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 2f7f_1_A DATA FIRST_RESID 4 DATA SEQUENCE TYADDSLTLH TDMYQINMMQ TYWELGRADL HAVFECYFRE MPFNHGYAIF DATA SEQUENCE AGLERLVNYL ENLTFTESDI AYLREVEEYP EDFLTYLANF EFKCTVRSAL DATA SEQUENCE EGDLVFNNEP LIQIEGPLAQ CQLVETALLN MVNFQTLIAT KAARIKSVIG DATA SEQUENCE DDPLLEFGTR RAQELDAAIW GTRAAYIGGA DATSNVRAGK IFGIPVSGTH DATA SEQUENCE AHSLVQSYGN DYEAFMAYAK THRDCVFLVD TYDTLKAGVP SAIRVAREMG DATA SEQUENCE DKINFLGVRI DSGDMAYISK RVREQLDEAG FTEAKIYASN DLDENTILNL DATA SEQUENCE KMQKSKIDVW GVGTKLITAY DQPALGAVFK LVSIEGEDGQ MKDTIKLSSN DATA SEQUENCE AEKVTTPGKK QVWRITRKSD KKSEGDYVTL WNEDPRQEEE IYMFHPVHTF DATA SEQUENCE INKYVRDFEA RPVLQDIFVE GKRVYELPTL DEIKQYAKEN LDSLHEEYKR DATA SEQUENCE DLNPQKYPVD LSTDCWNHKM NLLEKVRKDV KH 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.720 174.700 0.034 0.000 1.109 4 T CA 0.000 61.885 62.100 -0.359 0.000 1.349 4 T CB 0.000 68.750 68.868 -0.197 0.000 0.612 5 Y N 1.686 121.993 120.300 0.011 0.000 2.631 5 Y HA 0.767 5.317 4.550 0.001 0.000 0.328 5 Y C 0.945 176.841 175.900 -0.007 0.000 1.118 5 Y CA -1.228 56.885 58.100 0.022 0.000 1.206 5 Y CB 1.356 39.847 38.460 0.052 0.000 1.337 5 Y HN 0.722 nan 8.280 nan 0.000 0.515 6 A N 0.896 123.811 122.820 0.158 0.000 2.520 6 A HA 0.029 4.350 4.320 0.001 0.000 0.245 6 A C -0.272 177.344 177.584 0.053 0.000 1.072 6 A CA -0.155 51.927 52.037 0.075 0.000 0.761 6 A CB -0.347 18.688 19.000 0.059 0.000 1.004 6 A HN 0.690 nan 8.150 nan 0.000 0.499 7 D N 1.959 122.374 120.400 0.026 0.000 2.608 7 D HA 0.186 4.827 4.640 0.001 0.000 0.224 7 D C 0.049 176.351 176.300 0.004 0.000 1.123 7 D CA 0.084 54.088 54.000 0.007 0.000 1.030 7 D CB 0.085 40.886 40.800 0.002 0.000 1.093 7 D HN 0.519 nan 8.370 nan 0.000 0.497 8 D N -0.555 119.846 120.400 0.001 0.000 2.440 8 D HA 0.150 4.791 4.640 0.001 0.000 0.216 8 D C -0.215 176.072 176.300 -0.021 0.000 1.150 8 D CA -0.545 53.453 54.000 -0.003 0.000 0.832 8 D CB 0.292 41.096 40.800 0.006 0.000 0.992 8 D HN 0.027 nan 8.370 nan 0.000 0.502 9 S N -0.420 115.260 115.700 -0.033 0.000 2.548 9 S HA 0.337 4.808 4.470 0.001 0.000 0.278 9 S C -0.445 174.118 174.600 -0.060 0.000 1.150 9 S CA -0.747 57.414 58.200 -0.066 0.000 0.907 9 S CB 0.659 63.800 63.200 -0.099 0.000 1.108 9 S HN 0.125 nan 8.310 nan 0.000 0.459 10 L N 3.206 124.395 121.223 -0.057 0.000 2.607 10 L HA 0.158 4.499 4.340 0.001 0.000 0.228 10 L C 1.822 178.692 176.870 0.001 0.000 1.123 10 L CA 0.183 55.027 54.840 0.006 0.000 0.890 10 L CB -0.259 41.846 42.059 0.077 0.000 1.103 10 L HN 0.652 nan 8.230 nan 0.000 0.468 11 T N 0.484 114.914 114.554 -0.207 0.000 2.867 11 T HA -0.059 4.292 4.350 0.001 0.000 0.268 11 T C 1.677 176.134 174.700 -0.406 0.000 1.057 11 T CA 1.063 62.889 62.100 -0.455 0.000 1.136 11 T CB -0.022 68.311 68.868 -0.891 0.000 0.874 11 T HN 0.251 nan 8.240 nan 0.000 0.466 12 L N 0.355 121.419 121.223 -0.264 0.000 2.611 12 L HA 0.214 4.555 4.340 0.001 0.000 0.229 12 L C 0.791 177.613 176.870 -0.080 0.000 1.137 12 L CA -0.037 54.714 54.840 -0.150 0.000 0.901 12 L CB -0.485 41.507 42.059 -0.112 0.000 1.098 12 L HN 0.257 nan 8.230 nan 0.000 0.456 13 H N 0.826 119.822 119.070 -0.124 0.000 3.392 13 H HA 0.146 4.702 4.556 0.001 0.000 0.253 13 H C -0.020 175.241 175.328 -0.113 0.000 1.682 13 H CA 0.400 56.378 56.048 -0.117 0.000 1.535 13 H CB 0.041 29.724 29.762 -0.132 0.000 1.823 13 H HN 0.029 nan 8.280 nan 0.000 0.576 14 T N 2.269 116.758 114.554 -0.108 0.000 2.769 14 T HA 0.107 4.458 4.350 0.001 0.000 0.306 14 T C -1.347 173.318 174.700 -0.059 0.000 1.400 14 T CA -1.084 60.987 62.100 -0.048 0.000 1.007 14 T CB 1.007 69.872 68.868 -0.005 0.000 1.392 14 T HN 0.368 nan 8.240 nan 0.000 0.500 15 D N 2.440 122.844 120.400 0.006 0.000 2.304 15 D HA 0.159 4.800 4.640 0.001 0.000 0.250 15 D C 1.250 177.617 176.300 0.112 0.000 1.107 15 D CA -0.310 53.690 54.000 0.000 0.000 0.885 15 D CB 1.282 42.034 40.800 -0.079 0.000 1.192 15 D HN 0.551 nan 8.370 nan 0.000 0.436 16 M N 2.706 122.351 119.600 0.075 0.000 2.202 16 M HA -0.215 4.266 4.480 0.001 0.000 0.262 16 M C 1.891 178.340 176.300 0.247 0.000 1.063 16 M CA 1.486 56.876 55.300 0.151 0.000 1.097 16 M CB -0.132 32.546 32.600 0.129 0.000 1.382 16 M HN 0.614 nan 8.290 nan 0.000 0.413 17 Y N -0.535 119.788 120.300 0.038 0.000 2.403 17 Y HA -0.202 4.349 4.550 0.001 0.000 0.291 17 Y C 1.886 177.800 175.900 0.025 0.000 1.143 17 Y CA 0.076 58.194 58.100 0.030 0.000 1.257 17 Y CB -0.655 37.818 38.460 0.022 0.000 0.984 17 Y HN 0.293 nan 8.280 nan 0.000 0.550 18 Q N 1.286 121.270 119.800 0.307 0.000 2.084 18 Q HA -0.137 4.203 4.340 0.001 0.000 0.202 18 Q C 2.372 178.422 176.000 0.083 0.000 0.978 18 Q CA 1.337 57.192 55.803 0.087 0.000 0.844 18 Q CB -0.161 28.644 28.738 0.112 0.000 0.898 18 Q HN 0.594 nan 8.270 nan 0.000 0.426 19 I N 1.081 121.731 120.570 0.133 0.000 2.353 19 I HA -0.187 3.984 4.170 0.001 0.000 0.248 19 I C 1.648 177.840 176.117 0.124 0.000 1.119 19 I CA 0.951 62.337 61.300 0.143 0.000 1.417 19 I CB -1.135 36.924 38.000 0.098 0.000 1.078 19 I HN 0.261 nan 8.210 nan 0.000 0.421 20 N N 0.635 119.411 118.700 0.126 0.000 2.188 20 N HA -0.101 4.640 4.740 0.001 0.000 0.184 20 N C 1.980 177.414 175.510 -0.127 0.000 1.018 20 N CA 0.981 54.064 53.050 0.054 0.000 0.858 20 N CB -0.049 38.487 38.487 0.082 0.000 0.989 20 N HN 0.269 nan 8.380 nan 0.000 0.426 21 M N 0.028 119.510 119.600 -0.198 0.000 2.132 21 M HA -0.090 4.390 4.480 0.001 0.000 0.263 21 M C 2.061 177.959 176.300 -0.670 0.000 1.065 21 M CA 1.351 56.346 55.300 -0.509 0.000 1.122 21 M CB -0.195 32.100 32.600 -0.509 0.000 1.365 21 M HN 0.192 nan 8.290 nan 0.000 0.411 22 M N -0.255 119.232 119.600 -0.188 0.000 2.108 22 M HA -0.289 4.192 4.480 0.001 0.000 0.261 22 M C 2.322 178.673 176.300 0.086 0.000 1.066 22 M CA 1.871 57.260 55.300 0.148 0.000 1.107 22 M CB -0.577 32.254 32.600 0.385 0.000 1.356 22 M HN 0.340 nan 8.290 nan 0.000 0.406 23 Q N -0.177 119.450 119.800 -0.289 0.000 2.061 23 Q HA -0.184 4.157 4.340 0.001 0.000 0.204 23 Q C 1.737 177.575 176.000 -0.270 0.000 0.984 23 Q CA 2.272 57.619 55.803 -0.759 0.000 0.846 23 Q CB -0.056 28.079 28.738 -1.005 0.000 0.902 23 Q HN 0.442 nan 8.270 nan 0.000 0.421 24 T N 0.260 114.661 114.554 -0.255 0.000 2.720 24 T HA -0.165 4.185 4.350 0.001 0.000 0.268 24 T C 1.326 176.006 174.700 -0.033 0.000 1.037 24 T CA 1.483 63.478 62.100 -0.174 0.000 1.144 24 T CB -0.352 68.375 68.868 -0.234 0.000 0.864 24 T HN 0.361 nan 8.240 nan 0.000 0.444 25 Y N -0.651 119.665 120.300 0.027 0.000 2.163 25 Y HA -0.004 4.547 4.550 0.001 0.000 0.288 25 Y C 2.187 178.105 175.900 0.031 0.000 1.136 25 Y CA -0.268 57.858 58.100 0.044 0.000 1.147 25 Y CB -1.162 37.357 38.460 0.099 0.000 0.987 25 Y HN 0.325 nan 8.280 nan 0.000 0.509 26 W N 1.755 123.066 121.300 0.017 0.000 2.355 26 W HA -0.137 4.523 4.660 0.001 0.000 0.309 26 W C 2.005 178.460 176.519 -0.106 0.000 1.206 26 W CA 1.978 59.242 57.345 -0.135 0.000 1.284 26 W CB -0.092 29.186 29.460 -0.302 0.000 1.145 26 W HN -0.015 nan 8.180 nan 0.000 0.502 27 E N 0.183 120.332 120.200 -0.086 0.000 2.209 27 E HA -0.171 4.180 4.350 0.001 0.000 0.196 27 E C 1.816 178.248 176.600 -0.280 0.000 0.993 27 E CA 1.322 57.560 56.400 -0.270 0.000 0.819 27 E CB -0.629 29.027 29.700 -0.073 0.000 0.745 27 E HN 0.426 nan 8.360 nan 0.000 0.477 28 L N -0.237 120.886 121.223 -0.166 0.000 2.700 28 L HA 0.249 4.590 4.340 0.001 0.000 0.234 28 L C 0.937 177.733 176.870 -0.125 0.000 1.156 28 L CA 0.069 54.839 54.840 -0.116 0.000 0.946 28 L CB 0.202 42.240 42.059 -0.036 0.000 1.216 28 L HN 0.109 nan 8.230 nan 0.000 0.493 29 G N 1.305 109.979 108.800 -0.210 0.000 2.221 29 G HA2 -0.320 3.641 3.960 0.001 0.000 0.265 29 G HA3 -0.320 3.641 3.960 0.001 0.000 0.265 29 G C 0.728 175.579 174.900 -0.081 0.000 1.041 29 G CA 0.288 45.276 45.100 -0.186 0.000 0.807 29 G HN 0.502 nan 8.290 nan 0.000 0.502 30 R N -0.757 119.728 120.500 -0.024 0.000 2.535 30 R HA 0.488 4.828 4.340 0.001 0.000 0.323 30 R C 2.483 178.797 176.300 0.022 0.000 0.979 30 R CA 0.563 56.664 56.100 0.002 0.000 1.120 30 R CB 0.244 30.555 30.300 0.017 0.000 1.306 30 R HN 0.404 nan 8.270 nan 0.000 0.540 31 A N 1.040 123.924 122.820 0.107 0.000 2.019 31 A HA -0.135 4.185 4.320 0.001 0.000 0.219 31 A C 0.936 178.606 177.584 0.144 0.000 1.164 31 A CA 1.378 53.538 52.037 0.204 0.000 0.644 31 A CB 0.045 19.222 19.000 0.296 0.000 0.805 31 A HN 0.090 nan 8.150 nan 0.000 0.449 32 D N -0.702 119.755 120.400 0.095 0.000 2.463 32 D HA 0.265 4.905 4.640 0.001 0.000 0.224 32 D C -0.129 176.201 176.300 0.049 0.000 1.174 32 D CA -0.351 53.698 54.000 0.082 0.000 0.829 32 D CB 0.082 40.932 40.800 0.084 0.000 0.993 32 D HN 0.200 nan 8.370 nan 0.000 0.497 33 L N 0.950 122.180 121.223 0.012 0.000 2.482 33 L HA 0.058 4.399 4.340 0.001 0.000 0.273 33 L C 0.235 177.135 176.870 0.051 0.000 1.228 33 L CA 0.244 55.087 54.840 0.004 0.000 0.827 33 L CB 0.396 42.416 42.059 -0.064 0.000 1.099 33 L HN 0.064 nan 8.230 nan 0.000 0.494 34 H N 2.004 121.050 119.070 -0.041 0.000 2.562 34 H HA 0.675 5.232 4.556 0.001 0.000 0.314 34 H C -0.705 174.607 175.328 -0.027 0.000 1.079 34 H CA 0.084 56.112 56.048 -0.033 0.000 1.349 34 H CB 0.879 30.613 29.762 -0.047 0.000 1.432 34 H HN 0.697 nan 8.280 nan 0.000 0.479 35 A N 4.231 126.837 122.820 -0.357 0.000 2.454 35 A HA 0.666 4.986 4.320 0.001 0.000 0.302 35 A C -1.375 176.072 177.584 -0.228 0.000 1.079 35 A CA -0.686 51.228 52.037 -0.204 0.000 0.731 35 A CB 1.467 20.485 19.000 0.030 0.000 1.299 35 A HN 0.517 nan 8.150 nan 0.000 0.413 36 V N 1.278 121.100 119.914 -0.154 0.000 2.487 36 V HA 0.591 4.712 4.120 0.001 0.000 0.298 36 V C -1.148 174.938 176.094 -0.014 0.000 1.028 36 V CA -0.217 62.063 62.300 -0.034 0.000 0.860 36 V CB 1.077 32.867 31.823 -0.055 0.000 0.991 36 V HN 0.741 nan 8.190 nan 0.000 0.427 37 F N 2.074 122.086 119.950 0.103 0.000 2.532 37 F HA 0.632 5.159 4.527 0.001 0.000 0.321 37 F C 0.368 176.353 175.800 0.308 0.000 1.089 37 F CA -0.489 57.651 58.000 0.234 0.000 0.926 37 F CB 2.203 41.380 39.000 0.294 0.000 1.168 37 F HN 0.420 nan 8.300 nan 0.000 0.459 38 E N 1.214 121.669 120.200 0.425 0.000 2.288 38 E HA 0.414 4.764 4.350 0.001 0.000 0.268 38 E C -1.658 174.875 176.600 -0.110 0.000 0.885 38 E CA -0.865 55.633 56.400 0.164 0.000 0.767 38 E CB 2.611 32.360 29.700 0.082 0.000 1.220 38 E HN 0.596 nan 8.360 nan 0.000 0.427 39 C N 4.024 123.046 119.300 -0.463 0.000 2.303 39 C HA 0.774 5.235 4.460 0.001 0.000 0.326 39 C C -1.321 173.597 174.990 -0.121 0.000 1.285 39 C CA -0.330 58.287 59.018 -0.669 0.000 1.675 39 C CB -1.131 25.968 27.740 -1.068 0.000 2.289 39 C HN 0.760 nan 8.230 nan 0.000 0.512 40 Y N 3.889 124.080 120.300 -0.182 0.000 2.609 40 Y HA 0.771 5.322 4.550 0.001 0.000 0.336 40 Y C -1.157 174.742 175.900 -0.002 0.000 1.129 40 Y CA -1.580 56.441 58.100 -0.132 0.000 1.040 40 Y CB 0.613 38.968 38.460 -0.176 0.000 1.310 40 Y HN 0.695 nan 8.280 nan 0.000 0.460 41 F N 0.102 120.052 119.950 0.001 0.000 2.541 41 F HA 0.781 5.309 4.527 0.001 0.000 0.331 41 F C 0.392 176.245 175.800 0.088 0.000 1.057 41 F CA -1.366 56.589 58.000 -0.076 0.000 0.975 41 F CB 1.929 40.890 39.000 -0.065 0.000 1.246 41 F HN 0.589 nan 8.300 nan 0.000 0.484 42 R N -0.215 120.444 120.500 0.265 0.000 2.195 42 R HA 0.257 4.597 4.340 0.001 0.000 0.197 42 R C -0.498 175.930 176.300 0.215 0.000 0.990 42 R CA 0.317 56.541 56.100 0.206 0.000 1.048 42 R CB 0.293 30.682 30.300 0.149 0.000 0.997 42 R HN 0.737 nan 8.270 nan 0.000 0.502 43 E N 0.638 121.014 120.200 0.294 0.000 2.266 43 E HA 0.288 4.639 4.350 0.001 0.000 0.268 43 E C -0.751 176.024 176.600 0.292 0.000 0.879 43 E CA -0.800 55.734 56.400 0.225 0.000 0.762 43 E CB 1.905 31.668 29.700 0.104 0.000 1.199 43 E HN -0.177 nan 8.360 nan 0.000 0.422 44 M N 3.663 123.406 119.600 0.239 0.000 2.268 44 M HA 0.154 4.634 4.480 0.001 0.000 0.349 44 M C -2.211 174.048 176.300 -0.068 0.000 1.485 44 M CA -2.532 52.881 55.300 0.189 0.000 1.094 44 M CB -0.670 32.049 32.600 0.198 0.000 1.843 44 M HN 0.175 nan 8.290 nan 0.000 0.460 45 P HA 0.051 nan 4.420 nan 0.000 0.268 45 P C -0.303 176.657 177.300 -0.566 0.000 1.204 45 P CA 0.019 62.696 63.100 -0.704 0.000 0.768 45 P CB 0.185 31.251 31.700 -1.055 0.000 0.842 46 F N 0.042 119.960 119.950 -0.053 0.000 2.973 46 F HA -0.268 4.260 4.527 0.001 0.000 0.299 46 F C 1.056 176.869 175.800 0.022 0.000 0.737 46 F CA 0.930 58.912 58.000 -0.029 0.000 1.151 46 F CB -3.259 35.693 39.000 -0.081 0.000 1.440 46 F HN 0.368 nan 8.300 nan 0.000 0.367 47 N N -0.663 118.108 118.700 0.118 0.000 2.693 47 N HA -0.287 4.453 4.740 0.001 0.000 0.249 47 N C 0.116 175.719 175.510 0.155 0.000 1.119 47 N CA 1.347 54.471 53.050 0.123 0.000 0.717 47 N CB -1.066 37.486 38.487 0.109 0.000 1.071 47 N HN 0.764 nan 8.380 nan 0.000 0.555 48 H N -1.369 117.727 119.070 0.044 0.000 2.757 48 H HA 0.432 4.988 4.556 0.001 0.000 0.370 48 H C 1.699 177.011 175.328 -0.027 0.000 1.172 48 H CA 1.201 57.224 56.048 -0.042 0.000 1.426 48 H CB 0.513 30.191 29.762 -0.140 0.000 1.438 48 H HN 0.194 nan 8.280 nan 0.000 0.612 49 G N 1.783 110.284 108.800 -0.498 0.000 2.484 49 G HA2 -0.008 3.953 3.960 0.001 0.000 0.218 49 G HA3 -0.008 3.953 3.960 0.001 0.000 0.218 49 G C -0.662 174.363 174.900 0.209 0.000 1.130 49 G CA 1.195 46.264 45.100 -0.052 0.000 0.784 49 G HN 0.648 nan 8.290 nan 0.000 0.543 50 Y N -3.041 117.292 120.300 0.055 0.000 2.609 50 Y HA 0.770 5.320 4.550 0.001 0.000 0.336 50 Y C -0.397 175.478 175.900 -0.042 0.000 1.129 50 Y CA -1.957 56.085 58.100 -0.097 0.000 1.040 50 Y CB 0.799 39.186 38.460 -0.121 0.000 1.310 50 Y HN 0.138 nan 8.280 nan 0.000 0.460 51 A N 2.234 124.971 122.820 -0.139 0.000 2.354 51 A HA 0.854 5.175 4.320 0.001 0.000 0.321 51 A C -1.408 176.203 177.584 0.045 0.000 1.125 51 A CA -0.902 51.122 52.037 -0.022 0.000 0.799 51 A CB 1.043 20.023 19.000 -0.033 0.000 1.293 51 A HN 0.614 nan 8.150 nan 0.000 0.452 52 I N 1.436 122.052 120.570 0.076 0.000 2.362 52 I HA 0.240 4.410 4.170 0.001 0.000 0.289 52 I C -0.625 175.546 176.117 0.090 0.000 0.994 52 I CA -0.292 61.057 61.300 0.082 0.000 1.158 52 I CB 0.884 38.928 38.000 0.072 0.000 1.315 52 I HN 0.666 nan 8.210 nan 0.000 0.451 53 F N 6.128 126.070 119.950 -0.013 0.000 2.495 53 F HA 0.513 5.040 4.527 0.001 0.000 0.365 53 F C 0.280 176.088 175.800 0.012 0.000 1.090 53 F CA -0.085 57.919 58.000 0.006 0.000 1.235 53 F CB 0.683 39.697 39.000 0.024 0.000 1.119 53 F HN 0.584 nan 8.300 nan 0.000 0.562 54 A N 3.405 125.830 122.820 -0.659 0.000 2.587 54 A HA 0.684 5.005 4.320 0.001 0.000 0.293 54 A C 0.239 177.405 177.584 -0.697 0.000 1.087 54 A CA -0.136 51.596 52.037 -0.508 0.000 0.692 54 A CB 1.298 20.160 19.000 -0.230 0.000 1.291 54 A HN 1.645 nan 8.150 nan 0.000 0.407 55 G N -0.670 107.897 108.800 -0.389 0.000 2.260 55 G HA2 -0.032 3.929 3.960 0.001 0.000 0.179 55 G HA3 -0.032 3.929 3.960 0.001 0.000 0.179 55 G C 0.779 175.594 174.900 -0.141 0.000 1.002 55 G CA 0.553 45.473 45.100 -0.299 0.000 0.677 55 G HN 1.486 nan 8.290 nan 0.000 0.486 56 L N 1.586 122.795 121.223 -0.024 0.000 2.017 56 L HA 0.257 4.598 4.340 0.001 0.000 0.208 56 L C 2.425 179.393 176.870 0.163 0.000 1.073 56 L CA 3.157 58.093 54.840 0.160 0.000 0.745 56 L CB -0.520 41.697 42.059 0.264 0.000 0.894 56 L HN 0.478 nan 8.230 nan 0.000 0.432 57 E N -0.831 119.471 120.200 0.170 0.000 2.051 57 E HA -0.323 4.028 4.350 0.001 0.000 0.192 57 E C 2.346 179.044 176.600 0.164 0.000 0.991 57 E CA 1.145 57.675 56.400 0.216 0.000 0.799 57 E CB -0.090 29.774 29.700 0.275 0.000 0.748 57 E HN 0.310 nan 8.360 nan 0.000 0.449 58 R N 0.902 121.398 120.500 -0.006 0.000 2.094 58 R HA -0.199 4.141 4.340 0.001 0.000 0.239 58 R C 2.577 178.810 176.300 -0.111 0.000 1.137 58 R CA 2.015 57.931 56.100 -0.307 0.000 0.943 58 R CB -0.944 28.859 30.300 -0.828 0.000 0.850 58 R HN 0.360 nan 8.270 nan 0.000 0.433 59 L N -1.007 120.194 121.223 -0.038 0.000 2.046 59 L HA -0.028 4.312 4.340 0.001 0.000 0.208 59 L C 2.050 179.036 176.870 0.193 0.000 1.077 59 L CA 1.668 56.552 54.840 0.073 0.000 0.747 59 L CB -1.041 41.080 42.059 0.104 0.000 0.896 59 L HN 0.007 nan 8.230 nan 0.000 0.432 60 V N 1.141 121.204 119.914 0.249 0.000 2.287 60 V HA -0.284 3.837 4.120 0.001 0.000 0.248 60 V C 2.601 178.867 176.094 0.288 0.000 1.053 60 V CA 2.167 64.698 62.300 0.386 0.000 1.027 60 V CB -1.019 31.002 31.823 0.330 0.000 0.646 60 V HN 0.572 nan 8.190 nan 0.000 0.447 61 N N -0.618 118.202 118.700 0.200 0.000 2.120 61 N HA -0.205 4.536 4.740 0.001 0.000 0.188 61 N C 1.741 177.309 175.510 0.096 0.000 1.024 61 N CA 1.886 55.029 53.050 0.155 0.000 0.852 61 N CB -0.599 37.989 38.487 0.168 0.000 1.003 61 N HN 0.688 nan 8.380 nan 0.000 0.424 62 Y N 1.530 121.796 120.300 -0.056 0.000 2.128 62 Y HA -0.090 4.461 4.550 0.001 0.000 0.284 62 Y C 2.092 177.875 175.900 -0.195 0.000 1.154 62 Y CA 1.436 59.450 58.100 -0.142 0.000 1.149 62 Y CB -0.517 37.825 38.460 -0.195 0.000 0.976 62 Y HN -0.016 nan 8.280 nan 0.000 0.505 63 L N 0.087 121.076 121.223 -0.390 0.000 2.156 63 L HA -0.140 4.200 4.340 0.001 0.000 0.208 63 L C 2.320 178.919 176.870 -0.452 0.000 1.095 63 L CA 1.391 55.775 54.840 -0.761 0.000 0.770 63 L CB -0.500 41.002 42.059 -0.929 0.000 0.914 63 L HN 0.294 nan 8.230 nan 0.000 0.439 64 E N 0.253 120.393 120.200 -0.100 0.000 2.268 64 E HA -0.157 4.193 4.350 0.001 0.000 0.195 64 E C 0.809 177.391 176.600 -0.029 0.000 0.995 64 E CA 0.912 57.343 56.400 0.052 0.000 0.836 64 E CB -0.107 29.698 29.700 0.175 0.000 0.763 64 E HN 0.587 nan 8.360 nan 0.000 0.491 65 N N 0.427 119.057 118.700 -0.116 0.000 2.251 65 N HA 0.060 4.800 4.740 0.001 0.000 0.217 65 N C -0.393 174.985 175.510 -0.220 0.000 1.124 65 N CA -0.180 52.797 53.050 -0.122 0.000 0.843 65 N CB 0.465 38.901 38.487 -0.085 0.000 1.024 65 N HN -0.055 nan 8.380 nan 0.000 0.501 66 L N 2.071 123.107 121.223 -0.311 0.000 2.382 66 L HA 0.192 4.532 4.340 0.001 0.000 0.259 66 L C -0.049 176.742 176.870 -0.132 0.000 1.291 66 L CA 0.220 54.827 54.840 -0.388 0.000 1.176 66 L CB -1.117 40.619 42.059 -0.538 0.000 1.373 66 L HN 0.097 nan 8.230 nan 0.000 0.426 67 T N -1.027 113.427 114.554 -0.168 0.000 2.906 67 T HA 0.510 4.861 4.350 0.001 0.000 0.295 67 T C -0.269 174.325 174.700 -0.177 0.000 1.061 67 T CA -0.622 61.460 62.100 -0.029 0.000 1.000 67 T CB 0.837 69.721 68.868 0.026 0.000 1.103 67 T HN 0.058 nan 8.240 nan 0.000 0.486 68 F N 2.878 122.730 119.950 -0.163 0.000 2.444 68 F HA 0.362 4.889 4.527 0.001 0.000 0.360 68 F C 1.876 177.604 175.800 -0.119 0.000 1.106 68 F CA -0.537 57.352 58.000 -0.186 0.000 1.170 68 F CB 0.793 39.639 39.000 -0.257 0.000 1.113 68 F HN 0.850 nan 8.300 nan 0.000 0.521 69 T N -0.997 113.566 114.554 0.016 0.000 2.726 69 T HA 0.050 4.400 4.350 0.001 0.000 0.294 69 T C 1.260 175.982 174.700 0.036 0.000 1.013 69 T CA -0.504 61.606 62.100 0.017 0.000 0.996 69 T CB 0.922 69.786 68.868 -0.005 0.000 1.016 69 T HN 0.767 nan 8.240 nan 0.000 0.529 70 E N 0.182 120.401 120.200 0.032 0.000 2.085 70 E HA -0.193 4.158 4.350 0.001 0.000 0.194 70 E C 2.256 178.891 176.600 0.059 0.000 0.994 70 E CA 1.600 58.024 56.400 0.039 0.000 0.801 70 E CB -0.282 29.442 29.700 0.040 0.000 0.743 70 E HN 0.813 nan 8.360 nan 0.000 0.453 71 S N 0.330 116.074 115.700 0.074 0.000 2.406 71 S HA -0.142 4.329 4.470 0.001 0.000 0.228 71 S C 1.541 176.162 174.600 0.034 0.000 1.020 71 S CA 1.067 59.339 58.200 0.119 0.000 0.965 71 S CB -0.199 63.093 63.200 0.154 0.000 0.798 71 S HN 0.198 nan 8.310 nan 0.000 0.488 72 D N 2.125 122.538 120.400 0.022 0.000 2.106 72 D HA -0.079 4.562 4.640 0.001 0.000 0.191 72 D C 1.966 178.292 176.300 0.044 0.000 0.997 72 D CA 1.238 55.254 54.000 0.027 0.000 0.834 72 D CB -0.298 40.532 40.800 0.050 0.000 0.956 72 D HN 0.344 nan 8.370 nan 0.000 0.448 73 I N 0.904 121.490 120.570 0.026 0.000 2.353 73 I HA -0.129 4.041 4.170 0.001 0.000 0.248 73 I C 2.461 178.556 176.117 -0.037 0.000 1.119 73 I CA 0.555 61.837 61.300 -0.029 0.000 1.417 73 I CB -1.301 36.667 38.000 -0.053 0.000 1.078 73 I HN -0.121 nan 8.210 nan 0.000 0.421 74 A N 0.448 123.260 122.820 -0.013 0.000 1.908 74 A HA -0.294 4.027 4.320 0.001 0.000 0.218 74 A C 2.380 179.866 177.584 -0.164 0.000 1.181 74 A CA 1.663 53.704 52.037 0.008 0.000 0.627 74 A CB -1.201 17.898 19.000 0.165 0.000 0.818 74 A HN 0.468 nan 8.150 nan 0.000 0.445 75 Y N 0.675 120.625 120.300 -0.582 0.000 2.097 75 Y HA -0.211 4.340 4.550 0.001 0.000 0.282 75 Y C 1.958 177.713 175.900 -0.242 0.000 1.152 75 Y CA 2.055 59.698 58.100 -0.762 0.000 1.136 75 Y CB -0.390 37.628 38.460 -0.736 0.000 0.975 75 Y HN 0.216 nan 8.280 nan 0.000 0.498 76 L N 0.011 121.123 121.223 -0.184 0.000 2.131 76 L HA -0.194 4.147 4.340 0.001 0.000 0.210 76 L C 2.774 179.640 176.870 -0.006 0.000 1.092 76 L CA 1.696 56.496 54.840 -0.067 0.000 0.759 76 L CB -0.586 41.469 42.059 -0.007 0.000 0.903 76 L HN 0.218 nan 8.230 nan 0.000 0.435 77 R N 0.650 121.121 120.500 -0.048 0.000 2.057 77 R HA -0.137 4.203 4.340 0.001 0.000 0.229 77 R C 2.072 178.345 176.300 -0.046 0.000 1.136 77 R CA 1.572 57.665 56.100 -0.012 0.000 0.952 77 R CB -0.020 30.280 30.300 -0.001 0.000 0.848 77 R HN 0.358 nan 8.270 nan 0.000 0.430 78 E N -0.364 119.799 120.200 -0.060 0.000 2.076 78 E HA -0.077 4.274 4.350 0.001 0.000 0.190 78 E C 1.979 178.541 176.600 -0.063 0.000 0.979 78 E CA 1.131 57.527 56.400 -0.006 0.000 0.807 78 E CB 0.289 30.064 29.700 0.125 0.000 0.761 78 E HN 0.150 nan 8.360 nan 0.000 0.454 79 V N 1.312 121.098 119.914 -0.213 0.000 2.374 79 V HA -0.093 4.027 4.120 0.001 0.000 0.241 79 V C 1.802 177.728 176.094 -0.280 0.000 1.034 79 V CA 1.234 63.376 62.300 -0.262 0.000 1.037 79 V CB -0.117 31.451 31.823 -0.424 0.000 0.682 79 V HN 0.120 nan 8.190 nan 0.000 0.463 80 E N -0.146 119.826 120.200 -0.379 0.000 2.478 80 E HA 0.012 4.363 4.350 0.001 0.000 0.194 80 E C 0.256 176.709 176.600 -0.245 0.000 1.045 80 E CA 0.059 56.311 56.400 -0.247 0.000 0.868 80 E CB 0.009 29.651 29.700 -0.096 0.000 0.885 80 E HN 0.698 nan 8.360 nan 0.000 0.505 81 E N 0.082 120.193 120.200 -0.149 0.000 2.389 81 E HA -0.240 4.111 4.350 0.001 0.000 0.243 81 E C -0.841 175.685 176.600 -0.123 0.000 1.154 81 E CA 0.208 56.543 56.400 -0.109 0.000 0.723 81 E CB -2.244 27.387 29.700 -0.114 0.000 1.261 81 E HN 0.315 nan 8.360 nan 0.000 0.390 82 Y N 0.385 120.676 120.300 -0.014 0.000 2.379 82 Y HA 0.170 4.720 4.550 0.001 0.000 0.337 82 Y C -1.260 174.676 175.900 0.060 0.000 1.238 82 Y CA -1.633 56.502 58.100 0.059 0.000 1.405 82 Y CB 0.197 38.753 38.460 0.160 0.000 1.310 82 Y HN 0.021 nan 8.280 nan 0.000 0.569 83 P HA 0.034 nan 4.420 nan 0.000 0.274 83 P C 0.038 177.437 177.300 0.164 0.000 1.231 83 P CA -0.182 63.024 63.100 0.176 0.000 0.790 83 P CB 1.042 32.849 31.700 0.178 0.000 0.951 84 E N 0.773 121.035 120.200 0.104 0.000 2.110 84 E HA -0.178 4.173 4.350 0.001 0.000 0.193 84 E C 1.317 177.946 176.600 0.049 0.000 0.988 84 E CA 1.117 57.551 56.400 0.057 0.000 0.804 84 E CB -0.483 29.247 29.700 0.049 0.000 0.745 84 E HN 0.504 nan 8.360 nan 0.000 0.458 85 D N 0.360 120.836 120.400 0.127 0.000 2.269 85 D HA -0.217 4.424 4.640 0.001 0.000 0.191 85 D C 1.762 178.030 176.300 -0.054 0.000 1.007 85 D CA 1.093 55.217 54.000 0.208 0.000 0.855 85 D CB -0.472 40.580 40.800 0.421 0.000 0.979 85 D HN 0.122 nan 8.370 nan 0.000 0.452 86 F N 0.562 120.324 119.950 -0.313 0.000 2.161 86 F HA -0.175 4.353 4.527 0.001 0.000 0.300 86 F C 2.142 177.656 175.800 -0.476 0.000 1.089 86 F CA 0.781 58.344 58.000 -0.729 0.000 1.282 86 F CB -0.434 38.404 39.000 -0.270 0.000 1.010 86 F HN -0.010 nan 8.300 nan 0.000 0.485 87 L N -0.004 120.997 121.223 -0.369 0.000 2.131 87 L HA -0.166 4.175 4.340 0.001 0.000 0.210 87 L C 2.444 179.071 176.870 -0.405 0.000 1.092 87 L CA 2.043 56.622 54.840 -0.435 0.000 0.759 87 L CB -1.593 40.355 42.059 -0.184 0.000 0.903 87 L HN 0.143 nan 8.230 nan 0.000 0.435 88 T N -2.196 112.197 114.554 -0.268 0.000 2.942 88 T HA -0.182 4.169 4.350 0.001 0.000 0.265 88 T C 1.689 176.248 174.700 -0.234 0.000 1.062 88 T CA 0.924 62.910 62.100 -0.189 0.000 1.139 88 T CB -0.308 68.521 68.868 -0.065 0.000 0.883 88 T HN 0.334 nan 8.240 nan 0.000 0.468 89 Y N 2.289 122.301 120.300 -0.480 0.000 2.114 89 Y HA -0.165 4.386 4.550 0.001 0.000 0.282 89 Y C 1.860 177.444 175.900 -0.525 0.000 1.165 89 Y CA 1.281 59.056 58.100 -0.541 0.000 1.148 89 Y CB -0.623 37.183 38.460 -1.090 0.000 0.972 89 Y HN 0.133 nan 8.280 nan 0.000 0.504 90 L N -0.189 120.427 121.223 -1.011 0.000 2.056 90 L HA -0.170 4.171 4.340 0.001 0.000 0.207 90 L C 2.846 179.260 176.870 -0.761 0.000 1.078 90 L CA 1.067 55.135 54.840 -1.286 0.000 0.749 90 L CB -1.163 39.850 42.059 -1.742 0.000 0.901 90 L HN 0.369 nan 8.230 nan 0.000 0.433 91 A N 0.371 122.906 122.820 -0.474 0.000 1.940 91 A HA -0.263 4.057 4.320 0.001 0.000 0.219 91 A C 2.009 179.522 177.584 -0.118 0.000 1.176 91 A CA 2.278 54.192 52.037 -0.206 0.000 0.631 91 A CB -0.670 18.239 19.000 -0.151 0.000 0.814 91 A HN 0.452 nan 8.150 nan 0.000 0.446 92 N N -1.578 117.023 118.700 -0.166 0.000 2.467 92 N HA 0.034 4.775 4.740 0.001 0.000 0.184 92 N C 0.122 175.580 175.510 -0.087 0.000 1.106 92 N CA -0.324 52.667 53.050 -0.099 0.000 0.892 92 N CB -0.465 37.972 38.487 -0.083 0.000 0.969 92 N HN 0.401 nan 8.380 nan 0.000 0.454 93 F N 2.370 122.143 119.950 -0.295 0.000 2.602 93 F HA 0.019 4.547 4.527 0.001 0.000 0.385 93 F C 0.339 176.091 175.800 -0.081 0.000 1.063 93 F CA -0.106 57.739 58.000 -0.258 0.000 1.233 93 F CB 0.335 39.192 39.000 -0.237 0.000 1.067 93 F HN 0.157 nan 8.300 nan 0.000 0.564 94 E N 6.209 126.140 120.200 -0.449 0.000 2.340 94 E HA 0.282 4.633 4.350 0.001 0.000 0.273 94 E C -1.625 174.639 176.600 -0.560 0.000 0.891 94 E CA -1.058 55.150 56.400 -0.320 0.000 0.757 94 E CB 1.548 31.192 29.700 -0.094 0.000 1.231 94 E HN 0.500 nan 8.360 nan 0.000 0.439 95 F N 2.243 121.945 119.950 -0.412 0.000 2.504 95 F HA 0.243 4.771 4.527 0.001 0.000 0.369 95 F C 0.145 175.802 175.800 -0.239 0.000 1.082 95 F CA 0.146 57.945 58.000 -0.335 0.000 1.216 95 F CB 0.670 39.558 39.000 -0.187 0.000 1.108 95 F HN 0.555 nan 8.300 nan 0.000 0.554 96 K N 4.822 124.766 120.400 -0.760 0.000 2.644 96 K HA 0.256 4.577 4.320 0.001 0.000 0.198 96 K C -0.907 175.356 176.600 -0.561 0.000 1.113 96 K CA -0.196 55.785 56.287 -0.510 0.000 1.073 96 K CB 0.197 32.518 32.500 -0.297 0.000 0.811 96 K HN 0.471 nan 8.250 nan 0.000 0.508 97 C N 1.200 119.875 119.300 -1.041 0.000 2.398 97 C HA 0.341 4.801 4.460 0.001 0.000 0.364 97 C C 0.907 175.678 174.990 -0.364 0.000 1.219 97 C CA -0.530 58.112 59.018 -0.627 0.000 2.312 97 C CB 0.975 28.367 27.740 -0.580 0.000 2.428 97 C HN 0.308 nan 8.230 nan 0.000 0.564 98 T N 2.286 116.779 114.554 -0.101 0.000 2.851 98 T HA 0.401 4.752 4.350 0.001 0.000 0.298 98 T C -0.216 174.559 174.700 0.125 0.000 0.977 98 T CA -0.022 62.106 62.100 0.047 0.000 1.126 98 T CB 0.464 69.361 68.868 0.049 0.000 0.916 98 T HN 0.475 nan 8.240 nan 0.000 0.529 99 V N 5.478 125.534 119.914 0.236 0.000 2.444 99 V HA 0.492 4.613 4.120 0.001 0.000 0.294 99 V C 0.036 176.250 176.094 0.199 0.000 1.022 99 V CA -0.933 61.533 62.300 0.277 0.000 0.850 99 V CB 1.569 33.652 31.823 0.433 0.000 0.992 99 V HN 0.750 nan 8.190 nan 0.000 0.426 100 R N 2.540 123.116 120.500 0.127 0.000 2.637 100 R HA 0.841 5.182 4.340 0.001 0.000 0.291 100 R C -0.637 175.664 176.300 0.003 0.000 0.963 100 R CA -0.466 55.658 56.100 0.040 0.000 0.901 100 R CB 2.162 32.467 30.300 0.009 0.000 1.160 100 R HN 0.675 nan 8.270 nan 0.000 0.457 101 S N 0.717 116.368 115.700 -0.081 0.000 2.537 101 S HA 0.605 5.076 4.470 0.001 0.000 0.270 101 S C -1.003 173.431 174.600 -0.276 0.000 1.142 101 S CA -0.591 57.520 58.200 -0.149 0.000 0.870 101 S CB 1.587 64.768 63.200 -0.031 0.000 1.112 101 S HN 0.732 nan 8.310 nan 0.000 0.466 102 A N 3.146 125.676 122.820 -0.483 0.000 2.507 102 A HA 0.475 4.796 4.320 0.001 0.000 0.235 102 A C -0.099 177.271 177.584 -0.357 0.000 1.070 102 A CA 0.103 51.817 52.037 -0.539 0.000 0.768 102 A CB -0.261 18.183 19.000 -0.927 0.000 1.011 102 A HN 0.803 nan 8.150 nan 0.000 0.502 103 L N 0.808 121.987 121.223 -0.073 0.000 2.375 103 L HA 0.321 4.662 4.340 0.001 0.000 0.268 103 L C 0.589 177.701 176.870 0.403 0.000 1.058 103 L CA -0.630 54.277 54.840 0.112 0.000 0.803 103 L CB 0.801 42.882 42.059 0.036 0.000 1.212 103 L HN 0.748 nan 8.230 nan 0.000 0.451 104 E N 0.832 121.270 120.200 0.396 0.000 2.414 104 E HA 0.142 4.493 4.350 0.001 0.000 0.263 104 E C 0.787 177.604 176.600 0.361 0.000 1.000 104 E CA 0.830 57.441 56.400 0.353 0.000 0.914 104 E CB 0.513 30.332 29.700 0.198 0.000 0.948 104 E HN 0.881 nan 8.360 nan 0.000 0.444 105 G N 3.253 112.222 108.800 0.281 0.000 2.195 105 G HA2 -0.225 3.736 3.960 0.001 0.000 0.246 105 G HA3 -0.225 3.736 3.960 0.001 0.000 0.246 105 G C 0.042 175.000 174.900 0.096 0.000 0.984 105 G CA -0.032 45.192 45.100 0.205 0.000 0.633 105 G HN 0.579 nan 8.290 nan 0.000 0.525 106 D N 0.716 121.248 120.400 0.219 0.000 2.414 106 D HA 0.366 5.006 4.640 0.001 0.000 0.242 106 D C 1.354 177.648 176.300 -0.009 0.000 1.129 106 D CA -0.012 54.026 54.000 0.063 0.000 0.885 106 D CB 0.593 41.457 40.800 0.106 0.000 1.198 106 D HN 0.345 nan 8.370 nan 0.000 0.437 107 L N 2.018 123.176 121.223 -0.109 0.000 2.410 107 L HA 0.209 4.550 4.340 0.001 0.000 0.273 107 L C 0.421 177.126 176.870 -0.274 0.000 1.152 107 L CA -0.324 54.390 54.840 -0.210 0.000 0.855 107 L CB 0.461 42.388 42.059 -0.221 0.000 1.129 107 L HN 0.118 nan 8.230 nan 0.000 0.463 108 V N -0.046 119.596 119.914 -0.453 0.000 3.078 108 V HA 0.688 4.808 4.120 0.001 0.000 0.311 108 V C -0.857 174.846 176.094 -0.653 0.000 1.138 108 V CA -0.839 61.266 62.300 -0.325 0.000 1.007 108 V CB 2.097 33.931 31.823 0.018 0.000 1.045 108 V HN 0.528 nan 8.190 nan 0.000 0.432 109 F N 0.527 120.457 119.950 -0.033 0.000 2.675 109 F HA 0.614 5.142 4.527 0.001 0.000 0.324 109 F C 0.179 175.689 175.800 -0.483 0.000 1.106 109 F CA -0.947 57.017 58.000 -0.061 0.000 0.970 109 F CB 1.388 40.355 39.000 -0.054 0.000 1.385 109 F HN 0.789 nan 8.300 nan 0.000 0.489 110 N N 0.098 118.685 118.700 -0.190 0.000 2.482 110 N HA 0.132 4.872 4.740 0.001 0.000 0.260 110 N C -0.614 174.758 175.510 -0.229 0.000 1.236 110 N CA -0.210 52.567 53.050 -0.455 0.000 0.938 110 N CB 0.200 38.681 38.487 -0.010 0.000 1.128 110 N HN 0.756 nan 8.380 nan 0.000 0.448 111 N N -1.871 116.713 118.700 -0.194 0.000 2.776 111 N HA -0.237 4.503 4.740 0.001 0.000 0.249 111 N C -1.498 173.865 175.510 -0.246 0.000 1.111 111 N CA 1.057 54.005 53.050 -0.169 0.000 0.711 111 N CB -1.071 37.335 38.487 -0.135 0.000 1.065 111 N HN 0.911 nan 8.380 nan 0.000 0.556 112 E N -1.257 118.806 120.200 -0.228 0.000 2.331 112 E HA 0.522 4.872 4.350 0.001 0.000 0.275 112 E C -3.161 173.342 176.600 -0.161 0.000 0.895 112 E CA -2.320 53.963 56.400 -0.196 0.000 0.753 112 E CB 2.466 32.091 29.700 -0.125 0.000 1.216 112 E HN -0.169 nan 8.360 nan 0.000 0.434 113 P HA 0.058 nan 4.420 nan 0.000 0.271 113 P C 0.067 177.290 177.300 -0.127 0.000 1.216 113 P CA -0.177 62.860 63.100 -0.104 0.000 0.771 113 P CB 1.123 32.765 31.700 -0.097 0.000 0.864 114 L N 2.186 123.335 121.223 -0.123 0.000 2.609 114 L HA 0.367 4.708 4.340 0.001 0.000 0.230 114 L C 0.852 177.586 176.870 -0.225 0.000 1.064 114 L CA 0.379 55.093 54.840 -0.210 0.000 0.873 114 L CB 0.127 42.119 42.059 -0.112 0.000 1.139 114 L HN 0.279 nan 8.230 nan 0.000 0.490 115 I N -0.177 120.327 120.570 -0.110 0.000 2.656 115 I HA 0.309 4.480 4.170 0.001 0.000 0.292 115 I C -0.978 175.161 176.117 0.036 0.000 1.144 115 I CA -0.351 60.942 61.300 -0.012 0.000 1.038 115 I CB 2.679 40.744 38.000 0.107 0.000 1.244 115 I HN -0.056 nan 8.210 nan 0.000 0.420 116 Q N 6.009 125.879 119.800 0.116 0.000 2.304 116 Q HA 0.589 4.930 4.340 0.001 0.000 0.270 116 Q C -1.783 174.359 176.000 0.237 0.000 1.035 116 Q CA -0.675 55.230 55.803 0.171 0.000 0.781 116 Q CB 2.335 31.122 28.738 0.082 0.000 1.261 116 Q HN 0.519 nan 8.270 nan 0.000 0.444 117 I N 3.014 123.780 120.570 0.326 0.000 2.433 117 I HA 0.419 4.589 4.170 0.001 0.000 0.292 117 I C -0.542 175.685 176.117 0.184 0.000 1.001 117 I CA -0.455 61.002 61.300 0.261 0.000 1.119 117 I CB 1.662 39.815 38.000 0.255 0.000 1.289 117 I HN 0.753 nan 8.210 nan 0.000 0.438 118 E N 4.421 124.668 120.200 0.077 0.000 2.260 118 E HA 0.670 5.021 4.350 0.001 0.000 0.266 118 E C -0.557 175.988 176.600 -0.091 0.000 0.887 118 E CA -0.444 55.934 56.400 -0.037 0.000 0.777 118 E CB 2.193 31.875 29.700 -0.030 0.000 1.205 118 E HN 0.910 nan 8.360 nan 0.000 0.414 119 G N 3.442 112.123 108.800 -0.198 0.000 2.398 119 G HA2 0.112 4.072 3.960 0.001 0.000 0.251 119 G HA3 0.112 4.072 3.960 0.001 0.000 0.251 119 G C -2.952 171.913 174.900 -0.059 0.000 1.277 119 G CA -0.856 44.191 45.100 -0.088 0.000 0.927 119 G HN 0.402 nan 8.290 nan 0.000 0.477 120 P HA 0.252 nan 4.420 nan 0.000 0.266 120 P C 1.246 178.581 177.300 0.059 0.000 1.215 120 P CA -0.387 62.738 63.100 0.042 0.000 0.763 120 P CB 0.933 32.665 31.700 0.053 0.000 0.806 121 L N 5.543 126.789 121.223 0.038 0.000 2.030 121 L HA -0.329 4.012 4.340 0.001 0.000 0.222 121 L C 2.078 179.022 176.870 0.123 0.000 1.082 121 L CA 2.803 57.666 54.840 0.037 0.000 0.785 121 L CB -1.524 40.408 42.059 -0.211 0.000 0.895 121 L HN 0.425 nan 8.230 nan 0.000 0.439 122 A N -1.608 121.345 122.820 0.222 0.000 1.930 122 A HA -0.219 4.102 4.320 0.001 0.000 0.217 122 A C 2.134 179.946 177.584 0.379 0.000 1.175 122 A CA 1.683 53.979 52.037 0.431 0.000 0.627 122 A CB -0.483 18.852 19.000 0.558 0.000 0.815 122 A HN 0.731 nan 8.150 nan 0.000 0.443 123 Q N -0.995 119.002 119.800 0.328 0.000 2.083 123 Q HA -0.143 4.197 4.340 0.001 0.000 0.198 123 Q C 2.348 178.483 176.000 0.224 0.000 0.969 123 Q CA 1.479 57.511 55.803 0.382 0.000 0.838 123 Q CB -0.449 28.418 28.738 0.214 0.000 0.900 123 Q HN 0.735 nan 8.270 nan 0.000 0.436 124 C N 0.840 120.172 119.300 0.054 0.000 2.398 124 C HA -0.195 4.265 4.460 0.001 0.000 0.276 124 C C 2.718 177.411 174.990 -0.496 0.000 1.222 124 C CA 1.215 60.103 59.018 -0.216 0.000 1.746 124 C CB -0.852 26.735 27.740 -0.255 0.000 2.039 124 C HN 0.536 nan 8.230 nan 0.000 0.470 125 Q N 0.385 119.986 119.800 -0.333 0.000 2.096 125 Q HA -0.183 4.158 4.340 0.001 0.000 0.204 125 Q C 2.013 177.931 176.000 -0.137 0.000 0.982 125 Q CA 1.513 57.169 55.803 -0.245 0.000 0.850 125 Q CB -0.574 28.224 28.738 0.101 0.000 0.901 125 Q HN 0.617 nan 8.270 nan 0.000 0.422 126 L N -0.303 120.914 121.223 -0.010 0.000 2.079 126 L HA -0.115 4.226 4.340 0.001 0.000 0.210 126 L C 2.046 178.885 176.870 -0.052 0.000 1.081 126 L CA 1.950 56.789 54.840 -0.002 0.000 0.752 126 L CB -0.534 41.533 42.059 0.014 0.000 0.896 126 L HN 0.331 nan 8.230 nan 0.000 0.433 127 V N -4.571 115.282 119.914 -0.101 0.000 3.406 127 V HA 0.009 4.129 4.120 0.001 0.000 0.263 127 V C 2.067 178.025 176.094 -0.227 0.000 1.172 127 V CA 0.906 63.161 62.300 -0.076 0.000 1.140 127 V CB -0.584 31.201 31.823 -0.063 0.000 0.784 127 V HN 0.478 nan 8.190 nan 0.000 0.467 128 E N 1.335 121.302 120.200 -0.389 0.000 2.038 128 E HA -0.179 4.172 4.350 0.001 0.000 0.195 128 E C 2.275 178.785 176.600 -0.149 0.000 1.000 128 E CA 2.300 58.394 56.400 -0.510 0.000 0.803 128 E CB -0.414 29.032 29.700 -0.424 0.000 0.750 128 E HN 0.690 nan 8.360 nan 0.000 0.448 129 T N 0.732 115.241 114.554 -0.074 0.000 2.708 129 T HA -0.160 4.190 4.350 0.001 0.000 0.266 129 T C 1.982 176.653 174.700 -0.048 0.000 1.037 129 T CA 1.309 63.401 62.100 -0.013 0.000 1.146 129 T CB -0.266 68.606 68.868 0.006 0.000 0.865 129 T HN 0.261 nan 8.240 nan 0.000 0.435 130 A N 0.965 123.697 122.820 -0.146 0.000 1.898 130 A HA 0.035 4.356 4.320 0.001 0.000 0.216 130 A C 2.203 179.567 177.584 -0.366 0.000 1.181 130 A CA 1.076 52.904 52.037 -0.350 0.000 0.620 130 A CB -0.745 17.737 19.000 -0.863 0.000 0.819 130 A HN 0.326 nan 8.150 nan 0.000 0.442 131 L N -0.279 120.796 121.223 -0.246 0.000 2.017 131 L HA -0.134 4.207 4.340 0.001 0.000 0.208 131 L C 2.526 179.422 176.870 0.043 0.000 1.073 131 L CA 1.482 56.288 54.840 -0.058 0.000 0.745 131 L CB -0.769 41.389 42.059 0.166 0.000 0.894 131 L HN 0.379 nan 8.230 nan 0.000 0.432 132 L N -1.008 120.285 121.223 0.115 0.000 2.012 132 L HA -0.288 4.052 4.340 0.001 0.000 0.210 132 L C 2.315 179.195 176.870 0.016 0.000 1.073 132 L CA 1.815 56.720 54.840 0.108 0.000 0.748 132 L CB -0.688 41.458 42.059 0.144 0.000 0.891 132 L HN 0.468 nan 8.230 nan 0.000 0.431 133 N N 0.159 118.844 118.700 -0.025 0.000 2.061 133 N HA -0.255 4.485 4.740 0.001 0.000 0.193 133 N C 2.018 177.482 175.510 -0.077 0.000 1.030 133 N CA 2.026 55.046 53.050 -0.049 0.000 0.856 133 N CB -0.013 38.443 38.487 -0.051 0.000 1.023 133 N HN 0.345 nan 8.380 nan 0.000 0.424 134 M N -1.139 118.370 119.600 -0.151 0.000 2.248 134 M HA 0.034 4.515 4.480 0.001 0.000 0.265 134 M C 1.988 178.217 176.300 -0.119 0.000 1.079 134 M CA 1.049 56.238 55.300 -0.185 0.000 1.150 134 M CB -0.347 32.048 32.600 -0.341 0.000 1.366 134 M HN -0.096 nan 8.290 nan 0.000 0.433 135 V N 1.804 121.654 119.914 -0.106 0.000 2.379 135 V HA -0.174 3.946 4.120 0.001 0.000 0.245 135 V C 2.367 178.396 176.094 -0.108 0.000 1.044 135 V CA 1.613 63.829 62.300 -0.140 0.000 1.036 135 V CB -1.013 30.780 31.823 -0.049 0.000 0.664 135 V HN 0.513 nan 8.190 nan 0.000 0.453 136 N N -0.031 118.647 118.700 -0.036 0.000 2.043 136 N HA -0.210 4.530 4.740 0.001 0.000 0.193 136 N C 1.802 177.293 175.510 -0.033 0.000 1.037 136 N CA 2.017 55.045 53.050 -0.037 0.000 0.851 136 N CB -0.382 38.103 38.487 -0.003 0.000 1.027 136 N HN 0.506 nan 8.380 nan 0.000 0.422 137 F N 2.129 122.012 119.950 -0.112 0.000 2.113 137 F HA -0.092 4.435 4.527 0.001 0.000 0.297 137 F C 2.464 178.215 175.800 -0.083 0.000 1.103 137 F CA 1.372 59.321 58.000 -0.085 0.000 1.248 137 F CB -0.420 38.542 39.000 -0.063 0.000 0.999 137 F HN 0.058 nan 8.300 nan 0.000 0.475 138 Q N -0.581 119.088 119.800 -0.217 0.000 2.079 138 Q HA -0.150 4.190 4.340 0.001 0.000 0.200 138 Q C 2.102 177.907 176.000 -0.325 0.000 0.974 138 Q CA 2.072 57.687 55.803 -0.313 0.000 0.840 138 Q CB -0.512 28.132 28.738 -0.158 0.000 0.898 138 Q HN 0.369 nan 8.270 nan 0.000 0.430 139 T N 1.605 115.979 114.554 -0.300 0.000 2.746 139 T HA -0.144 4.207 4.350 0.001 0.000 0.267 139 T C 1.768 176.326 174.700 -0.236 0.000 1.039 139 T CA 0.930 62.876 62.100 -0.256 0.000 1.142 139 T CB -0.251 68.489 68.868 -0.214 0.000 0.866 139 T HN 0.113 nan 8.240 nan 0.000 0.444 140 L N 1.074 122.134 121.223 -0.272 0.000 2.012 140 L HA -0.063 4.278 4.340 0.001 0.000 0.210 140 L C 1.977 178.768 176.870 -0.133 0.000 1.073 140 L CA 1.650 56.357 54.840 -0.222 0.000 0.748 140 L CB -0.553 41.384 42.059 -0.203 0.000 0.891 140 L HN 0.169 nan 8.230 nan 0.000 0.431 141 I N -0.324 120.053 120.570 -0.321 0.000 2.353 141 I HA -0.108 4.063 4.170 0.001 0.000 0.248 141 I C 2.662 178.674 176.117 -0.175 0.000 1.119 141 I CA 1.214 62.345 61.300 -0.281 0.000 1.417 141 I CB -2.084 35.620 38.000 -0.494 0.000 1.078 141 I HN 0.310 nan 8.210 nan 0.000 0.421 142 A N 0.658 123.375 122.820 -0.171 0.000 1.902 142 A HA -0.184 4.137 4.320 0.001 0.000 0.217 142 A C 2.435 179.980 177.584 -0.066 0.000 1.181 142 A CA 2.386 54.361 52.037 -0.102 0.000 0.623 142 A CB -1.047 17.898 19.000 -0.093 0.000 0.818 142 A HN 0.411 nan 8.150 nan 0.000 0.443 143 T N -0.355 114.166 114.554 -0.055 0.000 2.777 143 T HA -0.112 4.239 4.350 0.001 0.000 0.266 143 T C 2.026 176.659 174.700 -0.112 0.000 1.040 143 T CA 1.708 63.788 62.100 -0.034 0.000 1.141 143 T CB -0.180 68.681 68.868 -0.012 0.000 0.868 143 T HN 0.486 nan 8.240 nan 0.000 0.444 144 K N 1.903 122.264 120.400 -0.066 0.000 2.063 144 K HA 0.019 4.340 4.320 0.001 0.000 0.208 144 K C 2.227 178.640 176.600 -0.312 0.000 1.048 144 K CA 1.495 57.556 56.287 -0.377 0.000 0.928 144 K CB -0.741 31.544 32.500 -0.360 0.000 0.713 144 K HN 0.281 nan 8.250 nan 0.000 0.442 145 A N 0.299 123.008 122.820 -0.185 0.000 1.898 145 A HA 0.017 4.337 4.320 0.001 0.000 0.216 145 A C 2.358 179.868 177.584 -0.124 0.000 1.181 145 A CA 1.797 53.750 52.037 -0.140 0.000 0.620 145 A CB -1.017 17.932 19.000 -0.086 0.000 0.819 145 A HN 0.409 nan 8.150 nan 0.000 0.442 146 A N -0.066 122.702 122.820 -0.088 0.000 1.908 146 A HA -0.215 4.106 4.320 0.001 0.000 0.218 146 A C 2.233 179.790 177.584 -0.045 0.000 1.181 146 A CA 1.966 54.007 52.037 0.007 0.000 0.627 146 A CB -0.507 18.611 19.000 0.198 0.000 0.818 146 A HN 0.574 nan 8.150 nan 0.000 0.445 147 R N -0.359 119.957 120.500 -0.307 0.000 2.073 147 R HA -0.069 4.271 4.340 0.001 0.000 0.234 147 R C 1.961 178.125 176.300 -0.226 0.000 1.134 147 R CA 1.865 57.696 56.100 -0.447 0.000 0.952 147 R CB -0.392 29.449 30.300 -0.765 0.000 0.850 147 R HN 0.547 nan 8.270 nan 0.000 0.433 148 I N 0.631 121.048 120.570 -0.254 0.000 2.252 148 I HA -0.226 3.944 4.170 0.001 0.000 0.245 148 I C 2.344 178.341 176.117 -0.199 0.000 1.102 148 I CA 1.090 62.249 61.300 -0.236 0.000 1.385 148 I CB -0.214 37.643 38.000 -0.238 0.000 1.064 148 I HN 0.130 nan 8.210 nan 0.000 0.414 149 K N 0.903 121.219 120.400 -0.140 0.000 2.097 149 K HA -0.156 4.165 4.320 0.001 0.000 0.206 149 K C 2.225 178.781 176.600 -0.074 0.000 1.049 149 K CA 1.660 57.886 56.287 -0.101 0.000 0.933 149 K CB -0.465 31.997 32.500 -0.063 0.000 0.717 149 K HN 0.073 nan 8.250 nan 0.000 0.442 150 S N -0.672 115.011 115.700 -0.028 0.000 2.359 150 S HA -0.108 4.362 4.470 0.001 0.000 0.224 150 S C 1.810 176.387 174.600 -0.039 0.000 1.035 150 S CA 1.477 59.685 58.200 0.014 0.000 1.018 150 S CB -0.319 62.952 63.200 0.118 0.000 0.876 150 S HN 0.179 nan 8.310 nan 0.000 0.448 151 V N 1.506 121.365 119.914 -0.092 0.000 2.453 151 V HA -0.072 4.048 4.120 0.001 0.000 0.247 151 V C 2.109 178.083 176.094 -0.201 0.000 1.048 151 V CA 1.539 63.754 62.300 -0.142 0.000 1.049 151 V CB -0.491 31.221 31.823 -0.184 0.000 0.672 151 V HN 0.491 nan 8.190 nan 0.000 0.457 152 I N -0.637 119.781 120.570 -0.253 0.000 2.252 152 I HA 0.078 4.249 4.170 0.001 0.000 0.245 152 I C 1.651 177.714 176.117 -0.090 0.000 1.102 152 I CA 1.197 62.333 61.300 -0.273 0.000 1.385 152 I CB -0.562 37.251 38.000 -0.312 0.000 1.064 152 I HN 0.514 nan 8.210 nan 0.000 0.414 153 G N 0.844 109.605 108.800 -0.064 0.000 2.488 153 G HA2 -0.284 3.676 3.960 0.001 0.000 0.237 153 G HA3 -0.284 3.676 3.960 0.001 0.000 0.237 153 G C 0.216 175.109 174.900 -0.011 0.000 1.209 153 G CA 0.208 45.293 45.100 -0.026 0.000 0.929 153 G HN 0.186 nan 8.290 nan 0.000 0.578 154 D N 1.576 121.976 120.400 0.000 0.000 2.277 154 D HA 0.142 4.783 4.640 0.001 0.000 0.208 154 D C 0.836 177.141 176.300 0.008 0.000 0.962 154 D CA 0.784 54.783 54.000 -0.001 0.000 0.865 154 D CB -0.249 40.548 40.800 -0.005 0.000 0.939 154 D HN 0.389 nan 8.370 nan 0.000 0.510 155 D N 1.289 121.709 120.400 0.034 0.000 2.419 155 D HA 0.047 4.687 4.640 0.001 0.000 0.236 155 D C -2.271 174.061 176.300 0.054 0.000 1.165 155 D CA -0.919 53.108 54.000 0.046 0.000 0.882 155 D CB 0.145 41.016 40.800 0.117 0.000 1.201 155 D HN 0.004 nan 8.370 nan 0.000 0.443 156 P HA 0.059 nan 4.420 nan 0.000 0.267 156 P C -0.452 176.873 177.300 0.042 0.000 1.205 156 P CA -0.328 62.764 63.100 -0.012 0.000 0.765 156 P CB 0.444 32.093 31.700 -0.084 0.000 0.828 157 L N 5.439 126.671 121.223 0.015 0.000 2.287 157 L HA 0.418 4.759 4.340 0.001 0.000 0.287 157 L C -1.326 175.499 176.870 -0.074 0.000 1.022 157 L CA -0.165 54.668 54.840 -0.011 0.000 0.814 157 L CB 0.321 42.360 42.059 -0.033 0.000 1.217 157 L HN 0.188 nan 8.230 nan 0.000 0.420 158 L N 4.582 125.681 121.223 -0.207 0.000 2.313 158 L HA 0.534 4.874 4.340 0.001 0.000 0.283 158 L C 0.014 176.664 176.870 -0.366 0.000 1.013 158 L CA -0.657 53.977 54.840 -0.343 0.000 0.816 158 L CB 1.534 43.164 42.059 -0.714 0.000 1.236 158 L HN 0.547 nan 8.230 nan 0.000 0.419 159 E N 2.988 123.146 120.200 -0.069 0.000 2.105 159 E HA 0.144 4.495 4.350 0.001 0.000 0.285 159 E C -0.800 175.985 176.600 0.309 0.000 1.055 159 E CA -0.040 56.397 56.400 0.062 0.000 0.843 159 E CB 0.702 30.455 29.700 0.089 0.000 1.067 159 E HN 0.368 nan 8.360 nan 0.000 0.398 160 F N 1.894 121.868 119.950 0.040 0.000 2.775 160 F HA 0.317 4.844 4.527 0.001 0.000 0.313 160 F C 1.451 177.272 175.800 0.035 0.000 1.121 160 F CA -0.406 57.613 58.000 0.033 0.000 1.206 160 F CB 0.831 39.849 39.000 0.030 0.000 1.052 160 F HN 0.535 nan 8.300 nan 0.000 0.524 161 G N -0.697 108.233 108.800 0.217 0.000 3.284 161 G HA2 -0.007 3.954 3.960 0.001 0.000 0.236 161 G HA3 -0.007 3.954 3.960 0.001 0.000 0.236 161 G C 1.446 176.417 174.900 0.118 0.000 1.158 161 G CA 0.504 45.693 45.100 0.150 0.000 0.774 161 G HN 0.176 nan 8.290 nan 0.000 0.545 162 T N 1.507 116.123 114.554 0.104 0.000 2.685 162 T HA -0.245 4.106 4.350 0.001 0.000 0.268 162 T C 2.544 177.281 174.700 0.061 0.000 1.034 162 T CA 1.783 63.930 62.100 0.078 0.000 1.149 162 T CB -0.146 68.752 68.868 0.051 0.000 0.860 162 T HN 0.666 nan 8.240 nan 0.000 0.449 163 R N 0.824 121.354 120.500 0.050 0.000 2.193 163 R HA 0.006 4.347 4.340 0.001 0.000 0.229 163 R C 1.749 178.080 176.300 0.052 0.000 1.110 163 R CA 0.983 57.107 56.100 0.040 0.000 0.988 163 R CB -0.144 30.174 30.300 0.029 0.000 0.871 163 R HN 0.268 nan 8.270 nan 0.000 0.458 164 R N 0.667 121.210 120.500 0.071 0.000 2.362 164 R HA 0.335 4.676 4.340 0.001 0.000 0.227 164 R C 0.425 176.780 176.300 0.091 0.000 0.905 164 R CA 0.435 56.585 56.100 0.083 0.000 1.067 164 R CB 0.532 30.890 30.300 0.098 0.000 1.078 164 R HN 0.202 nan 8.270 nan 0.000 0.516 165 A N 1.413 124.284 122.820 0.085 0.000 2.287 165 A HA 0.206 4.526 4.320 0.001 0.000 0.273 165 A C 0.093 177.702 177.584 0.042 0.000 1.091 165 A CA -0.380 51.711 52.037 0.091 0.000 0.817 165 A CB 0.448 19.513 19.000 0.108 0.000 1.069 165 A HN 0.171 nan 8.150 nan 0.000 0.492 166 Q N 1.486 121.288 119.800 0.004 0.000 2.837 166 Q HA 0.197 4.537 4.340 0.001 0.000 0.235 166 Q C -0.552 175.401 176.000 -0.078 0.000 1.348 166 Q CA 0.010 55.783 55.803 -0.049 0.000 0.990 166 Q CB -0.055 28.627 28.738 -0.093 0.000 1.570 166 Q HN 0.726 nan 8.270 nan 0.000 0.575 167 E N -0.312 119.868 120.200 -0.032 0.000 8.995 167 E HA -0.251 4.099 4.350 0.001 0.000 0.298 167 E C 0.250 176.845 176.600 -0.008 0.000 1.447 167 E CA 0.488 56.874 56.400 -0.023 0.000 2.523 167 E CB -0.552 29.126 29.700 -0.036 0.000 1.154 167 E HN 0.488 nan 8.360 nan 0.000 0.427 168 L N 0.295 121.524 121.223 0.011 0.000 2.127 168 L HA -0.082 4.258 4.340 0.001 0.000 0.203 168 L C 2.017 178.937 176.870 0.083 0.000 1.080 168 L CA 0.806 55.669 54.840 0.039 0.000 0.768 168 L CB -0.424 41.654 42.059 0.031 0.000 0.924 168 L HN 0.393 nan 8.230 nan 0.000 0.444 169 D N 0.975 121.437 120.400 0.102 0.000 2.116 169 D HA -0.204 4.437 4.640 0.001 0.000 0.193 169 D C 2.222 178.667 176.300 0.242 0.000 0.998 169 D CA 1.690 55.832 54.000 0.238 0.000 0.836 169 D CB -0.010 40.883 40.800 0.154 0.000 0.951 169 D HN 0.274 nan 8.370 nan 0.000 0.449 170 A N 1.006 123.829 122.820 0.006 0.000 1.917 170 A HA -0.169 4.152 4.320 0.001 0.000 0.219 170 A C 2.330 180.064 177.584 0.250 0.000 1.182 170 A CA 2.776 54.762 52.037 -0.084 0.000 0.633 170 A CB -0.821 17.975 19.000 -0.340 0.000 0.819 170 A HN 0.275 nan 8.150 nan 0.000 0.448 171 A N 0.467 123.385 122.820 0.164 0.000 1.858 171 A HA -0.059 4.261 4.320 0.001 0.000 0.216 171 A C 2.191 179.880 177.584 0.174 0.000 1.190 171 A CA 1.705 53.840 52.037 0.163 0.000 0.617 171 A CB -0.866 18.194 19.000 0.100 0.000 0.827 171 A HN 0.988 nan 8.150 nan 0.000 0.443 172 I N -4.460 116.201 120.570 0.153 0.000 2.202 172 I HA -0.155 4.016 4.170 0.001 0.000 0.242 172 I C 2.359 178.552 176.117 0.127 0.000 1.091 172 I CA 1.418 62.785 61.300 0.112 0.000 1.368 172 I CB -0.587 37.410 38.000 -0.003 0.000 1.058 172 I HN 0.391 nan 8.210 nan 0.000 0.410 173 W N 1.763 123.216 121.300 0.256 0.000 2.476 173 W HA 0.219 4.879 4.660 0.001 0.000 0.281 173 W C 2.688 179.283 176.519 0.126 0.000 1.230 173 W CA 1.053 58.489 57.345 0.152 0.000 1.287 173 W CB -0.615 28.947 29.460 0.170 0.000 1.108 173 W HN 0.168 nan 8.180 nan 0.000 0.567 174 G N -0.860 108.241 108.800 0.501 0.000 2.418 174 G HA2 -0.272 3.689 3.960 0.001 0.000 0.217 174 G HA3 -0.272 3.689 3.960 0.001 0.000 0.217 174 G C 1.493 176.458 174.900 0.108 0.000 1.158 174 G CA 1.654 46.916 45.100 0.271 0.000 0.771 174 G HN 0.197 nan 8.290 nan 0.000 0.545 175 T N -0.373 114.260 114.554 0.131 0.000 2.904 175 T HA -0.033 4.317 4.350 0.001 0.000 0.267 175 T C 2.336 177.063 174.700 0.045 0.000 1.059 175 T CA 1.310 63.461 62.100 0.086 0.000 1.137 175 T CB -0.140 68.786 68.868 0.098 0.000 0.879 175 T HN 0.352 nan 8.240 nan 0.000 0.467 176 R N 0.343 120.824 120.500 -0.032 0.000 2.073 176 R HA -0.019 4.322 4.340 0.001 0.000 0.234 176 R C 2.560 178.845 176.300 -0.025 0.000 1.134 176 R CA 1.543 57.557 56.100 -0.143 0.000 0.952 176 R CB -0.604 29.328 30.300 -0.614 0.000 0.850 176 R HN 0.375 nan 8.270 nan 0.000 0.433 177 A N 0.859 123.662 122.820 -0.029 0.000 1.908 177 A HA -0.151 4.169 4.320 0.001 0.000 0.218 177 A C 2.378 179.942 177.584 -0.034 0.000 1.181 177 A CA 1.846 53.854 52.037 -0.048 0.000 0.627 177 A CB -0.803 18.124 19.000 -0.122 0.000 0.818 177 A HN 0.584 nan 8.150 nan 0.000 0.445 178 A N -1.415 121.398 122.820 -0.011 0.000 1.877 178 A HA -0.137 4.183 4.320 0.001 0.000 0.216 178 A C 2.141 179.759 177.584 0.056 0.000 1.186 178 A CA 1.763 53.802 52.037 0.004 0.000 0.620 178 A CB -0.913 18.098 19.000 0.019 0.000 0.822 178 A HN 0.704 nan 8.150 nan 0.000 0.443 179 Y N 0.644 120.922 120.300 -0.036 0.000 2.081 179 Y HA -0.258 4.292 4.550 0.001 0.000 0.280 179 Y C 2.062 177.950 175.900 -0.021 0.000 1.163 179 Y CA 1.789 59.875 58.100 -0.024 0.000 1.135 179 Y CB -0.493 37.956 38.460 -0.018 0.000 0.970 179 Y HN 0.293 nan 8.280 nan 0.000 0.498 180 I N -0.321 120.240 120.570 -0.016 0.000 2.145 180 I HA -0.359 3.812 4.170 0.001 0.000 0.244 180 I C 2.575 178.636 176.117 -0.093 0.000 1.075 180 I CA 1.861 63.109 61.300 -0.085 0.000 1.332 180 I CB -0.989 37.002 38.000 -0.014 0.000 1.033 180 I HN 0.383 nan 8.210 nan 0.000 0.410 181 G N -1.097 107.668 108.800 -0.058 0.000 2.572 181 G HA2 0.191 4.152 3.960 0.001 0.000 0.216 181 G HA3 0.191 4.152 3.960 0.001 0.000 0.216 181 G C 1.237 176.107 174.900 -0.050 0.000 1.133 181 G CA 0.797 45.873 45.100 -0.041 0.000 0.791 181 G HN 0.604 nan 8.290 nan 0.000 0.538 182 G N -1.594 107.161 108.800 -0.075 0.000 3.578 182 G HA2 0.317 4.278 3.960 0.001 0.000 0.220 182 G HA3 0.317 4.278 3.960 0.001 0.000 0.220 182 G C 0.460 175.329 174.900 -0.052 0.000 0.933 182 G CA 0.218 45.275 45.100 -0.073 0.000 0.847 182 G HN 0.880 nan 8.290 nan 0.000 0.612 183 A N 0.622 123.433 122.820 -0.015 0.000 2.466 183 A HA 0.504 4.825 4.320 0.001 0.000 0.238 183 A C 0.913 178.569 177.584 0.120 0.000 1.074 183 A CA 0.974 53.036 52.037 0.043 0.000 0.774 183 A CB 0.282 19.328 19.000 0.076 0.000 1.015 183 A HN 0.167 nan 8.150 nan 0.000 0.498 184 D N -0.007 120.467 120.400 0.123 0.000 2.392 184 D HA 0.384 5.025 4.640 0.001 0.000 0.206 184 D C 0.465 176.908 176.300 0.237 0.000 1.046 184 D CA 1.423 55.527 54.000 0.174 0.000 0.865 184 D CB 0.542 41.387 40.800 0.075 0.000 0.969 184 D HN 0.741 nan 8.370 nan 0.000 0.509 185 A N -0.264 122.654 122.820 0.163 0.000 2.601 185 A HA 0.519 4.840 4.320 0.001 0.000 0.291 185 A C -0.996 176.643 177.584 0.091 0.000 1.075 185 A CA -0.505 51.585 52.037 0.089 0.000 0.671 185 A CB 1.821 20.876 19.000 0.092 0.000 1.277 185 A HN -0.103 nan 8.150 nan 0.000 0.417 186 T N -0.791 113.807 114.554 0.074 0.000 2.932 186 T HA 0.550 4.901 4.350 0.001 0.000 0.289 186 T C 1.265 176.081 174.700 0.194 0.000 1.039 186 T CA 0.403 62.582 62.100 0.132 0.000 1.024 186 T CB 1.301 70.203 68.868 0.057 0.000 1.090 186 T HN 1.629 nan 8.240 nan 0.000 0.496 187 S N 2.485 118.327 115.700 0.237 0.000 2.470 187 S HA 0.071 4.541 4.470 0.001 0.000 0.225 187 S C 0.895 175.494 174.600 -0.001 0.000 1.006 187 S CA -0.076 58.152 58.200 0.046 0.000 0.934 187 S CB -0.288 62.801 63.200 -0.184 0.000 0.778 187 S HN 0.682 nan 8.310 nan 0.000 0.517 188 N N 2.242 120.961 118.700 0.031 0.000 2.406 188 N HA 0.101 4.842 4.740 0.001 0.000 0.265 188 N C 1.029 176.529 175.510 -0.017 0.000 1.203 188 N CA 0.095 53.149 53.050 0.006 0.000 0.945 188 N CB 1.209 39.712 38.487 0.027 0.000 1.165 188 N HN 0.107 nan 8.380 nan 0.000 0.485 189 V N 5.002 124.897 119.914 -0.031 0.000 2.343 189 V HA -0.214 3.906 4.120 0.001 0.000 0.247 189 V C 2.571 178.628 176.094 -0.061 0.000 1.051 189 V CA 1.709 63.985 62.300 -0.040 0.000 1.036 189 V CB -0.570 31.231 31.823 -0.037 0.000 0.654 189 V HN 0.684 nan 8.190 nan 0.000 0.451 190 R N 0.723 121.180 120.500 -0.072 0.000 2.081 190 R HA -0.172 4.168 4.340 0.001 0.000 0.235 190 R C 2.277 178.473 176.300 -0.172 0.000 1.131 190 R CA 1.740 57.771 56.100 -0.115 0.000 0.960 190 R CB -0.482 29.755 30.300 -0.105 0.000 0.856 190 R HN 0.464 nan 8.270 nan 0.000 0.436 191 A N 0.358 123.111 122.820 -0.112 0.000 1.933 191 A HA -0.068 4.253 4.320 0.001 0.000 0.218 191 A C 2.334 179.884 177.584 -0.056 0.000 1.175 191 A CA 1.666 53.665 52.037 -0.063 0.000 0.628 191 A CB -1.175 17.874 19.000 0.081 0.000 0.814 191 A HN 0.612 nan 8.150 nan 0.000 0.444 192 G N -0.260 108.500 108.800 -0.067 0.000 2.459 192 G HA2 -0.297 3.664 3.960 0.001 0.000 0.217 192 G HA3 -0.297 3.664 3.960 0.001 0.000 0.217 192 G C 1.641 176.486 174.900 -0.093 0.000 1.183 192 G CA 1.228 46.284 45.100 -0.073 0.000 0.776 192 G HN 0.564 nan 8.290 nan 0.000 0.552 193 K N 0.460 120.792 120.400 -0.113 0.000 2.015 193 K HA -0.174 4.146 4.320 0.001 0.000 0.216 193 K C 2.538 179.028 176.600 -0.183 0.000 1.052 193 K CA 2.105 58.314 56.287 -0.130 0.000 0.937 193 K CB -0.343 32.079 32.500 -0.131 0.000 0.719 193 K HN 0.546 nan 8.250 nan 0.000 0.446 194 I N -3.598 116.777 120.570 -0.326 0.000 3.228 194 I HA 0.055 4.225 4.170 0.001 0.000 0.279 194 I C 0.910 176.719 176.117 -0.513 0.000 1.221 194 I CA 0.445 61.451 61.300 -0.490 0.000 1.458 194 I CB 0.089 37.658 38.000 -0.719 0.000 1.105 194 I HN -0.064 nan 8.210 nan 0.000 0.445 195 F N 1.938 121.798 119.950 -0.150 0.000 2.712 195 F HA 0.503 5.031 4.527 0.001 0.000 0.297 195 F C 1.880 177.618 175.800 -0.103 0.000 1.114 195 F CA 0.037 57.953 58.000 -0.141 0.000 1.305 195 F CB 0.089 38.972 39.000 -0.194 0.000 1.086 195 F HN 0.197 nan 8.300 nan 0.000 0.599 196 G N 1.616 110.436 108.800 0.033 0.000 2.147 196 G HA2 -0.299 3.662 3.960 0.001 0.000 0.244 196 G HA3 -0.299 3.662 3.960 0.001 0.000 0.244 196 G C 0.218 175.062 174.900 -0.093 0.000 1.005 196 G CA -0.054 45.037 45.100 -0.014 0.000 0.713 196 G HN 0.285 nan 8.290 nan 0.000 0.515 197 I N 1.430 121.895 120.570 -0.175 0.000 2.648 197 I HA 0.212 4.382 4.170 0.001 0.000 0.284 197 I C -1.450 174.499 176.117 -0.280 0.000 1.153 197 I CA -1.891 59.132 61.300 -0.463 0.000 1.426 197 I CB 0.565 38.296 38.000 -0.449 0.000 1.381 197 I HN -0.094 nan 8.210 nan 0.000 0.571 198 P HA 0.056 nan 4.420 nan 0.000 0.265 198 P C -0.779 176.484 177.300 -0.061 0.000 1.193 198 P CA 0.035 63.076 63.100 -0.098 0.000 0.765 198 P CB 0.508 32.193 31.700 -0.026 0.000 0.823 199 V N 2.530 122.435 119.914 -0.015 0.000 2.667 199 V HA 0.633 4.753 4.120 0.001 0.000 0.308 199 V C 0.222 176.347 176.094 0.053 0.000 1.048 199 V CA -0.238 62.071 62.300 0.015 0.000 0.928 199 V CB 1.876 33.696 31.823 -0.005 0.000 1.004 199 V HN 0.559 nan 8.190 nan 0.000 0.444 200 S N 1.315 117.076 115.700 0.102 0.000 2.564 200 S HA 0.945 5.416 4.470 0.001 0.000 0.274 200 S C -0.380 174.279 174.600 0.097 0.000 1.124 200 S CA 0.178 58.464 58.200 0.143 0.000 0.869 200 S CB 1.958 65.306 63.200 0.247 0.000 1.105 200 S HN 1.358 nan 8.310 nan 0.000 0.472 201 G N 0.535 109.361 108.800 0.044 0.000 2.559 201 G HA2 0.585 4.545 3.960 0.001 0.000 0.291 201 G HA3 0.585 4.545 3.960 0.001 0.000 0.291 201 G C -0.241 174.583 174.900 -0.126 0.000 1.424 201 G CA 0.234 45.271 45.100 -0.105 0.000 0.786 201 G HN 1.006 nan 8.290 nan 0.000 0.485 202 T N -2.516 111.899 114.554 -0.231 0.000 1.559 202 T HA 0.717 5.068 4.350 0.001 0.000 0.177 202 T C 0.287 174.792 174.700 -0.326 0.000 0.688 202 T CA 0.764 62.653 62.100 -0.352 0.000 1.094 202 T CB 0.615 69.209 68.868 -0.457 0.000 3.358 202 T HN 1.520 nan 8.240 nan 0.000 0.413 203 H N -0.066 118.776 119.070 -0.381 0.000 2.960 203 H HA 0.870 5.427 4.556 0.001 0.000 0.338 203 H C -0.667 174.537 175.328 -0.206 0.000 1.261 203 H CA -0.951 54.949 56.048 -0.248 0.000 1.136 203 H CB 1.118 30.732 29.762 -0.248 0.000 1.875 203 H HN 0.826 nan 8.280 nan 0.000 0.550 204 A N -0.336 122.483 122.820 -0.001 0.000 2.261 204 A HA 0.317 4.637 4.320 0.001 0.000 0.323 204 A C 0.043 177.622 177.584 -0.009 0.000 1.107 204 A CA -0.636 51.344 52.037 -0.095 0.000 0.883 204 A CB 0.101 19.095 19.000 -0.010 0.000 1.251 204 A HN 0.965 nan 8.150 nan 0.000 0.502 205 H N 0.222 119.320 119.070 0.045 0.000 2.457 205 H HA -0.112 4.445 4.556 0.001 0.000 0.294 205 H C 2.385 177.752 175.328 0.065 0.000 1.064 205 H CA 2.115 58.188 56.048 0.042 0.000 1.330 205 H CB 0.047 29.787 29.762 -0.036 0.000 1.395 205 H HN 0.686 nan 8.280 nan 0.000 0.541 206 S N 0.754 116.553 115.700 0.166 0.000 2.383 206 S HA -0.192 4.279 4.470 0.001 0.000 0.229 206 S C 2.137 176.810 174.600 0.123 0.000 1.030 206 S CA 1.194 59.465 58.200 0.117 0.000 1.002 206 S CB -0.558 62.692 63.200 0.083 0.000 0.829 206 S HN 0.315 nan 8.310 nan 0.000 0.467 207 L N 2.083 123.402 121.223 0.159 0.000 2.012 207 L HA -0.036 4.304 4.340 0.001 0.000 0.210 207 L C 2.452 179.448 176.870 0.209 0.000 1.073 207 L CA 1.637 56.583 54.840 0.176 0.000 0.748 207 L CB -0.919 41.238 42.059 0.163 0.000 0.891 207 L HN 0.245 nan 8.230 nan 0.000 0.431 208 V N -0.304 119.724 119.914 0.191 0.000 2.295 208 V HA -0.315 3.806 4.120 0.001 0.000 0.246 208 V C 2.581 178.798 176.094 0.206 0.000 1.049 208 V CA 2.122 64.518 62.300 0.161 0.000 1.024 208 V CB -0.760 31.131 31.823 0.113 0.000 0.648 208 V HN 0.577 nan 8.190 nan 0.000 0.447 209 Q N 0.505 120.402 119.800 0.162 0.000 2.170 209 Q HA -0.172 4.169 4.340 0.001 0.000 0.203 209 Q C 2.426 178.495 176.000 0.115 0.000 0.976 209 Q CA 1.777 57.679 55.803 0.166 0.000 0.858 209 Q CB -0.379 28.422 28.738 0.106 0.000 0.907 209 Q HN 0.796 nan 8.270 nan 0.000 0.433 210 S N -0.363 115.378 115.700 0.068 0.000 2.400 210 S HA -0.195 4.275 4.470 0.001 0.000 0.232 210 S C 1.562 176.052 174.600 -0.184 0.000 1.025 210 S CA 1.000 59.160 58.200 -0.065 0.000 0.993 210 S CB -0.339 62.792 63.200 -0.115 0.000 0.808 210 S HN 0.425 nan 8.310 nan 0.000 0.478 211 Y N 1.415 121.727 120.300 0.021 0.000 2.436 211 Y HA 0.370 4.921 4.550 0.001 0.000 0.288 211 Y C 2.338 178.245 175.900 0.011 0.000 1.112 211 Y CA 0.253 58.353 58.100 0.001 0.000 1.220 211 Y CB -0.285 38.156 38.460 -0.033 0.000 1.073 211 Y HN 0.440 nan 8.280 nan 0.000 0.552 212 G N 0.700 109.624 108.800 0.206 0.000 2.176 212 G HA2 -0.306 3.655 3.960 0.001 0.000 0.253 212 G HA3 -0.306 3.655 3.960 0.001 0.000 0.253 212 G C -0.188 174.730 174.900 0.029 0.000 0.979 212 G CA 0.321 45.502 45.100 0.136 0.000 0.641 212 G HN 0.643 nan 8.290 nan 0.000 0.530 213 N N -1.648 117.110 118.700 0.096 0.000 2.710 213 N HA 0.505 5.245 4.740 0.001 0.000 0.257 213 N C 0.016 175.489 175.510 -0.063 0.000 1.327 213 N CA -0.210 52.836 53.050 -0.008 0.000 0.861 213 N CB 0.600 39.038 38.487 -0.081 0.000 1.532 213 N HN -0.188 nan 8.380 nan 0.000 0.499 214 D N -0.237 120.068 120.400 -0.159 0.000 2.097 214 D HA -0.154 4.487 4.640 0.001 0.000 0.197 214 D C 1.087 176.846 176.300 -0.902 0.000 0.984 214 D CA 1.427 55.021 54.000 -0.677 0.000 0.826 214 D CB -0.249 40.231 40.800 -0.533 0.000 0.973 214 D HN 0.596 nan 8.370 nan 0.000 0.460 215 Y N 2.222 122.218 120.300 -0.507 0.000 2.097 215 Y HA -0.218 4.333 4.550 0.001 0.000 0.282 215 Y C 2.146 177.817 175.900 -0.382 0.000 1.152 215 Y CA 1.826 59.707 58.100 -0.365 0.000 1.136 215 Y CB -0.230 38.104 38.460 -0.209 0.000 0.975 215 Y HN -0.043 nan 8.280 nan 0.000 0.498 216 E N -0.219 119.702 120.200 -0.466 0.000 2.110 216 E HA -0.176 4.175 4.350 0.001 0.000 0.193 216 E C 2.311 178.330 176.600 -0.968 0.000 0.988 216 E CA 0.872 56.882 56.400 -0.651 0.000 0.804 216 E CB -0.288 29.174 29.700 -0.397 0.000 0.745 216 E HN 0.599 nan 8.360 nan 0.000 0.458 217 A N 0.802 123.140 122.820 -0.803 0.000 1.897 217 A HA -0.118 4.203 4.320 0.001 0.000 0.215 217 A C 1.785 179.169 177.584 -0.333 0.000 1.181 217 A CA 0.859 52.527 52.037 -0.615 0.000 0.620 217 A CB -0.453 18.394 19.000 -0.255 0.000 0.821 217 A HN 0.121 nan 8.150 nan 0.000 0.443 218 F N -0.888 118.768 119.950 -0.490 0.000 2.146 218 F HA -0.094 4.434 4.527 0.001 0.000 0.298 218 F C 2.272 177.773 175.800 -0.498 0.000 1.096 218 F CA 1.289 58.898 58.000 -0.652 0.000 1.275 218 F CB -1.114 37.176 39.000 -1.183 0.000 1.008 218 F HN 0.227 nan 8.300 nan 0.000 0.480 219 M N 0.785 120.122 119.600 -0.438 0.000 2.080 219 M HA -0.134 4.346 4.480 0.001 0.000 0.260 219 M C 2.276 178.444 176.300 -0.220 0.000 1.068 219 M CA 1.960 57.025 55.300 -0.391 0.000 1.109 219 M CB -0.882 31.328 32.600 -0.649 0.000 1.342 219 M HN 0.063 nan 8.290 nan 0.000 0.405 220 A N -1.340 121.309 122.820 -0.285 0.000 1.908 220 A HA -0.234 4.087 4.320 0.001 0.000 0.218 220 A C 2.187 179.775 177.584 0.007 0.000 1.181 220 A CA 1.884 53.834 52.037 -0.145 0.000 0.627 220 A CB -1.427 17.471 19.000 -0.171 0.000 0.818 220 A HN 0.681 nan 8.150 nan 0.000 0.445 221 Y N 0.332 120.636 120.300 0.006 0.000 2.181 221 Y HA -0.104 4.446 4.550 0.001 0.000 0.288 221 Y C 2.721 178.749 175.900 0.212 0.000 1.146 221 Y CA 1.381 59.582 58.100 0.169 0.000 1.164 221 Y CB -0.325 38.240 38.460 0.175 0.000 0.982 221 Y HN 0.327 nan 8.280 nan 0.000 0.515 222 A N 0.027 123.047 122.820 0.334 0.000 1.933 222 A HA -0.209 4.111 4.320 0.001 0.000 0.218 222 A C 2.088 179.706 177.584 0.057 0.000 1.175 222 A CA 1.893 54.072 52.037 0.236 0.000 0.628 222 A CB -0.517 18.607 19.000 0.206 0.000 0.814 222 A HN 0.492 nan 8.150 nan 0.000 0.444 223 K N -0.640 119.753 120.400 -0.012 0.000 2.362 223 K HA -0.064 4.257 4.320 0.001 0.000 0.200 223 K C 1.425 177.953 176.600 -0.121 0.000 1.046 223 K CA 1.545 57.797 56.287 -0.059 0.000 0.952 223 K CB -0.050 32.411 32.500 -0.065 0.000 0.753 223 K HN 0.725 nan 8.250 nan 0.000 0.466 224 T N -2.853 111.574 114.554 -0.212 0.000 3.004 224 T HA 0.148 4.499 4.350 0.001 0.000 0.266 224 T C 0.181 174.403 174.700 -0.796 0.000 0.986 224 T CA -0.495 61.341 62.100 -0.439 0.000 0.902 224 T CB 0.165 68.754 68.868 -0.465 0.000 1.118 224 T HN -0.036 nan 8.240 nan 0.000 0.522 225 H N 0.144 119.068 119.070 -0.243 0.000 2.930 225 H HA 0.479 5.036 4.556 0.001 0.000 0.371 225 H C 0.488 175.784 175.328 -0.054 0.000 1.169 225 H CA -0.795 55.134 56.048 -0.198 0.000 1.157 225 H CB 2.606 32.135 29.762 -0.389 0.000 1.789 225 H HN -0.049 nan 8.280 nan 0.000 0.547 226 R N 0.704 121.266 120.500 0.102 0.000 2.052 226 R HA -0.039 4.301 4.340 0.001 0.000 0.226 226 R C -0.562 175.796 176.300 0.096 0.000 1.145 226 R CA 0.684 56.832 56.100 0.081 0.000 0.952 226 R CB 0.128 30.460 30.300 0.053 0.000 0.847 226 R HN 0.490 nan 8.270 nan 0.000 0.431 227 D N 0.814 121.275 120.400 0.101 0.000 2.352 227 D HA 0.101 4.741 4.640 0.001 0.000 0.245 227 D C -1.011 175.317 176.300 0.047 0.000 1.224 227 D CA 0.151 54.185 54.000 0.057 0.000 0.879 227 D CB 0.933 41.757 40.800 0.040 0.000 1.057 227 D HN 0.205 nan 8.370 nan 0.000 0.491 228 C N 3.298 122.551 119.300 -0.078 0.000 2.251 228 C HA 0.398 4.858 4.460 0.001 0.000 0.323 228 C C 0.311 174.900 174.990 -0.668 0.000 1.241 228 C CA -0.763 58.039 59.018 -0.360 0.000 1.601 228 C CB 0.344 27.807 27.740 -0.461 0.000 2.251 228 C HN 0.293 nan 8.230 nan 0.000 0.488 229 V N 4.885 124.347 119.914 -0.753 0.000 2.357 229 V HA 0.436 4.556 4.120 0.001 0.000 0.284 229 V C -0.576 175.048 176.094 -0.784 0.000 1.018 229 V CA -0.300 61.503 62.300 -0.829 0.000 0.841 229 V CB 0.789 32.050 31.823 -0.936 0.000 0.991 229 V HN 0.627 nan 8.190 nan 0.000 0.437 230 F N 4.822 124.502 119.950 -0.450 0.000 2.405 230 F HA 0.484 5.012 4.527 0.001 0.000 0.355 230 F C 0.044 175.534 175.800 -0.517 0.000 1.121 230 F CA -1.210 56.425 58.000 -0.608 0.000 1.112 230 F CB 1.292 39.529 39.000 -1.270 0.000 1.126 230 F HN 0.306 nan 8.300 nan 0.000 0.481 231 L N 5.720 126.727 121.223 -0.361 0.000 2.433 231 L HA 0.220 4.560 4.340 0.001 0.000 0.275 231 L C 0.643 177.602 176.870 0.148 0.000 1.128 231 L CA 0.221 54.894 54.840 -0.277 0.000 0.875 231 L CB 0.498 42.178 42.059 -0.632 0.000 1.171 231 L HN 0.588 nan 8.230 nan 0.000 0.463 232 V N 0.189 120.188 119.914 0.142 0.000 3.578 232 V HA 0.271 4.392 4.120 0.001 0.000 0.290 232 V C 0.619 176.848 176.094 0.225 0.000 1.376 232 V CA 0.551 63.029 62.300 0.297 0.000 1.083 232 V CB -0.101 31.848 31.823 0.209 0.000 0.911 232 V HN 0.824 nan 8.190 nan 0.000 0.433 233 D N -0.701 119.806 120.400 0.179 0.000 2.463 233 D HA 0.068 4.708 4.640 0.001 0.000 0.224 233 D C 1.279 177.636 176.300 0.095 0.000 1.174 233 D CA 0.451 54.538 54.000 0.145 0.000 0.829 233 D CB 0.120 41.001 40.800 0.135 0.000 0.993 233 D HN 0.301 nan 8.370 nan 0.000 0.497 234 T N -0.363 114.227 114.554 0.061 0.000 2.746 234 T HA -0.139 4.211 4.350 0.001 0.000 0.267 234 T C 0.833 175.243 174.700 -0.482 0.000 1.039 234 T CA 1.462 63.402 62.100 -0.266 0.000 1.142 234 T CB -0.175 68.384 68.868 -0.514 0.000 0.866 234 T HN 0.268 nan 8.240 nan 0.000 0.444 235 Y N -0.151 120.193 120.300 0.072 0.000 2.678 235 Y HA 0.405 4.956 4.550 0.001 0.000 0.274 235 Y C 0.671 176.595 175.900 0.040 0.000 1.114 235 Y CA -0.644 57.478 58.100 0.037 0.000 1.274 235 Y CB 0.854 39.328 38.460 0.023 0.000 1.438 235 Y HN 0.041 nan 8.280 nan 0.000 0.493 236 D N -0.939 119.579 120.400 0.197 0.000 2.484 236 D HA 0.102 4.742 4.640 0.001 0.000 0.206 236 D C 0.009 176.389 176.300 0.132 0.000 1.322 236 D CA 0.196 54.276 54.000 0.134 0.000 0.913 236 D CB 1.745 42.615 40.800 0.116 0.000 1.559 236 D HN 0.052 nan 8.370 nan 0.000 0.565 237 T N 3.027 117.649 114.554 0.113 0.000 2.652 237 T HA -0.107 4.243 4.350 0.001 0.000 0.267 237 T C 1.999 176.769 174.700 0.117 0.000 1.039 237 T CA 1.181 63.353 62.100 0.119 0.000 1.153 237 T CB 0.089 69.015 68.868 0.097 0.000 0.863 237 T HN 0.450 nan 8.240 nan 0.000 0.428 238 L N -0.218 121.062 121.223 0.096 0.000 2.209 238 L HA 0.093 4.434 4.340 0.001 0.000 0.207 238 L C 2.507 179.428 176.870 0.084 0.000 1.094 238 L CA 1.094 55.986 54.840 0.087 0.000 0.790 238 L CB -0.279 41.823 42.059 0.072 0.000 0.932 238 L HN 0.160 nan 8.230 nan 0.000 0.447 239 K N -0.552 119.897 120.400 0.081 0.000 2.308 239 K HA 0.184 4.504 4.320 0.001 0.000 0.197 239 K C 1.722 178.366 176.600 0.073 0.000 1.049 239 K CA 0.755 57.082 56.287 0.067 0.000 0.991 239 K CB 0.542 33.073 32.500 0.053 0.000 0.836 239 K HN 0.208 nan 8.250 nan 0.000 0.500 240 A N 0.420 123.301 122.820 0.101 0.000 2.016 240 A HA 0.238 4.558 4.320 0.001 0.000 0.202 240 A C 2.173 179.847 177.584 0.151 0.000 1.632 240 A CA 0.647 52.750 52.037 0.109 0.000 0.891 240 A CB -0.777 18.305 19.000 0.136 0.000 1.103 240 A HN 0.228 nan 8.150 nan 0.000 0.547 241 G N -0.145 108.776 108.800 0.202 0.000 2.404 241 G HA2 -0.003 3.957 3.960 0.001 0.000 0.214 241 G HA3 -0.003 3.957 3.960 0.001 0.000 0.214 241 G C 1.462 176.563 174.900 0.335 0.000 1.189 241 G CA 1.426 46.717 45.100 0.320 0.000 0.789 241 G HN 0.267 nan 8.290 nan 0.000 0.533 242 V N 2.066 122.112 119.914 0.220 0.000 2.307 242 V HA -0.087 4.033 4.120 0.001 0.000 0.245 242 V C 0.280 176.474 176.094 0.168 0.000 1.045 242 V CA 2.110 64.523 62.300 0.188 0.000 1.024 242 V CB -1.002 30.910 31.823 0.150 0.000 0.651 242 V HN 0.273 nan 8.190 nan 0.000 0.449 243 P HA -0.109 nan 4.420 nan 0.000 0.216 243 P C 1.955 179.320 177.300 0.109 0.000 1.150 243 P CA 1.720 64.886 63.100 0.110 0.000 0.837 243 P CB -0.059 31.688 31.700 0.079 0.000 0.786 244 S N -0.635 115.157 115.700 0.152 0.000 2.371 244 S HA -0.079 4.392 4.470 0.001 0.000 0.224 244 S C 2.055 176.776 174.600 0.202 0.000 1.029 244 S CA 1.188 59.502 58.200 0.189 0.000 0.978 244 S CB -1.032 62.265 63.200 0.162 0.000 0.833 244 S HN 0.131 nan 8.310 nan 0.000 0.466 245 A N 1.626 124.568 122.820 0.203 0.000 1.883 245 A HA -0.083 4.238 4.320 0.001 0.000 0.217 245 A C 2.068 179.469 177.584 -0.304 0.000 1.186 245 A CA 1.324 53.276 52.037 -0.142 0.000 0.624 245 A CB -0.774 18.239 19.000 0.021 0.000 0.822 245 A HN 0.470 nan 8.150 nan 0.000 0.444 246 I N -1.111 119.384 120.570 -0.124 0.000 2.226 246 I HA -0.262 3.908 4.170 0.001 0.000 0.245 246 I C 2.723 178.785 176.117 -0.091 0.000 1.100 246 I CA 1.684 62.894 61.300 -0.149 0.000 1.374 246 I CB -0.268 37.807 38.000 0.125 0.000 1.057 246 I HN 0.375 nan 8.210 nan 0.000 0.413 247 R N 0.583 121.083 120.500 -0.001 0.000 2.091 247 R HA -0.159 4.181 4.340 0.001 0.000 0.238 247 R C 2.263 178.589 176.300 0.044 0.000 1.136 247 R CA 1.625 57.755 56.100 0.050 0.000 0.959 247 R CB -0.153 30.188 30.300 0.067 0.000 0.856 247 R HN 0.166 nan 8.270 nan 0.000 0.437 248 V N 0.948 120.840 119.914 -0.036 0.000 2.358 248 V HA -0.203 3.917 4.120 0.001 0.000 0.246 248 V C 2.486 178.484 176.094 -0.160 0.000 1.047 248 V CA 1.837 64.071 62.300 -0.110 0.000 1.035 248 V CB -0.710 30.928 31.823 -0.307 0.000 0.658 248 V HN 0.546 nan 8.190 nan 0.000 0.452 249 A N -0.083 122.492 122.820 -0.408 0.000 1.908 249 A HA -0.266 4.054 4.320 0.001 0.000 0.218 249 A C 2.382 179.935 177.584 -0.053 0.000 1.181 249 A CA 2.085 53.801 52.037 -0.535 0.000 0.627 249 A CB -0.510 17.502 19.000 -1.647 0.000 0.818 249 A HN 0.509 nan 8.150 nan 0.000 0.445 250 R N -0.532 120.025 120.500 0.094 0.000 2.073 250 R HA -0.118 4.223 4.340 0.001 0.000 0.234 250 R C 2.197 178.572 176.300 0.125 0.000 1.134 250 R CA 1.653 57.891 56.100 0.229 0.000 0.952 250 R CB -0.335 30.085 30.300 0.200 0.000 0.850 250 R HN 0.692 nan 8.270 nan 0.000 0.433 251 E N -0.165 120.084 120.200 0.082 0.000 2.110 251 E HA -0.151 4.200 4.350 0.001 0.000 0.193 251 E C 1.824 178.459 176.600 0.058 0.000 0.988 251 E CA 0.939 57.382 56.400 0.071 0.000 0.804 251 E CB 0.082 29.834 29.700 0.088 0.000 0.745 251 E HN 0.224 nan 8.360 nan 0.000 0.458 252 M N -0.356 119.273 119.600 0.050 0.000 2.476 252 M HA 0.120 4.601 4.480 0.001 0.000 0.262 252 M C 1.539 177.883 176.300 0.073 0.000 1.111 252 M CA 0.900 56.231 55.300 0.051 0.000 1.127 252 M CB -0.770 31.859 32.600 0.048 0.000 1.376 252 M HN 0.162 nan 8.290 nan 0.000 0.465 253 G N 1.713 110.574 108.800 0.102 0.000 2.634 253 G HA2 -0.384 3.577 3.960 0.001 0.000 0.309 253 G HA3 -0.384 3.577 3.960 0.001 0.000 0.309 253 G C 0.438 175.412 174.900 0.123 0.000 1.265 253 G CA 0.911 46.086 45.100 0.125 0.000 0.998 253 G HN 0.420 nan 8.290 nan 0.000 0.551 254 D N 0.491 120.949 120.400 0.097 0.000 2.340 254 D HA 0.167 4.808 4.640 0.001 0.000 0.220 254 D C 2.198 178.541 176.300 0.071 0.000 1.039 254 D CA 0.936 54.989 54.000 0.089 0.000 0.866 254 D CB -0.119 40.724 40.800 0.071 0.000 0.913 254 D HN 0.488 nan 8.370 nan 0.000 0.523 255 K N -0.277 120.162 120.400 0.065 0.000 2.439 255 K HA 0.070 4.390 4.320 0.001 0.000 0.197 255 K C 0.761 177.396 176.600 0.059 0.000 1.041 255 K CA 0.522 56.840 56.287 0.051 0.000 0.970 255 K CB 0.128 32.652 32.500 0.040 0.000 0.773 255 K HN 0.399 nan 8.250 nan 0.000 0.479 256 I N -2.563 118.054 120.570 0.079 0.000 3.002 256 I HA 0.324 4.495 4.170 0.001 0.000 0.310 256 I C -1.141 175.036 176.117 0.099 0.000 1.087 256 I CA -1.325 60.027 61.300 0.088 0.000 1.017 256 I CB 1.602 39.666 38.000 0.106 0.000 1.226 256 I HN -0.247 nan 8.210 nan 0.000 0.443 257 N N 3.050 121.802 118.700 0.087 0.000 2.420 257 N HA 0.188 4.929 4.740 0.001 0.000 0.249 257 N C -0.991 174.580 175.510 0.101 0.000 1.033 257 N CA -0.203 52.901 53.050 0.090 0.000 0.944 257 N CB 0.963 39.482 38.487 0.053 0.000 1.113 257 N HN 0.565 nan 8.380 nan 0.000 0.502 258 F N 3.689 123.601 119.950 -0.062 0.000 2.651 258 F HA 0.183 4.710 4.527 0.001 0.000 0.347 258 F C 0.958 176.673 175.800 -0.142 0.000 1.284 258 F CA -0.819 57.082 58.000 -0.164 0.000 1.175 258 F CB -0.386 38.505 39.000 -0.182 0.000 1.542 258 F HN 0.433 nan 8.300 nan 0.000 0.661 259 L N 3.532 124.629 121.223 -0.210 0.000 2.201 259 L HA 0.123 4.464 4.340 0.001 0.000 0.212 259 L C 1.576 178.239 176.870 -0.345 0.000 1.105 259 L CA 0.942 55.654 54.840 -0.212 0.000 0.775 259 L CB -0.873 41.124 42.059 -0.103 0.000 0.913 259 L HN 0.753 nan 8.230 nan 0.000 0.440 260 G N -0.784 107.638 108.800 -0.631 0.000 2.347 260 G HA2 0.202 4.163 3.960 0.001 0.000 0.224 260 G HA3 0.202 4.163 3.960 0.001 0.000 0.224 260 G C -1.428 173.204 174.900 -0.447 0.000 1.318 260 G CA -0.160 44.529 45.100 -0.684 0.000 1.016 260 G HN 0.054 nan 8.290 nan 0.000 0.469 261 V N -2.296 117.478 119.914 -0.234 0.000 2.925 261 V HA 0.931 5.051 4.120 0.001 0.000 0.311 261 V C -0.418 175.599 176.094 -0.128 0.000 1.104 261 V CA -0.888 61.319 62.300 -0.156 0.000 0.954 261 V CB 1.882 33.697 31.823 -0.013 0.000 1.022 261 V HN 1.112 nan 8.190 nan 0.000 0.427 262 R N 2.985 123.374 120.500 -0.184 0.000 2.514 262 R HA 0.824 5.165 4.340 0.001 0.000 0.301 262 R C -1.425 174.838 176.300 -0.062 0.000 0.962 262 R CA -0.797 55.228 56.100 -0.125 0.000 0.882 262 R CB 1.665 31.820 30.300 -0.241 0.000 1.143 262 R HN 0.912 nan 8.270 nan 0.000 0.452 263 I N 3.094 123.654 120.570 -0.017 0.000 2.447 263 I HA 0.201 4.371 4.170 0.001 0.000 0.287 263 I C -0.495 175.641 176.117 0.032 0.000 1.023 263 I CA -0.509 60.801 61.300 0.017 0.000 1.083 263 I CB 2.092 40.105 38.000 0.022 0.000 1.245 263 I HN 0.618 nan 8.210 nan 0.000 0.434 264 D N 3.653 124.091 120.400 0.065 0.000 2.462 264 D HA 0.168 4.809 4.640 0.001 0.000 0.221 264 D C -0.195 176.154 176.300 0.082 0.000 1.173 264 D CA 0.208 54.258 54.000 0.084 0.000 0.831 264 D CB 0.631 41.507 40.800 0.127 0.000 1.001 264 D HN 0.625 nan 8.370 nan 0.000 0.499 265 S N -2.199 113.542 115.700 0.068 0.000 2.595 265 S HA 0.713 5.184 4.470 0.001 0.000 0.270 265 S C 0.051 174.684 174.600 0.055 0.000 1.145 265 S CA -0.283 57.950 58.200 0.054 0.000 0.825 265 S CB 1.372 64.597 63.200 0.041 0.000 1.107 265 S HN 0.512 nan 8.310 nan 0.000 0.461 266 G N 0.729 109.559 108.800 0.050 0.000 2.592 266 G HA2 0.137 4.097 3.960 0.001 0.000 0.684 266 G HA3 0.137 4.097 3.960 0.001 0.000 0.684 266 G C -1.376 173.570 174.900 0.077 0.000 1.291 266 G CA -0.281 44.854 45.100 0.058 0.000 0.891 266 G HN 1.034 nan 8.290 nan 0.000 0.544 267 D N 0.964 121.426 120.400 0.103 0.000 2.352 267 D HA 0.336 4.977 4.640 0.001 0.000 0.245 267 D C 1.898 178.305 176.300 0.179 0.000 1.224 267 D CA -0.530 53.569 54.000 0.167 0.000 0.879 267 D CB 0.611 41.574 40.800 0.271 0.000 1.057 267 D HN 0.288 nan 8.370 nan 0.000 0.491 268 M N 2.687 122.357 119.600 0.117 0.000 2.296 268 M HA -0.086 4.395 4.480 0.001 0.000 0.265 268 M C 1.811 178.140 176.300 0.048 0.000 1.064 268 M CA 0.580 55.926 55.300 0.077 0.000 1.109 268 M CB -0.871 31.767 32.600 0.064 0.000 1.396 268 M HN 0.477 nan 8.290 nan 0.000 0.430 269 A N -1.383 121.449 122.820 0.021 0.000 2.119 269 A HA -0.114 4.207 4.320 0.001 0.000 0.217 269 A C 1.627 179.050 177.584 -0.268 0.000 1.153 269 A CA 1.032 52.989 52.037 -0.134 0.000 0.692 269 A CB -0.516 18.349 19.000 -0.225 0.000 0.799 269 A HN 0.469 nan 8.150 nan 0.000 0.458 270 Y N -1.203 119.112 120.300 0.025 0.000 2.382 270 Y HA 0.148 4.699 4.550 0.001 0.000 0.292 270 Y C 2.231 178.144 175.900 0.022 0.000 1.151 270 Y CA 0.034 58.147 58.100 0.023 0.000 1.198 270 Y CB -0.135 38.339 38.460 0.023 0.000 1.195 270 Y HN 0.067 nan 8.280 nan 0.000 0.530 271 I N 0.497 121.181 120.570 0.190 0.000 2.118 271 I HA -0.341 3.830 4.170 0.001 0.000 0.241 271 I C 2.526 178.685 176.117 0.069 0.000 1.070 271 I CA 2.301 63.669 61.300 0.114 0.000 1.327 271 I CB -1.433 36.623 38.000 0.093 0.000 1.034 271 I HN 0.320 nan 8.210 nan 0.000 0.405 272 S N 0.509 116.232 115.700 0.039 0.000 2.402 272 S HA -0.163 4.307 4.470 0.001 0.000 0.229 272 S C 1.920 176.523 174.600 0.005 0.000 1.021 272 S CA 0.781 58.982 58.200 0.002 0.000 0.974 272 S CB -0.329 62.848 63.200 -0.038 0.000 0.800 272 S HN 0.419 nan 8.310 nan 0.000 0.484 273 K N 0.761 121.168 120.400 0.013 0.000 2.057 273 K HA -0.010 4.311 4.320 0.001 0.000 0.207 273 K C 2.526 179.146 176.600 0.035 0.000 1.049 273 K CA 1.398 57.693 56.287 0.013 0.000 0.931 273 K CB -0.187 32.315 32.500 0.004 0.000 0.714 273 K HN 0.256 nan 8.250 nan 0.000 0.440 274 R N 1.232 121.765 120.500 0.056 0.000 2.090 274 R HA -0.048 4.293 4.340 0.001 0.000 0.228 274 R C 1.888 178.224 176.300 0.060 0.000 1.110 274 R CA 1.022 57.159 56.100 0.062 0.000 0.973 274 R CB -0.575 29.770 30.300 0.075 0.000 0.869 274 R HN -0.056 nan 8.270 nan 0.000 0.440 275 V N 0.953 120.901 119.914 0.057 0.000 2.343 275 V HA -0.229 3.892 4.120 0.001 0.000 0.247 275 V C 2.429 178.557 176.094 0.056 0.000 1.051 275 V CA 2.144 64.480 62.300 0.060 0.000 1.036 275 V CB -0.587 31.267 31.823 0.051 0.000 0.654 275 V HN 0.300 nan 8.190 nan 0.000 0.451 276 R N 0.688 121.208 120.500 0.034 0.000 2.096 276 R HA -0.206 4.135 4.340 0.001 0.000 0.240 276 R C 2.152 178.480 176.300 0.046 0.000 1.139 276 R CA 2.139 58.255 56.100 0.027 0.000 0.952 276 R CB -0.586 29.718 30.300 0.006 0.000 0.854 276 R HN 0.622 nan 8.270 nan 0.000 0.436 277 E N -0.130 120.098 120.200 0.046 0.000 2.058 277 E HA -0.269 4.082 4.350 0.001 0.000 0.194 277 E C 2.179 178.822 176.600 0.071 0.000 0.997 277 E CA 1.759 58.190 56.400 0.052 0.000 0.801 277 E CB -0.102 29.627 29.700 0.047 0.000 0.746 277 E HN 0.514 nan 8.360 nan 0.000 0.450 278 Q N 0.282 120.132 119.800 0.083 0.000 2.061 278 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 278 Q C 2.417 178.508 176.000 0.152 0.000 0.984 278 Q CA 1.222 57.090 55.803 0.108 0.000 0.846 278 Q CB -0.164 28.640 28.738 0.110 0.000 0.902 278 Q HN 0.315 nan 8.270 nan 0.000 0.421 279 L N 0.619 121.940 121.223 0.165 0.000 2.017 279 L HA -0.231 4.109 4.340 0.001 0.000 0.208 279 L C 1.954 178.957 176.870 0.222 0.000 1.073 279 L CA 1.091 56.079 54.840 0.246 0.000 0.745 279 L CB -0.490 41.678 42.059 0.182 0.000 0.894 279 L HN 0.184 nan 8.230 nan 0.000 0.432 280 D N 0.062 120.538 120.400 0.127 0.000 2.097 280 D HA -0.185 4.455 4.640 0.001 0.000 0.195 280 D C 2.140 178.476 176.300 0.060 0.000 0.989 280 D CA 1.193 55.241 54.000 0.080 0.000 0.827 280 D CB -0.108 40.722 40.800 0.049 0.000 0.966 280 D HN 0.359 nan 8.370 nan 0.000 0.456 281 E N 0.111 120.352 120.200 0.068 0.000 2.204 281 E HA -0.057 4.294 4.350 0.001 0.000 0.195 281 E C 1.770 178.399 176.600 0.047 0.000 0.990 281 E CA 0.796 57.225 56.400 0.049 0.000 0.821 281 E CB 0.024 29.756 29.700 0.054 0.000 0.750 281 E HN 0.183 nan 8.360 nan 0.000 0.477 282 A N -0.092 122.785 122.820 0.094 0.000 2.208 282 A HA 0.227 4.548 4.320 0.001 0.000 0.209 282 A C 1.698 179.214 177.584 -0.114 0.000 1.161 282 A CA 0.865 52.958 52.037 0.093 0.000 0.782 282 A CB -0.114 19.066 19.000 0.300 0.000 0.816 282 A HN 0.330 nan 8.150 nan 0.000 0.477 283 G N -2.202 106.521 108.800 -0.128 0.000 2.144 283 G HA2 -0.213 3.748 3.960 0.001 0.000 0.218 283 G HA3 -0.213 3.748 3.960 0.001 0.000 0.218 283 G C -0.056 174.608 174.900 -0.393 0.000 0.988 283 G CA 0.074 45.002 45.100 -0.286 0.000 0.659 283 G HN 0.403 nan 8.290 nan 0.000 0.522 284 F N 2.266 122.281 119.950 0.108 0.000 2.461 284 F HA 0.397 4.925 4.527 0.001 0.000 0.321 284 F C 1.816 177.643 175.800 0.044 0.000 1.203 284 F CA 0.158 58.233 58.000 0.125 0.000 1.238 284 F CB 0.635 39.802 39.000 0.279 0.000 1.528 284 F HN 0.130 nan 8.300 nan 0.000 0.554 285 T N -4.089 110.533 114.554 0.114 0.000 3.113 285 T HA 0.018 4.368 4.350 0.001 0.000 0.256 285 T C 1.156 175.878 174.700 0.036 0.000 1.131 285 T CA 0.676 62.811 62.100 0.058 0.000 1.074 285 T CB -0.088 68.794 68.868 0.023 0.000 0.944 285 T HN 0.456 nan 8.240 nan 0.000 0.516 286 E N 0.829 121.060 120.200 0.052 0.000 2.476 286 E HA 0.408 4.759 4.350 0.001 0.000 0.199 286 E C 0.731 177.300 176.600 -0.052 0.000 1.021 286 E CA -0.293 56.112 56.400 0.008 0.000 0.907 286 E CB 0.447 30.162 29.700 0.025 0.000 0.974 286 E HN 0.625 nan 8.360 nan 0.000 0.489 287 A N 1.987 124.757 122.820 -0.082 0.000 2.450 287 A HA 0.170 4.491 4.320 0.001 0.000 0.255 287 A C 0.041 177.491 177.584 -0.224 0.000 1.096 287 A CA 0.090 51.931 52.037 -0.328 0.000 0.778 287 A CB 0.309 18.925 19.000 -0.639 0.000 1.031 287 A HN -0.025 nan 8.150 nan 0.000 0.494 288 K N 1.302 121.578 120.400 -0.207 0.000 2.106 288 K HA 0.608 4.928 4.320 0.001 0.000 0.246 288 K C -0.928 175.620 176.600 -0.086 0.000 0.987 288 K CA -0.367 55.831 56.287 -0.149 0.000 0.904 288 K CB 1.492 33.877 32.500 -0.191 0.000 1.071 288 K HN 0.648 nan 8.250 nan 0.000 0.453 289 I N 2.428 122.914 120.570 -0.142 0.000 2.339 289 I HA 0.225 4.395 4.170 0.001 0.000 0.290 289 I C -0.916 175.088 176.117 -0.188 0.000 0.994 289 I CA -0.665 60.576 61.300 -0.098 0.000 1.191 289 I CB 0.677 38.601 38.000 -0.127 0.000 1.343 289 I HN 0.423 nan 8.210 nan 0.000 0.458 290 Y N 4.904 125.043 120.300 -0.268 0.000 2.328 290 Y HA 0.663 5.214 4.550 0.001 0.000 0.337 290 Y C 0.459 176.207 175.900 -0.254 0.000 1.008 290 Y CA -0.839 57.092 58.100 -0.283 0.000 1.129 290 Y CB 1.730 40.069 38.460 -0.201 0.000 1.185 290 Y HN 0.599 nan 8.280 nan 0.000 0.476 291 A N 1.284 123.982 122.820 -0.204 0.000 2.355 291 A HA 0.669 4.990 4.320 0.001 0.000 0.324 291 A C 0.196 177.783 177.584 0.004 0.000 1.117 291 A CA -0.261 51.705 52.037 -0.119 0.000 0.785 291 A CB 0.978 19.845 19.000 -0.222 0.000 1.254 291 A HN 0.819 nan 8.150 nan 0.000 0.453 292 S N 0.217 115.956 115.700 0.066 0.000 2.661 292 S HA 0.137 4.607 4.470 0.001 0.000 0.275 292 S C 0.006 174.670 174.600 0.107 0.000 1.075 292 S CA -0.150 58.118 58.200 0.112 0.000 1.251 292 S CB -0.417 62.880 63.200 0.161 0.000 1.167 292 S HN 0.636 nan 8.310 nan 0.000 0.648 293 N N 2.908 121.661 118.700 0.089 0.000 2.419 293 N HA 0.375 5.116 4.740 0.001 0.000 0.264 293 N C -0.707 174.837 175.510 0.056 0.000 1.031 293 N CA 0.322 53.414 53.050 0.070 0.000 0.951 293 N CB 0.615 39.139 38.487 0.061 0.000 1.101 293 N HN 0.168 nan 8.380 nan 0.000 0.488 294 D N 2.032 122.448 120.400 0.028 0.000 2.705 294 D HA -0.192 4.449 4.640 0.001 0.000 0.240 294 D C -1.270 175.024 176.300 -0.010 0.000 1.137 294 D CA 0.699 54.693 54.000 -0.010 0.000 0.677 294 D CB -1.075 39.716 40.800 -0.016 0.000 1.049 294 D HN 0.485 nan 8.370 nan 0.000 0.427 295 L N 1.027 122.249 121.223 -0.002 0.000 2.317 295 L HA 0.625 4.966 4.340 0.001 0.000 0.281 295 L C 0.576 177.400 176.870 -0.075 0.000 1.024 295 L CA -0.731 54.105 54.840 -0.007 0.000 0.810 295 L CB 1.555 43.652 42.059 0.063 0.000 1.240 295 L HN 0.219 nan 8.230 nan 0.000 0.427 296 D N 0.310 120.639 120.400 -0.120 0.000 2.825 296 D HA 0.091 4.731 4.640 0.001 0.000 0.327 296 D C 0.447 176.622 176.300 -0.209 0.000 1.277 296 D CA -0.614 53.288 54.000 -0.164 0.000 0.950 296 D CB 0.407 41.116 40.800 -0.150 0.000 1.438 296 D HN 0.452 nan 8.370 nan 0.000 0.526 297 E N 0.621 120.685 120.200 -0.226 0.000 2.209 297 E HA -0.221 4.130 4.350 0.001 0.000 0.196 297 E C 0.642 177.130 176.600 -0.187 0.000 0.993 297 E CA 1.385 57.646 56.400 -0.231 0.000 0.819 297 E CB -0.663 28.903 29.700 -0.224 0.000 0.745 297 E HN 0.550 nan 8.360 nan 0.000 0.477 298 N N 0.826 119.438 118.700 -0.145 0.000 2.173 298 N HA -0.099 4.642 4.740 0.001 0.000 0.184 298 N C 2.021 177.472 175.510 -0.099 0.000 1.025 298 N CA 2.170 55.159 53.050 -0.102 0.000 0.852 298 N CB -0.261 38.185 38.487 -0.068 0.000 0.998 298 N HN 0.399 nan 8.380 nan 0.000 0.427 299 T N -0.493 114.001 114.554 -0.099 0.000 2.857 299 T HA 0.029 4.380 4.350 0.001 0.000 0.266 299 T C 1.901 176.540 174.700 -0.101 0.000 1.048 299 T CA 0.655 62.714 62.100 -0.070 0.000 1.139 299 T CB -0.506 68.339 68.868 -0.039 0.000 0.874 299 T HN 0.098 nan 8.240 nan 0.000 0.455 300 I N 0.671 121.109 120.570 -0.221 0.000 2.142 300 I HA -0.083 4.088 4.170 0.001 0.000 0.240 300 I C 2.481 178.387 176.117 -0.351 0.000 1.078 300 I CA 0.979 62.000 61.300 -0.465 0.000 1.343 300 I CB -0.477 37.032 38.000 -0.818 0.000 1.046 300 I HN 0.183 nan 8.210 nan 0.000 0.405 301 L N 1.446 122.514 121.223 -0.258 0.000 2.013 301 L HA -0.283 4.058 4.340 0.001 0.000 0.212 301 L C 2.179 178.992 176.870 -0.095 0.000 1.073 301 L CA 2.141 56.882 54.840 -0.165 0.000 0.753 301 L CB -1.065 40.920 42.059 -0.123 0.000 0.890 301 L HN 0.270 nan 8.230 nan 0.000 0.432 302 N N -0.691 117.964 118.700 -0.074 0.000 2.069 302 N HA -0.220 4.520 4.740 0.001 0.000 0.191 302 N C 1.877 177.377 175.510 -0.016 0.000 1.031 302 N CA 2.024 55.051 53.050 -0.037 0.000 0.852 302 N CB -0.372 38.100 38.487 -0.025 0.000 1.018 302 N HN 0.443 nan 8.380 nan 0.000 0.423 303 L N 0.230 121.457 121.223 0.006 0.000 2.012 303 L HA -0.200 4.141 4.340 0.001 0.000 0.210 303 L C 2.348 179.271 176.870 0.088 0.000 1.073 303 L CA 1.415 56.300 54.840 0.075 0.000 0.748 303 L CB -0.358 41.824 42.059 0.205 0.000 0.891 303 L HN 0.238 nan 8.230 nan 0.000 0.431 304 K N -0.530 119.916 120.400 0.076 0.000 2.057 304 K HA -0.153 4.168 4.320 0.001 0.000 0.207 304 K C 2.101 178.714 176.600 0.023 0.000 1.049 304 K CA 1.433 57.766 56.287 0.078 0.000 0.931 304 K CB -0.156 32.366 32.500 0.035 0.000 0.714 304 K HN 0.260 nan 8.250 nan 0.000 0.440 305 M N 0.632 120.228 119.600 -0.005 0.000 2.319 305 M HA -0.108 4.373 4.480 0.001 0.000 0.265 305 M C 1.420 177.709 176.300 -0.019 0.000 1.068 305 M CA 1.035 56.326 55.300 -0.014 0.000 1.118 305 M CB 0.169 32.757 32.600 -0.021 0.000 1.395 305 M HN 0.010 nan 8.290 nan 0.000 0.435 306 Q N 0.938 120.723 119.800 -0.025 0.000 2.515 306 Q HA -0.005 4.336 4.340 0.001 0.000 0.212 306 Q C 0.059 176.025 176.000 -0.058 0.000 0.970 306 Q CA 0.571 56.341 55.803 -0.054 0.000 0.941 306 Q CB -0.260 28.427 28.738 -0.085 0.000 0.998 306 Q HN 0.469 nan 8.270 nan 0.000 0.518 307 K N -0.061 120.324 120.400 -0.026 0.000 3.117 307 K HA -0.106 4.215 4.320 0.001 0.000 0.269 307 K C -0.454 176.131 176.600 -0.025 0.000 1.098 307 K CA 0.305 56.580 56.287 -0.020 0.000 0.785 307 K CB -2.049 30.435 32.500 -0.027 0.000 1.242 307 K HN 0.087 nan 8.250 nan 0.000 0.491 308 S N 1.261 116.955 115.700 -0.009 0.000 2.573 308 S HA 0.067 4.537 4.470 0.001 0.000 0.277 308 S C 0.731 175.324 174.600 -0.011 0.000 1.346 308 S CA -0.289 57.906 58.200 -0.008 0.000 1.034 308 S CB 0.597 63.822 63.200 0.041 0.000 0.879 308 S HN 0.092 nan 8.310 nan 0.000 0.528 309 K N 2.359 122.734 120.400 -0.042 0.000 2.805 309 K HA 0.394 4.714 4.320 0.001 0.000 0.227 309 K C -0.771 175.748 176.600 -0.134 0.000 1.207 309 K CA 0.091 56.341 56.287 -0.063 0.000 1.153 309 K CB -0.270 32.203 32.500 -0.046 0.000 1.688 309 K HN 0.475 nan 8.250 nan 0.000 0.467 310 I N 0.657 121.108 120.570 -0.197 0.000 2.404 310 I HA 0.178 4.349 4.170 0.001 0.000 0.293 310 I C 0.691 176.508 176.117 -0.500 0.000 0.992 310 I CA -0.319 60.708 61.300 -0.457 0.000 1.149 310 I CB 1.764 39.264 38.000 -0.834 0.000 1.315 310 I HN 0.170 nan 8.210 nan 0.000 0.446 311 D N 4.517 124.589 120.400 -0.547 0.000 2.423 311 D HA 0.163 4.804 4.640 0.001 0.000 0.212 311 D C -0.037 175.911 176.300 -0.586 0.000 1.060 311 D CA 0.831 54.565 54.000 -0.442 0.000 0.872 311 D CB 1.520 42.114 40.800 -0.343 0.000 1.012 311 D HN 0.149 nan 8.370 nan 0.000 0.503 312 V N 0.839 120.220 119.914 -0.889 0.000 2.808 312 V HA 0.306 4.427 4.120 0.001 0.000 0.308 312 V C -1.678 173.940 176.094 -0.793 0.000 1.099 312 V CA -0.927 60.904 62.300 -0.781 0.000 0.920 312 V CB 2.376 33.536 31.823 -1.104 0.000 1.014 312 V HN 0.007 nan 8.190 nan 0.000 0.425 313 W N 2.117 123.268 121.300 -0.249 0.000 2.336 313 W HA 0.688 5.349 4.660 0.001 0.000 0.315 313 W C 0.559 176.903 176.519 -0.291 0.000 1.016 313 W CA -0.675 56.548 57.345 -0.205 0.000 1.318 313 W CB 1.898 31.258 29.460 -0.167 0.000 1.247 313 W HN 0.756 nan 8.180 nan 0.000 0.414 314 G N 2.471 111.191 108.800 -0.133 0.000 2.404 314 G HA2 0.476 4.437 3.960 0.001 0.000 0.316 314 G HA3 0.476 4.437 3.960 0.001 0.000 0.316 314 G C -0.989 173.827 174.900 -0.139 0.000 1.074 314 G CA -0.414 44.409 45.100 -0.461 0.000 0.989 314 G HN 0.295 nan 8.290 nan 0.000 0.430 315 V N 2.951 122.782 119.914 -0.137 0.000 2.394 315 V HA 0.668 4.789 4.120 0.001 0.000 0.282 315 V C 1.033 177.161 176.094 0.056 0.000 1.031 315 V CA 0.311 62.604 62.300 -0.012 0.000 0.881 315 V CB 1.130 32.928 31.823 -0.042 0.000 0.982 315 V HN 0.760 nan 8.190 nan 0.000 0.451 316 G N 2.651 111.500 108.800 0.082 0.000 2.968 316 G HA2 0.108 4.069 3.960 0.001 0.000 0.206 316 G HA3 0.108 4.069 3.960 0.001 0.000 0.206 316 G C 1.212 176.158 174.900 0.077 0.000 2.051 316 G CA 0.848 46.015 45.100 0.112 0.000 0.773 316 G HN 0.527 nan 8.290 nan 0.000 0.741 317 T N 1.405 115.996 114.554 0.061 0.000 2.653 317 T HA -0.125 4.226 4.350 0.001 0.000 0.268 317 T C 2.273 177.027 174.700 0.089 0.000 1.035 317 T CA 1.615 63.760 62.100 0.076 0.000 1.154 317 T CB -0.165 68.721 68.868 0.030 0.000 0.862 317 T HN 0.151 nan 8.240 nan 0.000 0.441 318 K N 0.423 120.831 120.400 0.013 0.000 2.217 318 K HA 0.097 4.418 4.320 0.001 0.000 0.202 318 K C 2.207 178.816 176.600 0.014 0.000 1.051 318 K CA 0.502 56.798 56.287 0.016 0.000 0.952 318 K CB -0.403 32.045 32.500 -0.088 0.000 0.736 318 K HN 0.246 nan 8.250 nan 0.000 0.453 319 L N 1.102 122.318 121.223 -0.011 0.000 2.049 319 L HA -0.021 4.319 4.340 0.001 0.000 0.203 319 L C 2.057 178.938 176.870 0.018 0.000 1.074 319 L CA 1.330 56.145 54.840 -0.042 0.000 0.749 319 L CB -0.601 41.426 42.059 -0.053 0.000 0.907 319 L HN -0.030 nan 8.230 nan 0.000 0.439 320 I N -0.278 120.339 120.570 0.079 0.000 2.546 320 I HA -0.166 4.005 4.170 0.001 0.000 0.255 320 I C 1.992 178.247 176.117 0.229 0.000 1.163 320 I CA 1.755 63.141 61.300 0.142 0.000 1.457 320 I CB -0.423 37.674 38.000 0.162 0.000 1.092 320 I HN 0.604 nan 8.210 nan 0.000 0.434 321 T N -1.594 113.082 114.554 0.203 0.000 3.086 321 T HA 0.421 4.772 4.350 0.001 0.000 0.250 321 T C 1.113 175.935 174.700 0.204 0.000 1.074 321 T CA 0.168 62.406 62.100 0.230 0.000 0.988 321 T CB -0.364 68.628 68.868 0.206 0.000 0.988 321 T HN 0.540 nan 8.240 nan 0.000 0.530 322 A N 0.645 123.562 122.820 0.162 0.000 2.560 322 A HA -0.267 4.054 4.320 0.001 0.000 0.299 322 A C 0.731 178.447 177.584 0.220 0.000 1.484 322 A CA 0.958 53.100 52.037 0.176 0.000 0.749 322 A CB -2.910 16.262 19.000 0.288 0.000 1.072 322 A HN 0.803 nan 8.150 nan 0.000 0.426 323 Y N 1.215 121.548 120.300 0.055 0.000 2.207 323 Y HA -0.280 4.271 4.550 0.001 0.000 0.287 323 Y C 2.071 178.012 175.900 0.069 0.000 1.156 323 Y CA 2.680 60.813 58.100 0.055 0.000 1.182 323 Y CB 0.077 38.551 38.460 0.023 0.000 0.979 323 Y HN 0.761 nan 8.280 nan 0.000 0.521 324 D N -0.436 120.133 120.400 0.281 0.000 2.317 324 D HA -0.147 4.494 4.640 0.001 0.000 0.211 324 D C 0.492 176.896 176.300 0.173 0.000 0.966 324 D CA 0.755 54.886 54.000 0.219 0.000 0.876 324 D CB -0.186 40.728 40.800 0.191 0.000 0.927 324 D HN 0.476 nan 8.370 nan 0.000 0.519 325 Q N 0.304 120.232 119.800 0.214 0.000 3.891 325 Q HA 0.145 4.486 4.340 0.001 0.000 0.190 325 Q C -2.567 173.469 176.000 0.059 0.000 0.886 325 Q CA -1.082 54.777 55.803 0.094 0.000 0.747 325 Q CB 1.756 30.498 28.738 0.007 0.000 1.476 325 Q HN -0.035 nan 8.270 nan 0.000 0.452 326 P HA 0.151 nan 4.420 nan 0.000 0.258 326 P C -0.504 176.811 177.300 0.024 0.000 1.403 326 P CA 0.382 63.506 63.100 0.041 0.000 0.826 326 P CB 0.118 31.814 31.700 -0.008 0.000 1.414 327 A N -0.274 122.525 122.820 -0.035 0.000 2.520 327 A HA 0.424 4.745 4.320 0.001 0.000 0.298 327 A C 0.166 177.664 177.584 -0.144 0.000 1.051 327 A CA -0.511 51.493 52.037 -0.055 0.000 0.690 327 A CB 0.822 19.796 19.000 -0.044 0.000 1.281 327 A HN 0.026 nan 8.150 nan 0.000 0.402 328 L N 2.303 123.424 121.223 -0.169 0.000 2.202 328 L HA 0.425 4.765 4.340 0.001 0.000 0.205 328 L C 1.574 178.317 176.870 -0.213 0.000 1.083 328 L CA 2.499 57.162 54.840 -0.296 0.000 0.790 328 L CB -0.182 41.680 42.059 -0.329 0.000 0.942 328 L HN 1.868 nan 8.230 nan 0.000 0.452 329 G N -0.635 108.097 108.800 -0.112 0.000 2.149 329 G HA2 -0.176 3.785 3.960 0.001 0.000 0.235 329 G HA3 -0.176 3.785 3.960 0.001 0.000 0.235 329 G C 0.449 175.330 174.900 -0.031 0.000 1.018 329 G CA 0.240 45.304 45.100 -0.059 0.000 0.728 329 G HN 0.845 nan 8.290 nan 0.000 0.508 330 A N -0.744 122.063 122.820 -0.022 0.000 2.425 330 A HA 0.801 5.122 4.320 0.001 0.000 0.249 330 A C 0.814 178.346 177.584 -0.086 0.000 1.084 330 A CA 0.510 52.534 52.037 -0.021 0.000 0.781 330 A CB 0.858 19.887 19.000 0.048 0.000 1.019 330 A HN 1.971 nan 8.150 nan 0.000 0.490 331 V N -0.897 118.885 119.914 -0.219 0.000 3.102 331 V HA 0.842 4.962 4.120 0.001 0.000 0.312 331 V C -0.798 175.237 176.094 -0.098 0.000 1.135 331 V CA -0.980 61.239 62.300 -0.135 0.000 1.022 331 V CB 1.807 33.510 31.823 -0.200 0.000 1.056 331 V HN 0.768 nan 8.190 nan 0.000 0.436 332 F N 1.850 121.829 119.950 0.049 0.000 2.507 332 F HA 0.771 5.299 4.527 0.001 0.000 0.328 332 F C -0.045 175.917 175.800 0.269 0.000 1.136 332 F CA -0.476 57.625 58.000 0.168 0.000 0.930 332 F CB 1.734 40.826 39.000 0.153 0.000 1.166 332 F HN 0.436 nan 8.300 nan 0.000 0.436 333 K N 5.088 125.838 120.400 0.583 0.000 2.371 333 K HA 0.413 4.734 4.320 0.001 0.000 0.251 333 K C -1.433 175.276 176.600 0.181 0.000 0.934 333 K CA -1.044 55.471 56.287 0.380 0.000 0.798 333 K CB 2.685 35.367 32.500 0.304 0.000 1.204 333 K HN 0.598 nan 8.250 nan 0.000 0.427 334 L N 3.463 124.576 121.223 -0.184 0.000 2.361 334 L HA 0.100 4.440 4.340 0.001 0.000 0.278 334 L C 0.723 177.409 176.870 -0.306 0.000 1.113 334 L CA 0.242 54.628 54.840 -0.755 0.000 0.849 334 L CB 0.690 42.257 42.059 -0.819 0.000 1.155 334 L HN 0.531 nan 8.230 nan 0.000 0.452 335 V N 0.873 120.636 119.914 -0.252 0.000 3.570 335 V HA 0.454 4.575 4.120 0.001 0.000 0.257 335 V C 0.624 176.660 176.094 -0.097 0.000 1.272 335 V CA 0.573 62.804 62.300 -0.115 0.000 1.079 335 V CB 0.062 31.851 31.823 -0.057 0.000 0.829 335 V HN 0.742 nan 8.190 nan 0.000 0.454 336 S N -0.315 115.301 115.700 -0.140 0.000 2.535 336 S HA 0.776 5.247 4.470 0.001 0.000 0.272 336 S C -1.775 172.750 174.600 -0.126 0.000 1.149 336 S CA -0.390 57.758 58.200 -0.087 0.000 0.888 336 S CB 2.055 65.232 63.200 -0.038 0.000 1.110 336 S HN 0.497 nan 8.310 nan 0.000 0.463 337 I N 2.739 123.262 120.570 -0.079 0.000 2.752 337 I HA 0.457 4.627 4.170 0.001 0.000 0.295 337 I C -0.465 175.639 176.117 -0.021 0.000 1.219 337 I CA -0.477 60.776 61.300 -0.077 0.000 1.030 337 I CB 2.140 40.081 38.000 -0.098 0.000 1.259 337 I HN 0.799 nan 8.210 nan 0.000 0.423 338 E N 4.629 124.830 120.200 0.003 0.000 2.415 338 E HA 0.359 4.710 4.350 0.001 0.000 0.260 338 E C 0.050 176.651 176.600 0.001 0.000 1.016 338 E CA 0.169 56.583 56.400 0.024 0.000 0.924 338 E CB 0.474 30.204 29.700 0.051 0.000 0.961 338 E HN 0.825 nan 8.360 nan 0.000 0.459 339 G N 3.579 112.383 108.800 0.006 0.000 2.588 339 G HA2 -0.026 3.934 3.960 0.001 0.000 0.281 339 G HA3 -0.026 3.934 3.960 0.001 0.000 0.281 339 G C 0.417 175.317 174.900 0.000 0.000 1.236 339 G CA -0.342 44.759 45.100 0.003 0.000 0.969 339 G HN 0.744 nan 8.290 nan 0.000 0.504 340 E N -0.125 120.075 120.200 -0.000 0.000 2.118 340 E HA -0.169 4.181 4.350 0.001 0.000 0.195 340 E C 1.836 178.435 176.600 -0.002 0.000 0.992 340 E CA 1.421 57.819 56.400 -0.003 0.000 0.804 340 E CB 0.060 29.759 29.700 -0.002 0.000 0.741 340 E HN 0.645 nan 8.360 nan 0.000 0.458 341 D N -0.874 119.527 120.400 0.002 0.000 2.378 341 D HA -0.035 4.606 4.640 0.001 0.000 0.227 341 D C 1.294 177.594 176.300 0.000 0.000 1.012 341 D CA 0.912 54.914 54.000 0.002 0.000 0.905 341 D CB 0.014 40.818 40.800 0.007 0.000 0.895 341 D HN 0.268 nan 8.370 nan 0.000 0.532 342 G N -0.593 108.206 108.800 -0.001 0.000 2.199 342 G HA2 -0.300 3.660 3.960 0.001 0.000 0.254 342 G HA3 -0.300 3.660 3.960 0.001 0.000 0.254 342 G C 0.113 175.010 174.900 -0.005 0.000 0.982 342 G CA 0.093 45.189 45.100 -0.007 0.000 0.632 342 G HN 0.483 nan 8.290 nan 0.000 0.529 343 Q N 0.293 120.098 119.800 0.008 0.000 2.230 343 Q HA 0.594 4.935 4.340 0.001 0.000 0.248 343 Q C 0.613 176.630 176.000 0.029 0.000 0.915 343 Q CA -0.786 55.029 55.803 0.019 0.000 0.900 343 Q CB 0.721 29.478 28.738 0.032 0.000 1.229 343 Q HN 0.242 nan 8.270 nan 0.000 0.439 344 M N 2.056 121.679 119.600 0.039 0.000 2.239 344 M HA 0.163 4.643 4.480 0.001 0.000 0.348 344 M C -0.361 175.975 176.300 0.059 0.000 1.239 344 M CA 0.478 55.807 55.300 0.048 0.000 1.114 344 M CB -0.012 32.617 32.600 0.048 0.000 1.641 344 M HN 0.204 nan 8.290 nan 0.000 0.453 345 K N 2.012 122.436 120.400 0.041 0.000 2.376 345 K HA 0.345 4.666 4.320 0.001 0.000 0.257 345 K C -1.111 175.510 176.600 0.035 0.000 0.939 345 K CA -0.795 55.518 56.287 0.043 0.000 0.809 345 K CB 1.300 33.814 32.500 0.023 0.000 1.121 345 K HN 0.473 nan 8.250 nan 0.000 0.425 346 D N 2.002 122.439 120.400 0.063 0.000 2.493 346 D HA 0.028 4.669 4.640 0.001 0.000 0.240 346 D C 0.185 176.493 176.300 0.013 0.000 1.142 346 D CA 0.732 54.761 54.000 0.048 0.000 0.872 346 D CB 0.605 41.464 40.800 0.098 0.000 1.173 346 D HN 0.477 nan 8.370 nan 0.000 0.467 347 T N -0.373 114.171 114.554 -0.016 0.000 2.885 347 T HA 0.758 5.108 4.350 0.001 0.000 0.285 347 T C -0.126 174.558 174.700 -0.026 0.000 1.019 347 T CA -0.892 61.191 62.100 -0.029 0.000 1.010 347 T CB 1.447 70.278 68.868 -0.062 0.000 1.022 347 T HN 0.291 nan 8.240 nan 0.000 0.466 348 I N 0.659 121.220 120.570 -0.016 0.000 2.865 348 I HA 0.581 4.751 4.170 0.001 0.000 0.302 348 I C -1.123 174.995 176.117 0.002 0.000 1.140 348 I CA -0.974 60.319 61.300 -0.011 0.000 1.021 348 I CB 2.339 40.329 38.000 -0.017 0.000 1.233 348 I HN 0.787 nan 8.210 nan 0.000 0.427 349 K N 7.177 127.584 120.400 0.012 0.000 2.244 349 K HA 0.526 4.847 4.320 0.001 0.000 0.260 349 K C -1.504 175.106 176.600 0.017 0.000 0.951 349 K CA -0.639 55.662 56.287 0.023 0.000 0.826 349 K CB 1.260 33.785 32.500 0.042 0.000 1.108 349 K HN 0.607 nan 8.250 nan 0.000 0.433 350 L N 2.694 123.926 121.223 0.015 0.000 2.410 350 L HA 0.174 4.514 4.340 0.001 0.000 0.273 350 L C 0.410 177.290 176.870 0.017 0.000 1.152 350 L CA 0.021 54.867 54.840 0.010 0.000 0.855 350 L CB 1.327 43.392 42.059 0.009 0.000 1.129 350 L HN 0.694 nan 8.230 nan 0.000 0.463 351 S N 0.704 116.411 115.700 0.013 0.000 2.704 351 S HA 0.436 4.906 4.470 0.001 0.000 0.296 351 S C 0.705 175.311 174.600 0.011 0.000 1.138 351 S CA -0.471 57.739 58.200 0.017 0.000 0.875 351 S CB 2.064 65.279 63.200 0.025 0.000 1.151 351 S HN 0.621 nan 8.310 nan 0.000 0.500 352 S N 1.400 117.109 115.700 0.015 0.000 2.317 352 S HA 0.066 4.537 4.470 0.001 0.000 0.212 352 S C 0.728 175.335 174.600 0.011 0.000 1.030 352 S CA 0.267 58.475 58.200 0.014 0.000 0.970 352 S CB -0.714 62.498 63.200 0.019 0.000 0.928 352 S HN 0.804 nan 8.310 nan 0.000 0.451 353 N N 1.759 120.469 118.700 0.017 0.000 2.291 353 N HA -0.036 4.705 4.740 0.001 0.000 0.281 353 N C 0.668 176.180 175.510 0.003 0.000 1.388 353 N CA -0.061 52.999 53.050 0.017 0.000 0.920 353 N CB 0.212 38.715 38.487 0.026 0.000 1.276 353 N HN 0.380 nan 8.380 nan 0.000 0.493 354 A N 3.458 126.271 122.820 -0.011 0.000 2.209 354 A HA -0.142 4.179 4.320 0.001 0.000 0.212 354 A C 1.663 179.214 177.584 -0.056 0.000 1.158 354 A CA 0.902 52.914 52.037 -0.042 0.000 0.742 354 A CB -0.112 18.850 19.000 -0.064 0.000 0.790 354 A HN 0.901 nan 8.150 nan 0.000 0.472 355 E N -0.407 119.776 120.200 -0.028 0.000 2.299 355 E HA -0.065 4.286 4.350 0.001 0.000 0.193 355 E C 1.620 178.217 176.600 -0.004 0.000 0.998 355 E CA 0.948 57.331 56.400 -0.028 0.000 0.851 355 E CB -0.163 29.531 29.700 -0.011 0.000 0.795 355 E HN 0.331 nan 8.360 nan 0.000 0.492 356 K N 1.438 121.848 120.400 0.016 0.000 2.486 356 K HA 0.047 4.368 4.320 0.001 0.000 0.194 356 K C -0.210 176.419 176.600 0.047 0.000 1.033 356 K CA 0.134 56.447 56.287 0.044 0.000 1.004 356 K CB 0.145 32.671 32.500 0.043 0.000 0.798 356 K HN -0.021 nan 8.250 nan 0.000 0.495 357 V N 2.406 122.326 119.914 0.011 0.000 2.488 357 V HA 0.079 4.200 4.120 0.001 0.000 0.277 357 V C 0.032 176.117 176.094 -0.014 0.000 1.046 357 V CA -0.505 61.795 62.300 0.001 0.000 0.986 357 V CB 0.993 32.795 31.823 -0.035 0.000 0.989 357 V HN 0.207 nan 8.190 nan 0.000 0.475 358 T N 4.290 118.860 114.554 0.026 0.000 2.871 358 T HA 0.020 4.371 4.350 0.001 0.000 0.296 358 T C 0.615 175.249 174.700 -0.111 0.000 0.998 358 T CA 0.173 62.255 62.100 -0.029 0.000 1.162 358 T CB -0.033 68.885 68.868 0.085 0.000 0.947 358 T HN 0.815 nan 8.240 nan 0.000 0.536 359 T N 7.660 122.090 114.554 -0.207 0.000 2.799 359 T HA 0.242 4.593 4.350 0.001 0.000 0.296 359 T C -1.779 172.843 174.700 -0.129 0.000 0.947 359 T CA -0.928 61.068 62.100 -0.174 0.000 1.141 359 T CB 0.430 69.171 68.868 -0.213 0.000 0.891 359 T HN 0.432 nan 8.240 nan 0.000 0.533 360 P HA 0.535 nan 4.420 nan 0.000 0.277 360 P C 0.238 177.516 177.300 -0.036 0.000 1.271 360 P CA -0.078 62.995 63.100 -0.045 0.000 0.795 360 P CB 0.539 32.231 31.700 -0.013 0.000 1.101 361 G N -0.701 108.093 108.800 -0.010 0.000 2.675 361 G HA2 -0.112 3.849 3.960 0.001 0.000 0.686 361 G HA3 -0.112 3.849 3.960 0.001 0.000 0.686 361 G C -0.917 174.010 174.900 0.047 0.000 1.215 361 G CA -0.766 44.349 45.100 0.025 0.000 0.777 361 G HN 0.755 nan 8.290 nan 0.000 0.638 362 K N 1.118 121.598 120.400 0.133 0.000 2.383 362 K HA 0.386 4.707 4.320 0.001 0.000 0.286 362 K C 0.369 177.087 176.600 0.197 0.000 1.051 362 K CA 0.150 56.522 56.287 0.141 0.000 0.974 362 K CB 0.158 32.719 32.500 0.101 0.000 0.968 362 K HN 0.493 nan 8.250 nan 0.000 0.475 363 K N 2.792 123.244 120.400 0.087 0.000 2.350 363 K HA 0.219 4.540 4.320 0.001 0.000 0.241 363 K C -0.936 175.679 176.600 0.024 0.000 0.994 363 K CA -1.027 55.286 56.287 0.045 0.000 0.839 363 K CB 1.814 34.290 32.500 -0.041 0.000 1.244 363 K HN 0.409 nan 8.250 nan 0.000 0.443 364 Q N 0.646 120.451 119.800 0.008 0.000 2.413 364 Q HA 0.444 4.784 4.340 0.001 0.000 0.276 364 Q C -1.749 174.119 176.000 -0.220 0.000 1.099 364 Q CA -0.797 54.916 55.803 -0.151 0.000 0.814 364 Q CB 2.162 30.770 28.738 -0.218 0.000 1.379 364 Q HN 0.340 nan 8.270 nan 0.000 0.436 365 V N 3.082 122.782 119.914 -0.356 0.000 2.370 365 V HA 0.493 4.614 4.120 0.001 0.000 0.283 365 V C -1.160 174.731 176.094 -0.339 0.000 1.023 365 V CA -0.526 61.638 62.300 -0.226 0.000 0.857 365 V CB 0.828 32.562 31.823 -0.148 0.000 0.985 365 V HN 0.720 nan 8.190 nan 0.000 0.443 366 W N 4.068 125.392 121.300 0.040 0.000 2.417 366 W HA 0.632 5.292 4.660 0.001 0.000 0.315 366 W C 0.350 176.922 176.519 0.089 0.000 1.045 366 W CA -0.697 56.704 57.345 0.093 0.000 1.221 366 W CB 1.084 30.642 29.460 0.163 0.000 1.309 366 W HN 0.393 nan 8.180 nan 0.000 0.453 367 R N 3.617 124.277 120.500 0.266 0.000 2.248 367 R HA 0.323 4.663 4.340 0.001 0.000 0.328 367 R C -0.536 175.885 176.300 0.202 0.000 1.067 367 R CA -0.237 55.986 56.100 0.206 0.000 0.924 367 R CB 0.209 30.612 30.300 0.172 0.000 1.013 367 R HN 0.348 nan 8.270 nan 0.000 0.454 368 I N 4.596 125.235 120.570 0.115 0.000 2.359 368 I HA 0.276 4.446 4.170 0.001 0.000 0.294 368 I C 0.294 176.446 176.117 0.058 0.000 0.987 368 I CA -0.265 61.070 61.300 0.058 0.000 1.225 368 I CB 1.227 39.135 38.000 -0.154 0.000 1.366 368 I HN 0.736 nan 8.210 nan 0.000 0.466 369 T N 3.069 117.692 114.554 0.116 0.000 2.906 369 T HA 0.522 4.872 4.350 0.001 0.000 0.295 369 T C -0.243 174.525 174.700 0.114 0.000 1.061 369 T CA -1.040 61.115 62.100 0.092 0.000 1.000 369 T CB 2.127 71.057 68.868 0.103 0.000 1.103 369 T HN 0.554 nan 8.240 nan 0.000 0.486 370 R N 1.343 121.884 120.500 0.069 0.000 2.370 370 R HA 0.223 4.564 4.340 0.001 0.000 0.309 370 R C 1.235 177.573 176.300 0.064 0.000 1.059 370 R CA -0.221 55.920 56.100 0.069 0.000 0.981 370 R CB 0.359 30.676 30.300 0.028 0.000 0.972 370 R HN 0.742 nan 8.270 nan 0.000 0.437 371 K N 1.406 121.841 120.400 0.058 0.000 2.103 371 K HA -0.169 4.151 4.320 0.001 0.000 0.207 371 K C 1.935 178.553 176.600 0.030 0.000 1.048 371 K CA 2.011 58.319 56.287 0.034 0.000 0.930 371 K CB 0.081 32.582 32.500 0.001 0.000 0.716 371 K HN 0.729 nan 8.250 nan 0.000 0.444 372 S N 1.642 117.359 115.700 0.028 0.000 2.348 372 S HA -0.151 4.320 4.470 0.001 0.000 0.221 372 S C 1.354 175.973 174.600 0.033 0.000 1.033 372 S CA 1.650 59.864 58.200 0.025 0.000 1.010 372 S CB -0.202 63.011 63.200 0.022 0.000 0.891 372 S HN 0.412 nan 8.310 nan 0.000 0.442 373 D N -0.309 120.116 120.400 0.042 0.000 2.540 373 D HA 0.204 4.845 4.640 0.001 0.000 0.229 373 D C 0.070 176.412 176.300 0.071 0.000 1.250 373 D CA -0.248 53.784 54.000 0.054 0.000 0.817 373 D CB -0.441 40.397 40.800 0.062 0.000 1.060 373 D HN 0.478 nan 8.370 nan 0.000 0.508 374 K N 0.026 120.465 120.400 0.066 0.000 3.281 374 K HA -0.250 4.071 4.320 0.001 0.000 0.295 374 K C 0.137 176.792 176.600 0.092 0.000 1.233 374 K CA 0.743 57.078 56.287 0.078 0.000 0.866 374 K CB -1.646 30.902 32.500 0.079 0.000 1.265 374 K HN 0.293 nan 8.250 nan 0.000 0.482 375 K N 1.973 122.409 120.400 0.059 0.000 2.484 375 K HA 0.062 4.382 4.320 0.001 0.000 0.280 375 K C -0.389 176.193 176.600 -0.030 0.000 1.013 375 K CA 0.155 56.424 56.287 -0.031 0.000 1.029 375 K CB 0.555 32.950 32.500 -0.174 0.000 0.902 375 K HN 0.096 nan 8.250 nan 0.000 0.481 376 S N 4.313 120.022 115.700 0.016 0.000 2.515 376 S HA 0.001 4.471 4.470 0.001 0.000 0.285 376 S C 0.355 174.947 174.600 -0.014 0.000 1.265 376 S CA -0.423 57.837 58.200 0.099 0.000 1.079 376 S CB 0.707 64.107 63.200 0.333 0.000 0.877 376 S HN 0.636 nan 8.310 nan 0.000 0.493 377 E N 1.521 121.670 120.200 -0.086 0.000 2.476 377 E HA 0.252 4.603 4.350 0.001 0.000 0.199 377 E C 1.125 177.508 176.600 -0.361 0.000 1.021 377 E CA 0.277 56.569 56.400 -0.179 0.000 0.907 377 E CB 0.507 30.109 29.700 -0.162 0.000 0.974 377 E HN 0.922 nan 8.360 nan 0.000 0.489 378 G N 1.481 109.961 108.800 -0.533 0.000 2.462 378 G HA2 -0.133 3.828 3.960 0.001 0.000 0.685 378 G HA3 -0.133 3.828 3.960 0.001 0.000 0.685 378 G C -1.391 173.267 174.900 -0.403 0.000 1.295 378 G CA -0.808 43.701 45.100 -0.985 0.000 0.941 378 G HN -0.007 nan 8.290 nan 0.000 0.554 379 D N -0.669 119.549 120.400 -0.304 0.000 2.193 379 D HA 0.599 5.239 4.640 0.001 0.000 0.249 379 D C -0.714 175.580 176.300 -0.010 0.000 1.034 379 D CA 0.188 54.180 54.000 -0.013 0.000 0.902 379 D CB 1.474 42.323 40.800 0.082 0.000 1.182 379 D HN 0.529 nan 8.370 nan 0.000 0.436 380 Y N 1.397 121.663 120.300 -0.058 0.000 2.332 380 Y HA 0.406 4.956 4.550 0.001 0.000 0.326 380 Y C -1.414 174.523 175.900 0.060 0.000 0.978 380 Y CA -0.744 57.310 58.100 -0.077 0.000 1.205 380 Y CB 0.964 39.356 38.460 -0.112 0.000 1.131 380 Y HN 0.078 nan 8.280 nan 0.000 0.462 381 V N 6.559 126.302 119.914 -0.285 0.000 2.364 381 V HA 0.428 4.549 4.120 0.001 0.000 0.272 381 V C 0.131 176.036 176.094 -0.314 0.000 1.036 381 V CA -0.205 61.974 62.300 -0.202 0.000 0.880 381 V CB 1.124 32.830 31.823 -0.196 0.000 0.991 381 V HN 0.877 nan 8.190 nan 0.000 0.460 382 T N 3.099 117.577 114.554 -0.127 0.000 2.949 382 T HA 0.753 5.103 4.350 0.001 0.000 0.287 382 T C -0.147 174.511 174.700 -0.070 0.000 1.034 382 T CA -0.836 61.175 62.100 -0.148 0.000 1.018 382 T CB 1.323 70.193 68.868 0.004 0.000 1.135 382 T HN 0.269 nan 8.240 nan 0.000 0.532 383 L N 1.610 122.753 121.223 -0.135 0.000 2.472 383 L HA 0.175 4.515 4.340 0.001 0.000 0.260 383 L C 2.145 178.952 176.870 -0.106 0.000 1.209 383 L CA -0.992 53.748 54.840 -0.166 0.000 0.817 383 L CB 0.377 42.211 42.059 -0.375 0.000 1.106 383 L HN 0.885 nan 8.230 nan 0.000 0.479 384 W N 1.419 122.726 121.300 0.012 0.000 2.350 384 W HA -0.198 4.463 4.660 0.001 0.000 0.289 384 W C 1.343 177.916 176.519 0.090 0.000 1.215 384 W CA 1.162 58.544 57.345 0.062 0.000 1.236 384 W CB -0.966 28.515 29.460 0.035 0.000 1.130 384 W HN 0.797 nan 8.180 nan 0.000 0.541 385 N N 1.164 119.400 118.700 -0.774 0.000 2.398 385 N HA -0.063 4.678 4.740 0.001 0.000 0.188 385 N C -0.167 175.182 175.510 -0.270 0.000 1.122 385 N CA 0.373 53.013 53.050 -0.683 0.000 0.866 385 N CB -0.397 37.326 38.487 -1.273 0.000 0.970 385 N HN 0.451 nan 8.380 nan 0.000 0.462 386 E N 0.317 120.427 120.200 -0.150 0.000 2.166 386 E HA 0.208 4.559 4.350 0.001 0.000 0.275 386 E C -1.675 174.892 176.600 -0.055 0.000 0.941 386 E CA -0.655 55.692 56.400 -0.089 0.000 0.784 386 E CB 0.972 30.616 29.700 -0.093 0.000 1.115 386 E HN 0.025 nan 8.360 nan 0.000 0.399 387 D N 5.532 125.851 120.400 -0.137 0.000 2.440 387 D HA 0.279 4.920 4.640 0.001 0.000 0.252 387 D C -2.064 174.000 176.300 -0.394 0.000 1.180 387 D CA -2.467 51.336 54.000 -0.329 0.000 0.894 387 D CB 1.821 42.562 40.800 -0.099 0.000 1.111 387 D HN 0.199 nan 8.370 nan 0.000 0.544 388 P HA -0.077 nan 4.420 nan 0.000 0.219 388 P C 1.095 178.343 177.300 -0.087 0.000 1.146 388 P CA 0.770 63.709 63.100 -0.269 0.000 0.808 388 P CB 0.260 31.754 31.700 -0.344 0.000 0.779 389 R N -0.442 119.918 120.500 -0.233 0.000 2.152 389 R HA -0.088 4.253 4.340 0.001 0.000 0.232 389 R C 1.598 177.820 176.300 -0.129 0.000 1.117 389 R CA 0.915 56.934 56.100 -0.134 0.000 0.981 389 R CB -0.460 29.802 30.300 -0.064 0.000 0.870 389 R HN 0.250 nan 8.270 nan 0.000 0.451 390 Q N 0.624 120.363 119.800 -0.102 0.000 2.320 390 Q HA 0.100 4.441 4.340 0.001 0.000 0.201 390 Q C -0.490 175.477 176.000 -0.054 0.000 0.910 390 Q CA 0.528 56.289 55.803 -0.070 0.000 0.946 390 Q CB 0.622 29.332 28.738 -0.045 0.000 1.062 390 Q HN 0.436 nan 8.270 nan 0.000 0.503 391 E N 0.208 120.386 120.200 -0.036 0.000 2.171 391 E HA 0.193 4.544 4.350 0.001 0.000 0.271 391 E C 0.023 176.637 176.600 0.023 0.000 0.916 391 E CA -0.296 56.119 56.400 0.024 0.000 0.774 391 E CB 1.448 31.195 29.700 0.078 0.000 1.128 391 E HN 0.061 nan 8.360 nan 0.000 0.403 392 E N 1.702 121.907 120.200 0.009 0.000 2.204 392 E HA -0.130 4.221 4.350 0.001 0.000 0.194 392 E C 0.014 176.684 176.600 0.115 0.000 0.989 392 E CA 0.958 57.353 56.400 -0.009 0.000 0.824 392 E CB 0.413 30.103 29.700 -0.017 0.000 0.756 392 E HN 0.400 nan 8.360 nan 0.000 0.477 393 E N 0.251 120.565 120.200 0.190 0.000 2.321 393 E HA 0.307 4.658 4.350 0.001 0.000 0.278 393 E C -1.347 175.353 176.600 0.167 0.000 0.902 393 E CA -0.489 56.053 56.400 0.237 0.000 0.758 393 E CB 1.406 31.199 29.700 0.155 0.000 1.213 393 E HN 0.082 nan 8.360 nan 0.000 0.426 394 I N 0.399 120.969 120.570 0.001 0.000 2.646 394 I HA 0.515 4.685 4.170 0.001 0.000 0.299 394 I C -1.310 174.732 176.117 -0.125 0.000 1.036 394 I CA -1.118 60.053 61.300 -0.215 0.000 1.074 394 I CB 1.547 39.049 38.000 -0.829 0.000 1.258 394 I HN 0.523 nan 8.210 nan 0.000 0.430 395 Y N 6.090 126.272 120.300 -0.196 0.000 2.434 395 Y HA 0.582 5.133 4.550 0.001 0.000 0.341 395 Y C -0.736 175.094 175.900 -0.116 0.000 0.965 395 Y CA -1.097 56.831 58.100 -0.287 0.000 1.205 395 Y CB 1.080 39.397 38.460 -0.238 0.000 1.121 395 Y HN 0.562 nan 8.280 nan 0.000 0.507 396 M N 8.747 128.026 119.600 -0.534 0.000 2.080 396 M HA 0.336 4.817 4.480 0.001 0.000 0.350 396 M C -1.283 174.687 176.300 -0.551 0.000 1.173 396 M CA -0.468 54.568 55.300 -0.441 0.000 1.052 396 M CB 0.468 32.836 32.600 -0.387 0.000 1.577 396 M HN 0.613 nan 8.290 nan 0.000 0.455 397 F N -0.170 119.413 119.950 -0.610 0.000 2.577 397 F HA 0.537 5.065 4.527 0.001 0.000 0.318 397 F C -0.248 175.365 175.800 -0.311 0.000 1.065 397 F CA -1.224 56.456 58.000 -0.534 0.000 0.929 397 F CB 0.798 39.416 39.000 -0.638 0.000 1.237 397 F HN 0.445 nan 8.300 nan 0.000 0.468 398 H N 4.019 122.960 119.070 -0.215 0.000 2.886 398 H HA 0.177 4.734 4.556 0.001 0.000 0.329 398 H C -1.897 173.343 175.328 -0.147 0.000 1.044 398 H CA -1.611 54.310 56.048 -0.211 0.000 1.456 398 H CB 1.918 31.598 29.762 -0.136 0.000 1.464 398 H HN 0.439 nan 8.280 nan 0.000 0.573 399 P HA -0.114 nan 4.420 nan 0.000 0.223 399 P C 1.325 178.803 177.300 0.297 0.000 1.151 399 P CA 0.565 63.667 63.100 0.003 0.000 0.787 399 P CB 0.585 32.228 31.700 -0.095 0.000 0.788 400 V N -0.641 119.389 119.914 0.195 0.000 2.436 400 V HA -0.019 4.101 4.120 0.001 0.000 0.240 400 V C 1.274 177.355 176.094 -0.022 0.000 1.040 400 V CA 1.134 63.477 62.300 0.073 0.000 1.052 400 V CB -1.167 30.554 31.823 -0.170 0.000 0.707 400 V HN 0.137 nan 8.190 nan 0.000 0.469 401 H N 1.870 121.040 119.070 0.167 0.000 2.745 401 H HA 0.213 4.770 4.556 0.001 0.000 0.235 401 H C 1.566 176.601 175.328 -0.488 0.000 1.815 401 H CA 0.591 56.377 56.048 -0.436 0.000 1.321 401 H CB -0.013 29.222 29.762 -0.878 0.000 1.716 401 H HN 0.474 nan 8.280 nan 0.000 0.546 402 T N -1.532 112.985 114.554 -0.061 0.000 3.007 402 T HA -0.162 4.189 4.350 0.001 0.000 0.270 402 T C 1.715 176.379 174.700 -0.060 0.000 1.107 402 T CA 0.451 62.551 62.100 -0.000 0.000 1.118 402 T CB -0.710 68.102 68.868 -0.093 0.000 0.889 402 T HN 0.411 nan 8.240 nan 0.000 0.506 403 F N 0.807 120.797 119.950 0.066 0.000 2.641 403 F HA 0.400 4.928 4.527 0.001 0.000 0.298 403 F C 0.533 176.350 175.800 0.027 0.000 1.146 403 F CA -0.985 57.034 58.000 0.032 0.000 1.464 403 F CB -0.603 38.415 39.000 0.030 0.000 1.101 403 F HN 0.050 nan 8.300 nan 0.000 0.585 404 I N 3.692 124.086 120.570 -0.293 0.000 2.304 404 I HA 0.292 4.462 4.170 0.001 0.000 0.291 404 I C -0.896 175.154 176.117 -0.111 0.000 1.018 404 I CA -0.542 60.666 61.300 -0.152 0.000 1.260 404 I CB 0.141 37.992 38.000 -0.249 0.000 1.390 404 I HN 0.400 nan 8.210 nan 0.000 0.475 405 N N 5.832 124.471 118.700 -0.102 0.000 2.859 405 N HA 0.617 5.358 4.740 0.001 0.000 0.250 405 N C -1.580 173.815 175.510 -0.192 0.000 1.341 405 N CA -1.081 51.834 53.050 -0.225 0.000 0.881 405 N CB 1.796 40.102 38.487 -0.301 0.000 1.516 405 N HN 0.454 nan 8.380 nan 0.000 0.503 406 K N -0.591 119.619 120.400 -0.317 0.000 2.542 406 K HA 0.412 4.733 4.320 0.001 0.000 0.259 406 K C -1.739 174.702 176.600 -0.264 0.000 0.932 406 K CA -0.834 55.349 56.287 -0.174 0.000 0.820 406 K CB 1.376 33.803 32.500 -0.122 0.000 1.345 406 K HN 0.444 nan 8.250 nan 0.000 0.432 407 Y N 0.914 121.235 120.300 0.035 0.000 2.316 407 Y HA 0.320 4.870 4.550 0.001 0.000 0.331 407 Y C -0.024 175.852 175.900 -0.040 0.000 1.083 407 Y CA -0.544 57.581 58.100 0.040 0.000 1.206 407 Y CB 1.766 40.274 38.460 0.080 0.000 1.195 407 Y HN 0.240 nan 8.280 nan 0.000 0.497 408 V N 5.509 125.436 119.914 0.022 0.000 2.417 408 V HA 0.560 4.681 4.120 0.001 0.000 0.291 408 V C -0.126 176.060 176.094 0.153 0.000 1.024 408 V CA -1.072 61.209 62.300 -0.031 0.000 0.861 408 V CB 1.434 33.076 31.823 -0.302 0.000 0.985 408 V HN 0.761 nan 8.190 nan 0.000 0.436 409 R N 1.901 122.543 120.500 0.237 0.000 2.939 409 R HA 0.509 4.850 4.340 0.001 0.000 0.254 409 R C -0.705 175.742 176.300 0.246 0.000 1.123 409 R CA -0.953 55.317 56.100 0.282 0.000 1.020 409 R CB 0.954 31.324 30.300 0.117 0.000 1.206 409 R HN 0.749 nan 8.270 nan 0.000 0.491 410 D N 0.974 121.394 120.400 0.034 0.000 2.697 410 D HA -0.190 4.451 4.640 0.001 0.000 0.235 410 D C -0.788 175.510 176.300 -0.003 0.000 1.167 410 D CA 1.270 55.237 54.000 -0.054 0.000 0.656 410 D CB -1.250 39.547 40.800 -0.005 0.000 1.025 410 D HN 0.278 nan 8.370 nan 0.000 0.419 411 F N -1.500 118.428 119.950 -0.037 0.000 2.579 411 F HA 0.667 5.195 4.527 0.001 0.000 0.324 411 F C 0.220 176.008 175.800 -0.020 0.000 1.058 411 F CA -1.284 56.694 58.000 -0.036 0.000 0.944 411 F CB 1.219 40.179 39.000 -0.067 0.000 1.245 411 F HN -0.309 nan 8.300 nan 0.000 0.477 412 E N 1.308 121.609 120.200 0.169 0.000 2.231 412 E HA 0.578 4.929 4.350 0.001 0.000 0.277 412 E C -1.047 175.751 176.600 0.331 0.000 0.999 412 E CA -0.928 55.562 56.400 0.150 0.000 0.827 412 E CB 2.012 31.778 29.700 0.109 0.000 1.101 412 E HN 0.834 nan 8.360 nan 0.000 0.393 413 A N 3.595 126.612 122.820 0.328 0.000 2.310 413 A HA 0.403 4.724 4.320 0.001 0.000 0.304 413 A C -0.210 177.664 177.584 0.484 0.000 1.231 413 A CA -0.673 51.616 52.037 0.420 0.000 0.799 413 A CB 0.629 19.862 19.000 0.389 0.000 1.162 413 A HN 0.529 nan 8.150 nan 0.000 0.486 414 R N 4.281 125.028 120.500 0.412 0.000 2.295 414 R HA 0.483 4.824 4.340 0.001 0.000 0.324 414 R C -2.775 173.627 176.300 0.170 0.000 0.968 414 R CA -1.992 54.284 56.100 0.294 0.000 0.837 414 R CB 1.379 31.789 30.300 0.183 0.000 1.133 414 R HN 0.436 nan 8.270 nan 0.000 0.450 415 P HA 0.019 nan 4.420 nan 0.000 0.276 415 P C 0.338 177.459 177.300 -0.299 0.000 1.253 415 P CA -0.143 62.600 63.100 -0.595 0.000 0.766 415 P CB 1.576 32.818 31.700 -0.764 0.000 0.845 416 V N 4.264 124.000 119.914 -0.296 0.000 2.535 416 V HA -0.079 4.042 4.120 0.001 0.000 0.246 416 V C 1.396 177.374 176.094 -0.193 0.000 1.045 416 V CA 1.033 63.231 62.300 -0.170 0.000 1.058 416 V CB -0.521 31.226 31.823 -0.128 0.000 0.689 416 V HN 0.439 nan 8.190 nan 0.000 0.461 417 L N 2.108 123.188 121.223 -0.239 0.000 2.369 417 L HA 0.238 4.579 4.340 0.001 0.000 0.279 417 L C 0.073 176.843 176.870 -0.166 0.000 1.108 417 L CA 0.407 55.128 54.840 -0.199 0.000 0.852 417 L CB 0.142 42.098 42.059 -0.173 0.000 1.169 417 L HN 0.368 nan 8.230 nan 0.000 0.452 418 Q N 2.022 121.729 119.800 -0.155 0.000 2.266 418 Q HA 0.290 4.631 4.340 0.001 0.000 0.261 418 Q C -1.105 174.833 176.000 -0.104 0.000 0.985 418 Q CA -1.167 54.560 55.803 -0.127 0.000 0.873 418 Q CB 2.242 30.889 28.738 -0.152 0.000 1.306 418 Q HN 0.429 nan 8.270 nan 0.000 0.447 419 D N 1.819 122.191 120.400 -0.046 0.000 2.450 419 D HA 0.008 4.649 4.640 0.001 0.000 0.247 419 D C 0.535 176.823 176.300 -0.020 0.000 1.162 419 D CA 0.324 54.324 54.000 -0.000 0.000 0.879 419 D CB 0.847 41.665 40.800 0.031 0.000 1.163 419 D HN 0.377 nan 8.370 nan 0.000 0.472 420 I N 1.178 121.759 120.570 0.018 0.000 3.366 420 I HA 0.136 4.307 4.170 0.001 0.000 0.267 420 I C 0.602 176.665 176.117 -0.090 0.000 1.149 420 I CA 0.419 61.709 61.300 -0.016 0.000 1.436 420 I CB -0.474 37.557 38.000 0.052 0.000 1.379 420 I HN 0.146 nan 8.210 nan 0.000 0.460 421 F N 0.790 120.815 119.950 0.125 0.000 2.495 421 F HA 0.533 5.060 4.527 0.001 0.000 0.327 421 F C -0.042 175.802 175.800 0.072 0.000 1.103 421 F CA -0.920 57.157 58.000 0.128 0.000 0.949 421 F CB 1.958 41.082 39.000 0.206 0.000 1.142 421 F HN -0.419 nan 8.300 nan 0.000 0.457 422 V N 2.312 122.347 119.914 0.202 0.000 2.384 422 V HA 0.217 4.338 4.120 0.001 0.000 0.287 422 V C -0.142 176.001 176.094 0.081 0.000 1.020 422 V CA -1.121 61.246 62.300 0.112 0.000 0.850 422 V CB 1.155 33.018 31.823 0.067 0.000 0.987 422 V HN 0.861 nan 8.190 nan 0.000 0.436 423 E N 3.831 124.041 120.200 0.017 0.000 2.238 423 E HA -0.303 4.048 4.350 0.001 0.000 0.219 423 E C 1.242 177.794 176.600 -0.080 0.000 1.275 423 E CA 0.600 56.964 56.400 -0.059 0.000 0.714 423 E CB -1.207 28.469 29.700 -0.040 0.000 1.154 423 E HN 1.443 nan 8.360 nan 0.000 0.363 424 G N 0.021 108.775 108.800 -0.076 0.000 2.179 424 G HA2 -0.354 3.606 3.960 0.001 0.000 0.260 424 G HA3 -0.354 3.606 3.960 0.001 0.000 0.260 424 G C 0.051 175.156 174.900 0.343 0.000 0.977 424 G CA 0.639 45.732 45.100 -0.012 0.000 0.641 424 G HN 0.278 nan 8.290 nan 0.000 0.533 425 K N 0.350 120.942 120.400 0.320 0.000 2.307 425 K HA 0.477 4.798 4.320 0.001 0.000 0.263 425 K C 0.352 177.062 176.600 0.183 0.000 0.973 425 K CA -0.846 55.588 56.287 0.245 0.000 0.846 425 K CB 1.613 34.180 32.500 0.112 0.000 1.100 425 K HN 0.174 nan 8.250 nan 0.000 0.438 426 R N 2.336 122.853 120.500 0.029 0.000 2.404 426 R HA 0.008 4.348 4.340 0.001 0.000 0.315 426 R C 0.787 177.001 176.300 -0.144 0.000 1.032 426 R CA 0.018 55.910 56.100 -0.347 0.000 0.992 426 R CB 0.370 30.399 30.300 -0.451 0.000 0.959 426 R HN 0.566 nan 8.270 nan 0.000 0.428 427 V N 2.098 121.947 119.914 -0.108 0.000 3.427 427 V HA 0.217 4.337 4.120 0.001 0.000 0.305 427 V C -0.502 175.606 176.094 0.023 0.000 1.412 427 V CA -0.351 61.937 62.300 -0.021 0.000 1.086 427 V CB -0.279 31.555 31.823 0.018 0.000 0.964 427 V HN 0.596 nan 8.190 nan 0.000 0.439 428 Y N 1.789 121.996 120.300 -0.155 0.000 2.328 428 Y HA 0.619 5.169 4.550 0.001 0.000 0.336 428 Y C 0.080 175.918 175.900 -0.103 0.000 0.960 428 Y CA -1.484 56.547 58.100 -0.114 0.000 1.134 428 Y CB 1.487 39.879 38.460 -0.115 0.000 1.166 428 Y HN 0.393 nan 8.280 nan 0.000 0.464 429 E N 6.388 126.236 120.200 -0.587 0.000 2.259 429 E HA 0.297 4.648 4.350 0.001 0.000 0.281 429 E C -1.087 175.051 176.600 -0.771 0.000 1.037 429 E CA -0.521 55.581 56.400 -0.498 0.000 0.854 429 E CB 0.627 30.140 29.700 -0.312 0.000 1.051 429 E HN 0.792 nan 8.360 nan 0.000 0.409 430 L N 7.364 128.347 121.223 -0.401 0.000 2.410 430 L HA 0.236 4.577 4.340 0.001 0.000 0.273 430 L C -1.577 175.194 176.870 -0.165 0.000 1.144 430 L CA -1.619 53.081 54.840 -0.233 0.000 0.863 430 L CB 0.129 42.179 42.059 -0.015 0.000 1.140 430 L HN 0.534 nan 8.230 nan 0.000 0.463 431 P HA 0.108 nan 4.420 nan 0.000 0.274 431 P C -0.347 176.963 177.300 0.017 0.000 1.246 431 P CA -0.508 62.563 63.100 -0.048 0.000 0.795 431 P CB 0.501 32.191 31.700 -0.017 0.000 1.006 432 T N -1.249 113.321 114.554 0.026 0.000 2.868 432 T HA 0.057 4.407 4.350 0.001 0.000 0.292 432 T C 1.276 176.029 174.700 0.088 0.000 1.028 432 T CA -0.678 61.458 62.100 0.059 0.000 1.059 432 T CB 0.328 69.229 68.868 0.055 0.000 0.991 432 T HN 0.208 nan 8.240 nan 0.000 0.531 433 L N 1.037 122.330 121.223 0.117 0.000 2.043 433 L HA -0.073 4.268 4.340 0.001 0.000 0.212 433 L C 1.978 178.951 176.870 0.171 0.000 1.075 433 L CA 1.987 56.918 54.840 0.152 0.000 0.752 433 L CB -1.091 41.077 42.059 0.181 0.000 0.891 433 L HN 0.744 nan 8.230 nan 0.000 0.432 434 D N -0.514 119.988 120.400 0.171 0.000 2.178 434 D HA -0.177 4.463 4.640 0.001 0.000 0.201 434 D C 2.117 178.462 176.300 0.075 0.000 0.980 434 D CA 1.248 55.329 54.000 0.135 0.000 0.842 434 D CB 0.022 40.901 40.800 0.132 0.000 0.948 434 D HN 0.541 nan 8.370 nan 0.000 0.472 435 E N 0.052 120.296 120.200 0.074 0.000 2.106 435 E HA -0.086 4.264 4.350 0.001 0.000 0.192 435 E C 2.301 178.959 176.600 0.096 0.000 0.984 435 E CA 0.368 56.808 56.400 0.067 0.000 0.806 435 E CB 0.049 29.773 29.700 0.039 0.000 0.750 435 E HN 0.309 nan 8.360 nan 0.000 0.458 436 I N 1.221 121.850 120.570 0.099 0.000 2.179 436 I HA -0.300 3.871 4.170 0.001 0.000 0.242 436 I C 2.617 178.805 176.117 0.118 0.000 1.088 436 I CA 1.193 62.576 61.300 0.139 0.000 1.357 436 I CB -0.257 37.815 38.000 0.121 0.000 1.051 436 I HN 0.022 nan 8.210 nan 0.000 0.409 437 K N 0.652 121.063 120.400 0.018 0.000 2.057 437 K HA -0.288 4.033 4.320 0.001 0.000 0.207 437 K C 2.258 178.830 176.600 -0.048 0.000 1.049 437 K CA 1.708 57.937 56.287 -0.097 0.000 0.931 437 K CB -0.050 32.256 32.500 -0.323 0.000 0.714 437 K HN 0.089 nan 8.250 nan 0.000 0.440 438 Q N -0.161 119.643 119.800 0.006 0.000 2.084 438 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 438 Q C 1.818 177.867 176.000 0.081 0.000 0.978 438 Q CA 1.721 57.543 55.803 0.032 0.000 0.844 438 Q CB -0.533 28.235 28.738 0.049 0.000 0.898 438 Q HN 0.463 nan 8.270 nan 0.000 0.426 439 Y N 0.069 120.365 120.300 -0.006 0.000 2.145 439 Y HA -0.179 4.372 4.550 0.001 0.000 0.286 439 Y C 2.041 177.938 175.900 -0.005 0.000 1.145 439 Y CA 1.795 59.900 58.100 0.009 0.000 1.148 439 Y CB -0.868 37.612 38.460 0.034 0.000 0.981 439 Y HN 0.178 nan 8.280 nan 0.000 0.507 440 A N 0.434 123.235 122.820 -0.032 0.000 1.883 440 A HA -0.291 4.029 4.320 0.001 0.000 0.217 440 A C 2.347 179.841 177.584 -0.150 0.000 1.186 440 A CA 2.224 54.186 52.037 -0.125 0.000 0.624 440 A CB -0.913 18.057 19.000 -0.049 0.000 0.822 440 A HN 0.551 nan 8.150 nan 0.000 0.444 441 K N -0.245 120.093 120.400 -0.104 0.000 2.032 441 K HA -0.218 4.102 4.320 0.001 0.000 0.209 441 K C 1.906 178.443 176.600 -0.105 0.000 1.048 441 K CA 1.893 58.122 56.287 -0.096 0.000 0.927 441 K CB -0.213 32.246 32.500 -0.068 0.000 0.712 441 K HN 0.631 nan 8.250 nan 0.000 0.441 442 E N -0.007 120.133 120.200 -0.100 0.000 2.072 442 E HA -0.127 4.224 4.350 0.001 0.000 0.190 442 E C 1.919 178.438 176.600 -0.137 0.000 0.982 442 E CA 0.958 57.306 56.400 -0.087 0.000 0.803 442 E CB 0.007 29.681 29.700 -0.042 0.000 0.755 442 E HN 0.347 nan 8.360 nan 0.000 0.453 443 N N 0.910 119.465 118.700 -0.243 0.000 2.084 443 N HA -0.153 4.587 4.740 0.001 0.000 0.190 443 N C 1.842 177.235 175.510 -0.195 0.000 1.030 443 N CA 0.705 53.602 53.050 -0.256 0.000 0.849 443 N CB -0.347 37.901 38.487 -0.399 0.000 1.012 443 N HN 0.082 nan 8.380 nan 0.000 0.423 444 L N 1.769 122.856 121.223 -0.226 0.000 2.017 444 L HA -0.158 4.183 4.340 0.001 0.000 0.208 444 L C 1.849 178.619 176.870 -0.166 0.000 1.073 444 L CA 1.792 56.472 54.840 -0.266 0.000 0.745 444 L CB -1.016 40.867 42.059 -0.293 0.000 0.894 444 L HN 0.096 nan 8.230 nan 0.000 0.432 445 D N -1.446 118.886 120.400 -0.114 0.000 2.158 445 D HA -0.202 4.438 4.640 0.001 0.000 0.197 445 D C 1.957 178.233 176.300 -0.039 0.000 0.995 445 D CA 1.626 55.586 54.000 -0.068 0.000 0.846 445 D CB 0.042 40.811 40.800 -0.051 0.000 0.941 445 D HN 0.393 nan 8.370 nan 0.000 0.456 446 S N -0.806 114.875 115.700 -0.032 0.000 2.470 446 S HA 0.044 4.515 4.470 0.001 0.000 0.225 446 S C 0.462 175.104 174.600 0.070 0.000 1.006 446 S CA -0.428 57.783 58.200 0.019 0.000 0.934 446 S CB -0.035 63.175 63.200 0.017 0.000 0.778 446 S HN 0.280 nan 8.310 nan 0.000 0.517 447 L N 3.240 124.490 121.223 0.045 0.000 2.499 447 L HA 0.174 4.515 4.340 0.001 0.000 0.273 447 L C 0.022 177.011 176.870 0.200 0.000 1.195 447 L CA -0.027 54.898 54.840 0.142 0.000 0.882 447 L CB -0.335 41.763 42.059 0.064 0.000 1.133 447 L HN 0.153 nan 8.230 nan 0.000 0.483 448 H N 2.489 121.680 119.070 0.202 0.000 3.064 448 H HA -0.042 4.514 4.556 0.001 0.000 0.329 448 H C 1.014 176.377 175.328 0.058 0.000 1.020 448 H CA 0.906 57.026 56.048 0.120 0.000 1.402 448 H CB 0.693 30.524 29.762 0.115 0.000 1.379 448 H HN 0.760 nan 8.280 nan 0.000 0.594 449 E N 3.046 123.137 120.200 -0.182 0.000 2.114 449 E HA -0.295 4.056 4.350 0.001 0.000 0.199 449 E C 1.741 178.298 176.600 -0.072 0.000 1.008 449 E CA 2.117 58.446 56.400 -0.118 0.000 0.810 449 E CB -0.065 29.529 29.700 -0.177 0.000 0.739 449 E HN 0.910 nan 8.360 nan 0.000 0.456 450 E N -1.279 118.833 120.200 -0.147 0.000 2.160 450 E HA -0.237 4.114 4.350 0.001 0.000 0.195 450 E C 1.518 178.034 176.600 -0.140 0.000 0.991 450 E CA 1.340 57.620 56.400 -0.200 0.000 0.810 450 E CB -0.566 28.938 29.700 -0.328 0.000 0.742 450 E HN 0.426 nan 8.360 nan 0.000 0.466 451 Y N 1.712 122.109 120.300 0.162 0.000 2.517 451 Y HA 0.125 4.676 4.550 0.001 0.000 0.281 451 Y C 1.777 177.807 175.900 0.218 0.000 1.125 451 Y CA 0.851 59.078 58.100 0.212 0.000 1.283 451 Y CB 0.227 38.877 38.460 0.317 0.000 1.042 451 Y HN 0.147 nan 8.280 nan 0.000 0.547 452 K N 0.908 121.475 120.400 0.280 0.000 2.374 452 K HA 0.185 4.506 4.320 0.001 0.000 0.202 452 K C 0.347 177.047 176.600 0.166 0.000 1.040 452 K CA -0.427 56.029 56.287 0.282 0.000 1.085 452 K CB 0.149 32.727 32.500 0.129 0.000 0.873 452 K HN 0.085 nan 8.250 nan 0.000 0.539 453 R N 1.155 121.706 120.500 0.084 0.000 2.643 453 R HA 0.070 4.411 4.340 0.001 0.000 0.270 453 R C -0.424 175.893 176.300 0.029 0.000 1.061 453 R CA -0.085 56.040 56.100 0.041 0.000 1.107 453 R CB 0.399 30.706 30.300 0.011 0.000 0.999 453 R HN -0.096 nan 8.270 nan 0.000 0.460 454 D N 0.967 121.386 120.400 0.033 0.000 2.123 454 D HA -0.075 4.565 4.640 0.001 0.000 0.200 454 D C 0.433 176.748 176.300 0.024 0.000 0.976 454 D CA 1.088 55.111 54.000 0.038 0.000 0.831 454 D CB -0.037 40.782 40.800 0.031 0.000 0.974 454 D HN 0.295 nan 8.370 nan 0.000 0.469 455 L N 1.798 123.030 121.223 0.015 0.000 2.264 455 L HA 0.214 4.554 4.340 0.001 0.000 0.289 455 L C -0.398 176.483 176.870 0.018 0.000 1.044 455 L CA -0.387 54.461 54.840 0.015 0.000 0.807 455 L CB 0.445 42.508 42.059 0.007 0.000 1.192 455 L HN -0.040 nan 8.230 nan 0.000 0.425 456 N N 3.751 122.467 118.700 0.027 0.000 2.688 456 N HA -0.154 4.587 4.740 0.001 0.000 0.258 456 N C -2.386 173.146 175.510 0.037 0.000 1.016 456 N CA 0.711 53.781 53.050 0.033 0.000 0.747 456 N CB -1.217 37.286 38.487 0.027 0.000 0.895 456 N HN 0.526 nan 8.380 nan 0.000 0.543 457 P HA -0.004 nan 4.420 nan 0.000 0.269 457 P C 0.368 177.734 177.300 0.109 0.000 1.209 457 P CA 0.018 63.160 63.100 0.070 0.000 0.776 457 P CB 0.659 32.402 31.700 0.072 0.000 0.876 458 Q N 2.233 122.096 119.800 0.106 0.000 2.386 458 Q HA -0.013 4.327 4.340 0.001 0.000 0.282 458 Q C -0.199 176.007 176.000 0.343 0.000 1.050 458 Q CA 0.813 56.708 55.803 0.153 0.000 0.918 458 Q CB 0.202 28.938 28.738 -0.003 0.000 1.266 458 Q HN 0.211 nan 8.270 nan 0.000 0.423 459 K N 3.231 123.793 120.400 0.270 0.000 2.339 459 K HA 0.028 4.348 4.320 0.001 0.000 0.286 459 K C -0.939 175.795 176.600 0.222 0.000 1.050 459 K CA -0.244 56.192 56.287 0.248 0.000 0.956 459 K CB 0.373 32.974 32.500 0.169 0.000 0.990 459 K HN 0.545 nan 8.250 nan 0.000 0.475 460 Y N 5.334 125.588 120.300 -0.078 0.000 2.496 460 Y HA 0.110 4.661 4.550 0.001 0.000 0.334 460 Y C -2.114 173.510 175.900 -0.461 0.000 1.080 460 Y CA -2.231 55.492 58.100 -0.627 0.000 1.355 460 Y CB 0.455 38.372 38.460 -0.905 0.000 1.193 460 Y HN 0.477 nan 8.280 nan 0.000 0.523 461 P HA 0.049 nan 4.420 nan 0.000 0.267 461 P C -1.323 175.646 177.300 -0.552 0.000 1.205 461 P CA 0.171 62.947 63.100 -0.540 0.000 0.765 461 P CB 0.638 32.040 31.700 -0.496 0.000 0.828 462 V N 4.354 124.074 119.914 -0.324 0.000 2.325 462 V HA 0.267 4.388 4.120 0.001 0.000 0.280 462 V C -0.401 175.509 176.094 -0.308 0.000 1.016 462 V CA -0.444 61.707 62.300 -0.249 0.000 0.818 462 V CB 1.317 33.055 31.823 -0.141 0.000 1.019 462 V HN 0.438 nan 8.190 nan 0.000 0.434 463 D N 4.133 124.346 120.400 -0.312 0.000 2.256 463 D HA 0.584 5.225 4.640 0.001 0.000 0.246 463 D C -0.247 175.809 176.300 -0.408 0.000 1.042 463 D CA -0.304 53.444 54.000 -0.419 0.000 0.841 463 D CB 2.695 43.251 40.800 -0.407 0.000 1.223 463 D HN 0.294 nan 8.370 nan 0.000 0.470 464 L N 1.315 122.253 121.223 -0.476 0.000 2.350 464 L HA 0.263 4.604 4.340 0.001 0.000 0.275 464 L C 1.182 177.788 176.870 -0.439 0.000 1.099 464 L CA -0.707 53.911 54.840 -0.370 0.000 0.808 464 L CB 1.015 42.988 42.059 -0.144 0.000 1.149 464 L HN 0.387 nan 8.230 nan 0.000 0.442 465 S N 0.701 116.136 115.700 -0.441 0.000 2.576 465 S HA -0.002 4.468 4.470 0.001 0.000 0.272 465 S C 1.178 175.861 174.600 0.138 0.000 1.352 465 S CA -0.254 57.791 58.200 -0.259 0.000 1.021 465 S CB 0.961 63.934 63.200 -0.378 0.000 0.887 465 S HN 0.686 nan 8.310 nan 0.000 0.542 466 T N 1.539 116.311 114.554 0.364 0.000 2.653 466 T HA -0.166 4.185 4.350 0.001 0.000 0.268 466 T C 1.248 176.137 174.700 0.316 0.000 1.035 466 T CA 2.082 64.426 62.100 0.407 0.000 1.154 466 T CB -0.664 68.361 68.868 0.263 0.000 0.862 466 T HN 0.695 nan 8.240 nan 0.000 0.441 467 D N -0.004 120.514 120.400 0.196 0.000 2.097 467 D HA -0.063 4.578 4.640 0.001 0.000 0.197 467 D C 2.375 178.796 176.300 0.201 0.000 0.984 467 D CA 0.793 54.901 54.000 0.179 0.000 0.826 467 D CB -0.637 40.204 40.800 0.068 0.000 0.973 467 D HN 0.383 nan 8.370 nan 0.000 0.460 468 C N -0.031 119.319 119.300 0.084 0.000 2.429 468 C HA -0.138 4.322 4.460 0.001 0.000 0.277 468 C C 2.638 177.719 174.990 0.151 0.000 1.262 468 C CA 0.585 59.622 59.018 0.030 0.000 1.733 468 C CB -1.549 26.143 27.740 -0.080 0.000 2.010 468 C HN 0.540 nan 8.230 nan 0.000 0.483 469 W N 1.795 123.116 121.300 0.035 0.000 2.379 469 W HA -0.062 4.599 4.660 0.001 0.000 0.307 469 W C 2.242 178.826 176.519 0.108 0.000 1.200 469 W CA 1.838 59.234 57.345 0.085 0.000 1.297 469 W CB -0.401 29.204 29.460 0.240 0.000 1.140 469 W HN 0.305 nan 8.180 nan 0.000 0.507 470 N N -0.763 118.246 118.700 0.515 0.000 2.166 470 N HA -0.225 4.516 4.740 0.001 0.000 0.186 470 N C 1.639 177.205 175.510 0.094 0.000 1.019 470 N CA 1.677 54.909 53.050 0.304 0.000 0.856 470 N CB -1.102 37.550 38.487 0.276 0.000 0.993 470 N HN 0.380 nan 8.380 nan 0.000 0.426 471 H N 0.766 119.855 119.070 0.032 0.000 2.353 471 H HA -0.084 4.472 4.556 0.001 0.000 0.300 471 H C 2.099 177.386 175.328 -0.069 0.000 1.090 471 H CA 1.401 57.440 56.048 -0.015 0.000 1.327 471 H CB 0.257 30.014 29.762 -0.009 0.000 1.383 471 H HN 0.269 nan 8.280 nan 0.000 0.508 472 K N 0.234 120.640 120.400 0.009 0.000 2.026 472 K HA -0.131 4.190 4.320 0.001 0.000 0.208 472 K C 2.106 178.588 176.600 -0.197 0.000 1.048 472 K CA 1.315 57.531 56.287 -0.118 0.000 0.929 472 K CB 0.154 32.532 32.500 -0.203 0.000 0.713 472 K HN 0.071 nan 8.250 nan 0.000 0.439 473 M N 1.280 120.691 119.600 -0.315 0.000 2.200 473 M HA -0.079 4.402 4.480 0.001 0.000 0.265 473 M C 1.605 177.797 176.300 -0.180 0.000 1.066 473 M CA 1.241 56.335 55.300 -0.344 0.000 1.127 473 M CB -1.306 30.934 32.600 -0.601 0.000 1.379 473 M HN 0.160 nan 8.290 nan 0.000 0.420 474 N N 1.129 119.750 118.700 -0.131 0.000 2.084 474 N HA -0.134 4.606 4.740 0.001 0.000 0.190 474 N C 1.790 177.249 175.510 -0.085 0.000 1.030 474 N CA 1.006 53.998 53.050 -0.097 0.000 0.849 474 N CB -0.671 37.751 38.487 -0.109 0.000 1.012 474 N HN 0.223 nan 8.380 nan 0.000 0.423 475 L N 0.806 121.981 121.223 -0.080 0.000 2.046 475 L HA -0.009 4.332 4.340 0.001 0.000 0.208 475 L C 2.031 178.869 176.870 -0.054 0.000 1.077 475 L CA 1.186 55.994 54.840 -0.053 0.000 0.747 475 L CB -0.923 41.119 42.059 -0.029 0.000 0.896 475 L HN 0.070 nan 8.230 nan 0.000 0.432 476 L N -0.056 121.122 121.223 -0.075 0.000 2.012 476 L HA -0.238 4.103 4.340 0.001 0.000 0.210 476 L C 2.574 179.410 176.870 -0.056 0.000 1.073 476 L CA 2.191 56.989 54.840 -0.070 0.000 0.748 476 L CB -0.747 41.250 42.059 -0.104 0.000 0.891 476 L HN 0.558 nan 8.230 nan 0.000 0.431 477 E N -0.825 119.336 120.200 -0.065 0.000 2.058 477 E HA -0.285 4.066 4.350 0.001 0.000 0.194 477 E C 2.243 178.820 176.600 -0.037 0.000 0.997 477 E CA 1.252 57.623 56.400 -0.048 0.000 0.801 477 E CB -0.154 29.516 29.700 -0.051 0.000 0.746 477 E HN 0.279 nan 8.360 nan 0.000 0.450 478 K N 0.477 120.854 120.400 -0.040 0.000 2.057 478 K HA -0.123 4.198 4.320 0.001 0.000 0.207 478 K C 2.051 178.639 176.600 -0.020 0.000 1.049 478 K CA 1.292 57.560 56.287 -0.032 0.000 0.931 478 K CB -0.178 32.302 32.500 -0.033 0.000 0.714 478 K HN 0.133 nan 8.250 nan 0.000 0.440 479 V N 0.728 120.632 119.914 -0.016 0.000 2.453 479 V HA -0.132 3.989 4.120 0.001 0.000 0.247 479 V C 2.451 178.548 176.094 0.005 0.000 1.048 479 V CA 1.439 63.739 62.300 -0.001 0.000 1.049 479 V CB -0.443 31.378 31.823 -0.002 0.000 0.672 479 V HN 0.289 nan 8.190 nan 0.000 0.457 480 R N 0.145 120.642 120.500 -0.005 0.000 2.152 480 R HA -0.124 4.217 4.340 0.001 0.000 0.232 480 R C 2.396 178.697 176.300 0.002 0.000 1.117 480 R CA 1.112 57.212 56.100 -0.000 0.000 0.981 480 R CB -0.161 30.133 30.300 -0.009 0.000 0.870 480 R HN 0.383 nan 8.270 nan 0.000 0.451 481 K N 0.464 120.857 120.400 -0.011 0.000 2.262 481 K HA -0.075 4.245 4.320 0.001 0.000 0.200 481 K C 0.605 177.182 176.600 -0.039 0.000 1.049 481 K CA 1.124 57.394 56.287 -0.027 0.000 0.979 481 K CB 0.313 32.789 32.500 -0.040 0.000 0.773 481 K HN -0.031 nan 8.250 nan 0.000 0.474 482 D N 0.827 121.222 120.400 -0.009 0.000 2.178 482 D HA -0.088 4.553 4.640 0.001 0.000 0.202 482 D C 1.485 177.886 176.300 0.168 0.000 0.974 482 D CA 0.661 54.685 54.000 0.041 0.000 0.841 482 D CB 0.239 41.075 40.800 0.060 0.000 0.953 482 D HN -0.030 nan 8.370 nan 0.000 0.478 483 V N 0.296 120.273 119.914 0.105 0.000 3.646 483 V HA -0.037 4.083 4.120 0.001 0.000 0.277 483 V C 1.894 178.057 176.094 0.115 0.000 1.274 483 V CA 0.506 62.872 62.300 0.110 0.000 1.164 483 V CB 0.032 31.888 31.823 0.055 0.000 0.926 483 V HN -0.023 nan 8.190 nan 0.000 0.442 484 K N 0.709 121.175 120.400 0.109 0.000 2.217 484 K HA -0.063 4.258 4.320 0.001 0.000 0.202 484 K C 1.019 177.705 176.600 0.142 0.000 1.051 484 K CA 0.846 57.176 56.287 0.072 0.000 0.952 484 K CB 0.010 32.511 32.500 0.001 0.000 0.736 484 K HN 0.795 nan 8.250 nan 0.000 0.453 485 H N 0.000 119.070 119.070 0.000 0.000 2.539 485 H HA 0.000 4.557 4.556 0.001 0.000 0.296 485 H CA 0.000 56.048 56.048 0.001 0.000 1.023 485 H CB 0.000 29.762 29.762 0.000 0.000 1.292 485 H HN 0.000 nan 8.280 nan 0.000 0.496