 0.000 1.102 6 N CA -1.463 51.657 53.050 0.118 0.000 0.967 6 N CB 1.367 39.925 38.487 0.119 0.000 1.078 6 N HN -0.014 nan 8.380 nan 0.000 0.471 7 P HA -0.194 nan 4.420 nan 0.000 0.215 7 P C 0.788 178.146 177.300 0.097 0.000 1.157 7 P CA 1.578 64.734 63.100 0.093 0.000 0.874 7 P CB 0.365 32.099 31.700 0.055 0.000 0.790 8 Q N -0.938 118.915 119.800 0.088 0.000 2.119 8 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 8 Q C 2.277 178.341 176.000 0.107 0.000 0.972 8 Q CA 1.046 56.885 55.803 0.060 0.000 0.847 8 Q CB -1.535 27.220 28.738 0.028 0.000 0.903 8 Q HN 0.310 nan 8.270 nan 0.000 0.433 9 F N 2.311 122.298 119.950 0.061 0.000 2.075 9 F HA -0.188 4.339 4.527 -0.000 0.000 0.297 9 F C 2.075 177.970 175.800 0.159 0.000 1.113 9 F CA 1.593 59.672 58.000 0.131 0.000 1.218 9 F CB 0.068 39.123 39.000 0.091 0.000 0.984 9 F HN -0.055 nan 8.300 nan 0.000 0.472 10 K N 0.163 120.712 120.400 0.249 0.000 2.147 10 K HA -0.245 4.075 4.320 -0.000 0.000 0.205 10 K C 2.106 178.733 176.600 0.044 0.000 1.049 10 K CA 1.658 58.031 56.287 0.143 0.000 0.936 10 K CB -0.249 32.358 32.500 0.179 0.000 0.722 10 K HN 0.250 nan 8.250 nan 0.000 0.446 11 K N 1.399 121.823 120.400 0.041 0.000 2.057 11 K HA -0.123 4.196 4.320 -0.000 0.000 0.207 11 K C 1.963 178.569 176.600 0.009 0.000 1.049 11 K CA 1.013 57.319 56.287 0.031 0.000 0.931 11 K CB -0.053 32.457 32.500 0.016 0.000 0.714 11 K HN 0.027 nan 8.250 nan 0.000 0.440 12 L N 0.889 122.058 121.223 -0.090 0.000 2.083 12 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 12 L C 2.672 179.498 176.870 -0.073 0.000 1.083 12 L CA 1.434 56.158 54.840 -0.194 0.000 0.752 12 L CB -0.357 41.445 42.059 -0.427 0.000 0.899 12 L HN 0.342 nan 8.230 nan 0.000 0.433 13 Q N -0.951 118.823 119.800 -0.043 0.000 2.061 13 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 13 Q C 2.312 178.270 176.000 -0.069 0.000 0.984 13 Q CA 2.356 58.132 55.803 -0.045 0.000 0.846 13 Q CB -0.364 28.309 28.738 -0.108 0.000 0.902 13 Q HN 0.580 nan 8.270 nan 0.000 0.421 14 T N -1.410 113.177 114.554 0.056 0.000 2.777 14 T HA -0.215 4.134 4.350 -0.000 0.000 0.266 14 T C 1.381 176.220 174.700 0.232 0.000 1.040 14 T CA 1.159 63.341 62.100 0.137 0.000 1.141 14 T CB -0.418 68.532 68.868 0.138 0.000 0.868 14 T HN 0.545 nan 8.240 nan 0.000 0.444 15 W N 0.211 121.563 121.300 0.086 0.000 2.338 15 W HA -0.177 4.483 4.660 -0.000 0.000 0.304 15 W C 2.120 178.800 176.519 0.268 0.000 1.212 15 W CA 1.480 58.939 57.345 0.189 0.000 1.264 15 W CB -0.579 28.897 29.460 0.027 0.000 1.142 15 W HN 0.423 nan 8.180 nan 0.000 0.512 16 Y N 0.125 120.720 120.300 0.492 0.000 2.114 16 Y HA -0.333 4.217 4.550 -0.000 0.000 0.284 16 Y C 2.619 178.603 175.900 0.140 0.000 1.143 16 Y CA 2.612 60.913 58.100 0.335 0.000 1.135 16 Y CB -1.190 37.314 38.460 0.072 0.000 0.980 16 Y HN -0.060 nan 8.280 nan 0.000 0.499 17 H N 0.425 119.536 119.070 0.067 0.000 2.489 17 H HA -0.093 4.463 4.556 -0.000 0.000 0.295 17 H C 1.893 177.095 175.328 -0.209 0.000 1.082 17 H CA 1.648 57.631 56.048 -0.107 0.000 1.295 17 H CB -0.031 29.758 29.762 0.045 0.000 1.380 17 H HN 0.601 nan 8.280 nan 0.000 0.548 18 E N -0.909 119.243 120.200 -0.080 0.000 2.307 18 E HA -0.007 4.343 4.350 -0.000 0.000 0.195 18 E C 0.884 177.104 176.600 -0.632 0.000 0.975 18 E CA 0.187 56.401 56.400 -0.310 0.000 0.878 18 E CB 0.451 29.966 29.700 -0.308 0.000 0.845 18 E HN 0.644 nan 8.360 nan 0.000 0.488 19 H N -0.756 117.963 119.070 -0.586 0.000 2.893 19 H HA 0.180 4.736 4.556 -0.000 0.000 0.270 19 H C 1.682 176.789 175.328 -0.369 0.000 1.095 19 H CA -0.126 55.533 56.048 -0.649 0.000 1.186 19 H CB 0.787 29.697 29.762 -1.420 0.000 1.562 19 H HN -0.001 nan 8.280 nan 0.000 0.536 20 R N 1.330 121.679 120.500 -0.253 0.000 2.165 20 R HA -0.187 4.153 4.340 -0.000 0.000 0.254 20 R C 1.739 178.037 176.300 -0.002 0.000 1.153 20 R CA 2.103 58.101 56.100 -0.170 0.000 0.971 20 R CB 0.078 30.136 30.300 -0.404 0.000 0.878 20 R HN 0.038 nan 8.270 nan 0.000 0.449 21 S N 0.681 116.349 115.700 -0.052 0.000 2.368 21 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 21 S C 1.098 175.722 174.600 0.040 0.000 1.030 21 S CA 1.408 59.607 58.200 -0.001 0.000 0.999 21 S CB -0.287 62.889 63.200 -0.041 0.000 0.844 21 S HN 0.459 nan 8.310 nan 0.000 0.459 22 D N 1.435 121.850 120.400 0.024 0.000 2.357 22 D HA -0.066 4.574 4.640 -0.000 0.000 0.216 22 D C 0.427 176.818 176.300 0.152 0.000 0.973 22 D CA 0.584 54.633 54.000 0.080 0.000 0.912 22 D CB -0.350 40.510 40.800 0.100 0.000 0.900 22 D HN 0.354 nan 8.370 nan 0.000 0.501 23 L N 1.497 122.839 121.223 0.198 0.000 2.480 23 L HA 0.107 4.447 4.340 -0.000 0.000 0.243 23 L C 0.506 177.503 176.870 0.213 0.000 1.315 23 L CA -0.268 54.736 54.840 0.273 0.000 1.231 23 L CB -0.428 41.888 42.059 0.430 0.000 1.444 23 L HN -0.057 nan 8.230 nan 0.000 0.409 24 N N 0.995 119.789 118.700 0.157 0.000 2.392 24 N HA 0.094 4.834 4.740 -0.000 0.000 0.283 24 N C 0.674 176.264 175.510 0.134 0.000 1.003 24 N CA -0.623 52.507 53.050 0.133 0.000 0.892 24 N CB 1.922 40.472 38.487 0.105 0.000 1.193 24 N HN 0.176 nan 8.380 nan 0.000 0.487 25 L N 4.256 125.565 121.223 0.144 0.000 2.083 25 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 25 L C 2.510 179.530 176.870 0.251 0.000 1.083 25 L CA 1.411 56.370 54.840 0.197 0.000 0.752 25 L CB -0.945 41.224 42.059 0.184 0.000 0.899 25 L HN 0.672 nan 8.230 nan 0.000 0.433 26 R N -0.764 119.831 120.500 0.158 0.000 2.073 26 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 26 R C 2.542 178.936 176.300 0.156 0.000 1.134 26 R CA 1.233 57.414 56.100 0.135 0.000 0.952 26 R CB -0.189 30.155 30.300 0.075 0.000 0.850 26 R HN 0.181 nan 8.270 nan 0.000 0.433 27 R N 1.016 121.589 120.500 0.122 0.000 2.075 27 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 27 R C 2.124 178.483 176.300 0.097 0.000 1.126 27 R CA 1.378 57.538 56.100 0.100 0.000 0.963 27 R CB -0.590 29.758 30.300 0.080 0.000 0.858 27 R HN 0.322 nan 8.270 nan 0.000 0.435 28 L N 0.211 121.487 121.223 0.089 0.000 2.129 28 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 28 L C 2.228 179.055 176.870 -0.071 0.000 1.087 28 L CA 1.377 56.216 54.840 -0.002 0.000 0.757 28 L CB -0.398 41.626 42.059 -0.059 0.000 0.896 28 L HN 0.116 nan 8.230 nan 0.000 0.434 29 F N -0.195 119.762 119.950 0.012 0.000 2.456 29 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 29 F C 2.489 178.301 175.800 0.020 0.000 1.104 29 F CA 0.568 58.574 58.000 0.011 0.000 1.435 29 F CB 0.005 39.003 39.000 -0.003 0.000 1.078 29 F HN 0.090 nan 8.300 nan 0.000 0.546 30 E N 0.058 120.349 120.200 0.153 0.000 2.008 30 E HA -0.084 4.265 4.350 -0.000 0.000 0.191 30 E C 2.625 179.267 176.600 0.070 0.000 0.986 30 E CA 1.101 57.561 56.400 0.100 0.000 0.807 30 E CB -1.402 28.344 29.700 0.078 0.000 0.766 30 E HN 0.341 nan 8.360 nan 0.000 0.450 31 G N 2.531 111.364 108.800 0.055 0.000 2.802 31 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.222 31 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.222 31 G C 0.593 175.521 174.900 0.046 0.000 1.248 31 G CA 1.270 46.397 45.100 0.045 0.000 0.787 31 G HN 0.264 nan 8.290 nan 0.000 0.643 32 D N -0.374 120.042 120.400 0.027 0.000 2.317 32 D HA 0.396 5.036 4.640 -0.000 0.000 0.234 32 D C 0.955 177.272 176.300 0.029 0.000 1.112 32 D CA -0.483 53.548 54.000 0.051 0.000 0.840 32 D CB 1.447 42.303 40.800 0.094 0.000 1.078 32 D HN -0.063 nan 8.370 nan 0.000 0.486 33 K N 1.355 121.785 120.400 0.049 0.000 2.366 33 K HA 0.031 4.351 4.320 -0.000 0.000 0.198 33 K C 0.146 176.761 176.600 0.026 0.000 1.044 33 K CA 0.664 56.981 56.287 0.049 0.000 0.973 33 K CB 0.277 32.806 32.500 0.048 0.000 0.767 33 K HN 0.390 nan 8.250 nan 0.000 0.475 34 D N -0.979 119.391 120.400 -0.050 0.000 2.957 34 D HA 0.072 4.711 4.640 -0.000 0.000 0.352 34 D C 0.815 176.899 176.300 -0.360 0.000 1.352 34 D CA -0.321 53.585 54.000 -0.157 0.000 0.831 34 D CB 0.151 40.825 40.800 -0.209 0.000 1.147 34 D HN -0.071 nan 8.370 nan 0.000 0.467 35 R N -0.008 120.415 120.500 -0.128 0.000 2.103 35 R HA -0.206 4.134 4.340 -0.000 0.000 0.242 35 R C 1.579 177.890 176.300 0.019 0.000 1.142 35 R CA 1.287 57.345 56.100 -0.071 0.000 0.960 35 R CB -0.456 29.582 30.300 -0.437 0.000 0.858 35 R HN 0.241 nan 8.270 nan 0.000 0.439 36 F N 1.734 121.653 119.950 -0.050 0.000 2.065 36 F HA -0.290 4.237 4.527 -0.000 0.000 0.298 36 F C 1.535 177.299 175.800 -0.060 0.000 1.112 36 F CA 2.365 60.370 58.000 0.008 0.000 1.212 36 F CB -0.328 38.700 39.000 0.047 0.000 0.975 36 F HN 0.158 nan 8.300 nan 0.000 0.476 37 N N -0.856 117.747 118.700 -0.162 0.000 2.364 37 N HA -0.146 4.593 4.740 -0.000 0.000 0.183 37 N C 1.157 176.523 175.510 -0.241 0.000 1.022 37 N CA 1.641 54.535 53.050 -0.261 0.000 0.883 37 N CB -0.479 37.923 38.487 -0.141 0.000 0.965 37 N HN 0.557 nan 8.380 nan 0.000 0.438 38 H N -2.271 116.696 119.070 -0.173 0.000 2.562 38 H HA 0.195 4.750 4.556 -0.000 0.000 0.267 38 H C -0.212 174.730 175.328 -0.644 0.000 0.959 38 H CA 0.162 55.989 56.048 -0.369 0.000 1.204 38 H CB 0.313 29.830 29.762 -0.409 0.000 1.430 38 H HN 0.120 nan 8.280 nan 0.000 0.545 39 F N 1.502 121.206 119.950 -0.411 0.000 2.679 39 F HA 0.294 4.821 4.527 0.000 0.000 0.354 39 F C -0.216 174.869 175.800 -1.192 0.000 1.423 39 F CA -0.656 56.738 58.000 -1.009 0.000 1.141 39 F CB 0.739 39.221 39.000 -0.862 0.000 1.168 39 F HN -0.074 nan 8.300 nan 0.000 0.530 40 S N 0.323 115.696 115.700 -0.544 0.000 2.537 40 S HA 0.822 5.292 4.470 -0.000 0.000 0.270 40 S C -1.621 172.957 174.600 -0.037 0.000 1.142 40 S CA -0.759 57.249 58.200 -0.320 0.000 0.870 40 S CB 2.495 65.234 63.200 -0.768 0.000 1.112 40 S HN 0.113 nan 8.310 nan 0.000 0.466 41 L N 2.090 123.366 121.223 0.089 0.000 2.406 41 L HA 0.551 4.891 4.340 -0.000 0.000 0.272 41 L C -0.807 176.128 176.870 0.108 0.000 0.980 41 L CA -0.320 54.595 54.840 0.125 0.000 0.831 41 L CB 1.679 43.854 42.059 0.192 0.000 1.253 41 L HN 0.972 nan 8.230 nan 0.000 0.406 42 N N 4.132 122.888 118.700 0.095 0.000 2.469 42 N HA 0.539 5.279 4.740 -0.000 0.000 0.253 42 N C -1.427 174.156 175.510 0.122 0.000 0.970 42 N CA -0.642 52.470 53.050 0.102 0.000 0.940 42 N CB 0.703 39.245 38.487 0.090 0.000 1.128 42 N HN 0.313 nan 8.380 nan 0.000 0.503 43 L N 2.835 124.129 121.223 0.118 0.000 2.317 43 L HA 0.446 4.786 4.340 -0.000 0.000 0.281 43 L C -0.004 176.907 176.870 0.068 0.000 1.024 43 L CA -0.755 54.180 54.840 0.158 0.000 0.810 43 L CB 1.142 43.288 42.059 0.144 0.000 1.240 43 L HN 0.558 nan 8.230 nan 0.000 0.427 44 N N 0.009 118.774 118.700 0.108 0.000 2.448 44 N HA 0.205 4.945 4.740 -0.000 0.000 0.279 44 N C 0.549 176.013 175.510 -0.076 0.000 1.025 44 N CA -0.059 52.995 53.050 0.006 0.000 0.898 44 N CB 1.572 40.100 38.487 0.068 0.000 1.303 44 N HN 0.671 nan 8.380 nan 0.000 0.495 45 T N 0.398 114.719 114.554 -0.388 0.000 3.081 45 T HA 0.147 4.497 4.350 -0.000 0.000 0.255 45 T C 0.389 175.035 174.700 -0.090 0.000 1.113 45 T CA 0.676 62.363 62.100 -0.687 0.000 1.082 45 T CB -0.537 67.903 68.868 -0.713 0.000 0.939 45 T HN 0.782 nan 8.240 nan 0.000 0.506 46 N N 0.095 118.748 118.700 -0.078 0.000 2.984 46 N HA -0.158 4.582 4.740 -0.000 0.000 0.227 46 N C -0.326 174.909 175.510 -0.459 0.000 0.903 46 N CA 1.089 54.046 53.050 -0.155 0.000 0.995 46 N CB -1.185 37.251 38.487 -0.085 0.000 1.065 46 N HN 0.649 nan 8.380 nan 0.000 0.585 47 H N -0.781 118.059 119.070 -0.383 0.000 2.750 47 H HA 0.457 5.013 4.556 -0.000 0.000 0.239 47 H C 0.892 176.052 175.328 -0.280 0.000 1.210 47 H CA 0.292 56.055 56.048 -0.476 0.000 0.936 47 H CB 0.871 29.963 29.762 -1.118 0.000 2.074 47 H HN 0.398 nan 8.280 nan 0.000 0.622 48 G N 1.157 109.908 108.800 -0.083 0.000 2.381 48 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.672 48 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.672 48 G C -1.387 173.494 174.900 -0.032 0.000 1.324 48 G CA -1.204 43.883 45.100 -0.022 0.000 0.975 48 G HN 0.191 nan 8.290 nan 0.000 0.593 49 R N -1.205 119.306 120.500 0.019 0.000 2.803 49 R HA 0.810 5.149 4.340 -0.000 0.000 0.276 49 R C -0.516 175.838 176.300 0.089 0.000 0.978 49 R CA -0.771 55.344 56.100 0.026 0.000 0.939 49 R CB 1.944 32.270 30.300 0.045 0.000 1.179 49 R HN 0.502 nan 8.270 nan 0.000 0.472 50 I N 2.665 123.284 120.570 0.081 0.000 2.499 50 I HA 0.314 4.484 4.170 -0.000 0.000 0.288 50 I C -0.977 175.227 176.117 0.144 0.000 1.048 50 I CA -0.568 60.824 61.300 0.153 0.000 1.062 50 I CB 1.982 40.046 38.000 0.107 0.000 1.238 50 I HN 0.319 nan 8.210 nan 0.000 0.426 51 L N 7.235 128.564 121.223 0.177 0.000 2.265 51 L HA 0.508 4.848 4.340 -0.000 0.000 0.289 51 L C -1.011 175.982 176.870 0.204 0.000 1.033 51 L CA -0.615 54.330 54.840 0.174 0.000 0.814 51 L CB 1.175 43.343 42.059 0.182 0.000 1.203 51 L HN 0.568 nan 8.230 nan 0.000 0.423 52 L N 5.364 126.702 121.223 0.191 0.000 2.272 52 L HA 0.326 4.665 4.340 -0.000 0.000 0.284 52 L C -0.764 176.259 176.870 0.255 0.000 1.045 52 L CA -0.448 54.530 54.840 0.231 0.000 0.842 52 L CB 0.950 43.134 42.059 0.208 0.000 1.224 52 L HN 0.565 nan 8.230 nan 0.000 0.430 53 D N 4.196 124.749 120.400 0.254 0.000 2.428 53 D HA 0.066 4.705 4.640 -0.000 0.000 0.221 53 D C -0.055 176.402 176.300 0.262 0.000 1.123 53 D CA -0.205 53.916 54.000 0.203 0.000 0.869 53 D CB 0.607 41.585 40.800 0.297 0.000 1.032 53 D HN 0.448 nan 8.370 nan 0.000 0.506 54 Y N 1.579 121.971 120.300 0.152 0.000 2.708 54 Y HA 0.238 4.788 4.550 -0.000 0.000 0.287 54 Y C 1.568 177.573 175.900 0.175 0.000 1.145 54 Y CA -0.371 57.835 58.100 0.177 0.000 1.249 54 Y CB -0.609 37.960 38.460 0.182 0.000 1.152 54 Y HN 0.202 nan 8.280 nan 0.000 0.532 55 S N 0.420 116.119 115.700 -0.001 0.000 2.406 55 S HA -0.084 4.386 4.470 -0.000 0.000 0.228 55 S C 1.091 175.736 174.600 0.076 0.000 1.020 55 S CA 0.419 58.592 58.200 -0.045 0.000 0.965 55 S CB -0.331 62.940 63.200 0.119 0.000 0.798 55 S HN 0.524 nan 8.310 nan 0.000 0.488 56 K N 1.935 122.460 120.400 0.209 0.000 3.165 56 K HA 0.263 4.583 4.320 -0.000 0.000 0.270 56 K C -0.805 175.895 176.600 0.166 0.000 1.111 56 K CA -0.097 56.319 56.287 0.215 0.000 1.216 56 K CB -0.457 32.098 32.500 0.091 0.000 1.229 56 K HN 0.449 nan 8.250 nan 0.000 0.435 57 N N 0.459 119.257 118.700 0.165 0.000 2.361 57 N HA 0.252 4.992 4.740 -0.000 0.000 0.302 57 N C -0.693 174.958 175.510 0.234 0.000 1.074 57 N CA -0.628 52.587 53.050 0.276 0.000 0.850 57 N CB 1.473 40.181 38.487 0.369 0.000 1.228 57 N HN 0.011 nan 8.380 nan 0.000 0.491 58 L N 2.270 123.711 121.223 0.364 0.000 2.400 58 L HA 0.239 4.579 4.340 -0.000 0.000 0.262 58 L C -0.631 176.549 176.870 0.518 0.000 1.309 58 L CA -0.039 55.036 54.840 0.391 0.000 1.186 58 L CB -0.763 41.561 42.059 0.442 0.000 1.375 58 L HN 0.224 nan 8.230 nan 0.000 0.433 59 V N 0.856 120.903 119.914 0.223 0.000 3.120 59 V HA 0.623 4.743 4.120 -0.000 0.000 0.303 59 V C -0.058 175.992 176.094 -0.073 0.000 1.238 59 V CA -0.290 62.051 62.300 0.069 0.000 1.008 59 V CB 3.020 34.850 31.823 0.011 0.000 1.064 59 V HN 0.676 nan 8.190 nan 0.000 0.434 60 T N 0.209 114.721 114.554 -0.070 0.000 2.773 60 T HA 0.515 4.865 4.350 -0.000 0.000 0.278 60 T C 0.683 175.465 174.700 0.137 0.000 1.011 60 T CA -0.453 61.676 62.100 0.049 0.000 1.014 60 T CB 1.774 70.670 68.868 0.047 0.000 1.293 60 T HN 0.576 nan 8.240 nan 0.000 0.554 61 E N 0.331 120.646 120.200 0.192 0.000 2.051 61 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 61 E C 2.412 178.924 176.600 -0.147 0.000 0.991 61 E CA 1.355 57.761 56.400 0.010 0.000 0.799 61 E CB -0.517 29.155 29.700 -0.046 0.000 0.748 61 E HN 0.748 nan 8.360 nan 0.000 0.449 62 A N 1.261 123.966 122.820 -0.192 0.000 1.933 62 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 62 A C 2.565 179.840 177.584 -0.514 0.000 1.175 62 A CA 1.214 53.064 52.037 -0.311 0.000 0.628 62 A CB -0.578 18.249 19.000 -0.290 0.000 0.814 62 A HN 0.107 nan 8.150 nan 0.000 0.444 63 V N -0.246 119.272 119.914 -0.660 0.000 2.307 63 V HA -0.271 3.848 4.120 -0.000 0.000 0.245 63 V C 2.641 178.357 176.094 -0.631 0.000 1.045 63 V CA 1.885 63.648 62.300 -0.896 0.000 1.024 63 V CB -0.737 30.424 31.823 -1.103 0.000 0.651 63 V HN 0.471 nan 8.190 nan 0.000 0.449 64 M N -0.359 119.008 119.600 -0.387 0.000 2.082 64 M HA -0.212 4.268 4.480 -0.000 0.000 0.258 64 M C 2.266 178.409 176.300 -0.261 0.000 1.069 64 M CA 1.852 56.997 55.300 -0.258 0.000 1.102 64 M CB -1.376 31.171 32.600 -0.088 0.000 1.336 64 M HN 0.368 nan 8.290 nan 0.000 0.404 65 Q N 0.156 119.802 119.800 -0.256 0.000 2.030 65 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 65 Q C 2.071 177.930 176.000 -0.234 0.000 0.986 65 Q CA 1.864 57.535 55.803 -0.219 0.000 0.843 65 Q CB -0.427 28.192 28.738 -0.198 0.000 0.904 65 Q HN 0.505 nan 8.270 nan 0.000 0.420 66 M N -0.698 118.717 119.600 -0.308 0.000 2.267 66 M HA -0.170 4.310 4.480 -0.000 0.000 0.263 66 M C 1.805 177.944 176.300 -0.267 0.000 1.063 66 M CA 1.086 56.207 55.300 -0.297 0.000 1.090 66 M CB -0.122 32.233 32.600 -0.408 0.000 1.392 66 M HN 0.214 nan 8.290 nan 0.000 0.422 67 L N -1.350 119.686 121.223 -0.312 0.000 2.179 67 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 67 L C 2.212 178.984 176.870 -0.164 0.000 1.096 67 L CA 0.384 55.078 54.840 -0.244 0.000 0.779 67 L CB -0.316 41.565 42.059 -0.297 0.000 0.922 67 L HN 0.078 nan 8.230 nan 0.000 0.443 68 V N -0.510 119.304 119.914 -0.167 0.000 2.453 68 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 68 V C 2.011 178.039 176.094 -0.109 0.000 1.048 68 V CA 1.558 63.780 62.300 -0.130 0.000 1.049 68 V CB -0.382 31.363 31.823 -0.130 0.000 0.672 68 V HN 0.389 nan 8.190 nan 0.000 0.457 69 D N 0.002 120.333 120.400 -0.116 0.000 2.149 69 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 69 D C 1.967 178.229 176.300 -0.063 0.000 0.990 69 D CA 1.139 55.086 54.000 -0.089 0.000 0.839 69 D CB -0.247 40.498 40.800 -0.092 0.000 0.948 69 D HN 0.312 nan 8.370 nan 0.000 0.460 70 L N 0.830 122.018 121.223 -0.058 0.000 2.042 70 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 70 L C 2.136 178.987 176.870 -0.031 0.000 1.076 70 L CA 1.889 56.721 54.840 -0.014 0.000 0.749 70 L CB -0.676 41.396 42.059 0.022 0.000 0.893 70 L HN -0.014 nan 8.230 nan 0.000 0.432 71 A N -1.196 121.589 122.820 -0.058 0.000 1.930 71 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 71 A C 2.371 179.915 177.584 -0.065 0.000 1.175 71 A CA 1.611 53.606 52.037 -0.070 0.000 0.627 71 A CB -0.446 18.507 19.000 -0.078 0.000 0.815 71 A HN 0.434 nan 8.150 nan 0.000 0.443 72 K N -0.170 120.191 120.400 -0.065 0.000 2.026 72 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 72 K C 2.455 179.024 176.600 -0.051 0.000 1.048 72 K CA 1.560 57.809 56.287 -0.064 0.000 0.929 72 K CB -0.230 32.231 32.500 -0.066 0.000 0.713 72 K HN 0.555 nan 8.250 nan 0.000 0.439 73 S N 0.844 116.520 115.700 -0.041 0.000 2.447 73 S HA -0.081 4.389 4.470 -0.000 0.000 0.233 73 S C 1.532 176.117 174.600 -0.026 0.000 1.006 73 S CA 0.742 58.925 58.200 -0.028 0.000 0.957 73 S CB -0.006 63.186 63.200 -0.014 0.000 0.773 73 S HN 0.221 nan 8.310 nan 0.000 0.507 74 R N 0.210 120.691 120.500 -0.033 0.000 2.388 74 R HA 0.247 4.587 4.340 -0.000 0.000 0.247 74 R C 1.232 177.506 176.300 -0.042 0.000 0.931 74 R CA 0.479 56.559 56.100 -0.034 0.000 1.082 74 R CB 0.032 30.309 30.300 -0.039 0.000 1.135 74 R HN 0.541 nan 8.270 nan 0.000 0.525 75 G N 0.692 109.465 108.800 -0.044 0.000 2.132 75 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.228 75 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.228 75 G C 0.744 175.616 174.900 -0.048 0.000 1.000 75 G CA 0.159 45.235 45.100 -0.041 0.000 0.693 75 G HN 0.168 nan 8.290 nan 0.000 0.515 76 V N 0.017 119.892 119.914 -0.064 0.000 2.255 76 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 76 V C 2.679 178.740 176.094 -0.055 0.000 1.051 76 V CA 3.117 65.375 62.300 -0.070 0.000 1.018 76 V CB -0.463 31.318 31.823 -0.070 0.000 0.641 76 V HN 0.646 nan 8.190 nan 0.000 0.445 77 E N 0.143 120.294 120.200 -0.081 0.000 2.033 77 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 77 E C 2.220 178.771 176.600 -0.081 0.000 1.011 77 E CA 1.713 58.044 56.400 -0.114 0.000 0.815 77 E CB -0.447 29.180 29.700 -0.123 0.000 0.755 77 E HN 0.600 nan 8.360 nan 0.000 0.451 78 A N 0.849 123.638 122.820 -0.051 0.000 2.014 78 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 78 A C 2.308 179.910 177.584 0.030 0.000 1.163 78 A CA 1.250 53.272 52.037 -0.025 0.000 0.652 78 A CB -0.538 18.447 19.000 -0.026 0.000 0.808 78 A HN 0.283 nan 8.150 nan 0.000 0.449 79 A N 0.300 123.151 122.820 0.052 0.000 1.917 79 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 79 A C 2.274 180.029 177.584 0.285 0.000 1.182 79 A CA 1.837 53.961 52.037 0.145 0.000 0.633 79 A CB -0.587 18.466 19.000 0.089 0.000 0.819 79 A HN 0.539 nan 8.150 nan 0.000 0.448 80 R N -0.426 120.226 120.500 0.254 0.000 2.083 80 R HA -0.173 4.166 4.340 -0.000 0.000 0.237 80 R C 1.781 178.188 176.300 0.178 0.000 1.137 80 R CA 1.812 58.092 56.100 0.299 0.000 0.951 80 R CB -0.336 29.955 30.300 -0.015 0.000 0.851 80 R HN 0.510 nan 8.270 nan 0.000 0.434 81 E N 0.495 120.715 120.200 0.034 0.000 2.153 81 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 81 E C 2.115 178.752 176.600 0.061 0.000 0.988 81 E CA 0.855 57.261 56.400 0.009 0.000 0.811 81 E CB -0.206 29.457 29.700 -0.062 0.000 0.746 81 E HN 0.391 nan 8.360 nan 0.000 0.466 82 R N 0.179 120.721 120.500 0.070 0.000 2.091 82 R HA -0.096 4.243 4.340 -0.000 0.000 0.238 82 R C 2.436 178.746 176.300 0.016 0.000 1.136 82 R CA 1.560 57.689 56.100 0.048 0.000 0.959 82 R CB -0.296 30.050 30.300 0.076 0.000 0.856 82 R HN 0.188 nan 8.270 nan 0.000 0.437 83 M N -0.153 119.473 119.600 0.042 0.000 2.059 83 M HA -0.168 4.312 4.480 -0.000 0.000 0.259 83 M C 1.603 177.756 176.300 -0.245 0.000 1.072 83 M CA 1.853 57.060 55.300 -0.155 0.000 1.117 83 M CB -0.150 32.285 32.600 -0.276 0.000 1.320 83 M HN 0.032 nan 8.290 nan 0.000 0.408 84 F N 0.813 120.642 119.950 -0.202 0.000 2.202 84 F HA -0.213 4.314 4.527 -0.000 0.000 0.301 84 F C 1.941 177.626 175.800 -0.191 0.000 1.082 84 F CA 1.086 58.964 58.000 -0.204 0.000 1.313 84 F CB -0.575 38.315 39.000 -0.184 0.000 1.024 84 F HN 0.317 nan 8.300 nan 0.000 0.495 85 N N -0.140 118.559 118.700 -0.001 0.000 2.461 85 N HA 0.064 4.804 4.740 -0.000 0.000 0.188 85 N C 1.491 176.929 175.510 -0.120 0.000 1.134 85 N CA 1.066 54.083 53.050 -0.055 0.000 0.878 85 N CB 0.218 38.682 38.487 -0.039 0.000 0.972 85 N HN 0.333 nan 8.380 nan 0.000 0.456 86 G N 0.967 109.661 108.800 -0.177 0.000 2.132 86 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.228 86 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.228 86 G C -0.130 174.670 174.900 -0.166 0.000 1.000 86 G CA -0.214 44.742 45.100 -0.240 0.000 0.693 86 G HN 0.365 nan 8.290 nan 0.000 0.515 87 E N -0.038 120.098 120.200 -0.107 0.000 2.371 87 E HA 0.336 4.686 4.350 -0.000 0.000 0.257 87 E C 0.320 176.898 176.600 -0.038 0.000 1.134 87 E CA -0.365 56.004 56.400 -0.052 0.000 0.919 87 E CB 0.549 30.238 29.700 -0.018 0.000 1.025 87 E HN 0.332 nan 8.360 nan 0.000 0.438 88 K N 2.495 122.902 120.400 0.011 0.000 2.180 88 K HA 0.148 4.467 4.320 -0.000 0.000 0.250 88 K C 0.964 177.628 176.600 0.106 0.000 1.135 88 K CA 0.007 56.321 56.287 0.044 0.000 1.037 88 K CB -0.360 32.182 32.500 0.071 0.000 1.624 88 K HN 0.490 nan 8.250 nan 0.000 0.382 89 I N -2.115 118.510 120.570 0.093 0.000 3.291 89 I HA -0.039 4.131 4.170 -0.000 0.000 0.279 89 I C 0.525 176.824 176.117 0.304 0.000 1.294 89 I CA 0.214 61.644 61.300 0.217 0.000 1.428 89 I CB -0.080 38.043 38.000 0.204 0.000 1.070 89 I HN 0.216 nan 8.210 nan 0.000 0.478 90 N N 2.364 121.162 118.700 0.162 0.000 2.739 90 N HA 0.026 4.766 4.740 -0.000 0.000 0.266 90 N C 0.755 176.341 175.510 0.127 0.000 1.168 90 N CA -0.454 52.670 53.050 0.123 0.000 1.055 90 N CB -0.127 38.413 38.487 0.088 0.000 1.393 90 N HN 0.478 nan 8.380 nan 0.000 0.514 91 F N 0.785 120.841 119.950 0.178 0.000 2.293 91 F HA -0.000 4.526 4.527 -0.000 0.000 0.300 91 F C 1.895 177.797 175.800 0.171 0.000 1.086 91 F CA 0.942 59.033 58.000 0.152 0.000 1.375 91 F CB -0.959 38.119 39.000 0.131 0.000 1.045 91 F HN 0.236 nan 8.300 nan 0.000 0.516 92 T N -2.788 111.773 114.554 0.013 0.000 3.014 92 T HA 0.068 4.418 4.350 -0.000 0.000 0.263 92 T C 1.462 176.330 174.700 0.280 0.000 1.078 92 T CA 0.953 63.185 62.100 0.220 0.000 1.135 92 T CB -0.309 68.751 68.868 0.321 0.000 0.895 92 T HN 0.486 nan 8.240 nan 0.000 0.480 93 E N 0.582 120.893 120.200 0.186 0.000 2.452 93 E HA 0.094 4.444 4.350 -0.000 0.000 0.197 93 E C -0.158 176.535 176.600 0.154 0.000 1.022 93 E CA 0.064 56.572 56.400 0.180 0.000 0.890 93 E CB 0.261 30.005 29.700 0.074 0.000 0.918 93 E HN 0.363 nan 8.360 nan 0.000 0.496 94 D N 0.860 121.353 120.400 0.155 0.000 2.737 94 D HA -0.154 4.486 4.640 -0.000 0.000 0.243 94 D C -0.923 175.453 176.300 0.127 0.000 1.109 94 D CA 0.676 54.764 54.000 0.147 0.000 0.702 94 D CB -0.757 40.126 40.800 0.137 0.000 1.068 94 D HN 0.096 nan 8.370 nan 0.000 0.432 95 R N -0.451 120.121 120.500 0.120 0.000 2.888 95 R HA 0.885 5.225 4.340 -0.000 0.000 0.266 95 R C -0.163 176.186 176.300 0.082 0.000 1.020 95 R CA -0.517 55.655 56.100 0.121 0.000 0.963 95 R CB 1.551 31.932 30.300 0.135 0.000 1.197 95 R HN 0.111 nan 8.270 nan 0.000 0.481 96 A N 0.948 123.818 122.820 0.083 0.000 2.286 96 A HA 0.520 4.840 4.320 -0.000 0.000 0.286 96 A C -0.487 177.060 177.584 -0.060 0.000 1.097 96 A CA -0.485 51.529 52.037 -0.039 0.000 0.821 96 A CB 0.988 19.907 19.000 -0.135 0.000 1.076 96 A HN 0.359 nan 8.150 nan 0.000 0.490 97 V N 2.514 122.272 119.914 -0.260 0.000 2.284 97 V HA 0.289 4.409 4.120 -0.000 0.000 0.274 97 V C -0.252 175.527 176.094 -0.524 0.000 1.023 97 V CA 0.158 62.199 62.300 -0.432 0.000 0.808 97 V CB 0.325 31.613 31.823 -0.892 0.000 1.035 97 V HN 0.713 nan 8.190 nan 0.000 0.445 98 L N 4.946 126.004 121.223 -0.275 0.000 3.083 98 L HA 0.318 4.658 4.340 -0.000 0.000 0.286 98 L C 1.738 178.533 176.870 -0.125 0.000 1.307 98 L CA -0.302 54.308 54.840 -0.382 0.000 0.897 98 L CB 0.095 41.773 42.059 -0.635 0.000 1.306 98 L HN 0.771 nan 8.230 nan 0.000 0.569 99 H N -0.479 118.555 119.070 -0.060 0.000 2.456 99 H HA -0.094 4.462 4.556 -0.000 0.000 0.296 99 H C 1.991 177.255 175.328 -0.107 0.000 1.079 99 H CA 1.605 57.678 56.048 0.041 0.000 1.322 99 H CB -0.484 29.320 29.762 0.071 0.000 1.388 99 H HN 0.455 nan 8.280 nan 0.000 0.538 100 V N -0.632 119.052 119.914 -0.382 0.000 2.913 100 V HA 0.099 4.219 4.120 -0.000 0.000 0.260 100 V C 2.576 178.561 176.094 -0.181 0.000 1.098 100 V CA 1.099 63.208 62.300 -0.319 0.000 1.121 100 V CB -0.921 30.555 31.823 -0.578 0.000 0.714 100 V HN 0.456 nan 8.190 nan 0.000 0.487 101 A N 0.716 123.432 122.820 -0.173 0.000 2.016 101 A HA 0.163 4.482 4.320 -0.000 0.000 0.217 101 A C 2.100 179.702 177.584 0.029 0.000 1.162 101 A CA 1.445 53.412 52.037 -0.117 0.000 0.662 101 A CB -0.510 18.327 19.000 -0.272 0.000 0.812 101 A HN 0.587 nan 8.150 nan 0.000 0.450 102 L N -0.357 120.949 121.223 0.138 0.000 2.131 102 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 102 L C 2.121 179.060 176.870 0.114 0.000 1.092 102 L CA 1.567 56.545 54.840 0.231 0.000 0.759 102 L CB -0.345 41.928 42.059 0.358 0.000 0.903 102 L HN 0.522 nan 8.230 nan 0.000 0.435 103 R N -0.583 119.913 120.500 -0.006 0.000 2.633 103 R HA 0.147 4.487 4.340 -0.000 0.000 0.348 103 R C 0.297 176.478 176.300 -0.197 0.000 1.100 103 R CA -0.256 55.795 56.100 -0.082 0.000 1.068 103 R CB -0.629 29.575 30.300 -0.159 0.000 1.351 103 R HN 0.017 nan 8.270 nan 0.000 0.575 104 N N 1.995 120.596 118.700 -0.166 0.000 2.671 104 N HA 0.019 4.759 4.740 -0.000 0.000 0.274 104 N C 0.492 175.727 175.510 -0.458 0.000 1.188 104 N CA -0.258 52.632 53.050 -0.268 0.000 1.065 104 N CB 0.529 38.985 38.487 -0.052 0.000 1.415 104 N HN 0.072 nan 8.380 nan 0.000 0.511 105 R N 0.993 120.884 120.500 -1.014 0.000 2.152 105 R HA -0.003 4.337 4.340 -0.000 0.000 0.232 105 R C 0.894 177.069 176.300 -0.207 0.000 1.117 105 R CA 0.731 56.550 56.100 -0.468 0.000 0.981 105 R CB -0.606 29.493 30.300 -0.335 0.000 0.870 105 R HN 0.437 nan 8.270 nan 0.000 0.451 106 S N 0.764 116.373 115.700 -0.153 0.000 2.607 106 S HA 0.007 4.477 4.470 -0.000 0.000 0.224 106 S C 0.202 174.805 174.600 0.005 0.000 0.969 106 S CA 0.056 58.268 58.200 0.020 0.000 0.927 106 S CB -0.275 63.003 63.200 0.130 0.000 0.772 106 S HN 0.413 nan 8.310 nan 0.000 0.533 107 N N 1.188 119.872 118.700 -0.026 0.000 2.708 107 N HA -0.137 4.603 4.740 -0.000 0.000 0.249 107 N C -0.801 174.705 175.510 -0.006 0.000 1.097 107 N CA 0.704 53.746 53.050 -0.013 0.000 0.710 107 N CB -1.499 36.988 38.487 0.001 0.000 1.032 107 N HN 0.239 nan 8.380 nan 0.000 0.551 108 T N 1.339 115.895 114.554 0.003 0.000 2.916 108 T HA 0.186 4.536 4.350 -0.000 0.000 0.303 108 T C -2.146 172.538 174.700 -0.027 0.000 1.025 108 T CA -0.498 61.600 62.100 -0.003 0.000 1.142 108 T CB 0.729 69.605 68.868 0.012 0.000 0.947 108 T HN -0.046 nan 8.240 nan 0.000 0.544 109 P HA 0.279 nan 4.420 nan 0.000 0.271 109 P C -0.662 176.593 177.300 -0.076 0.000 1.226 109 P CA -0.001 63.066 63.100 -0.056 0.000 0.765 109 P CB 0.261 31.933 31.700 -0.046 0.000 0.835 110 I N 4.218 124.718 120.570 -0.115 0.000 2.418 110 I HA 0.343 4.513 4.170 -0.000 0.000 0.287 110 I C -0.157 175.845 176.117 -0.192 0.000 1.008 110 I CA -0.797 60.409 61.300 -0.158 0.000 1.104 110 I CB 1.478 39.347 38.000 -0.219 0.000 1.264 110 I HN 0.035 nan 8.210 nan 0.000 0.438 111 L N 6.401 127.523 121.223 -0.168 0.000 2.317 111 L HA 0.647 4.987 4.340 -0.000 0.000 0.281 111 L C -0.566 176.193 176.870 -0.184 0.000 1.024 111 L CA -1.034 53.713 54.840 -0.154 0.000 0.810 111 L CB 2.112 44.112 42.059 -0.099 0.000 1.240 111 L HN 0.262 nan 8.230 nan 0.000 0.427 112 V N 1.926 121.734 119.914 -0.176 0.000 2.409 112 V HA 0.228 4.348 4.120 -0.000 0.000 0.290 112 V C -0.551 175.506 176.094 -0.061 0.000 1.017 112 V CA -0.372 61.838 62.300 -0.149 0.000 0.841 112 V CB 1.236 32.932 31.823 -0.212 0.000 1.003 112 V HN 0.847 nan 8.190 nan 0.000 0.426 113 D N 4.734 125.110 120.400 -0.041 0.000 2.699 113 D HA -0.187 4.453 4.640 -0.000 0.000 0.239 113 D C 1.302 177.592 176.300 -0.018 0.000 1.136 113 D CA 1.725 55.717 54.000 -0.013 0.000 0.668 113 D CB -0.999 39.809 40.800 0.012 0.000 1.060 113 D HN 1.292 nan 8.370 nan 0.000 0.429 114 G N -0.830 107.950 108.800 -0.033 0.000 2.363 114 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.238 114 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.238 114 G C 0.455 175.333 174.900 -0.036 0.000 1.062 114 G CA 0.727 45.809 45.100 -0.031 0.000 0.629 114 G HN 0.451 nan 8.290 nan 0.000 0.514 115 K N 1.579 121.958 120.400 -0.036 0.000 2.258 115 K HA 0.485 4.805 4.320 -0.000 0.000 0.284 115 K C -0.270 176.288 176.600 -0.071 0.000 1.051 115 K CA -0.402 55.862 56.287 -0.038 0.000 0.923 115 K CB 1.220 33.711 32.500 -0.015 0.000 1.046 115 K HN 0.262 nan 8.250 nan 0.000 0.474 116 D N 2.059 122.418 120.400 -0.068 0.000 2.458 116 D HA -0.056 4.584 4.640 -0.000 0.000 0.243 116 D C 0.841 177.075 176.300 -0.109 0.000 1.146 116 D CA -0.104 53.841 54.000 -0.092 0.000 0.877 116 D CB 1.051 41.812 40.800 -0.065 0.000 1.176 116 D HN 0.274 nan 8.370 nan 0.000 0.461 117 V N 1.923 121.735 119.914 -0.170 0.000 3.354 117 V HA -0.052 4.068 4.120 -0.000 0.000 0.258 117 V C 1.981 177.977 176.094 -0.164 0.000 1.159 117 V CA 0.150 62.331 62.300 -0.198 0.000 1.125 117 V CB -0.372 31.246 31.823 -0.341 0.000 0.774 117 V HN 0.432 nan 8.190 nan 0.000 0.464 118 M N 1.030 120.560 119.600 -0.117 0.000 2.108 118 M HA 0.000 4.480 4.480 -0.000 0.000 0.261 118 M C 0.189 176.478 176.300 -0.018 0.000 1.066 118 M CA 1.653 56.916 55.300 -0.061 0.000 1.107 118 M CB -2.722 29.850 32.600 -0.047 0.000 1.356 118 M HN 0.341 nan 8.290 nan 0.000 0.406 119 P HA -0.141 nan 4.420 nan 0.000 0.218 119 P C 1.501 178.832 177.300 0.051 0.000 1.148 119 P CA 1.114 64.226 63.100 0.021 0.000 0.822 119 P CB -0.058 31.650 31.700 0.013 0.000 0.784 120 E N -0.764 119.444 120.200 0.013 0.000 2.158 120 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 120 E C 2.043 178.763 176.600 0.199 0.000 0.982 120 E CA 0.662 57.116 56.400 0.089 0.000 0.823 120 E CB -0.678 28.993 29.700 -0.048 0.000 0.766 120 E HN 0.062 nan 8.360 nan 0.000 0.468 121 V N 1.771 121.724 119.914 0.065 0.000 2.244 121 V HA -0.272 3.848 4.120 -0.000 0.000 0.244 121 V C 1.746 178.010 176.094 0.283 0.000 1.042 121 V CA 2.026 64.470 62.300 0.240 0.000 1.006 121 V CB -0.662 31.248 31.823 0.145 0.000 0.641 121 V HN 0.269 nan 8.190 nan 0.000 0.446 122 N N -0.452 118.358 118.700 0.183 0.000 2.348 122 N HA -0.197 4.542 4.740 -0.000 0.000 0.185 122 N C 1.978 177.601 175.510 0.189 0.000 1.019 122 N CA 0.973 54.130 53.050 0.179 0.000 0.880 122 N CB -0.183 38.376 38.487 0.120 0.000 0.965 122 N HN 0.388 nan 8.380 nan 0.000 0.437 123 R N 0.867 121.482 120.500 0.192 0.000 2.062 123 R HA -0.037 4.303 4.340 -0.000 0.000 0.229 123 R C 1.636 178.053 176.300 0.195 0.000 1.128 123 R CA 1.067 57.267 56.100 0.167 0.000 0.960 123 R CB -0.188 30.207 30.300 0.157 0.000 0.855 123 R HN 0.044 nan 8.270 nan 0.000 0.432 124 V N 1.534 121.614 119.914 0.277 0.000 2.626 124 V HA -0.198 3.922 4.120 -0.000 0.000 0.252 124 V C 2.228 178.506 176.094 0.305 0.000 1.067 124 V CA 0.930 63.402 62.300 0.286 0.000 1.081 124 V CB -0.411 31.620 31.823 0.347 0.000 0.686 124 V HN 0.282 nan 8.190 nan 0.000 0.468 125 L N 1.146 122.559 121.223 0.318 0.000 2.072 125 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 125 L C 2.627 179.610 176.870 0.189 0.000 1.079 125 L CA 2.302 57.362 54.840 0.367 0.000 0.752 125 L CB -0.986 41.323 42.059 0.417 0.000 0.906 125 L HN 0.647 nan 8.230 nan 0.000 0.436 126 E N -0.785 119.491 120.200 0.128 0.000 2.150 126 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 126 E C 2.093 178.704 176.600 0.018 0.000 0.985 126 E CA 1.384 57.796 56.400 0.020 0.000 0.814 126 E CB -0.620 29.105 29.700 0.042 0.000 0.752 126 E HN 0.314 nan 8.360 nan 0.000 0.466 127 K N 0.046 120.504 120.400 0.098 0.000 2.097 127 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 127 K C 2.084 178.847 176.600 0.271 0.000 1.049 127 K CA 1.738 58.102 56.287 0.128 0.000 0.933 127 K CB -0.140 32.400 32.500 0.066 0.000 0.717 127 K HN 0.249 nan 8.250 nan 0.000 0.442 128 M N 0.235 119.988 119.600 0.256 0.000 2.132 128 M HA -0.169 4.311 4.480 -0.000 0.000 0.263 128 M C 2.223 178.454 176.300 -0.114 0.000 1.065 128 M CA 1.509 56.918 55.300 0.182 0.000 1.122 128 M CB -0.132 32.607 32.600 0.233 0.000 1.365 128 M HN 0.013 nan 8.290 nan 0.000 0.411 129 K N 0.423 120.496 120.400 -0.545 0.000 2.026 129 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 129 K C 2.031 178.477 176.600 -0.257 0.000 1.048 129 K CA 2.020 57.822 56.287 -0.808 0.000 0.929 129 K CB -0.029 31.943 32.500 -0.880 0.000 0.713 129 K HN 0.371 nan 8.250 nan 0.000 0.439 130 S N -0.135 115.511 115.700 -0.090 0.000 2.387 130 S HA -0.131 4.339 4.470 -0.000 0.000 0.226 130 S C 1.915 176.563 174.600 0.081 0.000 1.026 130 S CA 0.710 58.917 58.200 0.012 0.000 0.972 130 S CB -0.663 62.571 63.200 0.056 0.000 0.814 130 S HN 0.385 nan 8.310 nan 0.000 0.477 131 F N 2.038 121.995 119.950 0.011 0.000 2.171 131 F HA -0.067 4.459 4.527 -0.000 0.000 0.300 131 F C 2.365 178.114 175.800 -0.086 0.000 1.090 131 F CA 0.489 58.488 58.000 -0.001 0.000 1.293 131 F CB -0.846 38.234 39.000 0.134 0.000 1.013 131 F HN 0.270 nan 8.300 nan 0.000 0.486 132 C N 1.203 120.439 119.300 -0.107 0.000 2.436 132 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 132 C C 2.864 177.752 174.990 -0.170 0.000 1.241 132 C CA 1.348 60.261 59.018 -0.175 0.000 1.721 132 C CB -1.016 26.713 27.740 -0.018 0.000 2.043 132 C HN 0.472 nan 8.230 nan 0.000 0.472 133 K N 0.848 121.191 120.400 -0.096 0.000 2.063 133 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 133 K C 2.220 178.781 176.600 -0.064 0.000 1.048 133 K CA 1.519 57.773 56.287 -0.056 0.000 0.928 133 K CB -0.333 32.149 32.500 -0.030 0.000 0.713 133 K HN 0.442 nan 8.250 nan 0.000 0.442 134 R N 0.391 120.845 120.500 -0.078 0.000 2.073 134 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 134 R C 2.453 178.714 176.300 -0.065 0.000 1.134 134 R CA 1.236 57.324 56.100 -0.021 0.000 0.952 134 R CB -0.701 29.649 30.300 0.084 0.000 0.850 134 R HN 0.117 nan 8.270 nan 0.000 0.433 135 V N 0.931 120.665 119.914 -0.300 0.000 2.379 135 V HA -0.160 3.959 4.120 -0.000 0.000 0.245 135 V C 2.450 178.446 176.094 -0.163 0.000 1.044 135 V CA 1.469 63.575 62.300 -0.323 0.000 1.036 135 V CB -0.465 30.934 31.823 -0.707 0.000 0.664 135 V HN 0.260 nan 8.190 nan 0.000 0.453 136 R N 0.729 121.136 120.500 -0.154 0.000 2.120 136 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 136 R C 2.483 178.762 176.300 -0.036 0.000 1.123 136 R CA 1.673 57.726 56.100 -0.079 0.000 0.975 136 R CB -0.321 29.942 30.300 -0.061 0.000 0.866 136 R HN 0.697 nan 8.270 nan 0.000 0.446 137 S N -1.745 113.940 115.700 -0.026 0.000 2.470 137 S HA 0.105 4.575 4.470 -0.000 0.000 0.225 137 S C 1.457 176.064 174.600 0.011 0.000 1.006 137 S CA 0.581 58.780 58.200 -0.002 0.000 0.934 137 S CB 0.848 64.050 63.200 0.004 0.000 0.778 137 S HN 0.471 nan 8.310 nan 0.000 0.517 138 G N 0.836 109.648 108.800 0.019 0.000 2.179 138 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 138 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 138 G C 0.560 175.494 174.900 0.056 0.000 0.990 138 G CA 0.320 45.443 45.100 0.038 0.000 0.646 138 G HN 0.495 nan 8.290 nan 0.000 0.517 139 E N -1.011 119.226 120.200 0.062 0.000 2.077 139 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 139 E C 1.083 177.746 176.600 0.106 0.000 0.989 139 E CA 0.579 57.020 56.400 0.068 0.000 0.800 139 E CB 0.042 29.785 29.700 0.071 0.000 0.746 139 E HN 0.511 nan 8.360 nan 0.000 0.452 140 W N 3.260 124.527 121.300 -0.055 0.000 2.565 140 W HA 0.035 4.695 4.660 -0.000 0.000 0.325 140 W C -0.514 175.980 176.519 -0.042 0.000 1.408 140 W CA 0.223 57.538 57.345 -0.050 0.000 1.350 140 W CB 0.111 29.509 29.460 -0.103 0.000 1.426 140 W HN -0.124 nan 8.180 nan 0.000 0.538 141 K N 4.467 124.787 120.400 -0.134 0.000 2.166 141 K HA 0.567 4.887 4.320 -0.000 0.000 0.245 141 K C 0.473 177.005 176.600 -0.115 0.000 0.967 141 K CA -0.721 55.529 56.287 -0.061 0.000 0.863 141 K CB 1.605 34.072 32.500 -0.054 0.000 1.107 141 K HN 0.520 nan 8.250 nan 0.000 0.436 142 G N 0.207 109.022 108.800 0.025 0.000 2.588 142 G HA2 0.099 4.059 3.960 -0.000 0.000 0.281 142 G HA3 0.099 4.059 3.960 -0.000 0.000 0.281 142 G C 0.696 175.709 174.900 0.188 0.000 1.236 142 G CA -0.298 44.884 45.100 0.138 0.000 0.969 142 G HN 0.765 nan 8.290 nan 0.000 0.504 143 Y N -0.960 119.620 120.300 0.466 0.000 2.256 143 Y HA -0.087 4.463 4.550 -0.000 0.000 0.288 143 Y C 2.310 178.288 175.900 0.130 0.000 1.155 143 Y CA 1.458 59.721 58.100 0.272 0.000 1.203 143 Y CB -0.331 38.322 38.460 0.322 0.000 0.980 143 Y HN 0.308 nan 8.280 nan 0.000 0.530 144 S N -0.322 115.043 115.700 -0.557 0.000 2.660 144 S HA 0.424 4.893 4.470 -0.000 0.000 0.227 144 S C 1.483 175.993 174.600 -0.150 0.000 0.948 144 S CA -0.001 57.991 58.200 -0.346 0.000 0.948 144 S CB -0.570 62.352 63.200 -0.465 0.000 0.779 144 S HN 1.141 nan 8.310 nan 0.000 0.487 145 G N 0.869 109.619 108.800 -0.083 0.000 2.148 145 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 145 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 145 G C 0.006 174.886 174.900 -0.033 0.000 0.981 145 G CA 0.344 45.417 45.100 -0.045 0.000 0.670 145 G HN 0.591 nan 8.290 nan 0.000 0.528 146 K N 0.151 120.531 120.400 -0.034 0.000 2.109 146 K HA 0.607 4.927 4.320 -0.000 0.000 0.243 146 K C 0.455 177.082 176.600 0.045 0.000 1.006 146 K CA -0.375 55.911 56.287 -0.000 0.000 0.917 146 K CB 0.903 33.396 32.500 -0.011 0.000 1.081 146 K HN 0.126 nan 8.250 nan 0.000 0.468 147 S N 1.019 116.750 115.700 0.052 0.000 2.632 147 S HA 0.321 4.791 4.470 -0.000 0.000 0.271 147 S C 0.068 174.724 174.600 0.093 0.000 1.260 147 S CA -0.772 57.471 58.200 0.072 0.000 1.010 147 S CB 0.478 63.708 63.200 0.050 0.000 0.965 147 S HN 0.280 nan 8.310 nan 0.000 0.534 148 I N 2.821 123.451 120.570 0.100 0.000 2.441 148 I HA 0.173 4.343 4.170 -0.000 0.000 0.287 148 I C 1.558 177.713 176.117 0.063 0.000 1.049 148 I CA 0.057 61.412 61.300 0.092 0.000 1.381 148 I CB 0.232 38.264 38.000 0.053 0.000 1.409 148 I HN 0.826 nan 8.210 nan 0.000 0.523 149 T N 0.331 114.931 114.554 0.077 0.000 2.971 149 T HA 0.271 4.621 4.350 -0.000 0.000 0.252 149 T C 0.138 174.898 174.700 0.099 0.000 1.022 149 T CA -0.163 61.985 62.100 0.079 0.000 0.980 149 T CB 0.084 69.008 68.868 0.092 0.000 1.044 149 T HN 0.520 nan 8.240 nan 0.000 0.501 150 D N 0.432 120.886 120.400 0.091 0.000 2.964 150 D HA 0.589 5.229 4.640 -0.000 0.000 0.234 150 D C -1.487 174.810 176.300 -0.006 0.000 1.223 150 D CA -0.542 53.535 54.000 0.128 0.000 0.889 150 D CB 2.683 43.595 40.800 0.185 0.000 1.609 150 D HN 0.017 nan 8.370 nan 0.000 0.523 151 V N 2.452 122.350 119.914 -0.027 0.000 2.435 151 V HA 0.513 4.633 4.120 -0.000 0.000 0.290 151 V C -0.459 175.518 176.094 -0.195 0.000 1.030 151 V CA -0.639 61.566 62.300 -0.158 0.000 0.881 151 V CB 1.333 33.053 31.823 -0.172 0.000 0.983 151 V HN 0.455 nan 8.190 nan 0.000 0.445 152 I N 4.224 124.571 120.570 -0.371 0.000 2.420 152 I HA 0.348 4.518 4.170 -0.000 0.000 0.282 152 I C -0.060 175.894 176.117 -0.271 0.000 1.019 152 I CA -0.154 60.920 61.300 -0.375 0.000 1.130 152 I CB 1.393 38.966 38.000 -0.712 0.000 1.262 152 I HN 0.564 nan 8.210 nan 0.000 0.454 153 N N 6.558 125.061 118.700 -0.328 0.000 2.472 153 N HA 0.571 5.311 4.740 -0.000 0.000 0.277 153 N C -1.088 174.391 175.510 -0.051 0.000 1.081 153 N CA -0.066 52.869 53.050 -0.192 0.000 0.973 153 N CB 0.798 39.136 38.487 -0.248 0.000 1.105 153 N HN 0.457 nan 8.380 nan 0.000 0.470 154 I N 2.568 123.144 120.570 0.010 0.000 2.410 154 I HA 0.645 4.815 4.170 -0.000 0.000 0.286 154 I C 0.451 176.567 176.117 -0.002 0.000 1.009 154 I CA -0.451 60.855 61.300 0.009 0.000 1.111 154 I CB 1.649 39.661 38.000 0.020 0.000 1.262 154 I HN 0.655 nan 8.210 nan 0.000 0.443 155 G N 5.888 114.690 108.800 0.003 0.000 2.356 155 G HA2 0.548 4.508 3.960 -0.000 0.000 0.294 155 G HA3 0.548 4.508 3.960 -0.000 0.000 0.294 155 G C -2.172 172.733 174.900 0.008 0.000 1.423 155 G CA -0.502 44.596 45.100 -0.003 0.000 0.806 155 G HN 0.525 nan 8.290 nan 0.000 0.527 156 I N -0.269 120.299 120.570 -0.003 0.000 2.969 156 I HA 0.658 4.828 4.170 -0.000 0.000 0.307 156 I C 0.997 177.101 176.117 -0.021 0.000 1.149 156 I CA 0.780 62.078 61.300 -0.002 0.000 1.008 156 I CB 1.993 39.993 38.000 0.000 0.000 1.232 156 I HN 2.104 nan 8.210 nan 0.000 0.435 157 G N 3.785 112.563 108.800 -0.036 0.000 2.565 157 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.295 157 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.295 157 G C 0.868 175.715 174.900 -0.090 0.000 1.165 157 G CA 0.464 45.523 45.100 -0.068 0.000 0.977 157 G HN 1.330 nan 8.290 nan 0.000 0.546 158 G N -0.484 108.262 108.800 -0.090 0.000 2.442 158 G HA2 0.056 4.016 3.960 -0.000 0.000 0.219 158 G HA3 0.056 4.016 3.960 -0.000 0.000 0.219 158 G C 1.876 176.726 174.900 -0.083 0.000 1.141 158 G CA 2.027 47.062 45.100 -0.108 0.000 0.763 158 G HN 1.363 nan 8.290 nan 0.000 0.554 159 S N -0.212 115.461 115.700 -0.046 0.000 2.660 159 S HA 0.118 4.588 4.470 -0.000 0.000 0.223 159 S C 1.190 175.781 174.600 -0.015 0.000 0.963 159 S CA 0.978 59.162 58.200 -0.027 0.000 0.932 159 S CB 0.084 63.293 63.200 0.014 0.000 0.775 159 S HN 0.622 nan 8.310 nan 0.000 0.531 160 D N 0.091 120.464 120.400 -0.044 0.000 3.195 160 D HA 0.134 4.774 4.640 -0.000 0.000 0.245 160 D C 1.662 177.874 176.300 -0.146 0.000 1.462 160 D CA -0.175 53.795 54.000 -0.049 0.000 1.259 160 D CB -0.364 40.427 40.800 -0.016 0.000 1.199 160 D HN -0.029 nan 8.370 nan 0.000 0.345 161 L N 1.430 122.579 121.223 -0.122 0.000 2.021 161 L HA -0.027 4.313 4.340 -0.000 0.000 0.215 161 L C 2.440 179.228 176.870 -0.136 0.000 1.074 161 L CA 2.332 57.106 54.840 -0.110 0.000 0.760 161 L CB -1.788 40.242 42.059 -0.049 0.000 0.889 161 L HN 0.348 nan 8.230 nan 0.000 0.433 162 G N -0.059 108.684 108.800 -0.095 0.000 2.511 162 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 162 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 162 G C -0.487 174.198 174.900 -0.358 0.000 1.218 162 G CA 0.876 45.812 45.100 -0.272 0.000 0.788 162 G HN 0.317 nan 8.290 nan 0.000 0.560 163 P HA -0.126 nan 4.420 nan 0.000 0.216 163 P C 2.131 179.146 177.300 -0.475 0.000 1.157 163 P CA 0.841 63.808 63.100 -0.223 0.000 0.880 163 P CB -0.165 31.543 31.700 0.013 0.000 0.791 164 L N -1.668 119.012 121.223 -0.905 0.000 2.017 164 L HA -0.162 4.177 4.340 -0.000 0.000 0.208 164 L C 2.340 178.921 176.870 -0.483 0.000 1.073 164 L CA 1.727 55.953 54.840 -1.022 0.000 0.745 164 L CB -0.613 40.872 42.059 -0.955 0.000 0.894 164 L HN -0.035 nan 8.230 nan 0.000 0.432 165 M N -0.598 118.760 119.600 -0.403 0.000 2.108 165 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 165 M C 2.094 178.247 176.300 -0.245 0.000 1.066 165 M CA 2.017 57.131 55.300 -0.309 0.000 1.107 165 M CB -0.464 31.916 32.600 -0.367 0.000 1.356 165 M HN 0.226 nan 8.290 nan 0.000 0.406 166 V N 0.649 120.396 119.914 -0.278 0.000 2.379 166 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 166 V C 2.624 178.666 176.094 -0.086 0.000 1.044 166 V CA 2.113 64.299 62.300 -0.189 0.000 1.036 166 V CB -1.545 30.146 31.823 -0.221 0.000 0.664 166 V HN 0.669 nan 8.190 nan 0.000 0.453 167 T N -1.912 112.602 114.554 -0.066 0.000 2.777 167 T HA -0.196 4.153 4.350 -0.000 0.000 0.266 167 T C 1.739 176.466 174.700 0.045 0.000 1.040 167 T CA 1.315 63.451 62.100 0.061 0.000 1.141 167 T CB -0.360 68.572 68.868 0.107 0.000 0.868 167 T HN 0.397 nan 8.240 nan 0.000 0.444 168 E N 1.784 121.976 120.200 -0.014 0.000 2.160 168 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 168 E C 2.486 179.126 176.600 0.066 0.000 0.991 168 E CA 1.372 57.808 56.400 0.060 0.000 0.810 168 E CB -0.520 29.196 29.700 0.026 0.000 0.742 168 E HN 0.739 nan 8.360 nan 0.000 0.466 169 A N 0.202 123.027 122.820 0.009 0.000 1.975 169 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 169 A C 1.646 179.172 177.584 -0.096 0.000 1.170 169 A CA 0.425 52.472 52.037 0.017 0.000 0.656 169 A CB 0.123 19.137 19.000 0.024 0.000 0.821 169 A HN 0.095 nan 8.150 nan 0.000 0.449 170 L N -0.152 121.041 121.223 -0.050 0.000 2.728 170 L HA 0.243 4.583 4.340 -0.000 0.000 0.235 170 L C 1.530 178.397 176.870 -0.004 0.000 1.197 170 L CA 0.399 55.266 54.840 0.044 0.000 0.992 170 L CB -0.573 41.515 42.059 0.049 0.000 1.263 170 L HN 0.186 nan 8.230 nan 0.000 0.484 171 K N 1.439 121.696 120.400 -0.239 0.000 2.052 171 K HA -0.187 4.133 4.320 -0.000 0.000 0.215 171 K C -0.553 175.911 176.600 -0.226 0.000 1.053 171 K CA 2.034 58.185 56.287 -0.226 0.000 0.934 171 K CB -1.204 31.101 32.500 -0.325 0.000 0.717 171 K HN 0.165 nan 8.250 nan 0.000 0.450 172 P HA -0.151 nan 4.420 nan 0.000 0.218 172 P C 0.303 177.337 177.300 -0.444 0.000 1.146 172 P CA 1.262 64.124 63.100 -0.396 0.000 0.813 172 P CB -0.051 31.285 31.700 -0.607 0.000 0.778 173 Y N -0.891 119.316 120.300 -0.155 0.000 2.477 173 Y HA 0.073 4.622 4.550 -0.000 0.000 0.303 173 Y C 1.593 177.388 175.900 -0.175 0.000 1.202 173 Y CA 0.432 58.454 58.100 -0.130 0.000 1.282 173 Y CB -0.806 37.594 38.460 -0.101 0.000 1.071 173 Y HN 0.052 nan 8.280 nan 0.000 0.510 174 S N -1.961 113.642 115.700 -0.161 0.000 2.602 174 S HA 0.402 4.871 4.470 -0.000 0.000 0.240 174 S C 1.696 176.159 174.600 -0.228 0.000 0.992 174 S CA 0.036 58.037 58.200 -0.332 0.000 0.971 174 S CB 0.150 62.916 63.200 -0.723 0.000 0.855 174 S HN 0.262 nan 8.310 nan 0.000 0.481 175 A N 1.990 124.732 122.820 -0.129 0.000 1.933 175 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 175 A C 1.828 179.374 177.584 -0.062 0.000 1.175 175 A CA 1.379 53.367 52.037 -0.082 0.000 0.628 175 A CB -0.448 18.515 19.000 -0.061 0.000 0.814 175 A HN 0.556 nan 8.150 nan 0.000 0.444 176 E N -0.368 119.796 120.200 -0.061 0.000 2.489 176 E HA 0.272 4.622 4.350 -0.000 0.000 0.193 176 E C 0.839 177.415 176.600 -0.040 0.000 1.057 176 E CA 0.398 56.776 56.400 -0.037 0.000 0.866 176 E CB 0.243 29.931 29.700 -0.021 0.000 0.916 176 E HN 0.501 nan 8.360 nan 0.000 0.500 177 G N 1.624 110.381 108.800 -0.072 0.000 2.441 177 G HA2 0.459 4.419 3.960 -0.000 0.000 0.334 177 G HA3 0.459 4.419 3.960 -0.000 0.000 0.334 177 G C -2.476 172.432 174.900 0.013 0.000 1.161 177 G CA -1.563 43.508 45.100 -0.048 0.000 0.935 177 G HN -0.118 nan 8.290 nan 0.000 0.488 178 P HA 0.188 nan 4.420 nan 0.000 0.272 178 P C -0.283 177.091 177.300 0.123 0.000 1.240 178 P CA -0.354 62.784 63.100 0.063 0.000 0.791 178 P CB 1.144 32.857 31.700 0.022 0.000 0.978 179 R N 0.072 120.602 120.500 0.050 0.000 2.594 179 R HA 0.328 4.667 4.340 -0.000 0.000 0.272 179 R C 0.100 176.226 176.300 -0.290 0.000 1.074 179 R CA -0.572 55.467 56.100 -0.102 0.000 1.105 179 R CB 0.186 30.410 30.300 -0.126 0.000 1.008 179 R HN 0.345 nan 8.270 nan 0.000 0.472 180 V N -0.665 118.885 119.914 -0.607 0.000 2.667 180 V HA 0.631 4.751 4.120 -0.000 0.000 0.308 180 V C -0.982 174.633 176.094 -0.798 0.000 1.048 180 V CA -1.186 60.730 62.300 -0.639 0.000 0.928 180 V CB 1.256 32.643 31.823 -0.726 0.000 1.004 180 V HN 0.676 nan 8.190 nan 0.000 0.444 181 W N 1.907 122.864 121.300 -0.571 0.000 2.844 181 W HA 0.801 5.461 4.660 -0.000 0.000 0.340 181 W C -1.222 174.911 176.519 -0.645 0.000 1.093 181 W CA -0.803 56.303 57.345 -0.400 0.000 1.212 181 W CB 1.850 31.149 29.460 -0.269 0.000 1.422 181 W HN 0.461 nan 8.180 nan 0.000 0.515 182 F N 2.275 122.281 119.950 0.092 0.000 2.500 182 F HA 0.501 5.027 4.527 -0.000 0.000 0.349 182 F C -0.278 175.463 175.800 -0.098 0.000 1.127 182 F CA -1.079 56.920 58.000 -0.002 0.000 0.998 182 F CB 1.081 40.072 39.000 -0.016 0.000 1.237 182 F HN -0.165 nan 8.300 nan 0.000 0.439 183 V N 3.254 123.114 119.914 -0.089 0.000 2.347 183 V HA 0.325 4.445 4.120 -0.000 0.000 0.280 183 V C 0.244 176.177 176.094 -0.268 0.000 1.021 183 V CA 0.061 62.084 62.300 -0.461 0.000 0.847 183 V CB 1.258 32.894 31.823 -0.313 0.000 0.990 183 V HN 0.925 nan 8.190 nan 0.000 0.444 184 S N 3.058 118.605 115.700 -0.254 0.000 3.056 184 S HA 0.151 4.621 4.470 -0.000 0.000 0.255 184 S C 0.775 175.452 174.600 0.130 0.000 1.079 184 S CA -0.246 57.977 58.200 0.038 0.000 0.810 184 S CB -0.101 63.172 63.200 0.122 0.000 0.810 184 S HN 0.559 nan 8.310 nan 0.000 0.477 185 N N 1.657 120.584 118.700 0.379 0.000 2.441 185 N HA 0.143 4.883 4.740 -0.000 0.000 0.251 185 N C 0.769 176.367 175.510 0.146 0.000 1.242 185 N CA -0.123 53.066 53.050 0.231 0.000 0.898 185 N CB 0.773 39.373 38.487 0.189 0.000 1.100 185 N HN 0.262 nan 8.380 nan 0.000 0.443 186 I N 1.664 122.278 120.570 0.074 0.000 2.493 186 I HA -0.126 4.044 4.170 -0.000 0.000 0.254 186 I C 0.313 176.462 176.117 0.054 0.000 1.160 186 I CA 0.689 62.016 61.300 0.046 0.000 1.445 186 I CB -0.599 37.416 38.000 0.025 0.000 1.086 186 I HN 0.549 nan 8.210 nan 0.000 0.433 187 D N 0.812 121.250 120.400 0.063 0.000 2.661 187 D HA -0.067 4.573 4.640 -0.000 0.000 0.244 187 D C 1.620 177.963 176.300 0.072 0.000 1.196 187 D CA 0.902 54.934 54.000 0.054 0.000 0.881 187 D CB 0.658 41.480 40.800 0.038 0.000 1.141 187 D HN 0.380 nan 8.370 nan 0.000 0.530 188 G N 3.432 112.260 108.800 0.046 0.000 2.517 188 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.222 188 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.222 188 G C 1.523 176.453 174.900 0.049 0.000 1.109 188 G CA 1.270 46.394 45.100 0.040 0.000 0.746 188 G HN 0.580 nan 8.290 nan 0.000 0.576 189 T N -0.088 114.499 114.554 0.054 0.000 2.665 189 T HA -0.184 4.165 4.350 -0.000 0.000 0.268 189 T C 2.091 176.856 174.700 0.108 0.000 1.035 189 T CA 1.576 63.709 62.100 0.056 0.000 1.151 189 T CB -0.355 68.533 68.868 0.034 0.000 0.862 189 T HN 0.387 nan 8.240 nan 0.000 0.438 190 H N 0.381 119.456 119.070 0.008 0.000 2.290 190 H HA -0.021 4.535 4.556 -0.000 0.000 0.298 190 H C 2.173 177.498 175.328 -0.005 0.000 1.087 190 H CA 1.263 57.321 56.048 0.017 0.000 1.291 190 H CB -0.632 29.145 29.762 0.025 0.000 1.369 190 H HN 0.249 nan 8.280 nan 0.000 0.492 191 I N 0.482 121.090 120.570 0.064 0.000 2.406 191 I HA -0.053 4.117 4.170 -0.000 0.000 0.249 191 I C 2.470 178.538 176.117 -0.082 0.000 1.122 191 I CA 1.278 62.545 61.300 -0.055 0.000 1.431 191 I CB -0.839 37.126 38.000 -0.058 0.000 1.087 191 I HN 0.267 nan 8.210 nan 0.000 0.424 192 A N 1.110 123.912 122.820 -0.030 0.000 1.902 192 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 192 A C 2.284 179.836 177.584 -0.053 0.000 1.181 192 A CA 2.053 54.064 52.037 -0.043 0.000 0.623 192 A CB -0.741 18.257 19.000 -0.003 0.000 0.818 192 A HN 0.599 nan 8.150 nan 0.000 0.443 193 K N -1.224 119.169 120.400 -0.011 0.000 2.288 193 K HA -0.031 4.289 4.320 -0.000 0.000 0.201 193 K C 1.575 178.136 176.600 -0.066 0.000 1.048 193 K CA 1.711 57.997 56.287 -0.003 0.000 0.956 193 K CB -0.510 32.023 32.500 0.055 0.000 0.746 193 K HN 0.272 nan 8.250 nan 0.000 0.461 194 T N 1.965 116.440 114.554 -0.130 0.000 2.770 194 T HA 0.070 4.420 4.350 -0.000 0.000 0.258 194 T C 1.794 176.210 174.700 -0.472 0.000 1.039 194 T CA 0.950 62.851 62.100 -0.332 0.000 1.143 194 T CB -0.171 68.518 68.868 -0.298 0.000 0.866 194 T HN 0.097 nan 8.240 nan 0.000 0.428 195 L N 1.128 122.082 121.223 -0.449 0.000 2.191 195 L HA 0.005 4.345 4.340 -0.000 0.000 0.212 195 L C 2.738 179.445 176.870 -0.271 0.000 1.103 195 L CA 0.881 55.350 54.840 -0.618 0.000 0.769 195 L CB -0.637 40.824 42.059 -0.998 0.000 0.908 195 L HN 0.223 nan 8.230 nan 0.000 0.438 196 A N -0.394 122.333 122.820 -0.155 0.000 2.239 196 A HA -0.039 4.281 4.320 -0.000 0.000 0.209 196 A C 1.849 179.431 177.584 -0.004 0.000 1.171 196 A CA 1.425 53.457 52.037 -0.009 0.000 0.768 196 A CB -0.662 18.341 19.000 0.005 0.000 0.790 196 A HN 0.501 nan 8.150 nan 0.000 0.478 197 T N -3.348 111.152 114.554 -0.090 0.000 3.003 197 T HA 0.408 4.758 4.350 -0.000 0.000 0.261 197 T C 0.143 174.803 174.700 -0.066 0.000 1.003 197 T CA -0.384 61.675 62.100 -0.069 0.000 0.917 197 T CB 0.041 68.845 68.868 -0.106 0.000 1.084 197 T HN 0.033 nan 8.240 nan 0.000 0.522 198 L N 2.893 124.063 121.223 -0.088 0.000 2.421 198 L HA 0.588 4.928 4.340 -0.000 0.000 0.263 198 L C 0.078 177.099 176.870 0.251 0.000 1.122 198 L CA -0.824 54.012 54.840 -0.007 0.000 0.804 198 L CB 0.690 42.670 42.059 -0.132 0.000 1.150 198 L HN 0.180 nan 8.230 nan 0.000 0.457 199 N N 1.914 120.747 118.700 0.221 0.000 2.417 199 N HA 0.407 5.146 4.740 -0.000 0.000 0.274 199 N C -2.217 173.475 175.510 0.303 0.000 0.987 199 N CA -1.982 51.207 53.050 0.231 0.000 0.912 199 N CB 1.933 40.497 38.487 0.127 0.000 1.177 199 N HN 0.182 nan 8.380 nan 0.000 0.490 200 P HA -0.055 nan 4.420 nan 0.000 0.220 200 P C 0.467 177.968 177.300 0.335 0.000 1.148 200 P CA 1.103 64.374 63.100 0.284 0.000 0.803 200 P CB 0.421 31.989 31.700 -0.220 0.000 0.782 201 E N -0.344 119.978 120.200 0.205 0.000 2.110 201 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 201 E C 1.105 177.843 176.600 0.230 0.000 0.988 201 E CA 1.539 57.969 56.400 0.049 0.000 0.804 201 E CB -0.190 29.419 29.700 -0.152 0.000 0.745 201 E HN 0.295 nan 8.360 nan 0.000 0.458 202 S N -0.480 115.354 115.700 0.223 0.000 2.588 202 S HA 0.291 4.761 4.470 -0.000 0.000 0.245 202 S C 0.006 174.743 174.600 0.229 0.000 1.021 202 S CA -0.690 57.642 58.200 0.219 0.000 1.006 202 S CB 0.867 64.144 63.200 0.128 0.000 0.830 202 S HN -0.141 nan 8.310 nan 0.000 0.468 203 S N 1.626 117.515 115.700 0.316 0.000 2.537 203 S HA 0.755 5.225 4.470 -0.000 0.000 0.301 203 S C -0.951 173.750 174.600 0.169 0.000 1.092 203 S CA -0.745 57.547 58.200 0.152 0.000 1.048 203 S CB 1.755 65.028 63.200 0.122 0.000 1.053 203 S HN 0.537 nan 8.310 nan 0.000 0.501 204 L N 2.427 123.575 121.223 -0.124 0.000 2.409 204 L HA 0.666 5.006 4.340 -0.000 0.000 0.272 204 L C -1.928 174.685 176.870 -0.428 0.000 0.980 204 L CA -0.432 54.319 54.840 -0.148 0.000 0.826 204 L CB 0.749 42.765 42.059 -0.072 0.000 1.268 204 L HN 0.565 nan 8.230 nan 0.000 0.407 205 F N 5.583 125.301 119.950 -0.386 0.000 2.420 205 F HA 0.542 5.069 4.527 -0.000 0.000 0.342 205 F C 0.066 175.733 175.800 -0.222 0.000 1.113 205 F CA -0.281 57.483 58.000 -0.394 0.000 1.059 205 F CB 1.413 39.995 39.000 -0.697 0.000 1.128 205 F HN 0.247 nan 8.300 nan 0.000 0.475 206 I N 5.097 125.686 120.570 0.032 0.000 2.362 206 I HA 0.282 4.452 4.170 -0.000 0.000 0.289 206 I C -0.824 175.342 176.117 0.082 0.000 0.994 206 I CA -0.614 60.707 61.300 0.035 0.000 1.158 206 I CB 1.204 39.172 38.000 -0.053 0.000 1.315 206 I HN 0.302 nan 8.210 nan 0.000 0.451 207 I N 6.377 127.026 120.570 0.132 0.000 2.307 207 I HA 0.321 4.490 4.170 -0.000 0.000 0.287 207 I C 0.606 176.809 176.117 0.143 0.000 1.054 207 I CA -0.517 60.844 61.300 0.101 0.000 1.218 207 I CB 0.701 38.748 38.000 0.079 0.000 1.398 207 I HN 0.509 nan 8.210 nan 0.000 0.475 208 A N 4.826 127.695 122.820 0.081 0.000 2.366 208 A HA 0.581 4.901 4.320 -0.000 0.000 0.322 208 A C 0.244 177.899 177.584 0.118 0.000 1.397 208 A CA -0.242 51.865 52.037 0.117 0.000 0.984 208 A CB 0.366 19.405 19.000 0.066 0.000 1.149 208 A HN 0.603 nan 8.150 nan 0.000 0.540 209 S N 1.991 117.817 115.700 0.209 0.000 2.668 209 S HA 0.297 4.767 4.470 -0.000 0.000 0.277 209 S C 0.711 175.433 174.600 0.203 0.000 1.170 209 S CA -0.563 57.731 58.200 0.158 0.000 0.994 209 S CB 1.178 64.368 63.200 -0.017 0.000 1.051 209 S HN 0.767 nan 8.310 nan 0.000 0.484 210 K N 2.384 122.900 120.400 0.192 0.000 2.097 210 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 210 K C 1.626 178.181 176.600 -0.075 0.000 1.049 210 K CA 2.296 58.599 56.287 0.028 0.000 0.933 210 K CB -0.305 32.302 32.500 0.178 0.000 0.717 210 K HN 0.749 nan 8.250 nan 0.000 0.442 211 T N -3.341 111.224 114.554 0.019 0.000 3.037 211 T HA 0.031 4.381 4.350 -0.000 0.000 0.252 211 T C 0.768 175.539 174.700 0.118 0.000 1.073 211 T CA 0.142 62.254 62.100 0.021 0.000 1.091 211 T CB -0.250 68.630 68.868 0.020 0.000 0.935 211 T HN 0.323 nan 8.240 nan 0.000 0.488 212 F N 2.096 121.998 119.950 -0.080 0.000 3.058 212 F HA -0.278 4.249 4.527 -0.000 0.000 0.295 212 F C 0.795 176.561 175.800 -0.057 0.000 0.875 212 F CA 0.995 58.945 58.000 -0.084 0.000 1.150 212 F CB -1.520 37.420 39.000 -0.099 0.000 1.175 212 F HN 0.521 nan 8.300 nan 0.000 0.599 213 T N -3.972 110.544 114.554 -0.063 0.000 3.253 213 T HA 0.198 4.548 4.350 -0.000 0.000 0.299 213 T C 0.360 175.021 174.700 -0.066 0.000 0.927 213 T CA 0.463 62.531 62.100 -0.053 0.000 0.926 213 T CB 0.081 68.957 68.868 0.013 0.000 1.183 213 T HN 0.120 nan 8.240 nan 0.000 0.557 214 T N 2.819 117.317 114.554 -0.093 0.000 2.853 214 T HA 0.136 4.486 4.350 -0.000 0.000 0.298 214 T C 1.250 175.903 174.700 -0.077 0.000 0.978 214 T CA -0.078 61.981 62.100 -0.068 0.000 1.152 214 T CB 1.692 70.518 68.868 -0.070 0.000 0.914 214 T HN 0.409 nan 8.240 nan 0.000 0.539 215 Q N 2.537 122.311 119.800 -0.044 0.000 2.002 215 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 215 Q C 2.339 178.311 176.000 -0.046 0.000 0.988 215 Q CA 1.764 57.544 55.803 -0.038 0.000 0.843 215 Q CB 0.017 28.745 28.738 -0.016 0.000 0.908 215 Q HN 0.828 nan 8.270 nan 0.000 0.420 216 E N -0.576 119.603 120.200 -0.035 0.000 2.153 216 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 216 E C 1.854 178.421 176.600 -0.055 0.000 0.988 216 E CA 1.699 58.082 56.400 -0.029 0.000 0.811 216 E CB -0.619 29.076 29.700 -0.008 0.000 0.746 216 E HN 0.318 nan 8.360 nan 0.000 0.466 217 T N 2.024 116.527 114.554 -0.085 0.000 2.746 217 T HA -0.045 4.305 4.350 -0.000 0.000 0.267 217 T C 1.988 176.572 174.700 -0.194 0.000 1.039 217 T CA 1.200 63.221 62.100 -0.131 0.000 1.142 217 T CB -0.042 68.727 68.868 -0.164 0.000 0.866 217 T HN 0.134 nan 8.240 nan 0.000 0.444 218 I N 1.699 122.141 120.570 -0.214 0.000 2.439 218 I HA -0.080 4.090 4.170 -0.000 0.000 0.251 218 I C 2.883 178.947 176.117 -0.089 0.000 1.139 218 I CA 1.477 62.635 61.300 -0.236 0.000 1.438 218 I CB -1.316 36.555 38.000 -0.215 0.000 1.085 218 I HN 0.395 nan 8.210 nan 0.000 0.427 219 T N -0.767 113.755 114.554 -0.054 0.000 3.043 219 T HA -0.032 4.318 4.350 -0.000 0.000 0.263 219 T C 1.611 176.306 174.700 -0.009 0.000 1.094 219 T CA 0.818 62.912 62.100 -0.011 0.000 1.127 219 T CB -0.098 68.767 68.868 -0.004 0.000 0.905 219 T HN 0.146 nan 8.240 nan 0.000 0.490 220 N N 1.642 120.322 118.700 -0.034 0.000 2.171 220 N HA 0.128 4.868 4.740 -0.000 0.000 0.184 220 N C 2.274 177.767 175.510 -0.029 0.000 1.021 220 N CA 1.375 54.405 53.050 -0.034 0.000 0.854 220 N CB -0.702 37.757 38.487 -0.047 0.000 0.994 220 N HN 0.597 nan 8.380 nan 0.000 0.426 221 A N 1.186 123.978 122.820 -0.046 0.000 1.908 221 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 221 A C 2.098 179.777 177.584 0.158 0.000 1.181 221 A CA 1.556 53.589 52.037 -0.006 0.000 0.627 221 A CB -0.475 18.376 19.000 -0.248 0.000 0.818 221 A HN 0.345 nan 8.150 nan 0.000 0.445 222 E N -1.323 118.974 120.200 0.162 0.000 2.112 222 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 222 E C 2.053 178.689 176.600 0.061 0.000 0.979 222 E CA 1.277 57.760 56.400 0.138 0.000 0.814 222 E CB -0.163 29.595 29.700 0.096 0.000 0.762 222 E HN 0.553 nan 8.360 nan 0.000 0.460 223 T N 0.693 115.270 114.554 0.039 0.000 2.746 223 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 223 T C 1.953 176.679 174.700 0.043 0.000 1.039 223 T CA 1.161 63.281 62.100 0.034 0.000 1.142 223 T CB -0.244 68.632 68.868 0.012 0.000 0.866 223 T HN 0.250 nan 8.240 nan 0.000 0.444 224 A N 1.601 124.406 122.820 -0.026 0.000 1.883 224 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 224 A C 2.209 179.851 177.584 0.097 0.000 1.186 224 A CA 2.195 54.149 52.037 -0.138 0.000 0.624 224 A CB -0.608 18.089 19.000 -0.505 0.000 0.822 224 A HN 0.484 nan 8.150 nan 0.000 0.444 225 K N -0.656 119.799 120.400 0.092 0.000 2.063 225 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 225 K C 2.149 178.837 176.600 0.147 0.000 1.048 225 K CA 1.563 57.883 56.287 0.054 0.000 0.928 225 K CB -0.143 32.238 32.500 -0.199 0.000 0.713 225 K HN 0.566 nan 8.250 nan 0.000 0.442 226 E N -0.336 119.926 120.200 0.105 0.000 2.051 226 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 226 E C 1.728 178.419 176.600 0.152 0.000 0.991 226 E CA 1.461 57.913 56.400 0.086 0.000 0.799 226 E CB -0.238 29.498 29.700 0.061 0.000 0.748 226 E HN 0.489 nan 8.360 nan 0.000 0.449 227 W N 0.545 121.865 121.300 0.033 0.000 2.338 227 W HA -0.263 4.397 4.660 -0.000 0.000 0.304 227 W C 2.027 178.596 176.519 0.083 0.000 1.212 227 W CA 1.891 59.264 57.345 0.047 0.000 1.264 227 W CB -0.605 28.889 29.460 0.058 0.000 1.142 227 W HN 0.107 nan 8.180 nan 0.000 0.512 228 F N 0.751 120.809 119.950 0.180 0.000 2.113 228 F HA -0.105 4.422 4.527 -0.000 0.000 0.297 228 F C 1.941 177.620 175.800 -0.202 0.000 1.103 228 F CA 2.022 60.003 58.000 -0.032 0.000 1.248 228 F CB -0.738 38.446 39.000 0.306 0.000 0.999 228 F HN -0.200 nan 8.300 nan 0.000 0.475 229 L N 0.147 121.296 121.223 -0.124 0.000 2.456 229 L HA -0.145 4.195 4.340 -0.000 0.000 0.224 229 L C 2.240 178.911 176.870 -0.332 0.000 1.148 229 L CA 0.718 55.374 54.840 -0.307 0.000 0.825 229 L CB -0.705 41.298 42.059 -0.094 0.000 0.937 229 L HN 0.289 nan 8.230 nan 0.000 0.450 230 Q N -0.835 118.784 119.800 -0.302 0.000 2.119 230 Q HA -0.135 4.205 4.340 -0.000 0.000 0.201 230 Q C 2.314 178.115 176.000 -0.332 0.000 0.972 230 Q CA 1.711 57.358 55.803 -0.261 0.000 0.847 230 Q CB 0.128 28.730 28.738 -0.228 0.000 0.903 230 Q HN 0.424 nan 8.270 nan 0.000 0.433 231 S N -0.165 115.244 115.700 -0.486 0.000 2.412 231 S HA 0.063 4.532 4.470 -0.000 0.000 0.223 231 S C 1.924 176.210 174.600 -0.524 0.000 1.048 231 S CA 0.584 58.519 58.200 -0.441 0.000 0.954 231 S CB -0.022 62.909 63.200 -0.449 0.000 0.840 231 S HN 0.442 nan 8.310 nan 0.000 0.503 232 A N 1.385 123.650 122.820 -0.925 0.000 1.930 232 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 232 A C 1.265 178.521 177.584 -0.547 0.000 1.175 232 A CA 1.492 52.865 52.037 -1.107 0.000 0.627 232 A CB -0.382 17.581 19.000 -1.728 0.000 0.815 232 A HN 0.451 nan 8.150 nan 0.000 0.443 233 K N -1.621 118.526 120.400 -0.422 0.000 3.548 233 K HA -0.254 4.066 4.320 -0.000 0.000 0.303 233 K C -0.361 176.138 176.600 -0.168 0.000 1.234 233 K CA 1.511 57.655 56.287 -0.238 0.000 1.024 233 K CB -1.299 31.095 32.500 -0.177 0.000 1.306 233 K HN 0.680 nan 8.250 nan 0.000 0.423 234 D N -0.092 120.200 120.400 -0.180 0.000 2.381 234 D HA 0.240 4.880 4.640 -0.000 0.000 0.235 234 D C -1.790 174.489 176.300 -0.035 0.000 1.068 234 D CA -2.516 51.434 54.000 -0.083 0.000 0.832 234 D CB 1.650 42.422 40.800 -0.045 0.000 1.101 234 D HN -0.255 nan 8.370 nan 0.000 0.515 235 P HA -0.153 nan 4.420 nan 0.000 0.217 235 P C 1.111 178.446 177.300 0.058 0.000 1.148 235 P CA 1.087 64.194 63.100 0.011 0.000 0.828 235 P CB 0.106 31.794 31.700 -0.019 0.000 0.783 236 S N -1.096 114.638 115.700 0.056 0.000 2.522 236 S HA 0.077 4.547 4.470 -0.000 0.000 0.227 236 S C 1.929 176.622 174.600 0.155 0.000 0.986 236 S CA 0.609 58.859 58.200 0.083 0.000 0.929 236 S CB -1.054 62.179 63.200 0.056 0.000 0.769 236 S HN 0.108 nan 8.310 nan 0.000 0.529 237 A N 1.244 124.182 122.820 0.197 0.000 2.125 237 A HA 0.142 4.462 4.320 -0.000 0.000 0.219 237 A C 2.163 180.074 177.584 0.545 0.000 1.156 237 A CA 1.055 53.304 52.037 0.352 0.000 0.671 237 A CB -0.845 18.294 19.000 0.231 0.000 0.794 237 A HN 0.443 nan 8.150 nan 0.000 0.459 238 V N -0.354 119.804 119.914 0.406 0.000 2.490 238 V HA -0.250 3.869 4.120 -0.000 0.000 0.250 238 V C 2.969 179.269 176.094 0.344 0.000 1.061 238 V CA 1.766 64.254 62.300 0.314 0.000 1.064 238 V CB -0.855 31.023 31.823 0.092 0.000 0.670 238 V HN 0.619 nan 8.190 nan 0.000 0.461 239 A N -0.155 122.825 122.820 0.267 0.000 2.070 239 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 239 A C 2.083 179.856 177.584 0.316 0.000 1.159 239 A CA 1.636 53.822 52.037 0.248 0.000 0.656 239 A CB -0.307 18.787 19.000 0.156 0.000 0.800 239 A HN 0.627 nan 8.150 nan 0.000 0.453 240 K N -1.393 119.186 120.400 0.298 0.000 2.374 240 K HA 0.137 4.457 4.320 -0.000 0.000 0.196 240 K C 0.653 177.378 176.600 0.208 0.000 1.023 240 K CA 0.403 56.828 56.287 0.231 0.000 1.103 240 K CB 0.167 32.636 32.500 -0.052 0.000 0.848 240 K HN 0.569 nan 8.250 nan 0.000 0.528 241 H N -1.141 118.163 119.070 0.391 0.000 3.170 241 H HA 0.219 4.775 4.556 -0.000 0.000 0.264 241 H C -0.612 174.650 175.328 -0.109 0.000 1.113 241 H CA 0.035 56.174 56.048 0.153 0.000 1.194 241 H CB 0.696 30.387 29.762 -0.118 0.000 1.553 241 H HN -0.024 nan 8.280 nan 0.000 0.538 242 F N 1.670 121.755 119.950 0.224 0.000 2.539 242 F HA 0.366 4.893 4.527 -0.000 0.000 0.318 242 F C 0.078 175.983 175.800 0.175 0.000 1.135 242 F CA -1.180 56.941 58.000 0.202 0.000 0.915 242 F CB 2.089 41.197 39.000 0.180 0.000 1.176 242 F HN -0.249 nan 8.300 nan 0.000 0.440 243 V N 0.245 120.310 119.914 0.251 0.000 3.074 243 V HA 1.029 5.149 4.120 -0.000 0.000 0.314 243 V C -0.928 175.264 176.094 0.163 0.000 1.117 243 V CA -1.056 61.339 62.300 0.158 0.000 1.014 243 V CB 1.561 33.403 31.823 0.032 0.000 1.057 243 V HN 0.945 nan 8.190 nan 0.000 0.438 244 A N 2.850 125.749 122.820 0.131 0.000 2.435 244 A HA 0.915 5.235 4.320 -0.000 0.000 0.304 244 A C -1.031 176.618 177.584 0.108 0.000 1.064 244 A CA -0.759 51.341 52.037 0.106 0.000 0.727 244 A CB 1.656 20.619 19.000 -0.062 0.000 1.284 244 A HN 1.105 nan 8.150 nan 0.000 0.415 245 L N 1.969 123.275 121.223 0.138 0.000 2.401 245 L HA 0.643 4.983 4.340 -0.000 0.000 0.263 245 L C 0.021 177.017 176.870 0.210 0.000 1.004 245 L CA -0.159 54.805 54.840 0.207 0.000 0.881 245 L CB 1.096 43.279 42.059 0.207 0.000 1.219 245 L HN 0.659 nan 8.230 nan 0.000 0.441 246 S N -0.146 115.482 115.700 -0.119 0.000 2.705 246 S HA 0.563 5.033 4.470 -0.000 0.000 0.280 246 S C 0.617 174.771 174.600 -0.744 0.000 1.174 246 S CA 0.282 58.248 58.200 -0.391 0.000 0.823 246 S CB 1.906 64.934 63.200 -0.288 0.000 1.162 246 S HN 0.649 nan 8.310 nan 0.000 0.487 247 T N -0.914 113.221 114.554 -0.698 0.000 2.990 247 T HA 0.286 4.636 4.350 -0.000 0.000 0.249 247 T C 0.402 174.895 174.700 -0.346 0.000 1.039 247 T CA -0.022 61.713 62.100 -0.609 0.000 1.036 247 T CB -0.333 68.191 68.868 -0.574 0.000 0.994 247 T HN 0.405 nan 8.240 nan 0.000 0.489 248 N N 2.236 120.774 118.700 -0.269 0.000 2.521 248 N HA 0.150 4.890 4.740 -0.000 0.000 0.236 248 N C 0.677 176.054 175.510 -0.222 0.000 1.067 248 N CA 0.099 53.041 53.050 -0.180 0.000 0.939 248 N CB 1.314 39.751 38.487 -0.083 0.000 1.201 248 N HN 0.260 nan 8.380 nan 0.000 0.511 249 T N 1.524 115.962 114.554 -0.193 0.000 2.652 249 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 249 T C 1.713 176.326 174.700 -0.145 0.000 1.039 249 T CA 1.889 63.879 62.100 -0.184 0.000 1.153 249 T CB -0.376 68.416 68.868 -0.128 0.000 0.863 249 T HN 0.475 nan 8.240 nan 0.000 0.428 250 T N 2.494 116.993 114.554 -0.091 0.000 2.624 250 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 250 T C 2.037 176.715 174.700 -0.036 0.000 1.041 250 T CA 1.236 63.306 62.100 -0.051 0.000 1.159 250 T CB -0.253 68.599 68.868 -0.026 0.000 0.863 250 T HN 0.255 nan 8.240 nan 0.000 0.434 251 K N 0.838 121.221 120.400 -0.029 0.000 2.057 251 K HA 0.046 4.366 4.320 -0.000 0.000 0.207 251 K C 2.446 179.042 176.600 -0.008 0.000 1.049 251 K CA 0.598 56.927 56.287 0.069 0.000 0.931 251 K CB -1.207 31.398 32.500 0.174 0.000 0.714 251 K HN 0.267 nan 8.250 nan 0.000 0.440 252 V N 1.907 121.590 119.914 -0.385 0.000 2.282 252 V HA -0.308 3.812 4.120 -0.000 0.000 0.249 252 V C 2.260 178.265 176.094 -0.149 0.000 1.057 252 V CA 2.000 63.918 62.300 -0.636 0.000 1.032 252 V CB -0.385 31.088 31.823 -0.584 0.000 0.645 252 V HN 0.369 nan 8.190 nan 0.000 0.447 253 K N -0.368 119.979 120.400 -0.089 0.000 2.057 253 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 253 K C 2.093 178.714 176.600 0.034 0.000 1.050 253 K CA 1.540 57.816 56.287 -0.019 0.000 0.935 253 K CB -0.217 32.263 32.500 -0.034 0.000 0.715 253 K HN 0.402 nan 8.250 nan 0.000 0.439 254 E N -0.059 120.176 120.200 0.058 0.000 2.333 254 E HA -0.144 4.205 4.350 -0.000 0.000 0.198 254 E C 1.145 177.822 176.600 0.128 0.000 1.007 254 E CA 0.654 57.099 56.400 0.075 0.000 0.845 254 E CB -0.041 29.710 29.700 0.085 0.000 0.766 254 E HN 0.253 nan 8.360 nan 0.000 0.507 255 F N -0.856 119.134 119.950 0.067 0.000 2.789 255 F HA 0.212 4.739 4.527 -0.000 0.000 0.300 255 F C 1.395 177.205 175.800 0.017 0.000 1.132 255 F CA 0.994 59.051 58.000 0.095 0.000 1.404 255 F CB 0.583 39.761 39.000 0.298 0.000 1.114 255 F HN 0.035 nan 8.300 nan 0.000 0.584 256 G N 1.388 110.206 108.800 0.030 0.000 2.176 256 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.232 256 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.232 256 G C 0.303 175.231 174.900 0.046 0.000 0.986 256 G CA 0.070 45.138 45.100 -0.054 0.000 0.643 256 G HN 0.316 nan 8.290 nan 0.000 0.522 257 I N 1.421 122.092 120.570 0.168 0.000 2.519 257 I HA 0.216 4.386 4.170 -0.000 0.000 0.287 257 I C 0.454 176.610 176.117 0.064 0.000 1.047 257 I CA -0.614 60.776 61.300 0.150 0.000 1.381 257 I CB 0.969 39.087 38.000 0.195 0.000 1.417 257 I HN 0.099 nan 8.210 nan 0.000 0.540 258 D N 8.326 128.769 120.400 0.071 0.000 2.450 258 D HA 0.043 4.683 4.640 -0.000 0.000 0.247 258 D C -1.709 174.587 176.300 -0.008 0.000 1.162 258 D CA -1.720 52.302 54.000 0.037 0.000 0.879 258 D CB 1.396 42.236 40.800 0.068 0.000 1.163 258 D HN 0.190 nan 8.370 nan 0.000 0.472 259 P HA -0.178 nan 4.420 nan 0.000 0.218 259 P C 1.031 178.272 177.300 -0.099 0.000 1.146 259 P CA 1.113 64.168 63.100 -0.075 0.000 0.813 259 P CB 0.187 31.850 31.700 -0.061 0.000 0.778 260 Q N -0.483 119.276 119.800 -0.067 0.000 2.364 260 Q HA -0.084 4.256 4.340 -0.000 0.000 0.207 260 Q C 1.037 176.945 176.000 -0.153 0.000 0.970 260 Q CA 1.267 57.017 55.803 -0.087 0.000 0.888 260 Q CB -0.812 27.916 28.738 -0.017 0.000 0.951 260 Q HN 0.105 nan 8.270 nan 0.000 0.469 261 N N -0.369 118.263 118.700 -0.113 0.000 2.235 261 N HA 0.120 4.860 4.740 -0.000 0.000 0.209 261 N C -0.695 174.678 175.510 -0.228 0.000 1.122 261 N CA 0.072 53.029 53.050 -0.155 0.000 0.845 261 N CB 0.267 38.782 38.487 0.047 0.000 1.004 261 N HN 0.378 nan 8.380 nan 0.000 0.499 262 M N 0.529 119.957 119.600 -0.287 0.000 2.180 262 M HA 0.378 4.858 4.480 -0.000 0.000 0.350 262 M C -1.418 174.663 176.300 -0.366 0.000 1.125 262 M CA -0.494 54.667 55.300 -0.231 0.000 1.031 262 M CB 0.549 33.027 32.600 -0.203 0.000 1.623 262 M HN -0.212 nan 8.290 nan 0.000 0.451 263 F N 4.172 124.027 119.950 -0.157 0.000 2.361 263 F HA 0.349 4.876 4.527 -0.000 0.000 0.364 263 F C 0.120 175.845 175.800 -0.124 0.000 1.117 263 F CA -0.589 57.337 58.000 -0.124 0.000 1.071 263 F CB 1.000 39.928 39.000 -0.121 0.000 1.188 263 F HN 0.559 nan 8.300 nan 0.000 0.464 264 E N 3.509 123.667 120.200 -0.070 0.000 2.250 264 E HA 0.718 5.068 4.350 -0.000 0.000 0.269 264 E C -1.023 175.228 176.600 -0.582 0.000 1.018 264 E CA -0.716 55.497 56.400 -0.310 0.000 0.873 264 E CB 1.849 31.310 29.700 -0.397 0.000 1.134 264 E HN 0.465 nan 8.360 nan 0.000 0.403 265 F N -1.869 117.485 119.950 -0.993 0.000 2.691 265 F HA 0.693 5.220 4.527 -0.000 0.000 0.334 265 F C -0.926 173.953 175.800 -1.534 0.000 1.107 265 F CA -1.364 55.699 58.000 -1.562 0.000 0.991 265 F CB 1.162 39.756 39.000 -0.678 0.000 1.400 265 F HN 0.365 nan 8.300 nan 0.000 0.503 266 W N 1.369 122.490 121.300 -0.299 0.000 2.706 266 W HA 0.196 4.856 4.660 -0.000 0.000 0.346 266 W C 0.340 176.537 176.519 -0.536 0.000 1.071 266 W CA -0.414 56.528 57.345 -0.672 0.000 1.206 266 W CB 1.307 29.962 29.460 -1.340 0.000 1.413 266 W HN 0.767 nan 8.180 nan 0.000 0.542 267 D N 0.177 120.459 120.400 -0.198 0.000 2.265 267 D HA -0.219 4.420 4.640 -0.000 0.000 0.208 267 D C 1.452 177.793 176.300 0.068 0.000 0.977 267 D CA 1.262 55.235 54.000 -0.044 0.000 0.871 267 D CB -0.512 40.297 40.800 0.016 0.000 0.925 267 D HN 0.627 nan 8.370 nan 0.000 0.485 268 W N 0.802 122.235 121.300 0.223 0.000 3.180 268 W HA 0.329 4.989 4.660 -0.000 0.000 0.254 268 W C -0.474 176.155 176.519 0.184 0.000 1.318 268 W CA -0.648 56.783 57.345 0.143 0.000 1.608 268 W CB -0.350 29.147 29.460 0.062 0.000 1.124 268 W HN -0.276 nan 8.180 nan 0.000 0.694 269 V N 2.755 122.829 119.914 0.267 0.000 2.318 269 V HA 0.440 4.560 4.120 -0.000 0.000 0.271 269 V C 0.954 177.229 176.094 0.302 0.000 1.030 269 V CA -0.552 61.954 62.300 0.343 0.000 0.844 269 V CB 0.405 32.397 31.823 0.282 0.000 1.015 269 V HN 0.134 nan 8.190 nan 0.000 0.460 270 G N 3.332 112.338 108.800 0.343 0.000 2.442 270 G HA2 0.400 4.360 3.960 -0.000 0.000 0.249 270 G HA3 0.400 4.360 3.960 -0.000 0.000 0.249 270 G C 1.137 176.183 174.900 0.242 0.000 1.263 270 G CA 0.207 45.498 45.100 0.318 0.000 0.846 270 G HN 0.897 nan 8.290 nan 0.000 0.555 271 G N 2.167 111.053 108.800 0.142 0.000 2.574 271 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.220 271 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.220 271 G C 1.628 176.501 174.900 -0.046 0.000 1.173 271 G CA 1.009 46.135 45.100 0.043 0.000 0.772 271 G HN 0.812 nan 8.290 nan 0.000 0.585 272 R N -0.867 119.564 120.500 -0.115 0.000 2.328 272 R HA 0.190 4.530 4.340 -0.000 0.000 0.206 272 R C 0.128 176.081 176.300 -0.578 0.000 0.990 272 R CA 0.383 56.250 56.100 -0.388 0.000 1.085 272 R CB -0.287 29.709 30.300 -0.505 0.000 0.998 272 R HN 0.474 nan 8.270 nan 0.000 0.484 273 Y N 0.160 120.443 120.300 -0.027 0.000 2.721 273 Y HA 0.173 4.723 4.550 -0.000 0.000 0.251 273 Y C 1.049 177.036 175.900 0.145 0.000 1.136 273 Y CA -0.434 57.684 58.100 0.030 0.000 1.142 273 Y CB 1.286 39.644 38.460 -0.170 0.000 1.212 273 Y HN 0.220 nan 8.280 nan 0.000 0.565 274 S N -0.732 115.023 115.700 0.091 0.000 2.539 274 S HA 0.005 4.475 4.470 -0.000 0.000 0.221 274 S C 1.581 176.118 174.600 -0.106 0.000 0.987 274 S CA -0.045 58.155 58.200 0.001 0.000 0.929 274 S CB -0.510 62.568 63.200 -0.204 0.000 0.832 274 S HN 0.446 nan 8.310 nan 0.000 0.492 275 L N -1.276 119.798 121.223 -0.248 0.000 2.187 275 L HA 0.248 4.588 4.340 -0.000 0.000 0.213 275 L C 1.816 178.537 176.870 -0.249 0.000 1.100 275 L CA 1.081 55.699 54.840 -0.371 0.000 0.765 275 L CB -1.558 40.108 42.059 -0.655 0.000 0.904 275 L HN 0.392 nan 8.230 nan 0.000 0.437 276 W N 0.899 122.247 121.300 0.080 0.000 2.699 276 W HA 0.205 4.865 4.660 -0.000 0.000 0.249 276 W C 1.800 178.452 176.519 0.222 0.000 1.280 276 W CA 0.374 57.783 57.345 0.106 0.000 1.345 276 W CB -0.850 28.649 29.460 0.065 0.000 1.128 276 W HN 0.389 nan 8.180 nan 0.000 0.642 277 S N 0.245 116.108 115.700 0.271 0.000 2.561 277 S HA 0.670 5.140 4.470 -0.000 0.000 0.282 277 S C 1.652 176.299 174.600 0.077 0.000 1.123 277 S CA -0.100 58.213 58.200 0.187 0.000 1.011 277 S CB 0.474 63.644 63.200 -0.050 0.000 1.244 277 S HN 0.017 nan 8.310 nan 0.000 0.503 278 A N 0.299 123.113 122.820 -0.010 0.000 2.032 278 A HA -0.030 4.290 4.320 -0.000 0.000 0.221 278 A C 2.040 179.522 177.584 -0.170 0.000 1.165 278 A CA 1.327 53.340 52.037 -0.039 0.000 0.645 278 A CB -1.196 17.857 19.000 0.088 0.000 0.807 278 A HN 0.727 nan 8.150 nan 0.000 0.453 279 I N -0.201 120.199 120.570 -0.284 0.000 2.530 279 I HA -0.205 3.965 4.170 -0.000 0.000 0.257 279 I C 2.236 178.245 176.117 -0.180 0.000 1.179 279 I CA 1.525 62.669 61.300 -0.259 0.000 1.440 279 I CB -1.354 36.423 38.000 -0.372 0.000 1.087 279 I HN 0.404 nan 8.210 nan 0.000 0.440 280 G N 0.140 108.838 108.800 -0.170 0.000 3.088 280 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.212 280 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.212 280 G C 1.521 176.170 174.900 -0.417 0.000 1.173 280 G CA -0.221 44.753 45.100 -0.209 0.000 0.779 280 G HN 0.231 nan 8.290 nan 0.000 0.540 281 L N 2.153 123.150 121.223 -0.378 0.000 2.021 281 L HA -0.215 4.125 4.340 -0.000 0.000 0.215 281 L C 2.964 179.670 176.870 -0.274 0.000 1.074 281 L CA 2.698 57.300 54.840 -0.397 0.000 0.760 281 L CB -0.692 41.093 42.059 -0.456 0.000 0.889 281 L HN 0.304 nan 8.230 nan 0.000 0.433 282 S N -1.077 114.511 115.700 -0.188 0.000 2.419 282 S HA -0.195 4.275 4.470 -0.000 0.000 0.235 282 S C 1.986 176.559 174.600 -0.045 0.000 1.019 282 S CA 1.726 59.859 58.200 -0.112 0.000 0.982 282 S CB -0.882 62.288 63.200 -0.049 0.000 0.789 282 S HN 0.568 nan 8.310 nan 0.000 0.490 283 I N 1.902 122.432 120.570 -0.067 0.000 2.277 283 I HA -0.016 4.154 4.170 -0.000 0.000 0.243 283 I C 2.958 179.080 176.117 0.009 0.000 1.094 283 I CA 0.945 62.259 61.300 0.022 0.000 1.393 283 I CB -0.592 37.442 38.000 0.058 0.000 1.078 283 I HN 0.350 nan 8.210 nan 0.000 0.417 284 A N 0.691 123.408 122.820 -0.171 0.000 1.930 284 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 284 A C 2.214 179.788 177.584 -0.018 0.000 1.175 284 A CA 1.335 53.300 52.037 -0.120 0.000 0.627 284 A CB -0.710 18.100 19.000 -0.316 0.000 0.815 284 A HN 0.323 nan 8.150 nan 0.000 0.443 285 L N -0.968 120.222 121.223 -0.056 0.000 2.083 285 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 285 L C 2.216 179.099 176.870 0.022 0.000 1.083 285 L CA 2.521 57.335 54.840 -0.043 0.000 0.752 285 L CB -0.851 41.156 42.059 -0.087 0.000 0.899 285 L HN 0.673 nan 8.230 nan 0.000 0.433 286 H N -2.659 116.374 119.070 -0.063 0.000 2.547 286 H HA 0.156 4.712 4.556 -0.000 0.000 0.272 286 H C 1.540 176.861 175.328 -0.012 0.000 0.971 286 H CA 1.152 57.172 56.048 -0.046 0.000 1.245 286 H CB 0.462 30.199 29.762 -0.042 0.000 1.440 286 H HN 0.079 nan 8.280 nan 0.000 0.540 287 V N -0.403 119.504 119.914 -0.011 0.000 3.432 287 V HA 0.380 4.500 4.120 -0.000 0.000 0.298 287 V C 0.180 176.283 176.094 0.015 0.000 1.464 287 V CA 0.571 62.844 62.300 -0.045 0.000 1.046 287 V CB 0.300 32.131 31.823 0.013 0.000 0.887 287 V HN 0.786 nan 8.190 nan 0.000 0.441 288 G N -0.360 108.461 108.800 0.036 0.000 2.895 288 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.686 288 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.686 288 G C -0.096 174.891 174.900 0.146 0.000 1.108 288 G CA -0.022 45.128 45.100 0.082 0.000 0.761 288 G HN 0.161 nan 8.290 nan 0.000 0.611 289 F N 1.410 121.390 119.950 0.048 0.000 2.202 289 F HA -0.042 4.485 4.527 -0.000 0.000 0.301 289 F C 2.203 178.099 175.800 0.160 0.000 1.082 289 F CA 2.405 60.471 58.000 0.111 0.000 1.313 289 F CB 0.090 39.139 39.000 0.082 0.000 1.024 289 F HN 0.579 nan 8.300 nan 0.000 0.495 290 D N 0.072 120.616 120.400 0.240 0.000 2.104 290 D HA -0.217 4.423 4.640 -0.000 0.000 0.194 290 D C 1.841 178.160 176.300 0.031 0.000 0.994 290 D CA 1.832 55.917 54.000 0.141 0.000 0.830 290 D CB -0.501 40.376 40.800 0.128 0.000 0.959 290 D HN 0.416 nan 8.370 nan 0.000 0.452 291 N N -1.021 117.688 118.700 0.014 0.000 2.244 291 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 291 N C 1.453 176.918 175.510 -0.076 0.000 1.016 291 N CA 0.201 53.213 53.050 -0.062 0.000 0.866 291 N CB -0.092 38.332 38.487 -0.105 0.000 0.980 291 N HN 0.064 nan 8.380 nan 0.000 0.430 292 F N 2.226 122.047 119.950 -0.215 0.000 2.134 292 F HA -0.071 4.456 4.527 -0.000 0.000 0.299 292 F C 2.074 177.693 175.800 -0.302 0.000 1.097 292 F CA 1.325 59.155 58.000 -0.285 0.000 1.264 292 F CB -0.020 38.727 39.000 -0.422 0.000 1.001 292 F HN 0.023 nan 8.300 nan 0.000 0.479 293 E N -0.498 119.510 120.200 -0.319 0.000 2.204 293 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 293 E C 2.105 178.606 176.600 -0.165 0.000 0.989 293 E CA 0.953 57.191 56.400 -0.271 0.000 0.824 293 E CB -0.238 29.401 29.700 -0.102 0.000 0.756 293 E HN 0.587 nan 8.360 nan 0.000 0.477 294 Q N 0.418 120.146 119.800 -0.119 0.000 2.187 294 Q HA -0.103 4.236 4.340 -0.000 0.000 0.199 294 Q C 2.283 178.235 176.000 -0.080 0.000 0.957 294 Q CA 0.285 56.069 55.803 -0.032 0.000 0.857 294 Q CB 0.130 28.864 28.738 -0.007 0.000 0.929 294 Q HN 0.172 nan 8.270 nan 0.000 0.453 295 L N 0.747 121.861 121.223 -0.181 0.000 2.012 295 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 295 L C 2.017 178.818 176.870 -0.114 0.000 1.073 295 L CA 1.663 56.398 54.840 -0.175 0.000 0.748 295 L CB -0.412 41.483 42.059 -0.272 0.000 0.891 295 L HN 0.248 nan 8.230 nan 0.000 0.431 296 L N -1.488 119.599 121.223 -0.226 0.000 2.131 296 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 296 L C 2.458 179.256 176.870 -0.120 0.000 1.092 296 L CA 1.204 55.955 54.840 -0.149 0.000 0.759 296 L CB -0.675 41.241 42.059 -0.238 0.000 0.903 296 L HN 0.230 nan 8.230 nan 0.000 0.435 297 S N -0.023 115.616 115.700 -0.102 0.000 2.387 297 S HA -0.066 4.404 4.470 -0.000 0.000 0.226 297 S C 2.037 176.505 174.600 -0.220 0.000 1.026 297 S CA 1.074 59.266 58.200 -0.013 0.000 0.972 297 S CB -0.304 62.974 63.200 0.130 0.000 0.814 297 S HN 0.595 nan 8.310 nan 0.000 0.477 298 G N 1.144 109.573 108.800 -0.618 0.000 2.408 298 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.217 298 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.217 298 G C 1.462 176.071 174.900 -0.484 0.000 1.150 298 G CA 0.841 45.185 45.100 -1.260 0.000 0.776 298 G HN 0.558 nan 8.290 nan 0.000 0.542 299 A N -0.101 122.557 122.820 -0.270 0.000 2.014 299 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 299 A C 2.034 179.561 177.584 -0.095 0.000 1.163 299 A CA 1.747 53.639 52.037 -0.243 0.000 0.652 299 A CB -0.553 18.039 19.000 -0.680 0.000 0.808 299 A HN 0.453 nan 8.150 nan 0.000 0.449 300 H N -2.046 116.937 119.070 -0.145 0.000 2.389 300 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 300 H C 1.677 177.047 175.328 0.069 0.000 1.081 300 H CA 1.931 57.960 56.048 -0.030 0.000 1.345 300 H CB -0.366 29.389 29.762 -0.011 0.000 1.393 300 H HN 0.689 nan 8.280 nan 0.000 0.520 301 W N -0.039 121.194 121.300 -0.111 0.000 2.358 301 W HA -0.225 4.435 4.660 -0.001 0.000 0.303 301 W C 2.283 178.780 176.519 -0.036 0.000 1.208 301 W CA 1.794 59.100 57.345 -0.065 0.000 1.274 301 W CB -0.186 29.282 29.460 0.013 0.000 1.138 301 W HN 0.268 nan 8.180 nan 0.000 0.515 302 M N 0.574 120.374 119.600 0.333 0.000 2.254 302 M HA -0.107 4.373 4.480 -0.000 0.000 0.265 302 M C 1.355 177.771 176.300 0.193 0.000 1.066 302 M CA 1.901 57.389 55.300 0.313 0.000 1.123 302 M CB -0.707 32.072 32.600 0.297 0.000 1.388 302 M HN -0.190 nan 8.290 nan 0.000 0.425 303 D N -0.006 120.479 120.400 0.142 0.000 2.097 303 D HA -0.189 4.450 4.640 -0.000 0.000 0.195 303 D C 1.974 178.255 176.300 -0.032 0.000 0.989 303 D CA 1.418 55.542 54.000 0.207 0.000 0.827 303 D CB -0.355 40.578 40.800 0.222 0.000 0.966 303 D HN 0.514 nan 8.370 nan 0.000 0.456 304 Q N -0.738 118.915 119.800 -0.243 0.000 2.135 304 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 304 Q C 2.027 177.809 176.000 -0.363 0.000 0.981 304 Q CA 1.579 57.155 55.803 -0.378 0.000 0.856 304 Q CB -0.189 28.265 28.738 -0.474 0.000 0.902 304 Q HN 0.532 nan 8.270 nan 0.000 0.425 305 H N -0.624 118.175 119.070 -0.453 0.000 2.395 305 H HA -0.137 4.418 4.556 -0.000 0.000 0.299 305 H C 1.686 176.914 175.328 -0.166 0.000 1.070 305 H CA 1.350 57.164 56.048 -0.390 0.000 1.356 305 H CB -0.141 29.364 29.762 -0.429 0.000 1.401 305 H HN 0.247 nan 8.280 nan 0.000 0.524 306 F N 1.499 121.301 119.950 -0.248 0.000 2.102 306 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 306 F C 2.581 178.142 175.800 -0.398 0.000 1.105 306 F CA 1.679 59.502 58.000 -0.295 0.000 1.239 306 F CB -0.534 38.270 39.000 -0.326 0.000 0.991 306 F HN 0.093 nan 8.300 nan 0.000 0.474 307 R N -0.570 119.569 120.500 -0.602 0.000 2.148 307 R HA -0.079 4.261 4.340 -0.000 0.000 0.223 307 R C 1.567 177.516 176.300 -0.584 0.000 1.088 307 R CA 1.742 57.353 56.100 -0.816 0.000 0.985 307 R CB -0.271 29.402 30.300 -1.045 0.000 0.880 307 R HN 0.481 nan 8.270 nan 0.000 0.451 308 T N -3.714 110.557 114.554 -0.472 0.000 3.040 308 T HA 0.181 4.531 4.350 -0.000 0.000 0.266 308 T C 0.220 174.726 174.700 -0.323 0.000 1.005 308 T CA -0.391 61.489 62.100 -0.367 0.000 0.906 308 T CB 0.694 69.373 68.868 -0.315 0.000 1.082 308 T HN -0.133 nan 8.240 nan 0.000 0.531 309 T N 5.270 119.591 114.554 -0.389 0.000 2.837 309 T HA 0.490 4.840 4.350 -0.000 0.000 0.285 309 T C -2.682 171.854 174.700 -0.273 0.000 0.984 309 T CA -1.238 60.660 62.100 -0.337 0.000 1.049 309 T CB 1.393 69.942 68.868 -0.530 0.000 0.947 309 T HN 0.162 nan 8.240 nan 0.000 0.472 310 P HA 0.068 nan 4.420 nan 0.000 0.265 310 P C 1.156 178.373 177.300 -0.138 0.000 1.187 310 P CA -0.112 62.894 63.100 -0.157 0.000 0.766 310 P CB 0.689 32.317 31.700 -0.120 0.000 0.820 311 L N 2.060 123.208 121.223 -0.126 0.000 2.089 311 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 311 L C 2.015 178.833 176.870 -0.088 0.000 1.079 311 L CA 1.976 56.757 54.840 -0.099 0.000 0.758 311 L CB -1.121 40.881 42.059 -0.095 0.000 0.891 311 L HN 0.375 nan 8.230 nan 0.000 0.433 312 E N 0.799 120.945 120.200 -0.090 0.000 2.333 312 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 312 E C 0.900 177.466 176.600 -0.056 0.000 1.007 312 E CA 0.877 57.227 56.400 -0.084 0.000 0.845 312 E CB -0.061 29.586 29.700 -0.088 0.000 0.766 312 E HN 0.598 nan 8.360 nan 0.000 0.507 313 K N -0.055 120.320 120.400 -0.043 0.000 3.123 313 K HA 0.229 4.549 4.320 -0.000 0.000 0.209 313 K C -0.399 176.230 176.600 0.049 0.000 1.132 313 K CA -0.440 55.853 56.287 0.011 0.000 0.992 313 K CB 0.308 32.816 32.500 0.015 0.000 0.773 313 K HN -0.169 nan 8.250 nan 0.000 0.458 314 N N 1.425 120.140 118.700 0.025 0.000 2.518 314 N HA 0.233 4.972 4.740 -0.000 0.000 0.254 314 N C 0.622 176.256 175.510 0.207 0.000 0.979 314 N CA 0.063 53.148 53.050 0.057 0.000 0.930 314 N CB 1.797 40.252 38.487 -0.054 0.000 1.152 314 N HN 0.302 nan 8.380 nan 0.000 0.505 315 A N 6.216 129.314 122.820 0.464 0.000 1.869 315 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 315 A C -0.670 176.962 177.584 0.078 0.000 1.203 315 A CA 1.631 53.787 52.037 0.199 0.000 0.638 315 A CB -1.435 17.641 19.000 0.126 0.000 0.831 315 A HN 0.580 nan 8.150 nan 0.000 0.450 316 P HA -0.108 nan 4.420 nan 0.000 0.216 316 P C 1.633 178.932 177.300 -0.002 0.000 1.150 316 P CA 1.406 64.497 63.100 -0.015 0.000 0.843 316 P CB -0.147 31.485 31.700 -0.113 0.000 0.787 317 V N -0.506 119.450 119.914 0.071 0.000 2.270 317 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 317 V C 2.499 178.564 176.094 -0.048 0.000 1.043 317 V CA 1.605 63.930 62.300 0.041 0.000 1.014 317 V CB -1.276 30.579 31.823 0.055 0.000 0.645 317 V HN 0.044 nan 8.190 nan 0.000 0.447 318 L N -0.866 120.305 121.223 -0.086 0.000 2.013 318 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 318 L C 2.503 179.281 176.870 -0.153 0.000 1.073 318 L CA 1.316 56.038 54.840 -0.197 0.000 0.753 318 L CB -0.703 41.149 42.059 -0.345 0.000 0.890 318 L HN 0.302 nan 8.230 nan 0.000 0.432 319 L N -0.082 121.078 121.223 -0.105 0.000 2.042 319 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 319 L C 2.742 179.596 176.870 -0.027 0.000 1.076 319 L CA 2.091 56.898 54.840 -0.055 0.000 0.749 319 L CB -1.237 40.759 42.059 -0.105 0.000 0.893 319 L HN 0.199 nan 8.230 nan 0.000 0.432 320 A N -1.177 121.609 122.820 -0.055 0.000 1.898 320 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 320 A C 2.310 179.858 177.584 -0.060 0.000 1.181 320 A CA 1.420 53.414 52.037 -0.071 0.000 0.620 320 A CB -0.616 18.324 19.000 -0.101 0.000 0.819 320 A HN 0.392 nan 8.150 nan 0.000 0.442 321 L N -1.005 120.183 121.223 -0.058 0.000 2.093 321 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 321 L C 2.292 179.180 176.870 0.030 0.000 1.085 321 L CA 0.499 55.313 54.840 -0.043 0.000 0.755 321 L CB -0.413 41.587 42.059 -0.098 0.000 0.904 321 L HN 0.271 nan 8.230 nan 0.000 0.435 322 L N -0.017 121.234 121.223 0.045 0.000 2.201 322 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 322 L C 2.491 179.526 176.870 0.276 0.000 1.105 322 L CA 1.744 56.669 54.840 0.142 0.000 0.775 322 L CB -1.616 40.565 42.059 0.204 0.000 0.913 322 L HN 0.173 nan 8.230 nan 0.000 0.440 323 G N -1.087 107.870 108.800 0.261 0.000 2.394 323 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 323 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 323 G C 1.761 176.874 174.900 0.355 0.000 1.165 323 G CA 0.423 45.724 45.100 0.335 0.000 0.784 323 G HN 0.339 nan 8.290 nan 0.000 0.535 324 I N -0.619 120.105 120.570 0.256 0.000 2.286 324 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 324 I C 2.453 178.867 176.117 0.495 0.000 1.115 324 I CA 0.776 62.276 61.300 0.334 0.000 1.392 324 I CB -0.085 37.999 38.000 0.141 0.000 1.065 324 I HN 0.429 nan 8.210 nan 0.000 0.418 325 W N 0.669 122.073 121.300 0.173 0.000 2.332 325 W HA -0.332 4.328 4.660 0.000 0.000 0.321 325 W C 2.371 179.037 176.519 0.246 0.000 1.219 325 W CA 1.464 58.893 57.345 0.140 0.000 1.277 325 W CB -0.383 28.967 29.460 -0.184 0.000 1.161 325 W HN 0.103 nan 8.180 nan 0.000 0.476 326 Y N 0.385 120.945 120.300 0.432 0.000 2.293 326 Y HA -0.185 4.365 4.550 -0.000 0.000 0.291 326 Y C 2.407 178.468 175.900 0.269 0.000 1.137 326 Y CA 1.542 59.825 58.100 0.305 0.000 1.202 326 Y CB -0.992 37.609 38.460 0.235 0.000 0.990 326 Y HN -0.048 nan 8.280 nan 0.000 0.537 327 I N -0.277 120.545 120.570 0.420 0.000 2.235 327 I HA -0.244 3.925 4.170 -0.000 0.000 0.241 327 I C 1.654 177.887 176.117 0.193 0.000 1.085 327 I CA 1.158 62.651 61.300 0.321 0.000 1.378 327 I CB -0.232 38.019 38.000 0.418 0.000 1.076 327 I HN 0.210 nan 8.210 nan 0.000 0.415 328 N N -0.223 118.576 118.700 0.164 0.000 2.422 328 N HA 0.044 4.784 4.740 -0.000 0.000 0.181 328 N C 1.283 176.446 175.510 -0.579 0.000 1.080 328 N CA 0.994 53.969 53.050 -0.126 0.000 0.893 328 N CB 0.465 38.911 38.487 -0.069 0.000 0.973 328 N HN 0.287 nan 8.380 nan 0.000 0.456 329 F N -1.123 118.703 119.950 -0.208 0.000 2.537 329 F HA 0.254 4.781 4.527 -0.000 0.000 0.275 329 F C 1.512 176.823 175.800 -0.814 0.000 0.947 329 F CA -0.200 57.348 58.000 -0.754 0.000 1.238 329 F CB -0.323 37.949 39.000 -1.213 0.000 1.071 329 F HN -0.193 nan 8.300 nan 0.000 0.749 330 F N 0.486 120.269 119.950 -0.278 0.000 2.456 330 F HA 0.248 4.775 4.527 -0.000 0.000 0.298 330 F C 2.011 177.845 175.800 0.057 0.000 1.104 330 F CA 1.208 59.187 58.000 -0.036 0.000 1.435 330 F CB -0.443 38.602 39.000 0.076 0.000 1.078 330 F HN 0.158 nan 8.300 nan 0.000 0.546 331 G N -0.705 108.224 108.800 0.216 0.000 2.157 331 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.239 331 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.239 331 G C 0.059 175.056 174.900 0.162 0.000 0.982 331 G CA -0.205 44.990 45.100 0.157 0.000 0.650 331 G HN 0.280 nan 8.290 nan 0.000 0.527 332 C N 1.285 120.710 119.300 0.209 0.000 2.648 332 C HA 0.359 4.818 4.460 -0.000 0.000 0.415 332 C C 1.790 176.873 174.990 0.155 0.000 1.366 332 C CA -0.040 59.080 59.018 0.169 0.000 1.756 332 C CB 0.273 28.117 27.740 0.174 0.000 2.549 332 C HN 0.556 nan 8.230 nan 0.000 0.597 333 E N 0.648 120.916 120.200 0.114 0.000 2.274 333 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 333 E C 1.336 178.016 176.600 0.134 0.000 0.996 333 E CA 1.196 57.651 56.400 0.093 0.000 0.840 333 E CB 0.308 30.035 29.700 0.045 0.000 0.772 333 E HN 0.953 nan 8.360 nan 0.000 0.491 334 T N -2.591 112.075 114.554 0.187 0.000 2.676 334 T HA 0.442 4.792 4.350 -0.000 0.000 0.269 334 T C -0.944 173.966 174.700 0.351 0.000 0.952 334 T CA -0.862 61.411 62.100 0.288 0.000 1.040 334 T CB 1.991 71.084 68.868 0.374 0.000 1.352 334 T HN 0.117 nan 8.240 nan 0.000 0.554 335 H N -0.834 118.375 119.070 0.232 0.000 3.163 335 H HA 0.588 5.143 4.556 -0.000 0.000 0.322 335 H C -1.215 174.020 175.328 -0.155 0.000 1.047 335 H CA -0.112 55.980 56.048 0.073 0.000 1.418 335 H CB 0.886 30.714 29.762 0.109 0.000 2.016 335 H HN 1.047 nan 8.280 nan 0.000 0.454 336 A N 5.301 127.683 122.820 -0.730 0.000 2.306 336 A HA 0.642 4.962 4.320 -0.000 0.000 0.314 336 A C -0.491 176.689 177.584 -0.673 0.000 1.164 336 A CA -0.698 50.724 52.037 -1.025 0.000 0.822 336 A CB 0.620 18.841 19.000 -1.297 0.000 1.130 336 A HN 0.724 nan 8.150 nan 0.000 0.496 337 M N 2.571 121.905 119.600 -0.443 0.000 2.125 337 M HA 0.398 4.878 4.480 -0.000 0.000 0.321 337 M C -1.203 175.023 176.300 -0.123 0.000 0.983 337 M CA 0.168 55.368 55.300 -0.167 0.000 0.934 337 M CB 1.224 33.816 32.600 -0.013 0.000 1.542 337 M HN 0.543 nan 8.290 nan 0.000 0.424 338 L N 6.098 127.255 121.223 -0.109 0.000 2.457 338 L HA 0.435 4.775 4.340 -0.000 0.000 0.252 338 L C -2.290 174.636 176.870 0.093 0.000 1.132 338 L CA -1.755 53.027 54.840 -0.096 0.000 0.938 338 L CB 0.529 42.362 42.059 -0.375 0.000 1.246 338 L HN 0.348 nan 8.230 nan 0.000 0.476 339 P HA -0.016 nan 4.420 nan 0.000 0.271 339 P C -0.775 176.697 177.300 0.288 0.000 1.226 339 P CA -0.038 63.214 63.100 0.253 0.000 0.765 339 P CB 0.631 32.438 31.700 0.179 0.000 0.835 340 Y N 2.384 122.762 120.300 0.131 0.000 2.903 340 Y HA 0.229 4.779 4.550 -0.000 0.000 0.387 340 Y C 0.700 176.648 175.900 0.081 0.000 1.189 340 Y CA 0.051 58.220 58.100 0.115 0.000 1.856 340 Y CB -0.254 38.316 38.460 0.183 0.000 1.917 340 Y HN 0.339 nan 8.280 nan 0.000 0.448 341 D N 0.196 120.688 120.400 0.152 0.000 2.891 341 D HA 0.036 4.676 4.640 -0.000 0.000 0.224 341 D C 0.383 176.744 176.300 0.101 0.000 1.321 341 D CA -0.183 53.900 54.000 0.139 0.000 0.929 341 D CB 1.725 42.644 40.800 0.198 0.000 1.551 341 D HN 0.131 nan 8.370 nan 0.000 0.574 342 Q N 2.693 122.496 119.800 0.006 0.000 2.119 342 Q HA -0.100 4.239 4.340 -0.000 0.000 0.201 342 Q C 1.210 177.269 176.000 0.098 0.000 0.972 342 Q CA 1.636 57.416 55.803 -0.038 0.000 0.847 342 Q CB -0.225 28.392 28.738 -0.200 0.000 0.903 342 Q HN 0.687 nan 8.270 nan 0.000 0.433 343 Y N -0.655 119.735 120.300 0.150 0.000 2.274 343 Y HA -0.124 4.426 4.550 -0.000 0.000 0.290 343 Y C 1.125 177.146 175.900 0.202 0.000 1.145 343 Y CA 0.313 58.525 58.100 0.187 0.000 1.203 343 Y CB 0.203 38.748 38.460 0.141 0.000 0.984 343 Y HN 0.038 nan 8.280 nan 0.000 0.533 344 L N 0.761 122.171 121.223 0.311 0.000 2.737 344 L HA -0.002 4.338 4.340 -0.000 0.000 0.236 344 L C 1.432 178.439 176.870 0.228 0.000 1.219 344 L CA 0.006 54.970 54.840 0.206 0.000 1.021 344 L CB -0.624 41.494 42.059 0.098 0.000 1.291 344 L HN 0.457 nan 8.230 nan 0.000 0.470 345 H N -2.125 117.029 119.070 0.140 0.000 2.545 345 H HA 0.017 4.573 4.556 -0.000 0.000 0.282 345 H C 1.756 177.156 175.328 0.120 0.000 1.020 345 H CA 0.455 56.572 56.048 0.115 0.000 1.243 345 H CB 0.075 29.881 29.762 0.074 0.000 1.377 345 H HN 0.097 nan 8.280 nan 0.000 0.581 346 R N -0.384 119.961 120.500 -0.259 0.000 2.468 346 R HA 0.059 4.399 4.340 -0.000 0.000 0.280 346 R C 0.626 176.931 176.300 0.009 0.000 0.963 346 R CA -0.168 55.828 56.100 -0.172 0.000 1.083 346 R CB -0.296 29.817 30.300 -0.313 0.000 1.200 346 R HN 0.331 nan 8.270 nan 0.000 0.541 347 F N 2.079 122.007 119.950 -0.037 0.000 2.075 347 F HA -0.194 4.333 4.527 -0.000 0.000 0.297 347 F C 2.252 178.124 175.800 0.120 0.000 1.113 347 F CA 1.708 59.730 58.000 0.038 0.000 1.218 347 F CB -0.233 38.817 39.000 0.083 0.000 0.984 347 F HN 0.061 nan 8.300 nan 0.000 0.472 348 A N 0.430 123.343 122.820 0.155 0.000 1.883 348 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 348 A C 2.436 180.019 177.584 -0.002 0.000 1.186 348 A CA 2.232 54.301 52.037 0.054 0.000 0.624 348 A CB -1.689 17.362 19.000 0.085 0.000 0.822 348 A HN 0.528 nan 8.150 nan 0.000 0.444 349 A N -1.664 121.159 122.820 0.005 0.000 1.948 349 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 349 A C 2.142 179.663 177.584 -0.106 0.000 1.177 349 A CA 1.817 53.837 52.037 -0.029 0.000 0.636 349 A CB -0.863 18.122 19.000 -0.025 0.000 0.815 349 A HN 0.811 nan 8.150 nan 0.000 0.449 350 Y N -1.103 119.014 120.300 -0.304 0.000 2.181 350 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 350 Y C 1.785 177.317 175.900 -0.614 0.000 1.146 350 Y CA 1.953 59.753 58.100 -0.499 0.000 1.164 350 Y CB -0.261 37.785 38.460 -0.691 0.000 0.982 350 Y HN 0.279 nan 8.280 nan 0.000 0.515 351 F N 0.315 120.063 119.950 -0.337 0.000 2.748 351 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 351 F C 2.298 177.932 175.800 -0.276 0.000 1.154 351 F CA 0.802 58.572 58.000 -0.383 0.000 1.446 351 F CB -0.217 38.546 39.000 -0.394 0.000 1.112 351 F HN 0.134 nan 8.300 nan 0.000 0.584 352 Q N -0.052 119.679 119.800 -0.115 0.000 2.084 352 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 352 Q C 2.280 178.200 176.000 -0.134 0.000 0.978 352 Q CA 1.659 57.423 55.803 -0.064 0.000 0.844 352 Q CB -0.174 28.537 28.738 -0.045 0.000 0.898 352 Q HN 0.515 nan 8.270 nan 0.000 0.426 353 Q N -0.408 119.232 119.800 -0.267 0.000 2.049 353 Q HA -0.121 4.219 4.340 -0.000 0.000 0.198 353 Q C 2.006 177.796 176.000 -0.351 0.000 0.971 353 Q CA 1.307 56.930 55.803 -0.299 0.000 0.833 353 Q CB -0.270 28.247 28.738 -0.369 0.000 0.896 353 Q HN 0.395 nan 8.270 nan 0.000 0.434 354 G N 1.359 109.831 108.800 -0.547 0.000 2.599 354 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.219 354 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.219 354 G C 1.233 176.058 174.900 -0.125 0.000 1.193 354 G CA 1.299 46.116 45.100 -0.471 0.000 0.778 354 G HN 0.476 nan 8.290 nan 0.000 0.589 355 D N -0.041 120.368 120.400 0.014 0.000 2.106 355 D HA 0.017 4.657 4.640 -0.000 0.000 0.203 355 D C 2.804 179.129 176.300 0.042 0.000 0.977 355 D CA 0.758 54.805 54.000 0.079 0.000 0.844 355 D CB -0.149 40.716 40.800 0.108 0.000 1.002 355 D HN 0.306 nan 8.370 nan 0.000 0.461 356 M N 0.496 120.103 119.600 0.012 0.000 2.159 356 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 356 M C 2.179 178.471 176.300 -0.014 0.000 1.063 356 M CA 1.191 56.497 55.300 0.010 0.000 1.110 356 M CB -0.148 32.455 32.600 0.004 0.000 1.374 356 M HN 0.046 nan 8.290 nan 0.000 0.411 357 E N -0.308 119.858 120.200 -0.057 0.000 2.274 357 E HA -0.106 4.243 4.350 -0.000 0.000 0.194 357 E C 1.667 178.245 176.600 -0.037 0.000 0.996 357 E CA 1.018 57.383 56.400 -0.057 0.000 0.840 357 E CB 0.260 29.900 29.700 -0.099 0.000 0.772 357 E HN 0.370 nan 8.360 nan 0.000 0.491 358 S N 0.580 116.262 115.700 -0.030 0.000 2.348 358 S HA -0.003 4.467 4.470 -0.000 0.000 0.219 358 S C 1.364 175.968 174.600 0.008 0.000 1.033 358 S CA 0.998 59.189 58.200 -0.015 0.000 0.974 358 S CB -0.126 63.086 63.200 0.020 0.000 0.868 358 S HN 0.364 nan 8.310 nan 0.000 0.459 359 N N 0.476 119.214 118.700 0.064 0.000 2.230 359 N HA 0.162 4.902 4.740 -0.000 0.000 0.202 359 N C 0.364 175.922 175.510 0.080 0.000 1.119 359 N CA -0.234 52.893 53.050 0.128 0.000 0.851 359 N CB 0.592 39.244 38.487 0.275 0.000 0.990 359 N HN 0.249 nan 8.380 nan 0.000 0.497 360 G N 1.258 110.086 108.800 0.047 0.000 3.506 360 G HA2 0.139 4.099 3.960 -0.000 0.000 0.268 360 G HA3 0.139 4.099 3.960 -0.000 0.000 0.268 360 G C -0.006 174.932 174.900 0.063 0.000 0.959 360 G CA -0.163 44.953 45.100 0.027 0.000 1.823 360 G HN 0.000 nan 8.290 nan 0.000 0.615 361 K N 0.481 120.927 120.400 0.076 0.000 2.352 361 K HA 0.415 4.735 4.320 -0.000 0.000 0.240 361 K C -0.439 176.274 176.600 0.188 0.000 1.017 361 K CA -1.012 55.364 56.287 0.149 0.000 0.851 361 K CB 1.863 34.430 32.500 0.112 0.000 1.261 361 K HN 0.359 nan 8.250 nan 0.000 0.451 362 Y N -1.822 118.466 120.300 -0.019 0.000 2.729 362 Y HA 0.403 4.953 4.550 -0.000 0.000 0.266 362 Y C -0.297 175.581 175.900 -0.036 0.000 1.064 362 Y CA -0.719 57.338 58.100 -0.071 0.000 1.251 362 Y CB 0.494 38.902 38.460 -0.087 0.000 1.379 362 Y HN 0.177 nan 8.280 nan 0.000 0.569 363 I N 1.664 121.990 120.570 -0.407 0.000 2.437 363 I HA 0.395 4.565 4.170 -0.000 0.000 0.298 363 I C 0.637 176.737 176.117 -0.027 0.000 0.984 363 I CA -0.484 60.640 61.300 -0.293 0.000 1.214 363 I CB 1.637 39.454 38.000 -0.306 0.000 1.365 363 I HN 0.108 nan 8.210 nan 0.000 0.469 364 T N 4.000 118.556 114.554 0.004 0.000 2.824 364 T HA 0.149 4.499 4.350 -0.000 0.000 0.277 364 T C 1.268 176.049 174.700 0.135 0.000 0.975 364 T CA -0.312 61.840 62.100 0.086 0.000 0.966 364 T CB 1.055 69.946 68.868 0.039 0.000 1.054 364 T HN 0.495 nan 8.240 nan 0.000 0.533 365 K N 0.414 120.844 120.400 0.050 0.000 2.209 365 K HA 0.005 4.325 4.320 -0.000 0.000 0.204 365 K C 2.047 178.548 176.600 -0.165 0.000 1.048 365 K CA 0.923 57.052 56.287 -0.264 0.000 0.940 365 K CB -0.005 32.227 32.500 -0.446 0.000 0.729 365 K HN 0.267 nan 8.250 nan 0.000 0.451 366 S N -1.031 114.630 115.700 -0.066 0.000 2.593 366 S HA 0.125 4.595 4.470 -0.000 0.000 0.217 366 S C 1.024 175.613 174.600 -0.017 0.000 0.966 366 S CA 0.546 58.720 58.200 -0.044 0.000 0.914 366 S CB 0.636 63.818 63.200 -0.031 0.000 0.776 366 S HN 0.570 nan 8.310 nan 0.000 0.523 367 G N 1.485 110.286 108.800 0.003 0.000 2.143 367 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.249 367 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.249 367 G C 0.229 175.109 174.900 -0.034 0.000 0.981 367 G CA 0.426 45.524 45.100 -0.003 0.000 0.665 367 G HN 0.461 nan 8.290 nan 0.000 0.528 368 T N 0.800 115.336 114.554 -0.030 0.000 2.899 368 T HA 0.539 4.889 4.350 -0.000 0.000 0.284 368 T C 0.915 175.572 174.700 -0.072 0.000 1.004 368 T CA -0.384 61.693 62.100 -0.038 0.000 1.043 368 T CB 0.643 69.500 68.868 -0.018 0.000 1.013 368 T HN 0.352 nan 8.240 nan 0.000 0.518 369 R N 1.156 121.616 120.500 -0.066 0.000 2.459 369 R HA 0.424 4.764 4.340 -0.000 0.000 0.281 369 R C 0.018 176.276 176.300 -0.069 0.000 1.050 369 R CA -0.634 55.421 56.100 -0.075 0.000 1.055 369 R CB 0.804 31.111 30.300 0.012 0.000 1.045 369 R HN 0.511 nan 8.270 nan 0.000 0.495 370 V N -0.274 119.571 119.914 -0.116 0.000 2.775 370 V HA 0.123 4.243 4.120 -0.000 0.000 0.299 370 V C 0.354 176.316 176.094 -0.221 0.000 1.062 370 V CA -0.423 61.704 62.300 -0.288 0.000 1.063 370 V CB 1.246 32.704 31.823 -0.609 0.000 0.994 370 V HN 0.901 nan 8.190 nan 0.000 0.483 371 D N 1.458 121.733 120.400 -0.208 0.000 2.788 371 D HA 0.255 4.895 4.640 -0.000 0.000 0.289 371 D C -0.071 176.208 176.300 -0.035 0.000 1.340 371 D CA -0.030 53.922 54.000 -0.080 0.000 0.831 371 D CB -0.534 40.266 40.800 0.001 0.000 1.103 371 D HN 1.041 nan 8.370 nan 0.000 0.476 372 H N -3.876 115.137 119.070 -0.094 0.000 2.981 372 H HA 0.585 5.141 4.556 -0.000 0.000 0.327 372 H C -0.758 174.458 175.328 -0.186 0.000 1.342 372 H CA -1.101 54.871 56.048 -0.127 0.000 1.123 372 H CB 0.381 30.044 29.762 -0.165 0.000 1.851 372 H HN -0.270 nan 8.280 nan 0.000 0.531 373 Q N 0.724 120.492 119.800 -0.053 0.000 2.394 373 Q HA 0.348 4.688 4.340 -0.000 0.000 0.248 373 Q C 0.251 175.949 176.000 -0.504 0.000 0.992 373 Q CA 0.524 56.208 55.803 -0.198 0.000 0.888 373 Q CB 1.338 30.018 28.738 -0.098 0.000 1.257 373 Q HN 0.981 nan 8.270 nan 0.000 0.462 374 T N -2.290 111.882 114.554 -0.638 0.000 2.664 374 T HA 0.616 4.966 4.350 -0.000 0.000 0.232 374 T C 0.487 174.709 174.700 -0.797 0.000 0.958 374 T CA -0.316 61.082 62.100 -1.169 0.000 1.095 374 T CB -0.476 67.994 68.868 -0.664 0.000 1.938 374 T HN 0.586 nan 8.240 nan 0.000 0.536 375 G N 3.313 111.894 108.800 -0.365 0.000 2.224 375 G HA2 0.434 4.394 3.960 -0.000 0.000 0.239 375 G HA3 0.434 4.394 3.960 -0.000 0.000 0.239 375 G C -2.119 172.808 174.900 0.045 0.000 1.240 375 G CA -0.624 44.503 45.100 0.046 0.000 0.896 375 G HN 0.670 nan 8.290 nan 0.000 0.496 376 P HA 0.346 nan 4.420 nan 0.000 0.282 376 P C -0.202 177.179 177.300 0.136 0.000 1.287 376 P CA -0.700 62.485 63.100 0.142 0.000 0.792 376 P CB 1.338 33.166 31.700 0.214 0.000 1.163 377 I N 0.188 120.849 120.570 0.152 0.000 2.325 377 I HA 0.170 4.340 4.170 -0.000 0.000 0.291 377 I C 0.008 176.309 176.117 0.307 0.000 1.019 377 I CA -0.602 60.796 61.300 0.163 0.000 1.302 377 I CB 1.049 39.103 38.000 0.090 0.000 1.401 377 I HN -0.056 nan 8.210 nan 0.000 0.485 378 V N 7.263 127.343 119.914 0.277 0.000 2.417 378 V HA 0.501 4.621 4.120 -0.000 0.000 0.291 378 V C -0.473 175.819 176.094 0.330 0.000 1.024 378 V CA -0.399 62.077 62.300 0.293 0.000 0.861 378 V CB 1.104 33.041 31.823 0.190 0.000 0.985 378 V HN 0.781 nan 8.190 nan 0.000 0.436 379 W N 3.013 124.307 121.300 -0.009 0.000 3.018 379 W HA 0.917 5.577 4.660 0.000 0.000 0.352 379 W C -0.155 176.322 176.519 -0.070 0.000 1.230 379 W CA -0.992 56.320 57.345 -0.055 0.000 1.162 379 W CB 1.419 30.814 29.460 -0.108 0.000 1.483 379 W HN 1.003 nan 8.180 nan 0.000 0.584 380 G N 0.602 109.408 108.800 0.010 0.000 2.350 380 G HA2 0.349 4.309 3.960 -0.000 0.000 0.305 380 G HA3 0.349 4.309 3.960 -0.000 0.000 0.305 380 G C -1.954 173.022 174.900 0.125 0.000 1.479 380 G CA -0.899 44.124 45.100 -0.127 0.000 0.949 380 G HN 0.530 nan 8.290 nan 0.000 0.651 381 E N 0.101 120.439 120.200 0.230 0.000 2.393 381 E HA 0.538 4.888 4.350 -0.000 0.000 0.273 381 E C -2.580 174.119 176.600 0.166 0.000 0.918 381 E CA -1.492 55.053 56.400 0.242 0.000 0.773 381 E CB 3.129 33.030 29.700 0.335 0.000 1.275 381 E HN 0.416 nan 8.360 nan 0.000 0.451 382 P HA 0.109 nan 4.420 nan 0.000 0.272 382 P C -0.054 177.158 177.300 -0.148 0.000 1.223 382 P CA -0.123 62.987 63.100 0.016 0.000 0.784 382 P CB 0.626 32.353 31.700 0.045 0.000 0.923 383 G N -0.138 108.395 108.800 -0.445 0.000 2.477 383 G HA2 0.395 4.355 3.960 -0.000 0.000 0.304 383 G HA3 0.395 4.355 3.960 -0.000 0.000 0.304 383 G C 0.887 175.368 174.900 -0.697 0.000 1.175 383 G CA -0.360 44.186 45.100 -0.923 0.000 0.907 383 G HN 0.525 nan 8.290 nan 0.000 0.509 384 T N -1.444 112.812 114.554 -0.497 0.000 3.129 384 T HA -0.006 4.344 4.350 -0.000 0.000 0.251 384 T C 1.616 176.138 174.700 -0.297 0.000 1.117 384 T CA 0.199 62.026 62.100 -0.455 0.000 1.034 384 T CB -0.179 68.589 68.868 -0.167 0.000 0.968 384 T HN 0.316 nan 8.240 nan 0.000 0.526 385 N N 2.824 121.395 118.700 -0.214 0.000 2.021 385 N HA -0.083 4.657 4.740 -0.000 0.000 0.198 385 N C 2.253 177.610 175.510 -0.254 0.000 1.041 385 N CA 1.862 54.836 53.050 -0.126 0.000 0.862 385 N CB -1.311 37.121 38.487 -0.093 0.000 1.048 385 N HN 0.582 nan 8.380 nan 0.000 0.427 386 G N 0.858 109.444 108.800 -0.357 0.000 2.545 386 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.222 386 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.222 386 G C 1.441 175.715 174.900 -1.045 0.000 1.126 386 G CA 1.135 45.810 45.100 -0.707 0.000 0.754 386 G HN 0.446 nan 8.290 nan 0.000 0.583 387 Q N -0.933 118.150 119.800 -1.194 0.000 2.224 387 Q HA -0.057 4.283 4.340 -0.000 0.000 0.203 387 Q C 1.738 177.336 176.000 -0.669 0.000 0.970 387 Q CA 1.070 56.069 55.803 -1.341 0.000 0.865 387 Q CB -0.002 28.093 28.738 -1.073 0.000 0.922 387 Q HN 0.737 nan 8.270 nan 0.000 0.445 388 H N -1.519 117.321 119.070 -0.383 0.000 2.529 388 H HA 0.282 4.838 4.556 -0.000 0.000 0.277 388 H C 0.695 175.918 175.328 -0.175 0.000 1.004 388 H CA 0.316 56.240 56.048 -0.207 0.000 1.167 388 H CB 0.611 30.276 29.762 -0.161 0.000 1.445 388 H HN 0.251 nan 8.280 nan 0.000 0.554 389 A N 0.205 122.897 122.820 -0.212 0.000 1.949 389 A HA 0.166 4.486 4.320 -0.000 0.000 0.200 389 A C 0.733 178.290 177.584 -0.044 0.000 2.254 389 A CA -0.019 51.931 52.037 -0.145 0.000 1.206 389 A CB -0.239 18.661 19.000 -0.167 0.000 1.110 389 A HN 0.270 nan 8.150 nan 0.000 0.628 390 F N -2.277 117.832 119.950 0.266 0.000 2.654 390 F HA 0.479 5.006 4.527 -0.000 0.000 0.303 390 F C 1.103 177.132 175.800 0.382 0.000 1.099 390 F CA -1.003 57.169 58.000 0.287 0.000 1.270 390 F CB -0.520 38.667 39.000 0.312 0.000 1.024 390 F HN 0.166 nan 8.300 nan 0.000 0.548 391 Y N 1.550 121.895 120.300 0.075 0.000 2.293 391 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 391 Y C 2.697 178.799 175.900 0.336 0.000 1.137 391 Y CA 1.445 59.708 58.100 0.272 0.000 1.202 391 Y CB -0.934 37.642 38.460 0.193 0.000 0.990 391 Y HN 0.321 nan 8.280 nan 0.000 0.537 392 Q N 0.698 120.724 119.800 0.377 0.000 2.156 392 Q HA -0.244 4.096 4.340 -0.000 0.000 0.211 392 Q C 2.111 178.272 176.000 0.267 0.000 0.995 392 Q CA 2.173 58.148 55.803 0.286 0.000 0.877 392 Q CB -0.836 28.011 28.738 0.182 0.000 0.920 392 Q HN 0.634 nan 8.270 nan 0.000 0.416 393 L N -0.848 120.533 121.223 0.264 0.000 2.131 393 L HA 0.020 4.359 4.340 -0.000 0.000 0.206 393 L C 2.160 179.138 176.870 0.179 0.000 1.087 393 L CA 0.882 55.837 54.840 0.192 0.000 0.767 393 L CB -0.127 42.032 42.059 0.166 0.000 0.917 393 L HN 0.348 nan 8.230 nan 0.000 0.441 394 I N -0.856 119.840 120.570 0.210 0.000 2.361 394 I HA -0.301 3.869 4.170 -0.000 0.000 0.251 394 I C 2.325 178.442 176.117 0.001 0.000 1.133 394 I CA 0.957 62.297 61.300 0.067 0.000 1.413 394 I CB -0.567 37.400 38.000 -0.055 0.000 1.073 394 I HN 0.393 nan 8.210 nan 0.000 0.424 395 H N 0.617 119.780 119.070 0.154 0.000 2.372 395 H HA 0.034 4.590 4.556 -0.000 0.000 0.301 395 H C 1.126 176.527 175.328 0.122 0.000 1.065 395 H CA 1.128 57.293 56.048 0.195 0.000 1.364 395 H CB 0.325 30.291 29.762 0.341 0.000 1.406 395 H HN 0.463 nan 8.280 nan 0.000 0.521 396 Q N 0.001 119.908 119.800 0.178 0.000 2.086 396 Q HA 0.241 4.581 4.340 -0.000 0.000 0.220 396 Q C 0.622 176.640 176.000 0.029 0.000 0.792 396 Q CA -0.350 55.469 55.803 0.027 0.000 1.062 396 Q CB 1.978 30.649 28.738 -0.110 0.000 1.198 396 Q HN 0.173 nan 8.270 nan 0.000 0.466 397 G N 0.577 109.412 108.800 0.058 0.000 2.543 397 G HA2 0.214 4.174 3.960 -0.000 0.000 0.290 397 G HA3 0.214 4.174 3.960 -0.000 0.000 0.290 397 G C 0.600 175.517 174.900 0.028 0.000 1.310 397 G CA -0.163 44.962 45.100 0.042 0.000 1.025 397 G HN 0.163 nan 8.290 nan 0.000 0.502 398 T N -2.599 111.969 114.554 0.022 0.000 3.251 398 T HA 0.391 4.741 4.350 -0.000 0.000 0.259 398 T C 0.163 174.879 174.700 0.027 0.000 0.998 398 T CA -0.423 61.690 62.100 0.021 0.000 0.905 398 T CB -0.592 68.285 68.868 0.016 0.000 1.067 398 T HN 0.567 nan 8.240 nan 0.000 0.569 399 K N 0.571 120.987 120.400 0.028 0.000 2.469 399 K HA 0.611 4.931 4.320 -0.000 0.000 0.254 399 K C -1.074 175.543 176.600 0.028 0.000 0.939 399 K CA -1.127 55.180 56.287 0.033 0.000 0.812 399 K CB 2.213 34.729 32.500 0.027 0.000 1.301 399 K HN 0.109 nan 8.250 nan 0.000 0.433 400 M N 3.491 123.105 119.600 0.024 0.000 2.162 400 M HA 0.325 4.805 4.480 -0.000 0.000 0.356 400 M C -1.274 175.012 176.300 -0.023 0.000 1.303 400 M CA -0.175 55.112 55.300 -0.022 0.000 1.116 400 M CB 0.327 32.898 32.600 -0.048 0.000 1.632 400 M HN 0.637 nan 8.290 nan 0.000 0.469 401 I N 7.759 128.295 120.570 -0.056 0.000 2.521 401 I HA 0.351 4.521 4.170 -0.000 0.000 0.277 401 I C -2.335 173.693 176.117 -0.148 0.000 1.054 401 I CA -1.965 59.317 61.300 -0.029 0.000 1.117 401 I CB 1.338 39.389 38.000 0.085 0.000 1.217 401 I HN 0.472 nan 8.210 nan 0.000 0.469 402 P HA 0.166 nan 4.420 nan 0.000 0.271 402 P C -0.896 176.252 177.300 -0.254 0.000 1.216 402 P CA -0.126 62.793 63.100 -0.302 0.000 0.776 402 P CB 0.643 32.153 31.700 -0.316 0.000 0.881 403 C N 1.690 120.881 119.300 -0.182 0.000 2.698 403 C HA 0.415 4.875 4.460 -0.000 0.000 0.309 403 C C -0.592 174.399 174.990 0.002 0.000 1.186 403 C CA -0.561 58.342 59.018 -0.191 0.000 1.474 403 C CB 1.793 29.524 27.740 -0.016 0.000 2.020 403 C HN 0.477 nan 8.230 nan 0.000 0.474 404 D N 1.289 121.666 120.400 -0.038 0.000 2.274 404 D HA 0.460 5.100 4.640 -0.000 0.000 0.239 404 D C -0.821 175.640 176.300 0.269 0.000 1.104 404 D CA 0.216 54.347 54.000 0.219 0.000 0.840 404 D CB 0.696 41.685 40.800 0.315 0.000 1.100 404 D HN 0.368 nan 8.370 nan 0.000 0.477 405 F N 2.147 122.172 119.950 0.125 0.000 2.415 405 F HA 0.410 4.937 4.527 -0.000 0.000 0.348 405 F C -0.072 175.992 175.800 0.440 0.000 1.119 405 F CA -0.864 57.242 58.000 0.176 0.000 1.069 405 F CB 0.992 39.842 39.000 -0.250 0.000 1.124 405 F HN 0.013 nan 8.300 nan 0.000 0.472 406 L N 5.316 126.884 121.223 0.575 0.000 2.370 406 L HA 0.736 5.076 4.340 -0.000 0.000 0.266 406 L C -0.924 176.059 176.870 0.189 0.000 1.002 406 L CA -0.634 54.467 54.840 0.436 0.000 0.818 406 L CB 2.387 44.694 42.059 0.414 0.000 1.325 406 L HN 0.576 nan 8.230 nan 0.000 0.418 407 I N 2.259 122.633 120.570 -0.327 0.000 2.771 407 I HA 0.482 4.652 4.170 -0.000 0.000 0.291 407 I C -2.842 172.612 176.117 -1.105 0.000 1.527 407 I CA -1.352 59.605 61.300 -0.571 0.000 1.024 407 I CB 3.208 40.687 38.000 -0.868 0.000 1.388 407 I HN 0.391 nan 8.210 nan 0.000 0.447 408 P HA 0.222 nan 4.420 nan 0.000 0.286 408 P C 0.187 177.411 177.300 -0.127 0.000 1.261 408 P CA -0.242 62.589 63.100 -0.449 0.000 0.821 408 P CB 2.106 33.829 31.700 0.039 0.000 1.013 409 V N 1.604 121.459 119.914 -0.097 0.000 2.649 409 V HA -0.082 4.038 4.120 -0.000 0.000 0.248 409 V C 1.128 177.250 176.094 0.047 0.000 1.054 409 V CA 1.666 63.978 62.300 0.019 0.000 1.073 409 V CB -0.742 31.067 31.823 -0.024 0.000 0.699 409 V HN 0.574 nan 8.190 nan 0.000 0.463 410 Q N -0.076 119.699 119.800 -0.040 0.000 2.322 410 Q HA 0.422 4.762 4.340 -0.000 0.000 0.265 410 Q C -0.160 175.686 176.000 -0.256 0.000 0.985 410 Q CA -0.113 55.608 55.803 -0.138 0.000 0.849 410 Q CB 2.114 30.819 28.738 -0.055 0.000 1.274 410 Q HN 0.310 nan 8.270 nan 0.000 0.449 411 T N 0.699 114.948 114.554 -0.509 0.000 2.922 411 T HA 0.085 4.435 4.350 -0.000 0.000 0.285 411 T C 0.850 175.445 174.700 -0.174 0.000 1.005 411 T CA -0.405 61.445 62.100 -0.415 0.000 1.061 411 T CB 0.894 69.421 68.868 -0.569 0.000 1.007 411 T HN 0.523 nan 8.240 nan 0.000 0.502 412 Q N 1.661 121.423 119.800 -0.063 0.000 2.482 412 Q HA 0.027 4.366 4.340 -0.000 0.000 0.209 412 Q C -0.095 175.641 176.000 -0.441 0.000 0.961 412 Q CA 0.773 56.465 55.803 -0.186 0.000 0.945 412 Q CB 0.111 28.782 28.738 -0.111 0.000 1.012 412 Q HN 0.670 nan 8.270 nan 0.000 0.515 413 H N 0.759 119.797 119.070 -0.053 0.000 2.429 413 H HA 0.174 4.730 4.556 -0.000 0.000 0.231 413 H C -2.187 173.097 175.328 -0.072 0.000 1.416 413 H CA -1.482 54.529 56.048 -0.061 0.000 1.443 413 H CB 1.152 30.871 29.762 -0.071 0.000 1.591 413 H HN 0.041 nan 8.280 nan 0.000 0.507 414 P HA 0.048 nan 4.420 nan 0.000 0.231 414 P C 0.763 178.074 177.300 0.019 0.000 1.756 414 P CA -0.039 63.062 63.100 0.001 0.000 0.990 414 P CB -0.703 30.981 31.700 -0.026 0.000 1.973 415 I N -2.974 117.605 120.570 0.015 0.000 2.882 415 I HA 0.234 4.404 4.170 -0.000 0.000 0.286 415 I C 0.732 176.879 176.117 0.050 0.000 1.139 415 I CA -0.708 60.591 61.300 -0.002 0.000 1.379 415 I CB 0.137 38.082 38.000 -0.092 0.000 1.410 415 I HN 0.051 nan 8.210 nan 0.000 0.594 416 R N 2.588 123.119 120.500 0.051 0.000 3.251 416 R HA -0.175 4.165 4.340 -0.000 0.000 0.249 416 R C -0.276 176.066 176.300 0.070 0.000 0.949 416 R CA 0.874 57.021 56.100 0.077 0.000 0.645 416 R CB -1.358 29.026 30.300 0.141 0.000 1.065 416 R HN 0.815 nan 8.270 nan 0.000 0.452 417 K N -0.963 119.464 120.400 0.045 0.000 3.278 417 K HA -0.246 4.074 4.320 -0.000 0.000 0.270 417 K C 0.731 177.362 176.600 0.052 0.000 0.955 417 K CA 0.968 57.277 56.287 0.037 0.000 0.723 417 K CB -1.553 30.965 32.500 0.029 0.000 1.382 417 K HN 0.904 nan 8.250 nan 0.000 0.461 418 G N 0.426 109.265 108.800 0.066 0.000 2.321 418 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.287 418 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.287 418 G C 0.597 175.568 174.900 0.119 0.000 1.018 418 G CA 0.562 45.718 45.100 0.094 0.000 0.855 418 G HN 0.393 nan 8.290 nan 0.000 0.507 419 L N -0.435 120.864 121.223 0.126 0.000 2.072 419 L HA 0.107 4.447 4.340 -0.000 0.000 0.205 419 L C 2.492 179.409 176.870 0.078 0.000 1.079 419 L CA 2.443 57.331 54.840 0.080 0.000 0.752 419 L CB -0.654 41.439 42.059 0.057 0.000 0.906 419 L HN 0.481 nan 8.230 nan 0.000 0.436 420 H N -1.437 117.662 119.070 0.048 0.000 2.289 420 H HA -0.241 4.315 4.556 -0.000 0.000 0.296 420 H C 2.144 177.520 175.328 0.081 0.000 1.091 420 H CA 2.239 58.318 56.048 0.052 0.000 1.274 420 H CB -0.191 29.599 29.762 0.046 0.000 1.364 420 H HN 0.495 nan 8.280 nan 0.000 0.490 421 H N 1.050 120.202 119.070 0.136 0.000 2.456 421 H HA -0.064 4.492 4.556 -0.000 0.000 0.296 421 H C 2.392 177.747 175.328 0.045 0.000 1.079 421 H CA 1.493 57.586 56.048 0.075 0.000 1.322 421 H CB 0.109 29.900 29.762 0.050 0.000 1.388 421 H HN 0.194 nan 8.280 nan 0.000 0.538 422 K N 0.185 120.632 120.400 0.078 0.000 2.026 422 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 422 K C 1.936 178.519 176.600 -0.028 0.000 1.048 422 K CA 1.714 58.007 56.287 0.010 0.000 0.929 422 K CB -0.097 32.417 32.500 0.025 0.000 0.713 422 K HN 0.343 nan 8.250 nan 0.000 0.439 423 I N 1.169 121.726 120.570 -0.022 0.000 2.439 423 I HA -0.221 3.949 4.170 -0.000 0.000 0.251 423 I C 2.258 178.376 176.117 0.001 0.000 1.139 423 I CA 0.327 61.613 61.300 -0.024 0.000 1.438 423 I CB -0.106 37.863 38.000 -0.052 0.000 1.085 423 I HN 0.211 nan 8.210 nan 0.000 0.427 424 L N 0.641 121.855 121.223 -0.015 0.000 2.109 424 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 424 L C 2.222 179.099 176.870 0.013 0.000 1.086 424 L CA 1.679 56.537 54.840 0.030 0.000 0.760 424 L CB -0.312 41.734 42.059 -0.021 0.000 0.910 424 L HN 0.108 nan 8.230 nan 0.000 0.437 425 L N -0.591 120.543 121.223 -0.149 0.000 2.005 425 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 425 L C 2.716 179.598 176.870 0.020 0.000 1.072 425 L CA 1.279 56.044 54.840 -0.124 0.000 0.744 425 L CB -0.936 41.020 42.059 -0.172 0.000 0.895 425 L HN 0.359 nan 8.230 nan 0.000 0.433 426 A N 0.012 122.835 122.820 0.005 0.000 1.908 426 A HA -0.246 4.073 4.320 -0.000 0.000 0.218 426 A C 2.065 179.674 177.584 0.042 0.000 1.181 426 A CA 2.065 54.110 52.037 0.013 0.000 0.627 426 A CB -0.726 18.270 19.000 -0.006 0.000 0.818 426 A HN 0.506 nan 8.150 nan 0.000 0.445 427 N N -1.428 117.327 118.700 0.091 0.000 2.244 427 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 427 N C 1.565 177.176 175.510 0.168 0.000 1.016 427 N CA 1.520 54.660 53.050 0.149 0.000 0.866 427 N CB -0.283 38.342 38.487 0.230 0.000 0.980 427 N HN 0.661 nan 8.380 nan 0.000 0.430 428 F N 1.512 121.408 119.950 -0.089 0.000 2.325 428 F HA 0.022 4.549 4.527 -0.000 0.000 0.299 428 F C 1.891 177.545 175.800 -0.244 0.000 1.090 428 F CA 0.603 58.363 58.000 -0.401 0.000 1.392 428 F CB 0.039 38.702 39.000 -0.562 0.000 1.053 428 F HN -0.097 nan 8.300 nan 0.000 0.521 429 L N -0.163 121.069 121.223 0.015 0.000 2.209 429 L HA 0.042 4.381 4.340 -0.000 0.000 0.207 429 L C 2.684 179.432 176.870 -0.204 0.000 1.094 429 L CA 0.914 55.692 54.840 -0.104 0.000 0.790 429 L CB -0.700 41.352 42.059 -0.012 0.000 0.932 429 L HN 0.215 nan 8.230 nan 0.000 0.447 430 A N -1.219 121.522 122.820 -0.131 0.000 2.021 430 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 430 A C 2.169 179.682 177.584 -0.118 0.000 1.163 430 A CA 0.513 52.478 52.037 -0.121 0.000 0.676 430 A CB -0.127 18.829 19.000 -0.074 0.000 0.818 430 A HN 0.275 nan 8.150 nan 0.000 0.453 431 Q N 0.106 119.859 119.800 -0.079 0.000 2.084 431 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 431 Q C 2.341 178.226 176.000 -0.192 0.000 0.978 431 Q CA 2.247 58.077 55.803 0.044 0.000 0.844 431 Q CB -0.980 27.980 28.738 0.370 0.000 0.898 431 Q HN 0.847 nan 8.270 nan 0.000 0.426 432 T N -2.240 111.990 114.554 -0.540 0.000 2.985 432 T HA -0.062 4.287 4.350 -0.000 0.000 0.266 432 T C 1.689 176.178 174.700 -0.351 0.000 1.076 432 T CA 1.123 62.858 62.100 -0.608 0.000 1.135 432 T CB 0.065 68.409 68.868 -0.873 0.000 0.890 432 T HN 0.309 nan 8.240 nan 0.000 0.480 433 E N 1.329 121.357 120.200 -0.287 0.000 2.047 433 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 433 E C 2.464 178.963 176.600 -0.168 0.000 0.987 433 E CA 0.950 57.212 56.400 -0.230 0.000 0.799 433 E CB -0.387 29.193 29.700 -0.200 0.000 0.752 433 E HN 0.629 nan 8.360 nan 0.000 0.449 434 A N 1.024 123.774 122.820 -0.117 0.000 1.898 434 A HA -0.110 4.209 4.320 -0.000 0.000 0.216 434 A C 2.174 179.772 177.584 0.024 0.000 1.181 434 A CA 0.875 52.880 52.037 -0.053 0.000 0.620 434 A CB -0.641 18.342 19.000 -0.028 0.000 0.819 434 A HN 0.302 nan 8.150 nan 0.000 0.442 435 L N -1.057 120.168 121.223 0.004 0.000 2.261 435 L HA -0.178 4.162 4.340 -0.000 0.000 0.216 435 L C 2.726 179.557 176.870 -0.064 0.000 1.114 435 L CA 1.142 55.937 54.840 -0.075 0.000 0.777 435 L CB -0.317 41.606 42.059 -0.227 0.000 0.910 435 L HN 0.539 nan 8.230 nan 0.000 0.440 436 M N -0.024 119.523 119.600 -0.088 0.000 2.155 436 M HA -0.163 4.317 4.480 -0.000 0.000 0.258 436 M C 2.414 178.691 176.300 -0.037 0.000 1.092 436 M CA 1.710 56.965 55.300 -0.075 0.000 1.153 436 M CB -0.040 32.471 32.600 -0.149 0.000 1.316 436 M HN 0.112 nan 8.290 nan 0.000 0.431 437 K N -0.260 120.103 120.400 -0.061 0.000 2.137 437 K HA 0.085 4.405 4.320 -0.000 0.000 0.202 437 K C 1.033 177.632 176.600 -0.001 0.000 1.052 437 K CA 1.255 57.517 56.287 -0.041 0.000 0.961 437 K CB -0.167 32.285 32.500 -0.080 0.000 0.741 437 K HN 0.539 nan 8.250 nan 0.000 0.452 438 G N 1.237 110.039 108.800 0.005 0.000 2.598 438 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.244 438 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.244 438 G C -0.999 173.915 174.900 0.024 0.000 1.302 438 G CA 0.296 45.435 45.100 0.064 0.000 0.903 438 G HN 0.498 nan 8.290 nan 0.000 0.575 439 K N -0.446 120.024 120.400 0.118 0.000 2.616 439 K HA 0.556 4.875 4.320 -0.000 0.000 0.255 439 K C 0.350 177.022 176.600 0.119 0.000 0.995 439 K CA 0.205 56.543 56.287 0.086 0.000 0.860 439 K CB 0.965 33.506 32.500 0.069 0.000 1.264 439 K HN 1.305 nan 8.250 nan 0.000 0.451 440 S N 1.851 117.591 115.700 0.067 0.000 2.608 440 S HA 0.089 4.559 4.470 -0.000 0.000 0.261 440 S C 1.068 175.698 174.600 0.050 0.000 1.314 440 S CA -0.061 58.173 58.200 0.057 0.000 0.992 440 S CB 1.140 64.363 63.200 0.037 0.000 0.935 440 S HN 0.593 nan 8.310 nan 0.000 0.564 441 T N 1.003 115.582 114.554 0.041 0.000 2.665 441 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 441 T C 1.759 176.475 174.700 0.027 0.000 1.035 441 T CA 2.077 64.198 62.100 0.035 0.000 1.151 441 T CB -0.676 68.213 68.868 0.035 0.000 0.862 441 T HN 0.850 nan 8.240 nan 0.000 0.438 442 E N 1.355 121.570 120.200 0.025 0.000 2.058 442 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 442 E C 2.100 178.701 176.600 0.002 0.000 0.997 442 E CA 1.652 58.063 56.400 0.018 0.000 0.801 442 E CB -0.256 29.455 29.700 0.019 0.000 0.746 442 E HN 0.585 nan 8.360 nan 0.000 0.450 443 E N -0.178 120.024 120.200 0.004 0.000 2.070 443 E HA -0.241 4.109 4.350 -0.000 0.000 0.197 443 E C 2.051 178.635 176.600 -0.027 0.000 1.004 443 E CA 1.240 57.634 56.400 -0.009 0.000 0.805 443 E CB -0.295 29.404 29.700 -0.003 0.000 0.744 443 E HN 0.420 nan 8.360 nan 0.000 0.451 444 A N 1.327 124.137 122.820 -0.018 0.000 1.968 444 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 444 A C 2.084 179.590 177.584 -0.130 0.000 1.169 444 A CA 0.979 52.989 52.037 -0.045 0.000 0.638 444 A CB -0.331 18.670 19.000 0.002 0.000 0.812 444 A HN 0.057 nan 8.150 nan 0.000 0.446 445 R N 0.165 120.601 120.500 -0.106 0.000 2.073 445 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 445 R C 2.288 178.458 176.300 -0.218 0.000 1.134 445 R CA 1.783 57.776 56.100 -0.179 0.000 0.952 445 R CB -0.284 30.013 30.300 -0.005 0.000 0.850 445 R HN 0.490 nan 8.270 nan 0.000 0.433 446 K N 0.850 121.190 120.400 -0.100 0.000 2.063 446 K HA -0.197 4.122 4.320 -0.000 0.000 0.208 446 K C 1.729 178.270 176.600 -0.098 0.000 1.048 446 K CA 1.784 58.031 56.287 -0.067 0.000 0.928 446 K CB -0.073 32.407 32.500 -0.035 0.000 0.713 446 K HN 0.301 nan 8.250 nan 0.000 0.442 447 E N 0.617 120.746 120.200 -0.117 0.000 2.051 447 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 447 E C 2.229 178.733 176.600 -0.159 0.000 0.991 447 E CA 1.219 57.552 56.400 -0.111 0.000 0.799 447 E CB -0.061 29.581 29.700 -0.098 0.000 0.748 447 E HN 0.288 nan 8.360 nan 0.000 0.449 448 L N 0.743 121.787 121.223 -0.297 0.000 2.017 448 L HA -0.262 4.078 4.340 -0.000 0.000 0.208 448 L C 2.823 179.512 176.870 -0.303 0.000 1.073 448 L CA 1.318 55.892 54.840 -0.444 0.000 0.745 448 L CB -0.387 41.049 42.059 -1.038 0.000 0.894 448 L HN 0.256 nan 8.230 nan 0.000 0.432 449 Q N -0.277 119.366 119.800 -0.261 0.000 2.077 449 Q HA -0.294 4.045 4.340 -0.000 0.000 0.206 449 Q C 2.243 178.258 176.000 0.025 0.000 0.989 449 Q CA 2.193 58.015 55.803 0.033 0.000 0.853 449 Q CB -0.137 28.637 28.738 0.060 0.000 0.907 449 Q HN 0.561 nan 8.270 nan 0.000 0.418 450 A N 0.739 123.546 122.820 -0.022 0.000 1.908 450 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 450 A C 2.171 179.751 177.584 -0.007 0.000 1.181 450 A CA 1.698 53.728 52.037 -0.013 0.000 0.627 450 A CB -0.989 17.994 19.000 -0.027 0.000 0.818 450 A HN 0.549 nan 8.150 nan 0.000 0.445 451 A N -1.270 121.537 122.820 -0.021 0.000 2.277 451 A HA 0.336 4.656 4.320 -0.000 0.000 0.208 451 A C 1.853 179.452 177.584 0.024 0.000 1.202 451 A CA 1.332 53.365 52.037 -0.006 0.000 0.762 451 A CB -1.515 17.474 19.000 -0.019 0.000 0.770 451 A HN 2.026 nan 8.150 nan 0.000 0.487 452 G N -0.614 108.209 108.800 0.040 0.000 2.203 452 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.263 452 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.263 452 G C 0.300 175.260 174.900 0.099 0.000 1.012 452 G CA 0.774 45.911 45.100 0.063 0.000 0.749 452 G HN 0.567 nan 8.290 nan 0.000 0.512 453 K N 0.181 120.676 120.400 0.159 0.000 2.318 453 K HA 0.683 5.003 4.320 -0.000 0.000 0.243 453 K C 0.699 177.449 176.600 0.250 0.000 1.047 453 K CA 0.199 56.617 56.287 0.220 0.000 0.937 453 K CB 0.567 33.258 32.500 0.320 0.000 1.225 453 K HN 0.822 nan 8.250 nan 0.000 0.506 454 S N -1.233 114.534 115.700 0.111 0.000 2.536 454 S HA 0.366 4.836 4.470 -0.000 0.000 0.287 454 S C -2.323 171.935 174.600 -0.570 0.000 1.101 454 S CA -1.420 56.719 58.200 -0.100 0.000 0.950 454 S CB 2.046 65.203 63.200 -0.071 0.000 1.056 454 S HN 0.117 nan 8.310 nan 0.000 0.481 455 P HA -0.231 nan 4.420 nan 0.000 0.218 455 P C 1.424 178.319 177.300 -0.675 0.000 1.150 455 P CA 1.615 64.022 63.100 -1.155 0.000 0.841 455 P CB 0.021 31.435 31.700 -0.476 0.000 0.784 456 E N -0.424 119.556 120.200 -0.366 0.000 2.106 456 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 456 E C 1.228 177.725 176.600 -0.171 0.000 0.984 456 E CA 1.224 57.499 56.400 -0.208 0.000 0.806 456 E CB -1.155 28.471 29.700 -0.123 0.000 0.750 456 E HN 0.313 nan 8.360 nan 0.000 0.458 457 D N 1.796 122.089 120.400 -0.178 0.000 2.075 457 D HA -0.150 4.489 4.640 -0.000 0.000 0.196 457 D C 1.960 178.257 176.300 -0.005 0.000 0.985 457 D CA 1.300 55.266 54.000 -0.057 0.000 0.834 457 D CB -0.796 40.010 40.800 0.010 0.000 0.987 457 D HN 0.434 nan 8.370 nan 0.000 0.452 458 F N 1.030 120.990 119.950 0.017 0.000 2.816 458 F HA 0.248 4.775 4.527 -0.000 0.000 0.302 458 F C 1.761 177.579 175.800 0.030 0.000 1.178 458 F CA -0.157 57.857 58.000 0.024 0.000 1.421 458 F CB -0.701 38.314 39.000 0.024 0.000 1.114 458 F HN -0.108 nan 8.300 nan 0.000 0.573 459 E N 1.689 121.887 120.200 -0.003 0.000 2.118 459 E HA -0.213 4.136 4.350 -0.000 0.000 0.195 459 E C 1.568 178.233 176.600 0.107 0.000 0.992 459 E CA 1.705 58.131 56.400 0.043 0.000 0.804 459 E CB 0.022 29.701 29.700 -0.037 0.000 0.741 459 E HN 0.618 nan 8.360 nan 0.000 0.458 460 K N -0.315 120.146 120.400 0.103 0.000 2.356 460 K HA -0.007 4.313 4.320 -0.000 0.000 0.195 460 K C 1.928 178.643 176.600 0.191 0.000 1.037 460 K CA 0.076 56.435 56.287 0.120 0.000 1.014 460 K CB 0.238 32.786 32.500 0.081 0.000 0.815 460 K HN 0.090 nan 8.250 nan 0.000 0.507 461 L N 1.395 122.731 121.223 0.189 0.000 2.127 461 L HA 0.016 4.356 4.340 -0.000 0.000 0.203 461 L C 1.944 178.945 176.870 0.218 0.000 1.080 461 L CA 1.024 55.978 54.840 0.190 0.000 0.768 461 L CB -0.547 41.597 42.059 0.142 0.000 0.924 461 L HN 0.029 nan 8.230 nan 0.000 0.444 462 L N 0.842 122.185 121.223 0.200 0.000 2.058 462 L HA -0.227 4.113 4.340 -0.000 0.000 0.226 462 L C -0.560 176.362 176.870 0.087 0.000 1.089 462 L CA 2.675 57.597 54.840 0.137 0.000 0.799 462 L CB -2.057 40.109 42.059 0.177 0.000 0.900 462 L HN 0.225 nan 8.230 nan 0.000 0.442 463 P HA -0.133 nan 4.420 nan 0.000 0.218 463 P C 1.349 178.587 177.300 -0.103 0.000 1.149 463 P CA 1.476 64.544 63.100 -0.053 0.000 0.817 463 P CB -0.341 31.275 31.700 -0.141 0.000 0.785 464 H N -0.360 118.698 119.070 -0.021 0.000 2.545 464 H HA 0.054 4.610 4.556 -0.000 0.000 0.282 464 H C 1.075 176.349 175.328 -0.090 0.000 1.020 464 H CA 0.914 56.930 56.048 -0.052 0.000 1.243 464 H CB 0.128 29.875 29.762 -0.025 0.000 1.377 464 H HN 0.219 nan 8.280 nan 0.000 0.581 465 K N 0.943 121.378 120.400 0.059 0.000 2.373 465 K HA 0.186 4.506 4.320 -0.000 0.000 0.202 465 K C 0.092 176.755 176.600 0.106 0.000 1.025 465 K CA -0.015 56.318 56.287 0.076 0.000 1.115 465 K CB 1.372 33.933 32.500 0.102 0.000 0.858 465 K HN -0.059 nan 8.250 nan 0.000 0.525 466 V N 1.679 121.581 119.914 -0.020 0.000 2.567 466 V HA 0.319 4.438 4.120 -0.000 0.000 0.289 466 V C -0.333 175.683 176.094 -0.129 0.000 1.049 466 V CA -0.440 61.884 62.300 0.040 0.000 0.969 466 V CB 0.635 32.463 31.823 0.008 0.000 0.995 466 V HN 0.012 nan 8.190 nan 0.000 0.471 467 F N 2.169 122.132 119.950 0.020 0.000 2.477 467 F HA 0.414 4.941 4.527 -0.000 0.000 0.335 467 F C 1.203 177.025 175.800 0.036 0.000 1.130 467 F CA -0.480 57.544 58.000 0.040 0.000 0.948 467 F CB 1.883 40.910 39.000 0.045 0.000 1.154 467 F HN 0.542 nan 8.300 nan 0.000 0.439 468 E N 2.195 122.491 120.200 0.160 0.000 2.152 468 E HA 0.144 4.493 4.350 -0.000 0.000 0.192 468 E C 1.549 178.217 176.600 0.115 0.000 0.983 468 E CA 0.666 57.131 56.400 0.109 0.000 0.818 468 E CB 0.015 29.754 29.700 0.064 0.000 0.758 468 E HN 0.937 nan 8.360 nan 0.000 0.467 469 G N 1.526 110.412 108.800 0.144 0.000 2.539 469 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.256 469 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.256 469 G C 0.164 175.098 174.900 0.056 0.000 1.233 469 G CA 0.053 45.214 45.100 0.102 0.000 0.936 469 G HN 0.326 nan 8.290 nan 0.000 0.571 470 N N -0.872 117.853 118.700 0.041 0.000 2.714 470 N HA -0.186 4.554 4.740 -0.000 0.000 0.250 470 N C 0.250 175.764 175.510 0.006 0.000 1.117 470 N CA 2.005 55.079 53.050 0.041 0.000 0.719 470 N CB -0.672 37.852 38.487 0.061 0.000 1.081 470 N HN 0.858 nan 8.380 nan 0.000 0.557 471 R N 0.284 120.770 120.500 -0.024 0.000 2.294 471 R HA 0.457 4.797 4.340 -0.000 0.000 0.319 471 R C -2.265 173.979 176.300 -0.093 0.000 0.984 471 R CA -1.585 54.469 56.100 -0.077 0.000 0.861 471 R CB 1.144 31.386 30.300 -0.096 0.000 1.104 471 R HN 0.129 nan 8.270 nan 0.000 0.451 472 P HA 0.192 nan 4.420 nan 0.000 0.281 472 P C -0.856 176.384 177.300 -0.100 0.000 1.249 472 P CA -0.422 62.633 63.100 -0.075 0.000 0.810 472 P CB 1.423 33.073 31.700 -0.082 0.000 1.008 473 T N -1.852 112.686 114.554 -0.026 0.000 2.885 473 T HA 0.461 4.811 4.350 -0.000 0.000 0.322 473 T C -0.825 173.929 174.700 0.090 0.000 1.387 473 T CA -0.987 61.105 62.100 -0.014 0.000 1.041 473 T CB 0.657 69.419 68.868 -0.176 0.000 1.287 473 T HN 0.265 nan 8.240 nan 0.000 0.491 474 N N 0.249 119.048 118.700 0.166 0.000 2.456 474 N HA 0.637 5.377 4.740 -0.000 0.000 0.296 474 N C -0.915 174.724 175.510 0.216 0.000 1.102 474 N CA -0.888 52.299 53.050 0.229 0.000 0.924 474 N CB 1.543 40.205 38.487 0.293 0.000 1.186 474 N HN 0.531 nan 8.380 nan 0.000 0.492 475 S N 1.349 117.187 115.700 0.230 0.000 2.498 475 S HA 0.472 4.942 4.470 -0.000 0.000 0.317 475 S C -0.802 174.022 174.600 0.374 0.000 1.090 475 S CA -0.529 57.847 58.200 0.293 0.000 1.089 475 S CB 0.309 63.643 63.200 0.222 0.000 0.997 475 S HN 0.323 nan 8.310 nan 0.000 0.470 476 I N 3.776 124.610 120.570 0.439 0.000 2.359 476 I HA 0.366 4.536 4.170 -0.000 0.000 0.284 476 I C -0.731 175.551 176.117 0.275 0.000 1.018 476 I CA -0.392 61.136 61.300 0.380 0.000 1.173 476 I CB 1.502 39.758 38.000 0.427 0.000 1.326 476 I HN 0.257 nan 8.210 nan 0.000 0.462 477 V N 7.249 127.266 119.914 0.172 0.000 2.378 477 V HA 0.550 4.670 4.120 -0.000 0.000 0.288 477 V C -0.370 175.725 176.094 0.003 0.000 1.016 477 V CA -0.680 61.555 62.300 -0.108 0.000 0.840 477 V CB 0.650 32.432 31.823 -0.068 0.000 0.994 477 V HN 0.483 nan 8.190 nan 0.000 0.431 478 F N 0.725 120.691 119.950 0.026 0.000 2.561 478 F HA 0.656 5.183 4.527 -0.000 0.000 0.321 478 F C 1.328 177.141 175.800 0.021 0.000 1.065 478 F CA -0.868 57.149 58.000 0.029 0.000 0.934 478 F CB 0.974 39.994 39.000 0.033 0.000 1.215 478 F HN 0.261 nan 8.300 nan 0.000 0.471 479 T N -0.711 113.970 114.554 0.212 0.000 2.622 479 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 479 T C 0.366 175.145 174.700 0.133 0.000 1.047 479 T CA 1.526 63.696 62.100 0.116 0.000 1.159 479 T CB -0.165 68.755 68.868 0.087 0.000 0.863 479 T HN 0.563 nan 8.240 nan 0.000 0.422 480 K N -0.166 120.366 120.400 0.221 0.000 2.551 480 K HA 0.404 4.724 4.320 -0.000 0.000 0.269 480 K C -2.078 174.696 176.600 0.290 0.000 0.949 480 K CA -0.794 55.618 56.287 0.209 0.000 0.849 480 K CB 1.788 34.361 32.500 0.121 0.000 1.411 480 K HN -0.063 nan 8.250 nan 0.000 0.432 481 L N 3.671 125.070 121.223 0.293 0.000 2.375 481 L HA 0.240 4.580 4.340 -0.000 0.000 0.276 481 L C -0.275 176.702 176.870 0.179 0.000 1.162 481 L CA 0.454 55.435 54.840 0.234 0.000 0.991 481 L CB -0.065 42.166 42.059 0.286 0.000 1.315 481 L HN 0.707 nan 8.230 nan 0.000 0.431 482 T N 0.944 115.563 114.554 0.108 0.000 2.905 482 T HA 0.584 4.934 4.350 -0.000 0.000 0.283 482 T C -1.988 172.656 174.700 -0.093 0.000 1.031 482 T CA -1.851 60.269 62.100 0.034 0.000 1.002 482 T CB 1.368 70.267 68.868 0.053 0.000 1.200 482 T HN 0.125 nan 8.240 nan 0.000 0.560 483 P HA -0.049 nan 4.420 nan 0.000 0.214 483 P C 1.277 178.529 177.300 -0.080 0.000 1.163 483 P CA 0.890 63.864 63.100 -0.209 0.000 0.889 483 P CB -0.169 31.361 31.700 -0.282 0.000 0.790 484 F N 0.183 120.030 119.950 -0.171 0.000 2.025 484 F HA -0.243 4.284 4.527 -0.000 0.000 0.297 484 F C 2.059 177.782 175.800 -0.129 0.000 1.132 484 F CA 1.617 59.526 58.000 -0.152 0.000 1.191 484 F CB -0.797 38.093 39.000 -0.182 0.000 0.963 484 F HN -0.246 nan 8.300 nan 0.000 0.481 485 I N 0.384 121.029 120.570 0.126 0.000 2.208 485 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 485 I C 2.447 178.461 176.117 -0.173 0.000 1.097 485 I CA 1.333 62.608 61.300 -0.041 0.000 1.363 485 I CB -1.725 36.266 38.000 -0.016 0.000 1.051 485 I HN 0.329 nan 8.210 nan 0.000 0.413 486 L N 1.140 122.278 121.223 -0.141 0.000 2.131 486 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 486 L C 2.316 179.166 176.870 -0.033 0.000 1.092 486 L CA 2.014 56.777 54.840 -0.128 0.000 0.759 486 L CB -1.019 40.978 42.059 -0.104 0.000 0.903 486 L HN 0.185 nan 8.230 nan 0.000 0.435 487 G N -0.812 107.953 108.800 -0.059 0.000 2.404 487 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.215 487 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.215 487 G C 1.587 176.514 174.900 0.046 0.000 1.174 487 G CA 0.653 45.798 45.100 0.075 0.000 0.780 487 G HN 0.608 nan 8.290 nan 0.000 0.537 488 A N 0.255 122.987 122.820 -0.146 0.000 1.969 488 A HA 0.189 4.509 4.320 -0.000 0.000 0.218 488 A C 2.414 180.023 177.584 0.042 0.000 1.169 488 A CA 0.988 52.973 52.037 -0.086 0.000 0.635 488 A CB -0.290 18.597 19.000 -0.188 0.000 0.810 488 A HN 0.360 nan 8.150 nan 0.000 0.445 489 L N -0.701 120.539 121.223 0.027 0.000 2.005 489 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 489 L C 2.490 179.587 176.870 0.379 0.000 1.072 489 L CA 1.378 56.291 54.840 0.121 0.000 0.744 489 L CB -0.511 41.520 42.059 -0.047 0.000 0.895 489 L HN 0.359 nan 8.230 nan 0.000 0.433 490 I N 0.020 120.868 120.570 0.463 0.000 2.163 490 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 490 I C 2.748 179.214 176.117 0.581 0.000 1.085 490 I CA 1.394 63.106 61.300 0.686 0.000 1.347 490 I CB -0.483 37.851 38.000 0.556 0.000 1.044 490 I HN 0.223 nan 8.210 nan 0.000 0.408 491 A N 0.061 123.114 122.820 0.389 0.000 2.024 491 A HA -0.258 4.061 4.320 -0.000 0.000 0.220 491 A C 2.354 179.989 177.584 0.086 0.000 1.164 491 A CA 1.754 53.874 52.037 0.139 0.000 0.643 491 A CB -0.650 18.336 19.000 -0.023 0.000 0.806 491 A HN 0.489 nan 8.150 nan 0.000 0.451 492 M N -2.025 117.669 119.600 0.157 0.000 2.086 492 M HA -0.155 4.325 4.480 -0.000 0.000 0.261 492 M C 1.932 178.206 176.300 -0.042 0.000 1.067 492 M CA 1.861 57.193 55.300 0.054 0.000 1.116 492 M CB -0.226 32.363 32.600 -0.019 0.000 1.348 492 M HN 0.479 nan 8.290 nan 0.000 0.407 493 Y N 0.572 120.878 120.300 0.010 0.000 2.314 493 Y HA -0.146 4.403 4.550 -0.000 0.000 0.293 493 Y C 2.286 178.194 175.900 0.014 0.000 1.129 493 Y CA 1.534 59.553 58.100 -0.134 0.000 1.201 493 Y CB -0.238 37.810 38.460 -0.687 0.000 0.999 493 Y HN 0.335 nan 8.280 nan 0.000 0.541 494 E N -0.634 119.730 120.200 0.273 0.000 2.097 494 E HA -0.256 4.093 4.350 -0.000 0.000 0.196 494 E C 1.785 178.441 176.600 0.093 0.000 1.000 494 E CA 1.519 58.071 56.400 0.253 0.000 0.804 494 E CB -0.199 29.571 29.700 0.116 0.000 0.740 494 E HN 0.618 nan 8.360 nan 0.000 0.454 495 H N 0.174 119.272 119.070 0.047 0.000 2.470 495 H HA -0.004 4.551 4.556 -0.000 0.000 0.289 495 H C 2.047 177.321 175.328 -0.090 0.000 1.033 495 H CA 0.868 56.790 56.048 -0.211 0.000 1.331 495 H CB -0.009 29.171 29.762 -0.970 0.000 1.414 495 H HN 0.112 nan 8.280 nan 0.000 0.545 496 K N 1.249 121.661 120.400 0.019 0.000 2.032 496 K HA -0.120 4.200 4.320 -0.000 0.000 0.209 496 K C 2.115 178.757 176.600 0.069 0.000 1.048 496 K CA 1.223 57.511 56.287 0.002 0.000 0.927 496 K CB -0.174 32.292 32.500 -0.057 0.000 0.712 496 K HN 0.109 nan 8.250 nan 0.000 0.441 497 I N 0.842 121.499 120.570 0.145 0.000 2.264 497 I HA -0.264 3.905 4.170 -0.000 0.000 0.248 497 I C 2.239 178.473 176.117 0.194 0.000 1.111 497 I CA 0.979 62.378 61.300 0.166 0.000 1.382 497 I CB -0.263 37.872 38.000 0.226 0.000 1.060 497 I HN 0.204 nan 8.210 nan 0.000 0.418 498 F N 0.988 121.015 119.950 0.128 0.000 2.075 498 F HA -0.215 4.312 4.527 -0.000 0.000 0.297 498 F C 2.360 178.249 175.800 0.147 0.000 1.113 498 F CA 1.646 59.762 58.000 0.193 0.000 1.218 498 F CB -0.643 38.565 39.000 0.346 0.000 0.984 498 F HN -0.213 nan 8.300 nan 0.000 0.472 499 V N 0.381 120.260 119.914 -0.058 0.000 2.490 499 V HA -0.327 3.793 4.120 -0.000 0.000 0.250 499 V C 2.363 178.288 176.094 -0.280 0.000 1.061 499 V CA 2.236 64.415 62.300 -0.201 0.000 1.064 499 V CB -0.731 31.072 31.823 -0.033 0.000 0.670 499 V HN 0.434 nan 8.190 nan 0.000 0.461 500 Q N -0.345 119.284 119.800 -0.285 0.000 2.119 500 Q HA -0.111 4.229 4.340 -0.000 0.000 0.201 500 Q C 2.357 178.073 176.000 -0.473 0.000 0.972 500 Q CA 1.537 56.989 55.803 -0.586 0.000 0.847 500 Q CB -0.453 27.885 28.738 -0.666 0.000 0.903 500 Q HN 0.719 nan 8.270 nan 0.000 0.433 501 G N -0.238 108.476 108.800 -0.144 0.000 2.422 501 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 501 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 501 G C 1.435 176.351 174.900 0.027 0.000 1.140 501 G CA 0.638 45.781 45.100 0.072 0.000 0.775 501 G HN 0.185 nan 8.290 nan 0.000 0.545 502 V N 1.114 120.938 119.914 -0.149 0.000 2.307 502 V HA -0.108 4.012 4.120 -0.000 0.000 0.245 502 V C 2.757 178.800 176.094 -0.084 0.000 1.045 502 V CA 1.446 63.668 62.300 -0.131 0.000 1.024 502 V CB -0.377 31.279 31.823 -0.279 0.000 0.651 502 V HN 0.372 nan 8.190 nan 0.000 0.449 503 I N -1.225 119.235 120.570 -0.183 0.000 2.286 503 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 503 I C 2.141 178.222 176.117 -0.060 0.000 1.115 503 I CA 1.474 62.664 61.300 -0.182 0.000 1.392 503 I CB -0.340 37.483 38.000 -0.294 0.000 1.065 503 I HN 0.401 nan 8.210 nan 0.000 0.418 504 W N 0.581 121.880 121.300 -0.003 0.000 3.180 504 W HA 0.026 4.686 4.660 0.000 0.000 0.254 504 W C 0.683 177.264 176.519 0.102 0.000 1.318 504 W CA 0.219 57.595 57.345 0.052 0.000 1.608 504 W CB -1.114 28.441 29.460 0.158 0.000 1.124 504 W HN 0.250 nan 8.180 nan 0.000 0.694 505 D N 0.446 120.992 120.400 0.243 0.000 2.800 505 D HA -0.209 4.431 4.640 -0.000 0.000 0.232 505 D C -0.019 176.434 176.300 0.254 0.000 1.137 505 D CA 1.013 55.126 54.000 0.188 0.000 0.718 505 D CB -1.341 39.535 40.800 0.127 0.000 1.084 505 D HN 0.307 nan 8.370 nan 0.000 0.432 506 I N -3.791 116.963 120.570 0.305 0.000 3.237 506 I HA 0.487 4.657 4.170 -0.000 0.000 0.308 506 I C 0.243 176.564 176.117 0.341 0.000 1.093 506 I CA -1.152 60.339 61.300 0.318 0.000 1.001 506 I CB 1.611 39.762 38.000 0.252 0.000 1.245 506 I HN -0.049 nan 8.210 nan 0.000 0.485 507 N N 0.630 119.447 118.700 0.195 0.000 2.457 507 N HA 0.263 5.003 4.740 -0.000 0.000 0.250 507 N C -0.143 175.339 175.510 -0.047 0.000 0.982 507 N CA -0.410 52.639 53.050 -0.001 0.000 0.941 507 N CB 1.053 39.285 38.487 -0.425 0.000 1.120 507 N HN 0.628 nan 8.380 nan 0.000 0.505 508 S N 2.794 118.383 115.700 -0.186 0.000 2.593 508 S HA 0.114 4.584 4.470 -0.000 0.000 0.217 508 S C 0.125 174.311 174.600 -0.690 0.000 0.966 508 S CA 0.004 57.912 58.200 -0.486 0.000 0.914 508 S CB -0.071 62.719 63.200 -0.683 0.000 0.776 508 S HN 0.573 nan 8.310 nan 0.000 0.523 509 F N 1.492 121.490 119.950 0.080 0.000 2.683 509 F HA 0.305 4.832 4.527 -0.000 0.000 0.306 509 F C 0.388 176.163 175.800 -0.041 0.000 1.102 509 F CA -0.940 57.101 58.000 0.068 0.000 1.244 509 F CB 0.307 39.352 39.000 0.076 0.000 1.029 509 F HN 0.075 nan 8.300 nan 0.000 0.545 510 D N -0.497 119.877 120.400 -0.044 0.000 2.621 510 D HA 0.407 5.047 4.640 -0.000 0.000 0.255 510 D C -0.289 175.847 176.300 -0.273 0.000 1.122 510 D CA -0.692 53.146 54.000 -0.269 0.000 1.096 510 D CB 0.567 41.073 40.800 -0.490 0.000 1.282 510 D HN -0.003 nan 8.370 nan 0.000 0.619 511 Q N -0.815 118.706 119.800 -0.464 0.000 3.976 511 Q HA 0.117 4.457 4.340 -0.000 0.000 0.198 511 Q C -0.843 175.027 176.000 -0.216 0.000 0.817 511 Q CA -0.537 55.124 55.803 -0.237 0.000 0.819 511 Q CB -1.324 27.335 28.738 -0.132 0.000 1.556 511 Q HN 0.756 nan 8.270 nan 0.000 0.416 512 W N 1.183 122.503 121.300 0.032 0.000 2.421 512 W HA 0.030 4.690 4.660 -0.000 0.000 0.270 512 W C 2.023 178.562 176.519 0.034 0.000 1.233 512 W CA 1.241 58.606 57.345 0.034 0.000 1.226 512 W CB -0.009 29.473 29.460 0.036 0.000 1.121 512 W HN 0.634 nan 8.180 nan 0.000 0.579 513 G N 0.037 108.975 108.800 0.230 0.000 2.432 513 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 513 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 513 G C 1.469 176.424 174.900 0.092 0.000 1.135 513 G CA 1.360 46.546 45.100 0.143 0.000 0.767 513 G HN 0.201 nan 8.290 nan 0.000 0.550 514 V N -0.098 119.851 119.914 0.060 0.000 2.446 514 V HA 0.012 4.132 4.120 -0.000 0.000 0.244 514 V C 2.672 178.790 176.094 0.039 0.000 1.039 514 V CA 1.686 64.000 62.300 0.023 0.000 1.045 514 V CB 0.249 32.059 31.823 -0.021 0.000 0.681 514 V HN 0.251 nan 8.190 nan 0.000 0.459 515 E N 0.059 120.295 120.200 0.060 0.000 2.153 515 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 515 E C 1.854 178.534 176.600 0.133 0.000 0.988 515 E CA 1.081 57.539 56.400 0.098 0.000 0.811 515 E CB -0.302 29.494 29.700 0.160 0.000 0.746 515 E HN 0.469 nan 8.360 nan 0.000 0.466 516 L N -0.956 120.355 121.223 0.147 0.000 2.131 516 L HA 0.153 4.492 4.340 -0.000 0.000 0.206 516 L C 2.013 178.927 176.870 0.073 0.000 1.087 516 L CA 1.803 56.713 54.840 0.117 0.000 0.767 516 L CB -0.594 41.536 42.059 0.119 0.000 0.917 516 L HN 0.165 nan 8.230 nan 0.000 0.441 517 G N -0.952 107.883 108.800 0.058 0.000 2.509 517 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 517 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 517 G C 1.576 176.495 174.900 0.031 0.000 1.124 517 G CA 0.456 45.578 45.100 0.036 0.000 0.776 517 G HN 0.336 nan 8.290 nan 0.000 0.547 518 K N -0.286 120.137 120.400 0.038 0.000 2.487 518 K HA 0.130 4.450 4.320 -0.000 0.000 0.192 518 K C 2.031 178.652 176.600 0.036 0.000 1.027 518 K CA 0.358 56.663 56.287 0.031 0.000 1.054 518 K CB 0.241 32.761 32.500 0.032 0.000 0.824 518 K HN 0.274 nan 8.250 nan 0.000 0.510 519 Q N -0.940 118.886 119.800 0.043 0.000 2.384 519 Q HA 0.136 4.476 4.340 -0.000 0.000 0.264 519 Q C 1.430 177.453 176.000 0.038 0.000 0.825 519 Q CA 0.013 55.842 55.803 0.043 0.000 0.984 519 Q CB 0.347 29.117 28.738 0.053 0.000 1.183 519 Q HN 0.226 nan 8.270 nan 0.000 0.537 520 L N 1.063 122.308 121.223 0.037 0.000 2.661 520 L HA -0.098 4.242 4.340 -0.000 0.000 0.236 520 L C 1.452 178.340 176.870 0.030 0.000 1.176 520 L CA 1.115 55.975 54.840 0.034 0.000 0.836 520 L CB -0.247 41.829 42.059 0.029 0.000 0.960 520 L HN 0.151 nan 8.230 nan 0.000 0.455 521 A N -2.393 120.443 122.820 0.028 0.000 2.653 521 A HA 0.129 4.449 4.320 -0.000 0.000 0.248 521 A C 1.717 179.316 177.584 0.026 0.000 1.211 521 A CA -0.272 51.777 52.037 0.021 0.000 0.991 521 A CB 0.205 19.213 19.000 0.013 0.000 1.252 521 A HN -0.032 nan 8.150 nan 0.000 0.593 522 K N 1.623 122.042 120.400 0.031 0.000 2.148 522 K HA -0.034 4.286 4.320 -0.000 0.000 0.204 522 K C 1.786 178.409 176.600 0.038 0.000 1.050 522 K CA 1.686 57.991 56.287 0.030 0.000 0.942 522 K CB -0.067 32.451 32.500 0.030 0.000 0.724 522 K HN 0.624 nan 8.250 nan 0.000 0.446 523 K N -0.246 120.184 120.400 0.050 0.000 2.186 523 K HA 0.061 4.381 4.320 -0.000 0.000 0.202 523 K C 1.996 178.646 176.600 0.084 0.000 1.052 523 K CA 0.907 57.233 56.287 0.066 0.000 0.965 523 K CB -0.077 32.469 32.500 0.077 0.000 0.746 523 K HN 0.085 nan 8.250 nan 0.000 0.457 524 I N 1.980 122.594 120.570 0.074 0.000 2.394 524 I HA -0.191 3.978 4.170 -0.000 0.000 0.251 524 I C 2.541 178.684 176.117 0.044 0.000 1.136 524 I CA 1.097 62.433 61.300 0.061 0.000 1.425 524 I CB -0.265 37.738 38.000 0.005 0.000 1.079 524 I HN 0.291 nan 8.210 nan 0.000 0.425 525 E N 1.492 121.712 120.200 0.033 0.000 2.048 525 E HA -0.232 4.118 4.350 -0.000 0.000 0.202 525 E C -0.549 176.067 176.600 0.026 0.000 1.021 525 E CA 2.037 58.452 56.400 0.025 0.000 0.825 525 E CB -0.652 29.060 29.700 0.021 0.000 0.756 525 E HN 0.354 nan 8.360 nan 0.000 0.454 526 P HA -0.129 nan 4.420 nan 0.000 0.221 526 P C 0.489 177.808 177.300 0.030 0.000 1.150 526 P CA 1.286 64.402 63.100 0.026 0.000 0.800 526 P CB -0.010 31.705 31.700 0.025 0.000 0.787 527 E N -0.468 119.759 120.200 0.044 0.000 2.268 527 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 527 E C 1.619 178.243 176.600 0.040 0.000 0.995 527 E CA 0.444 56.875 56.400 0.052 0.000 0.836 527 E CB -0.433 29.322 29.700 0.092 0.000 0.763 527 E HN 0.118 nan 8.360 nan 0.000 0.491 528 L N 1.361 122.603 121.223 0.031 0.000 2.465 528 L HA -0.109 4.231 4.340 -0.000 0.000 0.224 528 L C 1.399 178.278 176.870 0.015 0.000 1.145 528 L CA 1.338 56.191 54.840 0.022 0.000 0.834 528 L CB -0.575 41.494 42.059 0.016 0.000 0.944 528 L HN 0.022 nan 8.230 nan 0.000 0.451 529 D N -0.382 120.028 120.400 0.016 0.000 2.078 529 D HA -0.080 4.560 4.640 -0.000 0.000 0.193 529 D C 1.423 177.728 176.300 0.007 0.000 0.990 529 D CA 1.313 55.319 54.000 0.011 0.000 0.827 529 D CB -0.231 40.575 40.800 0.011 0.000 0.975 529 D HN 0.313 nan 8.370 nan 0.000 0.451 530 G N -0.542 108.264 108.800 0.009 0.000 2.570 530 G HA2 0.232 4.192 3.960 -0.000 0.000 0.276 530 G HA3 0.232 4.192 3.960 -0.000 0.000 0.276 530 G C 0.750 175.652 174.900 0.003 0.000 1.346 530 G CA 0.426 45.529 45.100 0.005 0.000 1.034 530 G HN 0.236 nan 8.290 nan 0.000 0.512 531 S N -1.795 113.905 115.700 0.000 0.000 2.540 531 S HA 0.251 4.721 4.470 -0.000 0.000 0.218 531 S C 1.039 175.639 174.600 0.001 0.000 0.977 531 S CA 0.373 58.571 58.200 -0.003 0.000 0.918 531 S CB 0.096 63.291 63.200 -0.008 0.000 0.806 531 S HN 0.680 nan 8.310 nan 0.000 0.496 532 S N 3.148 118.852 115.700 0.006 0.000 2.565 532 S HA 0.491 4.961 4.470 -0.000 0.000 0.274 532 S C -2.781 171.829 174.600 0.016 0.000 1.309 532 S CA -1.225 56.981 58.200 0.010 0.000 1.043 532 S CB 0.153 63.359 63.200 0.010 0.000 0.939 532 S HN 0.134 nan 8.310 nan 0.000 0.504 533 P HA 0.283 nan 4.420 nan 0.000 0.275 533 P C -1.075 176.247 177.300 0.036 0.000 1.228 533 P CA -0.548 62.569 63.100 0.028 0.000 0.786 533 P CB 0.585 32.301 31.700 0.027 0.000 0.927 534 V N 1.914 121.860 119.914 0.053 0.000 2.612 534 V HA 0.397 4.517 4.120 -0.000 0.000 0.301 534 V C 1.144 177.280 176.094 0.069 0.000 1.046 534 V CA 0.170 62.511 62.300 0.070 0.000 0.946 534 V CB 1.409 33.306 31.823 0.123 0.000 1.003 534 V HN 0.830 nan 8.190 nan 0.000 0.459 535 T N -2.702 111.881 114.554 0.048 0.000 3.130 535 T HA 0.008 4.358 4.350 -0.000 0.000 0.288 535 T C 1.116 175.814 174.700 -0.004 0.000 0.936 535 T CA 0.478 62.598 62.100 0.032 0.000 0.897 535 T CB 0.064 68.940 68.868 0.013 0.000 1.178 535 T HN 0.647 nan 8.240 nan 0.000 0.543 536 S N 0.880 116.541 115.700 -0.064 0.000 2.701 536 S HA 0.201 4.671 4.470 -0.000 0.000 0.220 536 S C 0.425 174.781 174.600 -0.407 0.000 0.954 536 S CA -0.493 57.567 58.200 -0.234 0.000 0.936 536 S CB -0.623 62.386 63.200 -0.318 0.000 0.777 536 S HN 0.674 nan 8.310 nan 0.000 0.518 537 H N 0.946 120.020 119.070 0.007 0.000 3.218 537 H HA 0.330 4.886 4.556 -0.000 0.000 0.303 537 H C -0.611 174.719 175.328 0.004 0.000 1.605 537 H CA -0.600 55.451 56.048 0.006 0.000 1.298 537 H CB 0.130 29.896 29.762 0.007 0.000 1.856 537 H HN 0.406 nan 8.280 nan 0.000 0.656 538 D N 0.036 120.543 120.400 0.178 0.000 2.378 538 D HA -0.059 4.581 4.640 -0.000 0.000 0.238 538 D C 0.929 177.273 176.300 0.073 0.000 1.180 538 D CA 0.251 54.303 54.000 0.085 0.000 0.895 538 D CB 1.057 41.890 40.800 0.055 0.000 1.192 538 D HN 0.529 nan 8.370 nan 0.000 0.438 539 S N 0.480 116.205 115.700 0.042 0.000 2.442 539 S HA -0.204 4.266 4.470 -0.000 0.000 0.236 539 S C 1.928 176.542 174.600 0.022 0.000 1.007 539 S CA 1.033 59.253 58.200 0.032 0.000 0.965 539 S CB -0.187 63.025 63.200 0.019 0.000 0.773 539 S HN 0.554 nan 8.310 nan 0.000 0.504 540 S N 1.485 117.192 115.700 0.012 0.000 2.329 540 S HA -0.091 4.379 4.470 -0.000 0.000 0.215 540 S C 2.037 176.628 174.600 -0.014 0.000 1.031 540 S CA 1.722 59.918 58.200 -0.007 0.000 0.985 540 S CB -1.227 61.964 63.200 -0.016 0.000 0.917 540 S HN 0.619 nan 8.310 nan 0.000 0.441 541 T N 3.061 117.600 114.554 -0.025 0.000 2.737 541 T HA -0.096 4.253 4.350 -0.000 0.000 0.269 541 T C 1.687 176.358 174.700 -0.049 0.000 1.040 541 T CA 1.601 63.652 62.100 -0.082 0.000 1.142 541 T CB -0.540 68.225 68.868 -0.171 0.000 0.861 541 T HN 0.414 nan 8.240 nan 0.000 0.456 542 N N 0.732 119.451 118.700 0.032 0.000 2.171 542 N HA -0.012 4.728 4.740 -0.000 0.000 0.184 542 N C 2.234 177.774 175.510 0.050 0.000 1.021 542 N CA 1.202 54.294 53.050 0.070 0.000 0.854 542 N CB -0.875 37.669 38.487 0.095 0.000 0.994 542 N HN 0.476 nan 8.380 nan 0.000 0.426 543 G N 1.850 110.672 108.800 0.036 0.000 2.440 543 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 543 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 543 G C 1.717 176.653 174.900 0.059 0.000 1.154 543 G CA 0.461 45.584 45.100 0.039 0.000 0.767 543 G HN 0.205 nan 8.290 nan 0.000 0.552 544 L N -0.012 121.231 121.223 0.033 0.000 2.017 544 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 544 L C 2.881 179.805 176.870 0.091 0.000 1.073 544 L CA 0.776 55.647 54.840 0.051 0.000 0.745 544 L CB -0.353 41.707 42.059 0.002 0.000 0.894 544 L HN 0.186 nan 8.230 nan 0.000 0.432 545 I N 0.099 120.698 120.570 0.049 0.000 2.264 545 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 545 I C 2.098 178.255 176.117 0.068 0.000 1.111 545 I CA 1.081 62.409 61.300 0.047 0.000 1.382 545 I CB -0.383 37.637 38.000 0.034 0.000 1.060 545 I HN 0.382 nan 8.210 nan 0.000 0.418 546 N N 0.549 119.299 118.700 0.084 0.000 2.216 546 N HA -0.167 4.573 4.740 -0.000 0.000 0.183 546 N C 1.748 177.316 175.510 0.096 0.000 1.017 546 N CA 1.083 54.179 53.050 0.077 0.000 0.861 546 N CB -0.498 38.032 38.487 0.072 0.000 0.986 546 N HN 0.260 nan 8.380 nan 0.000 0.428 547 F N 1.915 121.865 119.950 -0.000 0.000 2.134 547 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 547 F C 2.056 177.855 175.800 -0.002 0.000 1.097 547 F CA 0.924 58.923 58.000 -0.001 0.000 1.264 547 F CB -0.294 38.704 39.000 -0.004 0.000 1.001 547 F HN -0.098 nan 8.300 nan 0.000 0.479 548 I N 0.308 120.920 120.570 0.070 0.000 2.127 548 I HA -0.359 3.811 4.170 -0.000 0.000 0.241 548 I C 2.425 178.486 176.117 -0.093 0.000 1.075 548 I CA 1.711 62.997 61.300 -0.023 0.000 1.334 548 I CB -0.480 37.546 38.000 0.043 0.000 1.040 548 I HN 0.076 nan 8.210 nan 0.000 0.405 549 K N 0.207 120.578 120.400 -0.049 0.000 2.026 549 K HA -0.253 4.067 4.320 -0.000 0.000 0.208 549 K C 2.156 178.706 176.600 -0.084 0.000 1.048 549 K CA 1.509 57.766 56.287 -0.049 0.000 0.929 549 K CB -0.390 32.099 32.500 -0.018 0.000 0.713 549 K HN 0.390 nan 8.250 nan 0.000 0.439 550 Q N 1.169 120.906 119.800 -0.105 0.000 2.135 550 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 550 Q C 1.558 177.452 176.000 -0.177 0.000 0.981 550 Q CA 1.582 57.313 55.803 -0.120 0.000 0.856 550 Q CB 0.101 28.773 28.738 -0.110 0.000 0.902 550 Q HN 0.213 nan 8.270 nan 0.000 0.425 551 E N 1.058 121.083 120.200 -0.291 0.000 2.072 551 E HA -0.152 4.197 4.350 -0.000 0.000 0.190 551 E C 2.099 178.595 176.600 -0.173 0.000 0.982 551 E CA 1.462 57.672 56.400 -0.317 0.000 0.803 551 E CB -0.312 29.055 29.700 -0.553 0.000 0.755 551 E HN 0.622 nan 8.360 nan 0.000 0.453 552 R N 1.342 121.764 120.500 -0.131 0.000 2.226 552 R HA -0.141 4.199 4.340 -0.000 0.000 0.246 552 R C 1.488 177.752 176.300 -0.060 0.000 1.161 552 R CA 1.559 57.613 56.100 -0.076 0.000 0.997 552 R CB -0.373 29.896 30.300 -0.051 0.000 0.870 552 R HN 0.117 nan 8.270 nan 0.000 0.465 553 E N 1.279 121.439 120.200 -0.067 0.000 2.250 553 E HA 0.121 4.471 4.350 -0.000 0.000 0.192 553 E C 1.142 177.713 176.600 -0.048 0.000 0.986 553 E CA 0.553 56.924 56.400 -0.049 0.000 0.849 553 E CB -0.144 29.529 29.700 -0.043 0.000 0.797 553 E HN 0.446 nan 8.360 nan 0.000 0.482 554 A N 0.000 122.780 122.820 -0.066 0.000 2.254 554 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 554 A CA 0.000 52.003 52.037 -0.057 0.000 0.836 554 A CB 0.000 18.953 19.000 -0.078 0.000 0.831 554 A HN 0.000 nan 8.150 nan 0.000 0.486