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 3fg2_1_P DATA FIRST_RESID 1 DATA SEQUENCE NDTVLIAGAG HAGFQVAVSL RQAKYPGRIA LINDEKHLPY QRPPLSKAYL DATA SEQUENCE KSGGDPNSLM FRPEKFFQDQ AIELISDRMV SIDREGRKLL LASGTAIEYG DATA SEQUENCE HLVLATGARN RMLDVPNASL PDVLYLRTLD ESEVLRQRMP DKKHVVVIGA DATA SEQUENCE GFIGLEFAAT ARAKGLEVDV VELAPRVMAR VVTPEISSYF HDRHSGAGIR DATA SEQUENCE MHYGVRATEI AAEGDRVTGV VLSDGNTLPC DLVVVGVGVI PNVEIAAAAG DATA SEQUENCE LPTAAGIIVD QQLLTSDPHI SAIGDCALFE SVRFGETMRV ESVQNATDQA DATA SEQUENCE RCVAARLTGD AKPYDGYPWF WSDQGDDKLQ IVGLTAGFDQ VVIRGSVAER DATA SEQUENCE SFSAFCYKAG KLIGIESVNR AADHVFGRKI LPLDKSVTPE QAADLSFDLK DATA SEQUENCE KAAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.513 175.510 0.005 0.000 1.280 1 N CA 0.000 53.029 53.050 -0.036 0.000 0.885 1 N CB 0.000 38.460 38.487 -0.044 0.000 1.341 2 D N -0.356 120.065 120.400 0.034 0.000 2.454 2 D HA 0.164 4.804 4.640 -0.000 0.000 0.219 2 D C -0.296 176.101 176.300 0.163 0.000 1.081 2 D CA 0.780 54.824 54.000 0.072 0.000 0.867 2 D CB 0.494 41.303 40.800 0.015 0.000 1.054 2 D HN 0.460 nan 8.370 nan 0.000 0.500 3 T N 0.520 115.155 114.554 0.135 0.000 2.940 3 T HA 0.238 4.588 4.350 -0.000 0.000 0.309 3 T C 0.043 174.855 174.700 0.186 0.000 1.056 3 T CA -0.084 62.114 62.100 0.163 0.000 1.137 3 T CB 1.671 70.609 68.868 0.117 0.000 0.976 3 T HN -0.214 nan 8.240 nan 0.000 0.547 4 V N 4.688 124.690 119.914 0.145 0.000 2.357 4 V HA 0.327 4.447 4.120 -0.000 0.000 0.284 4 V C -0.392 175.726 176.094 0.040 0.000 1.018 4 V CA -0.798 61.539 62.300 0.062 0.000 0.841 4 V CB 1.310 33.056 31.823 -0.128 0.000 0.991 4 V HN 0.562 nan 8.190 nan 0.000 0.437 5 L N 6.640 127.882 121.223 0.032 0.000 2.282 5 L HA 0.569 4.909 4.340 -0.000 0.000 0.288 5 L C -0.212 176.630 176.870 -0.047 0.000 1.033 5 L CA 0.098 54.938 54.840 0.000 0.000 0.807 5 L CB 1.331 43.394 42.059 0.007 0.000 1.209 5 L HN 0.470 nan 8.230 nan 0.000 0.423 6 I N 3.743 124.299 120.570 -0.024 0.000 2.330 6 I HA 0.491 4.661 4.170 -0.000 0.000 0.289 6 I C 0.127 176.233 176.117 -0.019 0.000 1.001 6 I CA -0.589 60.694 61.300 -0.029 0.000 1.193 6 I CB 1.639 39.631 38.000 -0.013 0.000 1.345 6 I HN 0.659 nan 8.210 nan 0.000 0.461 7 A N 5.500 128.299 122.820 -0.035 0.000 2.366 7 A HA 0.772 5.092 4.320 -0.000 0.000 0.322 7 A C 0.418 177.994 177.584 -0.013 0.000 1.397 7 A CA -0.190 51.832 52.037 -0.025 0.000 0.984 7 A CB 0.014 18.989 19.000 -0.042 0.000 1.149 7 A HN 1.072 nan 8.150 nan 0.000 0.540 8 G N 0.677 109.479 108.800 0.003 0.000 3.363 8 G HA2 0.448 4.408 3.960 -0.000 0.000 0.685 8 G HA3 0.448 4.408 3.960 -0.000 0.000 0.685 8 G C -0.192 174.727 174.900 0.032 0.000 1.199 8 G CA -0.276 44.830 45.100 0.011 0.000 0.946 8 G HN 1.981 nan 8.290 nan 0.000 0.558 9 A N 1.634 124.481 122.820 0.044 0.000 3.041 9 A HA 0.819 5.139 4.320 -0.000 0.000 0.307 9 A C 1.213 178.853 177.584 0.094 0.000 1.116 9 A CA 1.028 53.121 52.037 0.094 0.000 1.001 9 A CB -0.109 18.950 19.000 0.098 0.000 1.112 9 A HN 2.019 nan 8.150 nan 0.000 0.556 10 G N -1.029 107.809 108.800 0.064 0.000 2.695 10 G HA2 0.368 4.328 3.960 -0.000 0.000 0.213 10 G HA3 0.368 4.328 3.960 -0.000 0.000 0.213 10 G C 0.664 175.656 174.900 0.153 0.000 1.406 10 G CA -0.103 45.024 45.100 0.045 0.000 1.049 10 G HN 0.474 nan 8.290 nan 0.000 0.573 11 H N -0.234 118.954 119.070 0.197 0.000 2.265 11 H HA -0.092 4.464 4.556 -0.000 0.000 0.295 11 H C 2.846 178.178 175.328 0.006 0.000 1.084 11 H CA 2.657 58.795 56.048 0.150 0.000 1.261 11 H CB -0.219 29.636 29.762 0.155 0.000 1.360 11 H HN 0.420 nan 8.280 nan 0.000 0.487 12 A N 0.311 123.205 122.820 0.122 0.000 1.877 12 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 12 A C 2.716 180.293 177.584 -0.011 0.000 1.186 12 A CA 1.702 53.749 52.037 0.016 0.000 0.620 12 A CB -1.316 17.673 19.000 -0.018 0.000 0.822 12 A HN 0.531 nan 8.150 nan 0.000 0.443 13 G N -1.134 107.681 108.800 0.025 0.000 2.446 13 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 13 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 13 G C 1.486 176.414 174.900 0.045 0.000 1.168 13 G CA 1.233 46.350 45.100 0.029 0.000 0.771 13 G HN 0.528 nan 8.290 nan 0.000 0.551 14 F N 1.331 121.228 119.950 -0.089 0.000 2.134 14 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 14 F C 2.731 178.429 175.800 -0.170 0.000 1.097 14 F CA 2.008 59.936 58.000 -0.121 0.000 1.264 14 F CB -0.331 38.446 39.000 -0.372 0.000 1.001 14 F HN 0.234 nan 8.300 nan 0.000 0.479 15 Q N 0.412 120.012 119.800 -0.334 0.000 2.084 15 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 15 Q C 2.300 178.128 176.000 -0.287 0.000 0.978 15 Q CA 2.056 57.637 55.803 -0.370 0.000 0.844 15 Q CB -0.943 27.698 28.738 -0.161 0.000 0.898 15 Q HN 0.405 nan 8.270 nan 0.000 0.426 16 V N 0.069 119.866 119.914 -0.195 0.000 2.427 16 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 16 V C 1.938 177.922 176.094 -0.185 0.000 1.051 16 V CA 1.913 64.112 62.300 -0.167 0.000 1.048 16 V CB -0.757 30.986 31.823 -0.133 0.000 0.666 16 V HN 0.489 nan 8.190 nan 0.000 0.456 17 A N -0.461 122.246 122.820 -0.188 0.000 1.858 17 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 17 A C 2.354 179.821 177.584 -0.195 0.000 1.190 17 A CA 2.326 54.272 52.037 -0.152 0.000 0.617 17 A CB -0.934 18.024 19.000 -0.069 0.000 0.827 17 A HN 0.415 nan 8.150 nan 0.000 0.443 18 V N -0.077 119.636 119.914 -0.334 0.000 2.261 18 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 18 V C 2.795 178.785 176.094 -0.173 0.000 1.047 18 V CA 2.435 64.566 62.300 -0.282 0.000 1.015 18 V CB -0.862 30.663 31.823 -0.498 0.000 0.642 18 V HN 0.561 nan 8.190 nan 0.000 0.446 19 S N -0.248 115.342 115.700 -0.183 0.000 2.419 19 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 19 S C 1.816 176.362 174.600 -0.090 0.000 1.016 19 S CA 1.132 59.262 58.200 -0.116 0.000 0.974 19 S CB -0.336 62.798 63.200 -0.111 0.000 0.786 19 S HN 0.342 nan 8.310 nan 0.000 0.492 20 L N 1.822 122.976 121.223 -0.115 0.000 2.027 20 L HA 0.026 4.366 4.340 -0.000 0.000 0.206 20 L C 2.364 179.228 176.870 -0.010 0.000 1.074 20 L CA 1.679 56.459 54.840 -0.100 0.000 0.745 20 L CB -0.633 41.314 42.059 -0.186 0.000 0.898 20 L HN 0.083 nan 8.230 nan 0.000 0.433 21 R N -0.496 119.986 120.500 -0.031 0.000 2.066 21 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 21 R C 2.148 178.442 176.300 -0.010 0.000 1.131 21 R CA 1.190 57.283 56.100 -0.011 0.000 0.955 21 R CB -0.750 29.513 30.300 -0.062 0.000 0.851 21 R HN 0.556 nan 8.270 nan 0.000 0.432 22 Q N -0.107 119.678 119.800 -0.025 0.000 2.152 22 Q HA -0.096 4.244 4.340 -0.000 0.000 0.206 22 Q C 1.555 177.553 176.000 -0.003 0.000 0.985 22 Q CA 1.789 57.584 55.803 -0.014 0.000 0.863 22 Q CB -0.159 28.567 28.738 -0.020 0.000 0.904 22 Q HN 0.308 nan 8.270 nan 0.000 0.422 23 A N 0.390 123.212 122.820 0.003 0.000 2.276 23 A HA 0.034 4.353 4.320 -0.000 0.000 0.212 23 A C 0.189 177.795 177.584 0.037 0.000 1.230 23 A CA 0.105 52.152 52.037 0.018 0.000 0.844 23 A CB 0.016 19.027 19.000 0.019 0.000 0.860 23 A HN 0.225 nan 8.150 nan 0.000 0.486 24 K N -1.911 118.508 120.400 0.032 0.000 3.096 24 K HA -0.218 4.102 4.320 -0.000 0.000 0.266 24 K C -0.458 176.169 176.600 0.044 0.000 1.043 24 K CA 0.508 56.810 56.287 0.024 0.000 0.758 24 K CB -2.712 29.788 32.500 -0.000 0.000 1.260 24 K HN 0.633 nan 8.250 nan 0.000 0.481 25 Y N 0.884 121.161 120.300 -0.038 0.000 2.544 25 Y HA 0.111 4.661 4.550 -0.000 0.000 0.330 25 Y C -0.800 175.083 175.900 -0.029 0.000 1.136 25 Y CA -1.509 56.570 58.100 -0.034 0.000 1.417 25 Y CB 0.812 39.248 38.460 -0.039 0.000 1.229 25 Y HN 0.103 nan 8.280 nan 0.000 0.532 26 P HA 0.040 nan 4.420 nan 0.000 0.219 26 P C 0.652 177.769 177.300 -0.306 0.000 1.154 26 P CA 0.834 63.730 63.100 -0.340 0.000 0.826 26 P CB 0.101 31.613 31.700 -0.313 0.000 0.795 27 G N 0.808 109.260 108.800 -0.580 0.000 2.712 27 G HA2 0.030 3.990 3.960 -0.000 0.000 0.258 27 G HA3 0.030 3.990 3.960 -0.000 0.000 0.258 27 G C -0.122 174.865 174.900 0.145 0.000 1.241 27 G CA -0.479 44.553 45.100 -0.114 0.000 0.923 27 G HN 0.242 nan 8.290 nan 0.000 0.548 28 R N -0.959 119.635 120.500 0.156 0.000 2.490 28 R HA 0.427 4.767 4.340 -0.000 0.000 0.278 28 R C -0.640 175.752 176.300 0.152 0.000 1.069 28 R CA -0.333 55.842 56.100 0.125 0.000 1.080 28 R CB 0.319 30.669 30.300 0.084 0.000 1.030 28 R HN 0.359 nan 8.270 nan 0.000 0.491 29 I N 3.160 123.791 120.570 0.102 0.000 2.468 29 I HA 0.309 4.479 4.170 -0.000 0.000 0.284 29 I C -0.699 175.455 176.117 0.062 0.000 1.038 29 I CA -0.693 60.648 61.300 0.069 0.000 1.083 29 I CB 1.944 39.971 38.000 0.046 0.000 1.223 29 I HN 0.641 nan 8.210 nan 0.000 0.443 30 A N 7.568 130.421 122.820 0.055 0.000 2.288 30 A HA 0.692 5.012 4.320 -0.000 0.000 0.320 30 A C -0.841 176.771 177.584 0.046 0.000 1.217 30 A CA -0.442 51.627 52.037 0.053 0.000 0.840 30 A CB 1.063 20.093 19.000 0.050 0.000 1.179 30 A HN 0.752 nan 8.150 nan 0.000 0.504 31 L N 4.605 125.862 121.223 0.057 0.000 2.283 31 L HA 0.415 4.755 4.340 -0.000 0.000 0.281 31 L C -0.894 175.994 176.870 0.030 0.000 1.033 31 L CA -0.592 54.283 54.840 0.058 0.000 0.848 31 L CB 0.535 42.664 42.059 0.117 0.000 1.226 31 L HN 0.669 nan 8.230 nan 0.000 0.429 32 I N 4.239 124.821 120.570 0.020 0.000 2.436 32 I HA 0.041 4.211 4.170 -0.000 0.000 0.289 32 I C 0.170 176.293 176.117 0.010 0.000 1.083 32 I CA 0.195 61.501 61.300 0.010 0.000 1.372 32 I CB 0.372 38.376 38.000 0.007 0.000 1.408 32 I HN 0.521 nan 8.210 nan 0.000 0.516 33 N N 5.676 124.377 118.700 0.002 0.000 2.518 33 N HA 0.121 4.861 4.740 -0.000 0.000 0.254 33 N C 0.085 175.600 175.510 0.008 0.000 0.979 33 N CA -0.726 52.329 53.050 0.008 0.000 0.930 33 N CB 0.880 39.362 38.487 -0.008 0.000 1.152 33 N HN 0.487 nan 8.380 nan 0.000 0.505 34 D N 1.668 122.079 120.400 0.018 0.000 2.325 34 D HA 0.040 4.680 4.640 -0.000 0.000 0.234 34 D C -0.571 175.748 176.300 0.031 0.000 1.122 34 D CA 0.353 54.362 54.000 0.016 0.000 0.850 34 D CB -0.039 40.768 40.800 0.012 0.000 0.921 34 D HN 0.514 nan 8.370 nan 0.000 0.513 35 E N 0.134 120.368 120.200 0.056 0.000 2.238 35 E HA 0.258 4.608 4.350 -0.000 0.000 0.267 35 E C -0.281 176.332 176.600 0.021 0.000 0.887 35 E CA -0.857 55.602 56.400 0.098 0.000 0.769 35 E CB 1.857 31.710 29.700 0.254 0.000 1.187 35 E HN -0.032 nan 8.360 nan 0.000 0.416 36 K N 2.347 122.674 120.400 -0.121 0.000 3.358 36 K HA 0.084 4.404 4.320 -0.000 0.000 0.297 36 K C -0.817 175.391 176.600 -0.653 0.000 1.064 36 K CA 0.331 56.421 56.287 -0.329 0.000 1.144 36 K CB -0.349 31.933 32.500 -0.363 0.000 1.289 36 K HN 0.366 nan 8.250 nan 0.000 0.372 37 H N -1.410 117.661 119.070 0.003 0.000 3.046 37 H HA 0.267 4.823 4.556 -0.000 0.000 0.361 37 H C -0.553 174.796 175.328 0.036 0.000 1.235 37 H CA -0.886 55.158 56.048 -0.007 0.000 1.146 37 H CB 1.111 30.832 29.762 -0.069 0.000 1.859 37 H HN -0.053 nan 8.280 nan 0.000 0.548 38 L N 2.637 123.946 121.223 0.142 0.000 2.467 38 L HA 0.218 4.558 4.340 -0.000 0.000 0.270 38 L C -2.012 174.953 176.870 0.159 0.000 1.205 38 L CA -1.757 53.128 54.840 0.075 0.000 0.828 38 L CB -0.025 42.090 42.059 0.092 0.000 1.101 38 L HN 0.359 nan 8.230 nan 0.000 0.479 39 P HA -0.083 nan 4.420 nan 0.000 0.261 39 P C -1.437 175.844 177.300 -0.031 0.000 1.165 39 P CA 0.726 63.922 63.100 0.159 0.000 0.759 39 P CB 0.069 31.974 31.700 0.341 0.000 0.772 40 Y N 0.120 120.165 120.300 -0.425 0.000 2.634 40 Y HA 0.586 5.136 4.550 -0.000 0.000 0.340 40 Y C -0.397 174.758 175.900 -1.242 0.000 1.058 40 Y CA -1.572 56.015 58.100 -0.856 0.000 1.081 40 Y CB 0.982 39.153 38.460 -0.482 0.000 1.295 40 Y HN 0.239 nan 8.280 nan 0.000 0.487 41 Q N 1.065 120.339 119.800 -0.877 0.000 2.288 41 Q HA 0.345 4.685 4.340 -0.000 0.000 0.254 41 Q C 0.040 176.027 176.000 -0.022 0.000 0.932 41 Q CA -0.643 54.845 55.803 -0.525 0.000 0.902 41 Q CB 1.660 30.257 28.738 -0.235 0.000 1.203 41 Q HN 0.650 nan 8.270 nan 0.000 0.415 42 R N 2.128 122.771 120.500 0.239 0.000 2.075 42 R HA 0.038 4.378 4.340 -0.000 0.000 0.220 42 R C -0.898 175.460 176.300 0.096 0.000 1.118 42 R CA 0.605 56.799 56.100 0.156 0.000 0.986 42 R CB -1.235 29.146 30.300 0.135 0.000 0.884 42 R HN 0.485 nan 8.270 nan 0.000 0.439 43 P HA -0.146 nan 4.420 nan 0.000 0.218 43 P C -1.546 175.820 177.300 0.109 0.000 1.154 43 P CA 1.899 65.031 63.100 0.053 0.000 0.872 43 P CB -0.696 31.105 31.700 0.168 0.000 0.790 44 P HA -0.047 nan 4.420 nan 0.000 0.226 44 P C 1.300 178.690 177.300 0.150 0.000 1.153 44 P CA 0.868 64.054 63.100 0.143 0.000 0.777 44 P CB -0.501 31.273 31.700 0.124 0.000 0.794 45 L N -0.511 120.769 121.223 0.095 0.000 2.079 45 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 45 L C 1.798 178.763 176.870 0.158 0.000 1.081 45 L CA 2.015 56.911 54.840 0.093 0.000 0.752 45 L CB -0.902 41.183 42.059 0.044 0.000 0.896 45 L HN 0.133 nan 8.230 nan 0.000 0.433 46 S N -2.627 113.155 115.700 0.136 0.000 2.568 46 S HA 0.244 4.714 4.470 -0.000 0.000 0.232 46 S C 0.605 175.301 174.600 0.160 0.000 0.975 46 S CA -0.634 57.663 58.200 0.161 0.000 0.949 46 S CB 0.419 63.696 63.200 0.128 0.000 0.829 46 S HN 0.318 nan 8.310 nan 0.000 0.479 47 K N 0.756 121.250 120.400 0.156 0.000 3.224 47 K HA 0.702 5.022 4.320 -0.000 0.000 0.302 47 K C 1.873 178.553 176.600 0.134 0.000 0.977 47 K CA -0.176 56.194 56.287 0.140 0.000 1.343 47 K CB -0.573 32.014 32.500 0.146 0.000 3.431 47 K HN 0.027 nan 8.250 nan 0.000 1.096 48 A N 0.901 123.799 122.820 0.130 0.000 1.915 48 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 48 A C 2.148 179.792 177.584 0.100 0.000 1.198 48 A CA 2.165 54.264 52.037 0.104 0.000 0.647 48 A CB -1.125 17.939 19.000 0.107 0.000 0.825 48 A HN 0.598 nan 8.150 nan 0.000 0.456 49 Y N -0.070 120.252 120.300 0.036 0.000 2.102 49 Y HA -0.227 4.323 4.550 -0.000 0.000 0.280 49 Y C 1.893 177.808 175.900 0.025 0.000 1.178 49 Y CA 1.926 60.037 58.100 0.018 0.000 1.146 49 Y CB -0.404 38.057 38.460 0.002 0.000 0.968 49 Y HN 0.217 nan 8.280 nan 0.000 0.504 50 L N 0.346 121.587 121.223 0.031 0.000 2.447 50 L HA -0.201 4.139 4.340 -0.000 0.000 0.225 50 L C 1.705 178.526 176.870 -0.082 0.000 1.148 50 L CA 1.689 56.521 54.840 -0.013 0.000 0.808 50 L CB -0.710 41.419 42.059 0.117 0.000 0.928 50 L HN 0.281 nan 8.230 nan 0.000 0.448 51 K N -1.857 118.491 120.400 -0.087 0.000 2.374 51 K HA 0.169 4.489 4.320 -0.000 0.000 0.202 51 K C 1.130 177.665 176.600 -0.109 0.000 1.040 51 K CA 0.158 56.401 56.287 -0.074 0.000 1.085 51 K CB 0.426 32.911 32.500 -0.026 0.000 0.873 51 K HN 0.282 nan 8.250 nan 0.000 0.539 52 S N -0.468 115.115 115.700 -0.194 0.000 2.632 52 S HA 0.227 4.697 4.470 -0.000 0.000 0.267 52 S C 1.298 175.776 174.600 -0.204 0.000 1.193 52 S CA -0.289 57.800 58.200 -0.184 0.000 1.003 52 S CB 0.904 63.982 63.200 -0.202 0.000 1.073 52 S HN 0.166 nan 8.310 nan 0.000 0.553 53 G N -1.506 107.207 108.800 -0.145 0.000 3.141 53 G HA2 0.451 4.411 3.960 -0.000 0.000 0.218 53 G HA3 0.451 4.411 3.960 -0.000 0.000 0.218 53 G C 0.921 175.747 174.900 -0.123 0.000 1.170 53 G CA -0.059 44.976 45.100 -0.108 0.000 0.769 53 G HN 1.882 nan 8.290 nan 0.000 0.546 54 G N 0.501 109.163 108.800 -0.230 0.000 2.291 54 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.271 54 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.271 54 G C -0.159 174.797 174.900 0.095 0.000 1.099 54 G CA 0.066 45.083 45.100 -0.138 0.000 0.919 54 G HN 0.444 nan 8.290 nan 0.000 0.496 55 D N 0.276 120.750 120.400 0.122 0.000 2.363 55 D HA 0.214 4.854 4.640 -0.000 0.000 0.263 55 D C 0.141 176.516 176.300 0.126 0.000 1.258 55 D CA -1.341 52.722 54.000 0.105 0.000 0.907 55 D CB 0.877 41.725 40.800 0.080 0.000 1.107 55 D HN 0.151 nan 8.370 nan 0.000 0.495 56 P HA -0.204 nan 4.420 nan 0.000 0.222 56 P C -0.219 177.076 177.300 -0.008 0.000 1.147 56 P CA 1.588 64.716 63.100 0.047 0.000 0.958 56 P CB 0.189 31.915 31.700 0.044 0.000 0.788 57 N N -2.618 116.082 118.700 0.001 0.000 2.660 57 N HA 0.108 4.848 4.740 -0.000 0.000 0.316 57 N C 0.225 175.719 175.510 -0.028 0.000 1.774 57 N CA -0.060 52.971 53.050 -0.031 0.000 0.946 57 N CB -0.124 38.368 38.487 0.009 0.000 1.322 57 N HN 0.045 nan 8.380 nan 0.000 0.492 58 S N -1.037 114.649 115.700 -0.022 0.000 2.558 58 S HA 0.137 4.607 4.470 -0.000 0.000 0.217 58 S C 1.086 175.664 174.600 -0.037 0.000 0.975 58 S CA 0.100 58.303 58.200 0.005 0.000 0.912 58 S CB 0.001 63.244 63.200 0.071 0.000 0.776 58 S HN 0.305 nan 8.310 nan 0.000 0.526 59 L N 1.259 122.410 121.223 -0.119 0.000 2.693 59 L HA 0.408 4.748 4.340 -0.000 0.000 0.235 59 L C 0.741 177.477 176.870 -0.223 0.000 1.127 59 L CA -0.328 54.411 54.840 -0.168 0.000 0.914 59 L CB -0.332 41.577 42.059 -0.250 0.000 1.193 59 L HN 0.394 nan 8.230 nan 0.000 0.502 60 M N -1.835 117.669 119.600 -0.160 0.000 2.250 60 M HA 0.056 4.536 4.480 -0.000 0.000 0.337 60 M C 0.598 176.759 176.300 -0.230 0.000 1.161 60 M CA 0.591 55.798 55.300 -0.156 0.000 1.088 60 M CB 0.260 32.845 32.600 -0.026 0.000 1.639 60 M HN -0.143 nan 8.290 nan 0.000 0.447 61 F N 0.804 120.582 119.950 -0.287 0.000 2.031 61 F HA 0.004 4.531 4.527 -0.000 0.000 0.295 61 F C 1.488 177.058 175.800 -0.383 0.000 1.133 61 F CA 1.209 58.909 58.000 -0.500 0.000 1.188 61 F CB 0.044 38.264 39.000 -1.299 0.000 0.974 61 F HN 0.545 nan 8.300 nan 0.000 0.473 62 R N -0.331 120.077 120.500 -0.153 0.000 2.867 62 R HA 0.375 4.715 4.340 -0.000 0.000 0.268 62 R C -2.643 173.707 176.300 0.083 0.000 1.014 62 R CA -2.365 53.630 56.100 -0.176 0.000 0.946 62 R CB 0.328 30.213 30.300 -0.692 0.000 1.208 62 R HN -0.115 nan 8.270 nan 0.000 0.477 63 P HA 0.099 nan 4.420 nan 0.000 0.274 63 P C 0.275 177.794 177.300 0.366 0.000 1.246 63 P CA -0.244 62.978 63.100 0.203 0.000 0.795 63 P CB 0.959 32.743 31.700 0.141 0.000 1.006 64 E N 1.172 121.563 120.200 0.318 0.000 2.086 64 E HA -0.269 4.081 4.350 -0.000 0.000 0.200 64 E C 1.887 178.722 176.600 0.391 0.000 1.012 64 E CA 1.771 58.388 56.400 0.361 0.000 0.812 64 E CB -0.208 29.604 29.700 0.187 0.000 0.743 64 E HN 0.392 nan 8.360 nan 0.000 0.453 65 K N -0.418 120.140 120.400 0.264 0.000 2.281 65 K HA -0.204 4.116 4.320 -0.000 0.000 0.203 65 K C 1.910 178.635 176.600 0.208 0.000 1.046 65 K CA 1.205 57.612 56.287 0.201 0.000 0.938 65 K CB -0.311 32.275 32.500 0.142 0.000 0.737 65 K HN 0.200 nan 8.250 nan 0.000 0.458 66 F N 0.822 120.829 119.950 0.095 0.000 2.095 66 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 66 F C 1.380 177.119 175.800 -0.101 0.000 1.104 66 F CA 1.607 59.573 58.000 -0.056 0.000 1.232 66 F CB -0.409 38.470 39.000 -0.201 0.000 0.987 66 F HN -0.038 nan 8.300 nan 0.000 0.475 67 F N 0.845 120.850 119.950 0.091 0.000 2.269 67 F HA -0.202 4.325 4.527 -0.000 0.000 0.301 67 F C 2.429 178.172 175.800 -0.095 0.000 1.082 67 F CA 1.559 59.543 58.000 -0.027 0.000 1.360 67 F CB -1.039 38.045 39.000 0.139 0.000 1.041 67 F HN 0.116 nan 8.300 nan 0.000 0.512 68 Q N 0.078 119.946 119.800 0.113 0.000 2.049 68 Q HA -0.148 4.192 4.340 -0.000 0.000 0.198 68 Q C 1.591 177.566 176.000 -0.041 0.000 0.971 68 Q CA 1.425 57.258 55.803 0.049 0.000 0.833 68 Q CB -0.343 28.438 28.738 0.071 0.000 0.896 68 Q HN 0.304 nan 8.270 nan 0.000 0.434 69 D N 0.664 121.010 120.400 -0.090 0.000 2.218 69 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 69 D C 1.619 177.796 176.300 -0.206 0.000 0.976 69 D CA 0.950 54.876 54.000 -0.124 0.000 0.853 69 D CB -0.014 40.720 40.800 -0.110 0.000 0.939 69 D HN 0.170 nan 8.370 nan 0.000 0.481 70 Q N -0.647 118.945 119.800 -0.347 0.000 2.319 70 Q HA 0.339 4.679 4.340 -0.000 0.000 0.202 70 Q C 0.788 176.677 176.000 -0.184 0.000 0.896 70 Q CA 0.414 55.994 55.803 -0.371 0.000 0.942 70 Q CB 0.570 28.863 28.738 -0.743 0.000 1.083 70 Q HN 0.214 nan 8.270 nan 0.000 0.510 71 A N 0.972 123.729 122.820 -0.105 0.000 2.860 71 A HA -0.198 4.122 4.320 -0.000 0.000 0.267 71 A C 0.162 177.748 177.584 0.002 0.000 1.421 71 A CA 0.511 52.529 52.037 -0.032 0.000 0.831 71 A CB -2.312 16.672 19.000 -0.027 0.000 1.041 71 A HN 0.364 nan 8.150 nan 0.000 0.623 72 I N 0.655 121.237 120.570 0.019 0.000 2.306 72 I HA 0.173 4.343 4.170 -0.000 0.000 0.288 72 I C 0.709 176.924 176.117 0.162 0.000 1.036 72 I CA -0.169 61.192 61.300 0.102 0.000 1.221 72 I CB 1.193 39.289 38.000 0.160 0.000 1.385 72 I HN 0.430 nan 8.210 nan 0.000 0.472 73 E N 6.151 126.414 120.200 0.105 0.000 2.159 73 E HA 0.062 4.412 4.350 -0.000 0.000 0.272 73 E C -0.818 175.822 176.600 0.066 0.000 1.138 73 E CA -0.592 55.855 56.400 0.079 0.000 0.915 73 E CB 0.698 30.431 29.700 0.055 0.000 1.028 73 E HN 0.344 nan 8.360 nan 0.000 0.423 74 L N 7.439 128.680 121.223 0.030 0.000 2.282 74 L HA 0.300 4.640 4.340 -0.000 0.000 0.287 74 L C -0.750 176.088 176.870 -0.052 0.000 1.075 74 L CA 0.064 54.863 54.840 -0.067 0.000 0.839 74 L CB 0.433 42.324 42.059 -0.280 0.000 1.219 74 L HN 0.478 nan 8.230 nan 0.000 0.434 75 I N 3.334 123.888 120.570 -0.025 0.000 2.304 75 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 75 I C 0.698 176.801 176.117 -0.024 0.000 1.018 75 I CA -0.249 61.041 61.300 -0.017 0.000 1.260 75 I CB 1.312 39.313 38.000 0.002 0.000 1.390 75 I HN 0.525 nan 8.210 nan 0.000 0.475 76 S N 5.122 120.804 115.700 -0.029 0.000 3.517 76 S HA 0.147 4.617 4.470 -0.000 0.000 0.284 76 S C -0.453 174.136 174.600 -0.018 0.000 1.260 76 S CA 0.017 58.200 58.200 -0.029 0.000 0.975 76 S CB -0.618 62.560 63.200 -0.037 0.000 1.540 76 S HN 0.711 nan 8.310 nan 0.000 0.506 77 D N 1.073 121.466 120.400 -0.010 0.000 3.057 77 D HA 0.524 5.164 4.640 -0.000 0.000 0.328 77 D C -1.014 175.285 176.300 -0.001 0.000 1.317 77 D CA -0.677 53.319 54.000 -0.005 0.000 0.973 77 D CB 1.068 41.868 40.800 -0.001 0.000 1.424 77 D HN 0.396 nan 8.370 nan 0.000 0.569 78 R N 0.636 121.137 120.500 0.001 0.000 2.584 78 R HA 0.477 4.817 4.340 -0.000 0.000 0.276 78 R C -1.203 175.098 176.300 0.003 0.000 1.046 78 R CA -0.729 55.371 56.100 0.001 0.000 0.906 78 R CB 1.274 31.574 30.300 -0.000 0.000 1.215 78 R HN 0.607 nan 8.270 nan 0.000 0.449 79 M N 3.614 123.215 119.600 0.001 0.000 2.235 79 M HA 0.309 4.789 4.480 -0.000 0.000 0.351 79 M C 0.044 176.345 176.300 0.002 0.000 1.178 79 M CA -0.017 55.285 55.300 0.003 0.000 1.143 79 M CB 1.700 34.299 32.600 -0.002 0.000 1.530 79 M HN 0.466 nan 8.290 nan 0.000 0.461 80 V N -1.106 118.811 119.914 0.006 0.000 3.539 80 V HA 0.433 4.553 4.120 -0.000 0.000 0.262 80 V C 0.407 176.505 176.094 0.006 0.000 1.381 80 V CA 0.439 62.741 62.300 0.003 0.000 1.060 80 V CB 0.126 31.951 31.823 0.003 0.000 0.842 80 V HN 0.954 nan 8.190 nan 0.000 0.445 81 S N -0.494 115.214 115.700 0.013 0.000 2.570 81 S HA 0.801 5.271 4.470 -0.000 0.000 0.270 81 S C -1.580 173.041 174.600 0.034 0.000 1.149 81 S CA -0.594 57.617 58.200 0.019 0.000 0.837 81 S CB 2.055 65.266 63.200 0.019 0.000 1.124 81 S HN 0.331 nan 8.310 nan 0.000 0.465 82 I N 2.828 123.422 120.570 0.040 0.000 2.447 82 I HA 0.335 4.505 4.170 -0.000 0.000 0.287 82 I C -1.199 174.967 176.117 0.082 0.000 1.023 82 I CA -0.582 60.762 61.300 0.074 0.000 1.083 82 I CB 1.974 40.006 38.000 0.053 0.000 1.245 82 I HN 0.550 nan 8.210 nan 0.000 0.434 83 D N 6.462 126.925 120.400 0.105 0.000 2.500 83 D HA 0.224 4.864 4.640 -0.000 0.000 0.219 83 D C 1.207 177.557 176.300 0.084 0.000 1.137 83 D CA -0.187 53.853 54.000 0.066 0.000 0.946 83 D CB 0.646 41.465 40.800 0.032 0.000 1.022 83 D HN 0.414 nan 8.370 nan 0.000 0.518 84 R N 1.642 122.199 120.500 0.095 0.000 2.083 84 R HA -0.156 4.184 4.340 -0.000 0.000 0.237 84 R C 1.835 178.170 176.300 0.058 0.000 1.137 84 R CA 1.303 57.472 56.100 0.115 0.000 0.951 84 R CB 0.040 30.386 30.300 0.078 0.000 0.851 84 R HN 0.487 nan 8.270 nan 0.000 0.434 85 E N -0.039 120.177 120.200 0.027 0.000 2.058 85 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 85 E C 1.679 178.268 176.600 -0.018 0.000 0.997 85 E CA 1.417 57.822 56.400 0.008 0.000 0.801 85 E CB -0.128 29.574 29.700 0.004 0.000 0.746 85 E HN 0.449 nan 8.360 nan 0.000 0.450 86 G N -0.244 108.535 108.800 -0.035 0.000 2.985 86 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.209 86 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.209 86 G C 0.105 174.904 174.900 -0.167 0.000 1.165 86 G CA -0.034 45.022 45.100 -0.073 0.000 0.776 86 G HN 0.215 nan 8.290 nan 0.000 0.541 87 R N -0.756 119.611 120.500 -0.222 0.000 3.301 87 R HA -0.179 4.161 4.340 -0.000 0.000 0.249 87 R C -0.463 175.324 176.300 -0.855 0.000 0.964 87 R CA 0.837 56.535 56.100 -0.671 0.000 0.653 87 R CB -1.446 28.458 30.300 -0.660 0.000 1.043 87 R HN 0.373 nan 8.270 nan 0.000 0.454 88 K N 0.574 120.808 120.400 -0.276 0.000 2.316 88 K HA 0.438 4.758 4.320 -0.000 0.000 0.251 88 K C -0.679 176.033 176.600 0.187 0.000 0.934 88 K CA -0.960 55.292 56.287 -0.058 0.000 0.802 88 K CB 1.794 34.271 32.500 -0.038 0.000 1.171 88 K HN -0.106 nan 8.250 nan 0.000 0.426 89 L N 4.826 126.188 121.223 0.231 0.000 2.265 89 L HA 0.387 4.727 4.340 -0.000 0.000 0.289 89 L C -1.108 175.818 176.870 0.093 0.000 1.033 89 L CA -0.556 54.396 54.840 0.187 0.000 0.814 89 L CB 0.920 43.087 42.059 0.179 0.000 1.203 89 L HN 0.681 nan 8.230 nan 0.000 0.423 90 L N 6.211 127.474 121.223 0.067 0.000 2.268 90 L HA 0.352 4.692 4.340 -0.000 0.000 0.289 90 L C -0.141 176.746 176.870 0.029 0.000 1.064 90 L CA -0.355 54.509 54.840 0.040 0.000 0.824 90 L CB 0.730 42.808 42.059 0.032 0.000 1.202 90 L HN 0.601 nan 8.230 nan 0.000 0.433 91 L N 3.737 124.974 121.223 0.024 0.000 2.490 91 L HA 0.352 4.692 4.340 -0.000 0.000 0.245 91 L C 1.436 178.312 176.870 0.010 0.000 1.185 91 L CA -0.104 54.745 54.840 0.016 0.000 0.813 91 L CB 0.769 42.837 42.059 0.015 0.000 1.233 91 L HN 0.694 nan 8.230 nan 0.000 0.489 92 A N -0.300 122.523 122.820 0.006 0.000 2.081 92 A HA -0.064 4.256 4.320 -0.000 0.000 0.214 92 A C 2.079 179.664 177.584 0.002 0.000 1.158 92 A CA 0.938 52.977 52.037 0.003 0.000 0.724 92 A CB -0.493 18.506 19.000 -0.000 0.000 0.826 92 A HN 0.802 nan 8.150 nan 0.000 0.463 93 S N -1.645 114.056 115.700 0.002 0.000 2.547 93 S HA 0.296 4.766 4.470 -0.000 0.000 0.235 93 S C 1.547 176.149 174.600 0.002 0.000 0.980 93 S CA 1.245 59.446 58.200 0.001 0.000 0.941 93 S CB -0.347 62.853 63.200 0.001 0.000 0.763 93 S HN 1.791 nan 8.310 nan 0.000 0.532 94 G N 0.223 109.026 108.800 0.004 0.000 2.258 94 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.233 94 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.233 94 G C 0.338 175.242 174.900 0.007 0.000 1.006 94 G CA 0.079 45.182 45.100 0.005 0.000 0.620 94 G HN 0.642 nan 8.290 nan 0.000 0.511 95 T N 1.104 115.663 114.554 0.008 0.000 2.734 95 T HA 0.562 4.912 4.350 -0.000 0.000 0.314 95 T C 0.453 175.163 174.700 0.016 0.000 1.057 95 T CA 1.043 63.149 62.100 0.011 0.000 1.047 95 T CB 1.454 70.329 68.868 0.011 0.000 0.991 95 T HN 1.717 nan 8.240 nan 0.000 0.540 96 A N 0.906 123.737 122.820 0.018 0.000 2.549 96 A HA 0.782 5.102 4.320 -0.000 0.000 0.297 96 A C -1.281 176.321 177.584 0.030 0.000 1.061 96 A CA -0.771 51.281 52.037 0.026 0.000 0.690 96 A CB 1.259 20.270 19.000 0.018 0.000 1.287 96 A HN 0.740 nan 8.150 nan 0.000 0.402 97 I N 0.831 121.430 120.570 0.048 0.000 2.686 97 I HA 0.331 4.501 4.170 -0.000 0.000 0.295 97 I C -0.326 175.827 176.117 0.060 0.000 1.114 97 I CA -0.492 60.840 61.300 0.054 0.000 1.038 97 I CB 2.442 40.486 38.000 0.072 0.000 1.238 97 I HN 0.745 nan 8.210 nan 0.000 0.420 98 E N 3.977 124.186 120.200 0.015 0.000 2.319 98 E HA 0.420 4.770 4.350 -0.000 0.000 0.268 98 E C -1.667 174.940 176.600 0.011 0.000 1.050 98 E CA -0.478 55.881 56.400 -0.068 0.000 0.878 98 E CB 1.581 31.230 29.700 -0.086 0.000 1.066 98 E HN 0.438 nan 8.360 nan 0.000 0.406 99 Y N -1.876 118.420 120.300 -0.007 0.000 2.553 99 Y HA 0.616 5.166 4.550 -0.000 0.000 0.347 99 Y C 0.633 176.516 175.900 -0.029 0.000 1.019 99 Y CA -1.103 56.995 58.100 -0.004 0.000 1.032 99 Y CB 0.983 39.442 38.460 -0.001 0.000 1.284 99 Y HN 0.454 nan 8.280 nan 0.000 0.466 100 G N 0.115 109.045 108.800 0.217 0.000 2.437 100 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.212 100 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.212 100 G C -0.291 174.738 174.900 0.214 0.000 1.174 100 G CA 0.556 45.719 45.100 0.106 0.000 0.811 100 G HN 0.732 nan 8.290 nan 0.000 0.537 101 H N -0.902 118.294 119.070 0.209 0.000 2.771 101 H HA 0.499 5.055 4.556 -0.000 0.000 0.361 101 H C -1.714 173.585 175.328 -0.048 0.000 1.108 101 H CA -0.771 55.354 56.048 0.129 0.000 1.201 101 H CB 2.293 32.083 29.762 0.047 0.000 1.681 101 H HN 0.114 nan 8.280 nan 0.000 0.534 102 L N 5.711 126.687 121.223 -0.411 0.000 2.296 102 L HA 0.384 4.724 4.340 -0.000 0.000 0.286 102 L C -1.308 175.458 176.870 -0.173 0.000 1.023 102 L CA -0.495 54.052 54.840 -0.489 0.000 0.812 102 L CB 1.168 42.611 42.059 -1.028 0.000 1.223 102 L HN 0.318 nan 8.230 nan 0.000 0.421 103 V N 6.802 126.665 119.914 -0.085 0.000 2.357 103 V HA 0.383 4.503 4.120 -0.000 0.000 0.284 103 V C 0.010 176.063 176.094 -0.068 0.000 1.018 103 V CA -0.532 61.747 62.300 -0.034 0.000 0.841 103 V CB 1.399 33.204 31.823 -0.030 0.000 0.991 103 V HN 0.594 nan 8.190 nan 0.000 0.437 104 L N 4.778 125.963 121.223 -0.063 0.000 2.260 104 L HA 0.684 5.024 4.340 -0.000 0.000 0.289 104 L C 0.544 177.388 176.870 -0.043 0.000 1.057 104 L CA -0.173 54.633 54.840 -0.057 0.000 0.811 104 L CB 1.276 43.303 42.059 -0.054 0.000 1.184 104 L HN 0.738 nan 8.230 nan 0.000 0.429 105 A N 1.140 123.940 122.820 -0.034 0.000 3.176 105 A HA 0.257 4.577 4.320 -0.000 0.000 0.265 105 A C 0.916 178.492 177.584 -0.013 0.000 0.936 105 A CA -0.237 51.785 52.037 -0.025 0.000 1.033 105 A CB -0.089 18.898 19.000 -0.021 0.000 1.158 105 A HN 0.732 nan 8.150 nan 0.000 0.485 106 T N -2.893 111.651 114.554 -0.016 0.000 3.148 106 T HA 0.403 4.753 4.350 -0.000 0.000 0.253 106 T C 1.431 176.126 174.700 -0.008 0.000 1.134 106 T CA 1.073 63.167 62.100 -0.011 0.000 1.051 106 T CB -0.342 68.517 68.868 -0.015 0.000 0.959 106 T HN 1.990 nan 8.240 nan 0.000 0.525 107 G N 1.682 110.479 108.800 -0.006 0.000 2.574 107 G HA2 0.152 4.112 3.960 -0.000 0.000 0.282 107 G HA3 0.152 4.112 3.960 -0.000 0.000 0.282 107 G C -0.035 174.862 174.900 -0.006 0.000 1.257 107 G CA -0.014 45.084 45.100 -0.003 0.000 0.956 107 G HN 1.512 nan 8.290 nan 0.000 0.560 108 A N -0.528 122.289 122.820 -0.006 0.000 2.515 108 A HA 0.910 5.230 4.320 -0.000 0.000 0.296 108 A C 0.113 177.688 177.584 -0.015 0.000 1.094 108 A CA 0.516 52.547 52.037 -0.010 0.000 0.718 108 A CB 1.443 20.439 19.000 -0.006 0.000 1.307 108 A HN 1.609 nan 8.150 nan 0.000 0.408 109 R N 1.137 121.622 120.500 -0.025 0.000 2.856 109 R HA 0.533 4.873 4.340 -0.000 0.000 0.258 109 R C -0.780 175.489 176.300 -0.053 0.000 1.066 109 R CA -0.969 55.106 56.100 -0.041 0.000 1.045 109 R CB 0.632 30.899 30.300 -0.055 0.000 1.178 109 R HN 0.606 nan 8.270 nan 0.000 0.499 110 N N 1.241 119.887 118.700 -0.090 0.000 2.454 110 N HA -0.030 4.710 4.740 -0.000 0.000 0.254 110 N C -0.571 174.869 175.510 -0.117 0.000 1.228 110 N CA 0.196 53.181 53.050 -0.108 0.000 0.900 110 N CB 0.738 39.054 38.487 -0.285 0.000 1.089 110 N HN 0.394 nan 8.380 nan 0.000 0.449 111 R N 2.883 123.360 120.500 -0.038 0.000 2.207 111 R HA 0.178 4.518 4.340 -0.000 0.000 0.334 111 R C -0.032 176.276 176.300 0.014 0.000 1.013 111 R CA -0.657 55.430 56.100 -0.021 0.000 0.858 111 R CB 0.404 30.709 30.300 0.008 0.000 1.094 111 R HN 0.429 nan 8.270 nan 0.000 0.457 112 M N 4.579 124.156 119.600 -0.038 0.000 2.248 112 M HA -0.022 4.458 4.480 -0.000 0.000 0.345 112 M C 0.038 176.409 176.300 0.118 0.000 1.243 112 M CA -0.273 55.044 55.300 0.029 0.000 1.090 112 M CB -0.086 32.497 32.600 -0.028 0.000 1.683 112 M HN 0.477 nan 8.290 nan 0.000 0.450 113 L N 4.083 125.436 121.223 0.215 0.000 2.500 113 L HA 0.041 4.381 4.340 -0.000 0.000 0.272 113 L C 0.297 177.204 176.870 0.063 0.000 1.149 113 L CA 0.479 55.383 54.840 0.106 0.000 0.897 113 L CB -0.148 41.949 42.059 0.064 0.000 1.178 113 L HN 0.505 nan 8.230 nan 0.000 0.473 114 D N 4.565 124.986 120.400 0.034 0.000 2.845 114 D HA 0.221 4.861 4.640 -0.000 0.000 0.235 114 D C -0.936 175.369 176.300 0.009 0.000 1.158 114 D CA 0.221 54.232 54.000 0.019 0.000 0.990 114 D CB -0.087 40.719 40.800 0.011 0.000 1.094 114 D HN 0.279 nan 8.370 nan 0.000 0.486 115 V N 2.123 122.042 119.914 0.008 0.000 3.007 115 V HA 0.407 4.527 4.120 -0.000 0.000 0.311 115 V C -2.207 173.885 176.094 -0.003 0.000 1.120 115 V CA -2.139 60.160 62.300 -0.002 0.000 0.980 115 V CB 2.662 34.479 31.823 -0.011 0.000 1.033 115 V HN 0.202 nan 8.190 nan 0.000 0.429 116 P HA 0.136 nan 4.420 nan 0.000 0.264 116 P C 0.353 177.647 177.300 -0.010 0.000 1.183 116 P CA 0.763 63.859 63.100 -0.007 0.000 0.763 116 P CB 0.015 31.709 31.700 -0.010 0.000 0.807 117 N N 0.780 119.477 118.700 -0.006 0.000 2.778 117 N HA -0.303 4.437 4.740 -0.000 0.000 0.249 117 N C 0.880 176.386 175.510 -0.007 0.000 1.069 117 N CA 0.406 53.452 53.050 -0.008 0.000 0.831 117 N CB -0.960 37.518 38.487 -0.015 0.000 1.142 117 N HN 0.491 nan 8.380 nan 0.000 0.573 118 A N 0.406 123.226 122.820 -0.001 0.000 2.125 118 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 118 A C 1.911 179.512 177.584 0.028 0.000 1.156 118 A CA 1.683 53.723 52.037 0.005 0.000 0.671 118 A CB -0.240 18.773 19.000 0.022 0.000 0.794 118 A HN 0.556 nan 8.150 nan 0.000 0.459 119 S N -0.875 114.844 115.700 0.031 0.000 2.597 119 S HA 0.425 4.894 4.470 -0.000 0.000 0.224 119 S C 0.365 174.981 174.600 0.027 0.000 0.955 119 S CA -0.557 57.670 58.200 0.045 0.000 0.933 119 S CB -0.593 62.629 63.200 0.037 0.000 0.788 119 S HN 0.359 nan 8.310 nan 0.000 0.488 120 L N 1.303 122.531 121.223 0.009 0.000 2.473 120 L HA 0.206 4.546 4.340 -0.000 0.000 0.268 120 L C -1.149 175.723 176.870 0.004 0.000 1.215 120 L CA -1.722 53.118 54.840 0.001 0.000 0.823 120 L CB 0.110 42.163 42.059 -0.010 0.000 1.099 120 L HN 0.046 nan 8.230 nan 0.000 0.483 121 P HA -0.168 nan 4.420 nan 0.000 0.216 121 P C 0.336 177.633 177.300 -0.005 0.000 1.150 121 P CA 1.247 64.349 63.100 0.005 0.000 0.843 121 P CB 0.140 31.841 31.700 0.003 0.000 0.787 122 D N -1.083 119.307 120.400 -0.016 0.000 2.352 122 D HA 0.058 4.697 4.640 -0.000 0.000 0.236 122 D C -0.223 176.041 176.300 -0.060 0.000 1.148 122 D CA 0.337 54.319 54.000 -0.030 0.000 0.844 122 D CB 0.011 40.796 40.800 -0.025 0.000 0.933 122 D HN 0.037 nan 8.370 nan 0.000 0.507 123 V N 2.303 122.177 119.914 -0.067 0.000 2.275 123 V HA 0.271 4.391 4.120 -0.000 0.000 0.272 123 V C 0.208 176.201 176.094 -0.169 0.000 1.028 123 V CA -0.526 61.695 62.300 -0.132 0.000 0.810 123 V CB 1.141 32.902 31.823 -0.103 0.000 1.043 123 V HN -0.041 nan 8.190 nan 0.000 0.453 124 L N 4.326 125.406 121.223 -0.238 0.000 2.334 124 L HA 0.668 5.008 4.340 -0.000 0.000 0.270 124 L C -0.675 175.937 176.870 -0.430 0.000 1.018 124 L CA -0.789 53.925 54.840 -0.210 0.000 0.811 124 L CB 1.496 43.475 42.059 -0.134 0.000 1.271 124 L HN 0.387 nan 8.230 nan 0.000 0.443 125 Y N 0.992 121.232 120.300 -0.098 0.000 2.596 125 Y HA 0.603 5.153 4.550 -0.000 0.000 0.326 125 Y C -0.303 175.529 175.900 -0.115 0.000 1.167 125 Y CA -0.782 57.258 58.100 -0.100 0.000 1.246 125 Y CB 1.552 39.975 38.460 -0.062 0.000 1.347 125 Y HN 0.244 nan 8.280 nan 0.000 0.515 126 L N 1.683 122.935 121.223 0.049 0.000 2.492 126 L HA 0.484 4.824 4.340 -0.000 0.000 0.259 126 L C -0.490 176.400 176.870 0.034 0.000 1.229 126 L CA 0.137 54.973 54.840 -0.007 0.000 0.903 126 L CB 0.408 42.401 42.059 -0.109 0.000 1.114 126 L HN 0.766 nan 8.230 nan 0.000 0.494 127 R N -0.075 120.455 120.500 0.051 0.000 2.702 127 R HA 0.232 4.572 4.340 -0.000 0.000 0.223 127 R C 0.143 176.483 176.300 0.066 0.000 0.953 127 R CA 0.671 56.801 56.100 0.050 0.000 1.068 127 R CB 0.978 31.303 30.300 0.042 0.000 1.600 127 R HN 0.580 nan 8.270 nan 0.000 0.602 128 T N -1.571 113.023 114.554 0.066 0.000 2.952 128 T HA 0.236 4.586 4.350 -0.000 0.000 0.286 128 T C 0.944 175.639 174.700 -0.008 0.000 1.024 128 T CA -0.794 61.366 62.100 0.101 0.000 1.029 128 T CB 1.868 70.792 68.868 0.093 0.000 1.094 128 T HN -0.056 nan 8.240 nan 0.000 0.515 129 L N 1.011 122.130 121.223 -0.174 0.000 1.989 129 L HA -0.025 4.315 4.340 -0.000 0.000 0.211 129 L C 1.901 178.583 176.870 -0.314 0.000 1.071 129 L CA 2.115 56.615 54.840 -0.566 0.000 0.749 129 L CB -1.326 39.887 42.059 -1.410 0.000 0.890 129 L HN 0.774 nan 8.230 nan 0.000 0.431 130 D N -0.063 120.229 120.400 -0.181 0.000 2.126 130 D HA -0.235 4.405 4.640 -0.000 0.000 0.190 130 D C 2.129 178.432 176.300 0.005 0.000 1.001 130 D CA 1.887 55.875 54.000 -0.019 0.000 0.841 130 D CB -0.145 40.694 40.800 0.064 0.000 0.949 130 D HN 0.556 nan 8.370 nan 0.000 0.446 131 E N 0.045 120.251 120.200 0.011 0.000 2.110 131 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 131 E C 2.018 178.636 176.600 0.030 0.000 0.988 131 E CA 0.973 57.391 56.400 0.029 0.000 0.804 131 E CB -0.063 29.664 29.700 0.045 0.000 0.745 131 E HN 0.055 nan 8.360 nan 0.000 0.458 132 S N 0.572 116.289 115.700 0.029 0.000 2.368 132 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 132 S C 1.979 176.692 174.600 0.188 0.000 1.029 132 S CA 1.405 59.667 58.200 0.104 0.000 0.988 132 S CB -0.041 63.218 63.200 0.099 0.000 0.838 132 S HN 0.149 nan 8.310 nan 0.000 0.462 133 E N 1.092 121.399 120.200 0.178 0.000 2.110 133 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 133 E C 2.020 178.680 176.600 0.101 0.000 0.988 133 E CA 1.654 58.177 56.400 0.205 0.000 0.804 133 E CB -0.529 29.264 29.700 0.154 0.000 0.745 133 E HN 0.481 nan 8.360 nan 0.000 0.458 134 V N -0.720 119.235 119.914 0.068 0.000 2.358 134 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 134 V C 2.272 178.391 176.094 0.041 0.000 1.047 134 V CA 1.647 63.974 62.300 0.045 0.000 1.035 134 V CB -0.753 31.090 31.823 0.033 0.000 0.658 134 V HN 0.282 nan 8.190 nan 0.000 0.452 135 L N 0.783 122.032 121.223 0.043 0.000 2.083 135 L HA -0.036 4.304 4.340 -0.000 0.000 0.209 135 L C 2.773 179.694 176.870 0.085 0.000 1.083 135 L CA 2.374 57.242 54.840 0.046 0.000 0.752 135 L CB -1.117 40.947 42.059 0.009 0.000 0.899 135 L HN 0.403 nan 8.230 nan 0.000 0.433 136 R N -0.955 119.592 120.500 0.078 0.000 2.081 136 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 136 R C 2.166 178.477 176.300 0.018 0.000 1.131 136 R CA 1.893 58.014 56.100 0.036 0.000 0.960 136 R CB -0.121 30.158 30.300 -0.035 0.000 0.856 136 R HN 0.555 nan 8.270 nan 0.000 0.436 137 Q N -0.915 118.899 119.800 0.023 0.000 2.245 137 Q HA -0.099 4.241 4.340 -0.000 0.000 0.201 137 Q C 1.993 178.006 176.000 0.022 0.000 0.955 137 Q CA 0.802 56.614 55.803 0.015 0.000 0.870 137 Q CB 0.136 28.884 28.738 0.017 0.000 0.945 137 Q HN 0.100 nan 8.270 nan 0.000 0.461 138 R N 0.805 121.325 120.500 0.033 0.000 2.093 138 R HA 0.055 4.395 4.340 -0.000 0.000 0.224 138 R C 1.954 178.281 176.300 0.045 0.000 1.101 138 R CA 1.106 57.226 56.100 0.034 0.000 0.979 138 R CB -0.067 30.252 30.300 0.031 0.000 0.877 138 R HN 0.172 nan 8.270 nan 0.000 0.441 139 M N 1.135 120.774 119.600 0.065 0.000 2.106 139 M HA -0.109 4.371 4.480 -0.000 0.000 0.259 139 M C -0.731 175.592 176.300 0.039 0.000 1.068 139 M CA 2.076 57.419 55.300 0.071 0.000 1.100 139 M CB -0.963 31.690 32.600 0.088 0.000 1.351 139 M HN 0.104 nan 8.290 nan 0.000 0.404 140 P HA -0.122 nan 4.420 nan 0.000 0.222 140 P C -0.266 177.042 177.300 0.013 0.000 1.147 140 P CA 1.501 64.608 63.100 0.012 0.000 0.790 140 P CB -0.265 31.437 31.700 0.004 0.000 0.780 141 D N -1.190 119.221 120.400 0.018 0.000 2.368 141 D HA 0.086 4.726 4.640 -0.000 0.000 0.218 141 D C 0.416 176.729 176.300 0.023 0.000 1.112 141 D CA 0.364 54.374 54.000 0.017 0.000 0.834 141 D CB 0.148 40.957 40.800 0.015 0.000 0.953 141 D HN 0.007 nan 8.370 nan 0.000 0.505 142 K N 0.397 120.816 120.400 0.031 0.000 2.318 142 K HA 0.363 4.683 4.320 -0.000 0.000 0.249 142 K C 0.587 177.215 176.600 0.046 0.000 0.942 142 K CA -0.586 55.727 56.287 0.042 0.000 0.808 142 K CB 2.169 34.702 32.500 0.055 0.000 1.189 142 K HN -0.242 nan 8.250 nan 0.000 0.428 143 K N 0.239 120.675 120.400 0.059 0.000 2.365 143 K HA 0.055 4.375 4.320 -0.000 0.000 0.195 143 K C 0.072 176.734 176.600 0.102 0.000 1.079 143 K CA 0.382 56.701 56.287 0.055 0.000 0.979 143 K CB 0.412 32.937 32.500 0.042 0.000 0.929 143 K HN 0.460 nan 8.250 nan 0.000 0.523 144 H N 0.130 119.205 119.070 0.009 0.000 3.096 144 H HA 0.328 4.884 4.556 -0.000 0.000 0.335 144 H C -1.786 173.555 175.328 0.020 0.000 0.990 144 H CA -1.076 54.978 56.048 0.009 0.000 1.393 144 H CB 0.993 30.758 29.762 0.004 0.000 1.742 144 H HN -0.209 nan 8.280 nan 0.000 0.501 145 V N 6.197 126.259 119.914 0.247 0.000 2.513 145 V HA 0.578 4.698 4.120 -0.000 0.000 0.299 145 V C -0.999 175.118 176.094 0.039 0.000 1.035 145 V CA -0.536 61.824 62.300 0.100 0.000 0.889 145 V CB 1.785 33.730 31.823 0.203 0.000 0.988 145 V HN 0.529 nan 8.190 nan 0.000 0.440 146 V N 7.131 127.011 119.914 -0.056 0.000 2.370 146 V HA 0.419 4.539 4.120 -0.000 0.000 0.279 146 V C -0.138 175.946 176.094 -0.017 0.000 1.029 146 V CA -0.445 61.818 62.300 -0.062 0.000 0.870 146 V CB 1.779 33.519 31.823 -0.137 0.000 0.984 146 V HN 0.682 nan 8.190 nan 0.000 0.451 147 V N 7.070 126.998 119.914 0.024 0.000 2.350 147 V HA 0.421 4.541 4.120 -0.000 0.000 0.276 147 V C 0.056 176.135 176.094 -0.024 0.000 1.028 147 V CA -0.293 62.022 62.300 0.024 0.000 0.860 147 V CB 1.288 33.174 31.823 0.105 0.000 0.990 147 V HN 0.647 nan 8.190 nan 0.000 0.453 148 I N 4.791 125.324 120.570 -0.061 0.000 2.297 148 I HA 0.679 4.849 4.170 -0.000 0.000 0.291 148 I C 0.754 176.841 176.117 -0.050 0.000 1.033 148 I CA -0.046 61.218 61.300 -0.060 0.000 1.253 148 I CB 1.131 39.083 38.000 -0.079 0.000 1.396 148 I HN 0.836 nan 8.210 nan 0.000 0.476 149 G N 4.488 113.268 108.800 -0.032 0.000 3.152 149 G HA2 0.102 4.062 3.960 -0.000 0.000 0.666 149 G HA3 0.102 4.062 3.960 -0.000 0.000 0.666 149 G C -0.188 174.697 174.900 -0.026 0.000 1.205 149 G CA -0.396 44.687 45.100 -0.028 0.000 1.178 149 G HN 0.888 nan 8.290 nan 0.000 0.510 150 A N 1.570 124.379 122.820 -0.018 0.000 2.840 150 A HA 0.704 5.024 4.320 -0.000 0.000 0.269 150 A C 1.487 179.032 177.584 -0.065 0.000 1.439 150 A CA 1.112 53.141 52.037 -0.013 0.000 1.083 150 A CB -0.312 18.718 19.000 0.049 0.000 1.019 150 A HN 1.969 nan 8.150 nan 0.000 0.607 151 G N -1.377 107.365 108.800 -0.097 0.000 2.563 151 G HA2 0.416 4.376 3.960 -0.000 0.000 0.283 151 G HA3 0.416 4.376 3.960 -0.000 0.000 0.283 151 G C 0.541 175.354 174.900 -0.145 0.000 1.309 151 G CA -0.535 44.439 45.100 -0.209 0.000 1.022 151 G HN 0.144 nan 8.290 nan 0.000 0.501 152 F N -0.283 119.622 119.950 -0.076 0.000 2.065 152 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 152 F C 2.735 178.500 175.800 -0.058 0.000 1.112 152 F CA 1.253 59.195 58.000 -0.096 0.000 1.212 152 F CB -0.771 38.152 39.000 -0.127 0.000 0.975 152 F HN 0.211 nan 8.300 nan 0.000 0.476 153 I N -0.187 120.480 120.570 0.162 0.000 2.163 153 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 153 I C 2.791 178.974 176.117 0.110 0.000 1.085 153 I CA 1.628 62.991 61.300 0.106 0.000 1.347 153 I CB -1.349 36.689 38.000 0.064 0.000 1.044 153 I HN 0.235 nan 8.210 nan 0.000 0.408 154 G N 1.140 109.981 108.800 0.069 0.000 2.469 154 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 154 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 154 G C 1.707 176.665 174.900 0.096 0.000 1.150 154 G CA 0.690 45.840 45.100 0.082 0.000 0.763 154 G HN 0.291 nan 8.290 nan 0.000 0.561 155 L N -0.114 121.126 121.223 0.029 0.000 2.131 155 L HA 0.039 4.379 4.340 -0.000 0.000 0.206 155 L C 2.849 179.723 176.870 0.006 0.000 1.087 155 L CA 0.838 55.635 54.840 -0.071 0.000 0.767 155 L CB -0.413 41.627 42.059 -0.032 0.000 0.917 155 L HN 0.286 nan 8.230 nan 0.000 0.441 156 E N -0.062 120.195 120.200 0.095 0.000 2.110 156 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 156 E C 1.987 178.652 176.600 0.110 0.000 0.988 156 E CA 1.433 57.902 56.400 0.115 0.000 0.804 156 E CB -0.152 29.616 29.700 0.114 0.000 0.745 156 E HN 0.392 nan 8.360 nan 0.000 0.458 157 F N 1.661 121.617 119.950 0.010 0.000 2.098 157 F HA -0.058 4.469 4.527 -0.000 0.000 0.294 157 F C 2.281 178.072 175.800 -0.014 0.000 1.107 157 F CA 1.297 59.299 58.000 0.004 0.000 1.234 157 F CB -0.527 38.469 39.000 -0.006 0.000 1.002 157 F HN -0.070 nan 8.300 nan 0.000 0.472 158 A N 0.924 123.606 122.820 -0.231 0.000 1.927 158 A HA -0.205 4.114 4.320 -0.000 0.000 0.220 158 A C 2.447 179.843 177.584 -0.313 0.000 1.185 158 A CA 2.420 54.253 52.037 -0.340 0.000 0.639 158 A CB -1.718 17.153 19.000 -0.215 0.000 0.820 158 A HN 0.603 nan 8.150 nan 0.000 0.451 159 A N -1.474 121.243 122.820 -0.172 0.000 1.902 159 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 159 A C 2.327 179.850 177.584 -0.102 0.000 1.181 159 A CA 2.315 54.334 52.037 -0.029 0.000 0.623 159 A CB -1.231 17.861 19.000 0.153 0.000 0.818 159 A HN 0.445 nan 8.150 nan 0.000 0.443 160 T N 0.149 114.605 114.554 -0.164 0.000 2.777 160 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 160 T C 2.242 176.793 174.700 -0.249 0.000 1.040 160 T CA 1.490 63.492 62.100 -0.163 0.000 1.141 160 T CB -0.434 68.364 68.868 -0.116 0.000 0.868 160 T HN 0.587 nan 8.240 nan 0.000 0.444 161 A N 1.776 124.298 122.820 -0.498 0.000 1.908 161 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 161 A C 2.253 179.704 177.584 -0.222 0.000 1.181 161 A CA 1.941 53.716 52.037 -0.437 0.000 0.627 161 A CB -0.513 18.043 19.000 -0.741 0.000 0.818 161 A HN 0.298 nan 8.150 nan 0.000 0.445 162 R N 0.245 120.624 120.500 -0.202 0.000 2.081 162 R HA 0.009 4.349 4.340 -0.000 0.000 0.235 162 R C 2.111 178.364 176.300 -0.078 0.000 1.131 162 R CA 1.898 57.932 56.100 -0.110 0.000 0.960 162 R CB -1.004 29.247 30.300 -0.082 0.000 0.856 162 R HN 0.381 nan 8.270 nan 0.000 0.436 163 A N 0.539 123.314 122.820 -0.075 0.000 2.019 163 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 163 A C 1.696 179.252 177.584 -0.048 0.000 1.164 163 A CA 1.534 53.543 52.037 -0.048 0.000 0.644 163 A CB -0.349 18.629 19.000 -0.036 0.000 0.805 163 A HN 0.370 nan 8.150 nan 0.000 0.449 164 K N -1.410 118.952 120.400 -0.064 0.000 2.505 164 K HA 0.226 4.546 4.320 -0.000 0.000 0.192 164 K C 1.055 177.630 176.600 -0.041 0.000 1.025 164 K CA 0.446 56.704 56.287 -0.049 0.000 1.086 164 K CB -0.054 32.415 32.500 -0.052 0.000 0.840 164 K HN 0.636 nan 8.250 nan 0.000 0.514 165 G N 0.880 109.652 108.800 -0.045 0.000 2.175 165 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 165 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 165 G C -0.061 174.813 174.900 -0.043 0.000 0.982 165 G CA -0.376 44.700 45.100 -0.040 0.000 0.641 165 G HN 0.072 nan 8.290 nan 0.000 0.527 166 L N 0.930 122.127 121.223 -0.044 0.000 2.453 166 L HA 0.602 4.942 4.340 -0.000 0.000 0.261 166 L C 0.808 177.651 176.870 -0.046 0.000 1.179 166 L CA -0.187 54.637 54.840 -0.027 0.000 0.813 166 L CB 0.846 42.904 42.059 -0.001 0.000 1.110 166 L HN 0.322 nan 8.230 nan 0.000 0.466 167 E N 0.353 120.517 120.200 -0.060 0.000 2.313 167 E HA 0.464 4.814 4.350 -0.000 0.000 0.276 167 E C -1.456 175.178 176.600 0.058 0.000 1.031 167 E CA -0.267 56.037 56.400 -0.161 0.000 0.857 167 E CB 0.880 30.201 29.700 -0.631 0.000 1.040 167 E HN 0.311 nan 8.360 nan 0.000 0.408 168 V N 4.185 124.128 119.914 0.049 0.000 2.531 168 V HA 0.343 4.463 4.120 -0.000 0.000 0.301 168 V C -1.082 175.090 176.094 0.130 0.000 1.034 168 V CA -0.840 61.523 62.300 0.105 0.000 0.865 168 V CB 2.033 33.849 31.823 -0.011 0.000 0.995 168 V HN 0.738 nan 8.190 nan 0.000 0.424 169 D N 2.636 123.136 120.400 0.168 0.000 2.629 169 D HA 0.602 5.242 4.640 -0.000 0.000 0.250 169 D C -0.892 175.470 176.300 0.104 0.000 1.126 169 D CA -0.233 53.870 54.000 0.173 0.000 0.852 169 D CB 2.413 43.348 40.800 0.226 0.000 1.335 169 D HN 0.321 nan 8.370 nan 0.000 0.518 170 V N 3.038 122.999 119.914 0.078 0.000 2.370 170 V HA 0.357 4.477 4.120 -0.000 0.000 0.283 170 V C -0.226 175.879 176.094 0.019 0.000 1.023 170 V CA -0.721 61.584 62.300 0.007 0.000 0.857 170 V CB 1.668 33.446 31.823 -0.074 0.000 0.985 170 V HN 0.326 nan 8.190 nan 0.000 0.443 171 V N 4.603 124.515 119.914 -0.004 0.000 2.350 171 V HA 0.506 4.626 4.120 -0.000 0.000 0.276 171 V C -0.179 175.900 176.094 -0.025 0.000 1.028 171 V CA -0.368 61.922 62.300 -0.017 0.000 0.860 171 V CB 1.498 33.293 31.823 -0.047 0.000 0.990 171 V HN 0.958 nan 8.190 nan 0.000 0.453 172 E N 3.697 123.884 120.200 -0.022 0.000 2.248 172 E HA 0.415 4.765 4.350 -0.000 0.000 0.267 172 E C 0.039 176.691 176.600 0.087 0.000 0.877 172 E CA -0.684 55.740 56.400 0.040 0.000 0.759 172 E CB 1.916 31.678 29.700 0.103 0.000 1.182 172 E HN 0.348 nan 8.360 nan 0.000 0.418 173 L N 3.337 124.601 121.223 0.070 0.000 2.179 173 L HA 0.408 4.748 4.340 -0.000 0.000 0.208 173 L C 0.688 177.616 176.870 0.097 0.000 1.096 173 L CA 1.640 56.521 54.840 0.069 0.000 0.779 173 L CB -0.586 41.495 42.059 0.037 0.000 0.922 173 L HN 0.616 nan 8.230 nan 0.000 0.443 174 A N 0.214 123.099 122.820 0.108 0.000 2.346 174 A HA 0.383 4.703 4.320 -0.000 0.000 0.252 174 A C -1.535 176.137 177.584 0.146 0.000 1.089 174 A CA -0.409 51.687 52.037 0.097 0.000 0.797 174 A CB -0.586 18.455 19.000 0.068 0.000 1.047 174 A HN 0.303 nan 8.150 nan 0.000 0.494 175 P HA -0.005 nan 4.420 nan 0.000 0.237 175 P C -0.017 177.023 177.300 -0.434 0.000 1.178 175 P CA 0.866 63.915 63.100 -0.085 0.000 0.766 175 P CB 0.024 31.677 31.700 -0.078 0.000 0.876 176 R N -1.249 119.111 120.500 -0.234 0.000 2.734 176 R HA 0.495 4.835 4.340 -0.000 0.000 0.271 176 R C -0.634 175.737 176.300 0.117 0.000 1.021 176 R CA -0.992 54.938 56.100 -0.283 0.000 0.893 176 R CB 1.025 31.216 30.300 -0.181 0.000 1.244 176 R HN -0.212 nan 8.270 nan 0.000 0.464 177 V N -0.370 119.696 119.914 0.253 0.000 2.924 177 V HA 0.254 4.374 4.120 -0.000 0.000 0.305 177 V C 1.026 177.165 176.094 0.074 0.000 1.073 177 V CA -0.503 61.931 62.300 0.224 0.000 1.098 177 V CB 0.258 32.248 31.823 0.280 0.000 1.000 177 V HN 1.035 nan 8.190 nan 0.000 0.484 178 M N 0.585 120.163 119.600 -0.037 0.000 2.612 178 M HA -0.277 4.203 4.480 -0.000 0.000 0.194 178 M C 1.369 177.589 176.300 -0.134 0.000 0.530 178 M CA 0.990 56.173 55.300 -0.195 0.000 0.548 178 M CB -1.872 30.584 32.600 -0.239 0.000 2.013 178 M HN 1.154 nan 8.290 nan 0.000 0.711 179 A N 0.189 122.975 122.820 -0.056 0.000 2.032 179 A HA -0.180 4.140 4.320 -0.000 0.000 0.221 179 A C 1.931 179.490 177.584 -0.041 0.000 1.165 179 A CA 2.245 54.269 52.037 -0.022 0.000 0.645 179 A CB -0.403 18.601 19.000 0.007 0.000 0.807 179 A HN 0.632 nan 8.150 nan 0.000 0.453 180 R N -0.376 120.065 120.500 -0.098 0.000 2.236 180 R HA -0.003 4.337 4.340 -0.000 0.000 0.208 180 R C 1.282 177.497 176.300 -0.141 0.000 1.036 180 R CA 1.730 57.767 56.100 -0.106 0.000 1.001 180 R CB -0.192 30.031 30.300 -0.128 0.000 0.896 180 R HN 0.567 nan 8.270 nan 0.000 0.464 181 V N -3.585 116.209 119.914 -0.200 0.000 3.485 181 V HA 0.384 4.504 4.120 -0.000 0.000 0.280 181 V C 0.296 176.331 176.094 -0.098 0.000 1.495 181 V CA 0.053 62.229 62.300 -0.206 0.000 1.018 181 V CB 0.245 31.845 31.823 -0.371 0.000 0.818 181 V HN -0.035 nan 8.190 nan 0.000 0.436 182 V N -1.345 118.530 119.914 -0.066 0.000 3.102 182 V HA 0.886 5.006 4.120 -0.000 0.000 0.312 182 V C 0.091 176.149 176.094 -0.060 0.000 1.135 182 V CA 0.140 62.435 62.300 -0.009 0.000 1.022 182 V CB 1.375 33.249 31.823 0.086 0.000 1.056 182 V HN 0.477 nan 8.190 nan 0.000 0.436 183 T N -0.752 113.711 114.554 -0.151 0.000 2.849 183 T HA 0.482 4.832 4.350 -0.000 0.000 0.284 183 T C -1.734 172.904 174.700 -0.103 0.000 1.004 183 T CA -1.240 60.649 62.100 -0.351 0.000 1.021 183 T CB 0.962 69.406 68.868 -0.707 0.000 1.013 183 T HN 0.598 nan 8.240 nan 0.000 0.527 184 P HA -0.163 nan 4.420 nan 0.000 0.218 184 P C 1.162 178.497 177.300 0.058 0.000 1.154 184 P CA 1.266 64.381 63.100 0.024 0.000 0.872 184 P CB -0.014 31.715 31.700 0.049 0.000 0.790 185 E N -1.162 119.072 120.200 0.056 0.000 2.153 185 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 185 E C 1.906 178.640 176.600 0.223 0.000 0.988 185 E CA 0.890 57.350 56.400 0.100 0.000 0.811 185 E CB -0.808 28.944 29.700 0.087 0.000 0.746 185 E HN 0.241 nan 8.360 nan 0.000 0.466 186 I N 0.418 121.144 120.570 0.260 0.000 2.333 186 I HA -0.123 4.047 4.170 -0.000 0.000 0.246 186 I C 1.951 178.360 176.117 0.487 0.000 1.106 186 I CA 0.972 62.523 61.300 0.417 0.000 1.411 186 I CB -1.153 37.067 38.000 0.366 0.000 1.082 186 I HN 0.004 nan 8.210 nan 0.000 0.420 187 S N 0.676 116.565 115.700 0.316 0.000 2.359 187 S HA -0.210 4.260 4.470 -0.000 0.000 0.224 187 S C 2.249 177.033 174.600 0.307 0.000 1.035 187 S CA 1.885 60.264 58.200 0.299 0.000 1.018 187 S CB -0.430 62.859 63.200 0.149 0.000 0.876 187 S HN 0.471 nan 8.310 nan 0.000 0.448 188 S N 0.355 116.175 115.700 0.202 0.000 2.359 188 S HA -0.224 4.246 4.470 -0.000 0.000 0.223 188 S C 1.732 176.453 174.600 0.202 0.000 1.039 188 S CA 1.707 59.995 58.200 0.147 0.000 1.042 188 S CB -0.686 62.556 63.200 0.070 0.000 0.915 188 S HN 0.594 nan 8.310 nan 0.000 0.439 189 Y N 0.880 121.240 120.300 0.100 0.000 2.081 189 Y HA -0.167 4.383 4.550 -0.000 0.000 0.280 189 Y C 1.827 177.681 175.900 -0.077 0.000 1.163 189 Y CA 2.139 60.235 58.100 -0.007 0.000 1.135 189 Y CB -0.854 37.607 38.460 0.002 0.000 0.970 189 Y HN 0.387 nan 8.280 nan 0.000 0.498 190 F N -0.899 119.116 119.950 0.108 0.000 2.293 190 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 190 F C 2.796 178.604 175.800 0.012 0.000 1.086 190 F CA 1.496 59.471 58.000 -0.042 0.000 1.375 190 F CB -0.525 38.587 39.000 0.185 0.000 1.045 190 F HN 0.296 nan 8.300 nan 0.000 0.516 191 H N 0.500 119.695 119.070 0.209 0.000 2.357 191 H HA -0.132 4.424 4.556 -0.000 0.000 0.301 191 H C 1.394 176.767 175.328 0.074 0.000 1.082 191 H CA 1.940 58.114 56.048 0.209 0.000 1.342 191 H CB -0.193 29.693 29.762 0.206 0.000 1.389 191 H HN 0.147 nan 8.280 nan 0.000 0.511 192 D N 0.656 121.106 120.400 0.083 0.000 2.084 192 D HA -0.115 4.524 4.640 -0.000 0.000 0.194 192 D C 2.540 178.724 176.300 -0.193 0.000 0.990 192 D CA 0.628 54.606 54.000 -0.037 0.000 0.826 192 D CB -0.041 40.721 40.800 -0.063 0.000 0.971 192 D HN 0.251 nan 8.370 nan 0.000 0.453 193 R N 0.360 120.638 120.500 -0.370 0.000 2.096 193 R HA -0.127 4.213 4.340 -0.000 0.000 0.240 193 R C 2.183 178.343 176.300 -0.234 0.000 1.139 193 R CA 1.087 56.952 56.100 -0.392 0.000 0.952 193 R CB -1.174 28.746 30.300 -0.634 0.000 0.854 193 R HN 0.475 nan 8.270 nan 0.000 0.436 194 H N 0.265 119.285 119.070 -0.083 0.000 2.357 194 H HA 0.054 4.610 4.556 -0.000 0.000 0.301 194 H C 2.275 177.527 175.328 -0.127 0.000 1.082 194 H CA 1.394 57.401 56.048 -0.068 0.000 1.342 194 H CB -0.170 29.574 29.762 -0.030 0.000 1.389 194 H HN 0.112 nan 8.280 nan 0.000 0.511 195 S N -0.015 115.628 115.700 -0.094 0.000 2.370 195 S HA -0.132 4.338 4.470 -0.000 0.000 0.226 195 S C 2.432 176.985 174.600 -0.079 0.000 1.033 195 S CA 1.023 59.133 58.200 -0.149 0.000 1.011 195 S CB -0.631 62.415 63.200 -0.257 0.000 0.852 195 S HN 0.645 nan 8.310 nan 0.000 0.457 196 G N 0.948 109.702 108.800 -0.077 0.000 2.462 196 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.220 196 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.220 196 G C 1.260 176.137 174.900 -0.039 0.000 1.121 196 G CA 0.844 45.910 45.100 -0.057 0.000 0.758 196 G HN 0.596 nan 8.290 nan 0.000 0.559 197 A N -0.531 122.274 122.820 -0.026 0.000 2.238 197 A HA 0.479 4.799 4.320 -0.000 0.000 0.208 197 A C 1.950 179.523 177.584 -0.018 0.000 1.177 197 A CA 1.249 53.281 52.037 -0.009 0.000 0.804 197 A CB -0.344 18.672 19.000 0.027 0.000 0.823 197 A HN 1.567 nan 8.150 nan 0.000 0.482 198 G N -1.015 107.768 108.800 -0.029 0.000 2.144 198 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 198 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 198 G C 0.048 174.922 174.900 -0.042 0.000 0.988 198 G CA 0.071 45.149 45.100 -0.037 0.000 0.659 198 G HN 0.421 nan 8.290 nan 0.000 0.522 199 I N 2.079 122.625 120.570 -0.041 0.000 2.371 199 I HA 0.320 4.490 4.170 -0.000 0.000 0.290 199 I C 0.637 176.702 176.117 -0.088 0.000 1.028 199 I CA -0.742 60.527 61.300 -0.052 0.000 1.345 199 I CB 0.705 38.672 38.000 -0.055 0.000 1.407 199 I HN -0.027 nan 8.210 nan 0.000 0.501 200 R N 6.493 126.946 120.500 -0.080 0.000 2.202 200 R HA 0.415 4.755 4.340 -0.000 0.000 0.334 200 R C -0.690 175.418 176.300 -0.320 0.000 1.036 200 R CA -0.799 55.198 56.100 -0.172 0.000 0.878 200 R CB 0.755 31.006 30.300 -0.082 0.000 1.067 200 R HN 0.444 nan 8.270 nan 0.000 0.457 201 M N 3.247 122.610 119.600 -0.394 0.000 2.233 201 M HA 0.204 4.684 4.480 -0.000 0.000 0.355 201 M C -0.303 175.552 176.300 -0.740 0.000 1.191 201 M CA 0.009 55.025 55.300 -0.473 0.000 1.101 201 M CB 0.714 33.122 32.600 -0.321 0.000 1.592 201 M HN 0.356 nan 8.290 nan 0.000 0.461 202 H N 4.334 123.144 119.070 -0.434 0.000 2.727 202 H HA 0.333 4.889 4.556 -0.000 0.000 0.330 202 H C -1.439 173.648 175.328 -0.402 0.000 0.986 202 H CA -0.361 55.510 56.048 -0.297 0.000 1.251 202 H CB 0.692 30.370 29.762 -0.140 0.000 1.493 202 H HN 0.625 nan 8.280 nan 0.000 0.515 203 Y N -0.494 119.886 120.300 0.133 0.000 2.534 203 Y HA 0.387 4.937 4.550 -0.000 0.000 0.329 203 Y C 1.468 177.410 175.900 0.069 0.000 1.154 203 Y CA -0.261 57.891 58.100 0.087 0.000 1.192 203 Y CB 1.578 40.075 38.460 0.062 0.000 1.275 203 Y HN 0.888 nan 8.280 nan 0.000 0.491 204 G N 0.160 109.099 108.800 0.231 0.000 2.179 204 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.257 204 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.257 204 G C -0.614 174.336 174.900 0.084 0.000 1.010 204 G CA 0.365 45.543 45.100 0.130 0.000 0.736 204 G HN 0.968 nan 8.290 nan 0.000 0.513 205 V N -4.133 115.825 119.914 0.073 0.000 2.962 205 V HA 0.946 5.066 4.120 -0.000 0.000 0.313 205 V C -0.091 176.012 176.094 0.015 0.000 1.099 205 V CA -1.813 60.508 62.300 0.034 0.000 0.971 205 V CB 1.814 33.648 31.823 0.019 0.000 1.028 205 V HN 0.378 nan 8.190 nan 0.000 0.430 206 R N 1.355 121.855 120.500 0.000 0.000 2.854 206 R HA 0.867 5.207 4.340 -0.000 0.000 0.271 206 R C -0.410 175.875 176.300 -0.025 0.000 0.996 206 R CA -0.435 55.660 56.100 -0.009 0.000 0.961 206 R CB 2.233 32.531 30.300 -0.004 0.000 1.182 206 R HN 1.095 nan 8.270 nan 0.000 0.479 207 A N 0.441 123.242 122.820 -0.031 0.000 2.366 207 A HA 0.270 4.590 4.320 -0.000 0.000 0.272 207 A C 0.814 178.380 177.584 -0.030 0.000 1.135 207 A CA -0.272 51.740 52.037 -0.042 0.000 0.804 207 A CB 0.288 19.259 19.000 -0.049 0.000 1.064 207 A HN 0.897 nan 8.150 nan 0.000 0.499 208 T N -1.052 113.484 114.554 -0.031 0.000 2.985 208 T HA 0.375 4.725 4.350 -0.000 0.000 0.254 208 T C 0.169 174.855 174.700 -0.023 0.000 1.021 208 T CA 0.500 62.586 62.100 -0.023 0.000 0.957 208 T CB -0.122 68.734 68.868 -0.020 0.000 1.047 208 T HN 0.843 nan 8.240 nan 0.000 0.511 209 E N 0.214 120.395 120.200 -0.031 0.000 2.401 209 E HA 0.360 4.710 4.350 -0.000 0.000 0.283 209 E C -1.992 174.584 176.600 -0.040 0.000 1.053 209 E CA -0.880 55.502 56.400 -0.030 0.000 0.842 209 E CB 1.298 30.982 29.700 -0.026 0.000 1.222 209 E HN 0.018 nan 8.360 nan 0.000 0.429 210 I N 2.774 123.322 120.570 -0.037 0.000 2.330 210 I HA 0.366 4.536 4.170 -0.000 0.000 0.286 210 I C 0.428 176.521 176.117 -0.039 0.000 1.025 210 I CA -0.382 60.890 61.300 -0.046 0.000 1.197 210 I CB 0.297 38.270 38.000 -0.045 0.000 1.358 210 I HN 0.629 nan 8.210 nan 0.000 0.467 211 A N 5.820 128.613 122.820 -0.044 0.000 2.492 211 A HA 0.661 4.981 4.320 -0.000 0.000 0.254 211 A C 0.340 177.904 177.584 -0.033 0.000 1.091 211 A CA -0.032 51.984 52.037 -0.036 0.000 0.768 211 A CB 0.136 19.113 19.000 -0.039 0.000 1.028 211 A HN 0.870 nan 8.150 nan 0.000 0.498 212 A N 2.118 124.923 122.820 -0.024 0.000 2.527 212 A HA 0.792 5.112 4.320 -0.000 0.000 0.293 212 A C -0.574 177.001 177.584 -0.015 0.000 1.117 212 A CA -0.543 51.482 52.037 -0.020 0.000 0.723 212 A CB 1.366 20.355 19.000 -0.018 0.000 1.313 212 A HN 0.794 nan 8.150 nan 0.000 0.411 213 E N 0.552 120.745 120.200 -0.012 0.000 2.255 213 E HA 0.483 4.833 4.350 -0.000 0.000 0.256 213 E C 0.661 177.257 176.600 -0.007 0.000 0.887 213 E CA 0.459 56.853 56.400 -0.009 0.000 0.782 213 E CB 1.113 30.808 29.700 -0.007 0.000 1.214 213 E HN 1.867 nan 8.360 nan 0.000 0.417 214 G N 5.767 114.564 108.800 -0.006 0.000 2.687 214 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.303 214 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.303 214 G C 0.309 175.205 174.900 -0.005 0.000 1.209 214 G CA 0.485 45.582 45.100 -0.005 0.000 0.968 214 G HN 0.605 nan 8.290 nan 0.000 0.549 215 D N 1.257 121.654 120.400 -0.005 0.000 2.636 215 D HA 0.227 4.867 4.640 -0.000 0.000 0.270 215 D C 0.486 176.781 176.300 -0.007 0.000 1.430 215 D CA -0.101 53.896 54.000 -0.006 0.000 0.796 215 D CB 0.483 41.281 40.800 -0.003 0.000 1.117 215 D HN 0.382 nan 8.370 nan 0.000 0.480 216 R N 0.834 121.329 120.500 -0.008 0.000 2.255 216 R HA 0.411 4.751 4.340 -0.000 0.000 0.326 216 R C -0.053 176.237 176.300 -0.015 0.000 0.986 216 R CA -0.607 55.487 56.100 -0.009 0.000 0.847 216 R CB 2.381 32.677 30.300 -0.006 0.000 1.111 216 R HN -0.186 nan 8.270 nan 0.000 0.452 217 V N 2.843 122.744 119.914 -0.021 0.000 2.694 217 V HA -0.059 4.061 4.120 -0.000 0.000 0.306 217 V C 1.397 177.473 176.094 -0.031 0.000 1.054 217 V CA 1.059 63.340 62.300 -0.032 0.000 1.161 217 V CB 1.150 32.947 31.823 -0.042 0.000 0.916 217 V HN 1.019 nan 8.190 nan 0.000 0.490 218 T N -0.105 114.427 114.554 -0.037 0.000 3.016 218 T HA 0.551 4.901 4.350 -0.000 0.000 0.271 218 T C 0.407 175.075 174.700 -0.054 0.000 0.968 218 T CA 0.346 62.426 62.100 -0.035 0.000 0.891 218 T CB 0.630 69.484 68.868 -0.022 0.000 1.149 218 T HN 1.335 nan 8.240 nan 0.000 0.524 219 G N 0.286 109.042 108.800 -0.073 0.000 2.316 219 G HA2 0.456 4.416 3.960 -0.000 0.000 0.296 219 G HA3 0.456 4.416 3.960 -0.000 0.000 0.296 219 G C -2.228 172.614 174.900 -0.097 0.000 1.399 219 G CA -0.513 44.529 45.100 -0.098 0.000 0.833 219 G HN 0.320 nan 8.290 nan 0.000 0.565 220 V N 0.550 120.395 119.914 -0.115 0.000 2.409 220 V HA 0.536 4.656 4.120 -0.000 0.000 0.291 220 V C 0.302 176.337 176.094 -0.097 0.000 1.020 220 V CA -0.718 61.519 62.300 -0.105 0.000 0.848 220 V CB 1.375 33.125 31.823 -0.121 0.000 0.990 220 V HN 0.723 nan 8.190 nan 0.000 0.430 221 V N 6.700 126.570 119.914 -0.074 0.000 2.530 221 V HA 0.405 4.525 4.120 -0.000 0.000 0.282 221 V C 0.191 176.247 176.094 -0.063 0.000 1.048 221 V CA -0.237 62.026 62.300 -0.063 0.000 0.997 221 V CB 1.171 32.967 31.823 -0.045 0.000 0.987 221 V HN 0.610 nan 8.190 nan 0.000 0.477 222 L N 3.225 124.409 121.223 -0.064 0.000 2.331 222 L HA 0.405 4.745 4.340 -0.000 0.000 0.268 222 L C 1.478 178.329 176.870 -0.033 0.000 1.015 222 L CA -0.481 54.326 54.840 -0.056 0.000 0.807 222 L CB 1.783 43.798 42.059 -0.074 0.000 1.293 222 L HN 0.755 nan 8.230 nan 0.000 0.451 223 S N -1.534 114.153 115.700 -0.022 0.000 2.547 223 S HA -0.124 4.346 4.470 -0.000 0.000 0.235 223 S C 0.777 175.374 174.600 -0.005 0.000 0.980 223 S CA 0.801 58.995 58.200 -0.010 0.000 0.941 223 S CB -0.569 62.629 63.200 -0.003 0.000 0.763 223 S HN 0.805 nan 8.310 nan 0.000 0.532 224 D N -0.226 120.169 120.400 -0.007 0.000 2.340 224 D HA 0.300 4.940 4.640 -0.000 0.000 0.217 224 D C 1.397 177.693 176.300 -0.006 0.000 1.081 224 D CA 0.438 54.438 54.000 -0.000 0.000 0.842 224 D CB -0.433 40.372 40.800 0.008 0.000 0.934 224 D HN 0.452 nan 8.370 nan 0.000 0.511 225 G N 0.359 109.151 108.800 -0.013 0.000 2.268 225 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.240 225 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.240 225 G C 0.291 175.179 174.900 -0.021 0.000 1.010 225 G CA 0.128 45.219 45.100 -0.014 0.000 0.618 225 G HN 0.671 nan 8.290 nan 0.000 0.516 226 N N 0.691 119.375 118.700 -0.026 0.000 2.467 226 N HA 0.564 5.304 4.740 -0.000 0.000 0.262 226 N C -0.254 175.223 175.510 -0.054 0.000 1.234 226 N CA 0.957 53.986 53.050 -0.034 0.000 0.952 226 N CB 0.788 39.256 38.487 -0.033 0.000 1.158 226 N HN 0.132 nan 8.380 nan 0.000 0.463 227 T N 2.118 116.639 114.554 -0.056 0.000 2.824 227 T HA 0.401 4.751 4.350 -0.000 0.000 0.282 227 T C -0.552 174.097 174.700 -0.085 0.000 0.993 227 T CA -0.557 61.501 62.100 -0.070 0.000 0.967 227 T CB 0.497 69.335 68.868 -0.050 0.000 0.960 227 T HN 0.282 nan 8.240 nan 0.000 0.441 228 L N 5.930 127.078 121.223 -0.124 0.000 2.265 228 L HA 0.394 4.734 4.340 -0.000 0.000 0.289 228 L C -1.937 174.851 176.870 -0.137 0.000 1.033 228 L CA -2.200 52.557 54.840 -0.139 0.000 0.814 228 L CB 1.226 43.151 42.059 -0.224 0.000 1.203 228 L HN 0.331 nan 8.230 nan 0.000 0.423 229 P HA 0.155 nan 4.420 nan 0.000 0.271 229 P C -0.808 176.339 177.300 -0.256 0.000 1.218 229 P CA -0.237 62.813 63.100 -0.083 0.000 0.780 229 P CB 1.245 32.959 31.700 0.022 0.000 0.901 230 C N 0.430 119.607 119.300 -0.206 0.000 3.224 230 C HA 0.393 4.853 4.460 -0.000 0.000 0.348 230 C C 0.128 175.060 174.990 -0.098 0.000 1.242 230 C CA -0.607 58.238 59.018 -0.289 0.000 1.180 230 C CB 1.131 28.620 27.740 -0.418 0.000 1.458 230 C HN 0.598 nan 8.230 nan 0.000 0.485 231 D N 0.302 120.681 120.400 -0.035 0.000 2.433 231 D HA 0.454 5.094 4.640 -0.000 0.000 0.211 231 D C -0.150 176.142 176.300 -0.013 0.000 1.114 231 D CA 0.124 54.118 54.000 -0.009 0.000 0.837 231 D CB 0.505 41.318 40.800 0.023 0.000 0.984 231 D HN 0.688 nan 8.370 nan 0.000 0.505 232 L N 0.378 121.584 121.223 -0.027 0.000 2.513 232 L HA 0.565 4.905 4.340 -0.000 0.000 0.261 232 L C -1.882 174.955 176.870 -0.054 0.000 0.945 232 L CA -0.855 53.971 54.840 -0.023 0.000 0.848 232 L CB 2.415 44.490 42.059 0.026 0.000 1.334 232 L HN -0.151 nan 8.230 nan 0.000 0.407 233 V N 4.783 124.645 119.914 -0.086 0.000 2.588 233 V HA 0.675 4.795 4.120 -0.000 0.000 0.304 233 V C -0.827 175.151 176.094 -0.195 0.000 1.042 233 V CA -0.714 61.511 62.300 -0.125 0.000 0.877 233 V CB 2.052 33.791 31.823 -0.139 0.000 0.996 233 V HN 0.496 nan 8.190 nan 0.000 0.425 234 V N 5.263 125.047 119.914 -0.216 0.000 2.444 234 V HA 0.544 4.664 4.120 -0.000 0.000 0.294 234 V C -0.267 175.643 176.094 -0.308 0.000 1.022 234 V CA -0.632 61.459 62.300 -0.347 0.000 0.850 234 V CB 1.929 33.434 31.823 -0.531 0.000 0.992 234 V HN 0.731 nan 8.190 nan 0.000 0.426 235 V N 3.304 122.965 119.914 -0.422 0.000 2.513 235 V HA 0.999 5.119 4.120 -0.000 0.000 0.299 235 V C 0.348 176.322 176.094 -0.199 0.000 1.035 235 V CA 0.185 62.292 62.300 -0.321 0.000 0.889 235 V CB 1.661 33.255 31.823 -0.381 0.000 0.988 235 V HN 0.971 nan 8.190 nan 0.000 0.440 236 G N 4.178 112.926 108.800 -0.087 0.000 4.370 236 G HA2 0.448 4.408 3.960 -0.000 0.000 0.295 236 G HA3 0.448 4.408 3.960 -0.000 0.000 0.295 236 G C -0.196 174.699 174.900 -0.008 0.000 1.312 236 G CA 0.361 45.450 45.100 -0.019 0.000 0.845 236 G HN 1.714 nan 8.290 nan 0.000 0.531 237 V N -0.728 119.196 119.914 0.016 0.000 3.023 237 V HA 0.719 4.839 4.120 -0.000 0.000 0.384 237 V C 0.829 176.931 176.094 0.013 0.000 1.289 237 V CA -0.207 62.098 62.300 0.008 0.000 1.383 237 V CB -0.841 30.989 31.823 0.012 0.000 1.388 237 V HN 1.466 nan 8.190 nan 0.000 0.551 238 G N 0.023 108.828 108.800 0.009 0.000 2.612 238 G HA2 0.229 4.189 3.960 -0.000 0.000 0.686 238 G HA3 0.229 4.189 3.960 -0.000 0.000 0.686 238 G C -0.687 174.219 174.900 0.011 0.000 1.274 238 G CA -0.125 44.976 45.100 0.001 0.000 0.849 238 G HN 1.714 nan 8.290 nan 0.000 0.595 239 V N -1.971 117.942 119.914 -0.002 0.000 3.181 239 V HA 0.935 5.055 4.120 -0.000 0.000 0.314 239 V C 0.358 176.444 176.094 -0.013 0.000 1.173 239 V CA -1.373 60.923 62.300 -0.006 0.000 1.052 239 V CB 2.052 33.872 31.823 -0.006 0.000 1.123 239 V HN 1.177 nan 8.190 nan 0.000 0.454 240 I N 1.052 121.611 120.570 -0.018 0.000 2.497 240 I HA 0.456 4.626 4.170 -0.000 0.000 0.284 240 I C -2.784 173.323 176.117 -0.017 0.000 1.060 240 I CA -1.919 59.370 61.300 -0.019 0.000 1.071 240 I CB 2.440 40.425 38.000 -0.025 0.000 1.216 240 I HN 0.465 nan 8.210 nan 0.000 0.442 241 P HA 0.008 nan 4.420 nan 0.000 0.265 241 P C -0.826 176.466 177.300 -0.012 0.000 1.193 241 P CA -0.102 62.993 63.100 -0.009 0.000 0.765 241 P CB 0.333 32.030 31.700 -0.004 0.000 0.823 242 N N 2.781 121.473 118.700 -0.013 0.000 2.549 242 N HA 0.036 4.776 4.740 -0.000 0.000 0.267 242 N C 0.922 176.424 175.510 -0.013 0.000 1.182 242 N CA 0.095 53.136 53.050 -0.015 0.000 1.019 242 N CB 0.358 38.836 38.487 -0.015 0.000 1.380 242 N HN 0.243 nan 8.380 nan 0.000 0.505 243 V N -0.847 119.060 119.914 -0.013 0.000 3.635 243 V HA 0.138 4.258 4.120 -0.000 0.000 0.266 243 V C 1.509 177.596 176.094 -0.012 0.000 1.316 243 V CA 0.197 62.490 62.300 -0.011 0.000 1.060 243 V CB 0.042 31.860 31.823 -0.009 0.000 0.820 243 V HN 0.043 nan 8.190 nan 0.000 0.447 244 E N 2.067 122.260 120.200 -0.012 0.000 2.082 244 E HA -0.255 4.095 4.350 -0.000 0.000 0.215 244 E C 1.899 178.493 176.600 -0.009 0.000 1.048 244 E CA 2.904 59.297 56.400 -0.011 0.000 0.869 244 E CB -0.727 28.966 29.700 -0.012 0.000 0.773 244 E HN 0.677 nan 8.360 nan 0.000 0.466 245 I N 0.359 120.923 120.570 -0.010 0.000 2.194 245 I HA -0.350 3.820 4.170 -0.000 0.000 0.246 245 I C 2.307 178.419 176.117 -0.008 0.000 1.093 245 I CA 1.344 62.639 61.300 -0.008 0.000 1.355 245 I CB -0.433 37.562 38.000 -0.009 0.000 1.046 245 I HN 0.135 nan 8.210 nan 0.000 0.413 246 A N 0.589 123.401 122.820 -0.012 0.000 1.933 246 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 246 A C 2.523 180.102 177.584 -0.008 0.000 1.175 246 A CA 1.797 53.826 52.037 -0.013 0.000 0.628 246 A CB -0.745 18.245 19.000 -0.018 0.000 0.814 246 A HN 0.450 nan 8.150 nan 0.000 0.444 247 A N -0.283 122.533 122.820 -0.007 0.000 1.969 247 A HA 0.255 4.575 4.320 -0.000 0.000 0.218 247 A C 2.413 179.995 177.584 -0.004 0.000 1.169 247 A CA 1.682 53.716 52.037 -0.006 0.000 0.635 247 A CB -0.822 18.174 19.000 -0.007 0.000 0.810 247 A HN 1.015 nan 8.150 nan 0.000 0.445 248 A N -0.329 122.489 122.820 -0.003 0.000 2.019 248 A HA 0.255 4.575 4.320 -0.000 0.000 0.219 248 A C 2.101 179.686 177.584 0.003 0.000 1.164 248 A CA 1.590 53.626 52.037 -0.001 0.000 0.644 248 A CB -0.591 18.409 19.000 -0.000 0.000 0.805 248 A HN 1.048 nan 8.150 nan 0.000 0.449 249 A N -1.810 121.012 122.820 0.004 0.000 2.337 249 A HA 0.443 4.763 4.320 -0.000 0.000 0.227 249 A C 1.679 179.266 177.584 0.006 0.000 1.259 249 A CA 1.027 53.069 52.037 0.009 0.000 0.870 249 A CB -0.958 18.051 19.000 0.014 0.000 0.927 249 A HN 1.789 nan 8.150 nan 0.000 0.497 250 G N -1.020 107.781 108.800 0.002 0.000 2.179 250 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 250 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 250 G C 0.159 175.057 174.900 -0.003 0.000 0.977 250 G CA 0.261 45.361 45.100 -0.000 0.000 0.641 250 G HN 0.452 nan 8.290 nan 0.000 0.533 251 L N 1.563 122.784 121.223 -0.004 0.000 2.410 251 L HA 0.320 4.660 4.340 -0.000 0.000 0.273 251 L C -1.657 175.210 176.870 -0.005 0.000 1.152 251 L CA -1.799 53.037 54.840 -0.007 0.000 0.855 251 L CB 0.547 42.600 42.059 -0.010 0.000 1.129 251 L HN -0.081 nan 8.230 nan 0.000 0.463 252 P HA 0.064 nan 4.420 nan 0.000 0.265 252 P C -0.580 176.718 177.300 -0.003 0.000 1.193 252 P CA 0.093 63.191 63.100 -0.003 0.000 0.765 252 P CB 0.737 32.436 31.700 -0.002 0.000 0.823 253 T N -0.240 114.312 114.554 -0.004 0.000 2.843 253 T HA 0.860 5.210 4.350 -0.000 0.000 0.302 253 T C -0.609 174.087 174.700 -0.007 0.000 1.232 253 T CA -0.414 61.683 62.100 -0.005 0.000 1.009 253 T CB 2.140 71.004 68.868 -0.006 0.000 1.254 253 T HN 0.390 nan 8.240 nan 0.000 0.504 254 A N 0.714 123.529 122.820 -0.008 0.000 3.865 254 A HA 0.907 5.227 4.320 -0.000 0.000 0.150 254 A C 0.305 177.883 177.584 -0.011 0.000 0.996 254 A CA -0.159 51.872 52.037 -0.011 0.000 1.746 254 A CB -0.339 18.653 19.000 -0.013 0.000 2.443 254 A HN 1.835 nan 8.150 nan 0.000 1.021 255 A N 0.196 123.007 122.820 -0.014 0.000 3.077 255 A HA 0.564 4.884 4.320 -0.000 0.000 0.255 255 A C 0.812 178.391 177.584 -0.009 0.000 1.728 255 A CA 1.000 53.029 52.037 -0.014 0.000 1.383 255 A CB -1.677 17.312 19.000 -0.018 0.000 1.097 255 A HN 2.532 nan 8.150 nan 0.000 0.634 256 G N -0.395 108.402 108.800 -0.004 0.000 2.340 256 G HA2 0.153 4.113 3.960 -0.000 0.000 0.527 256 G HA3 0.153 4.113 3.960 -0.000 0.000 0.527 256 G C -0.764 174.138 174.900 0.004 0.000 1.381 256 G CA -0.975 44.127 45.100 0.004 0.000 1.001 256 G HN 0.492 nan 8.290 nan 0.000 0.626 257 I N 1.126 121.701 120.570 0.009 0.000 2.379 257 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 257 I C 0.884 177.011 176.117 0.018 0.000 1.063 257 I CA -0.382 60.922 61.300 0.006 0.000 1.351 257 I CB 0.783 38.782 38.000 -0.001 0.000 1.410 257 I HN 0.288 nan 8.210 nan 0.000 0.505 258 I N 7.530 128.108 120.570 0.013 0.000 2.618 258 I HA 0.116 4.286 4.170 -0.000 0.000 0.284 258 I C 0.160 176.296 176.117 0.032 0.000 1.146 258 I CA 0.127 61.439 61.300 0.021 0.000 1.425 258 I CB 0.528 38.534 38.000 0.010 0.000 1.383 258 I HN 0.398 nan 8.210 nan 0.000 0.562 259 V N 2.233 122.181 119.914 0.057 0.000 3.114 259 V HA 0.576 4.696 4.120 -0.000 0.000 0.308 259 V C -0.768 175.382 176.094 0.093 0.000 1.168 259 V CA -1.044 61.296 62.300 0.067 0.000 1.015 259 V CB 1.856 33.721 31.823 0.069 0.000 1.050 259 V HN 0.730 nan 8.190 nan 0.000 0.433 260 D N 1.194 121.644 120.400 0.084 0.000 2.469 260 D HA 0.218 4.858 4.640 -0.000 0.000 0.278 260 D C 1.036 177.419 176.300 0.139 0.000 1.231 260 D CA -0.045 54.011 54.000 0.095 0.000 1.075 260 D CB 0.287 41.127 40.800 0.068 0.000 1.121 260 D HN 0.632 nan 8.370 nan 0.000 0.571 261 Q N -1.277 118.603 119.800 0.133 0.000 2.248 261 Q HA -0.195 4.145 4.340 -0.000 0.000 0.208 261 Q C 1.491 177.582 176.000 0.153 0.000 0.984 261 Q CA 1.395 57.297 55.803 0.165 0.000 0.875 261 Q CB -0.204 28.605 28.738 0.118 0.000 0.910 261 Q HN 0.508 nan 8.270 nan 0.000 0.433 262 Q N -0.178 119.683 119.800 0.103 0.000 2.246 262 Q HA 0.184 4.524 4.340 -0.000 0.000 0.202 262 Q C -0.207 175.819 176.000 0.044 0.000 0.883 262 Q CA -0.133 55.714 55.803 0.074 0.000 0.952 262 Q CB 0.480 29.251 28.738 0.056 0.000 1.078 262 Q HN 0.298 nan 8.270 nan 0.000 0.493 263 L N 0.045 121.296 121.223 0.048 0.000 3.865 263 L HA -0.247 4.093 4.340 -0.000 0.000 0.408 263 L C -0.670 176.216 176.870 0.028 0.000 1.209 263 L CA 0.270 55.112 54.840 0.003 0.000 0.940 263 L CB -1.953 40.043 42.059 -0.105 0.000 1.971 263 L HN 0.291 nan 8.230 nan 0.000 0.899 264 L N 0.011 121.266 121.223 0.053 0.000 2.317 264 L HA 0.520 4.860 4.340 -0.000 0.000 0.281 264 L C 1.197 178.092 176.870 0.042 0.000 1.024 264 L CA -0.194 54.684 54.840 0.064 0.000 0.810 264 L CB 1.893 43.999 42.059 0.078 0.000 1.240 264 L HN 0.230 nan 8.230 nan 0.000 0.427 265 T N -1.866 112.703 114.554 0.024 0.000 2.753 265 T HA 0.051 4.401 4.350 -0.000 0.000 0.309 265 T C 1.293 175.993 174.700 0.000 0.000 1.043 265 T CA -0.034 62.071 62.100 0.007 0.000 0.964 265 T CB 0.754 69.615 68.868 -0.012 0.000 1.206 265 T HN 0.659 nan 8.240 nan 0.000 0.528 266 S N -1.144 114.551 115.700 -0.007 0.000 2.507 266 S HA -0.018 4.452 4.470 -0.000 0.000 0.235 266 S C 0.439 175.018 174.600 -0.034 0.000 0.988 266 S CA 0.498 58.690 58.200 -0.013 0.000 0.944 266 S CB -0.523 62.670 63.200 -0.011 0.000 0.762 266 S HN 0.824 nan 8.310 nan 0.000 0.526 267 D N 3.364 123.736 120.400 -0.046 0.000 2.454 267 D HA 0.383 5.023 4.640 -0.000 0.000 0.225 267 D C -2.551 173.674 176.300 -0.125 0.000 1.081 267 D CA -2.569 51.378 54.000 -0.088 0.000 0.864 267 D CB 1.409 42.172 40.800 -0.063 0.000 1.040 267 D HN 0.099 nan 8.370 nan 0.000 0.517 268 P HA 0.010 nan 4.420 nan 0.000 0.269 268 P C -0.252 176.906 177.300 -0.236 0.000 1.217 268 P CA 0.448 63.467 63.100 -0.135 0.000 0.783 268 P CB 0.609 32.224 31.700 -0.142 0.000 0.898 269 H N -2.291 116.673 119.070 -0.176 0.000 3.829 269 H HA -0.082 4.474 4.556 -0.000 0.000 0.153 269 H C 0.009 174.789 175.328 -0.913 0.000 0.816 269 H CA -0.089 55.689 56.048 -0.450 0.000 1.249 269 H CB -1.335 28.422 29.762 -0.008 0.000 0.854 269 H HN 0.342 nan 8.280 nan 0.000 0.467 270 I N 1.733 122.004 120.570 -0.499 0.000 2.500 270 I HA 0.338 4.508 4.170 -0.000 0.000 0.286 270 I C -0.343 175.721 176.117 -0.088 0.000 1.063 270 I CA -0.242 60.858 61.300 -0.333 0.000 1.062 270 I CB 1.966 39.862 38.000 -0.174 0.000 1.223 270 I HN -0.012 nan 8.210 nan 0.000 0.435 271 S N 3.801 119.531 115.700 0.050 0.000 2.664 271 S HA 0.881 5.351 4.470 -0.000 0.000 0.304 271 S C -0.448 174.156 174.600 0.007 0.000 1.099 271 S CA -0.646 57.612 58.200 0.097 0.000 1.003 271 S CB 2.226 65.532 63.200 0.176 0.000 1.092 271 S HN 0.692 nan 8.310 nan 0.000 0.525 272 A N 1.895 124.708 122.820 -0.012 0.000 2.374 272 A HA 0.856 5.176 4.320 -0.000 0.000 0.305 272 A C -0.691 176.853 177.584 -0.068 0.000 1.053 272 A CA -0.769 51.248 52.037 -0.033 0.000 0.726 272 A CB 0.495 19.484 19.000 -0.017 0.000 1.229 272 A HN 0.865 nan 8.150 nan 0.000 0.431 273 I N -0.724 119.795 120.570 -0.085 0.000 2.969 273 I HA 0.938 5.108 4.170 -0.000 0.000 0.307 273 I C 0.395 176.446 176.117 -0.110 0.000 1.149 273 I CA -0.272 60.942 61.300 -0.143 0.000 1.008 273 I CB 2.088 39.993 38.000 -0.158 0.000 1.232 273 I HN 1.806 nan 8.210 nan 0.000 0.435 274 G N 3.431 112.143 108.800 -0.147 0.000 2.568 274 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.222 274 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.222 274 G C -0.047 174.828 174.900 -0.040 0.000 1.321 274 G CA 0.496 45.542 45.100 -0.090 0.000 0.893 274 G HN 0.805 nan 8.290 nan 0.000 0.569 275 D N -0.216 120.174 120.400 -0.017 0.000 2.221 275 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 275 D C 2.559 178.866 176.300 0.012 0.000 0.982 275 D CA 2.275 56.278 54.000 0.006 0.000 0.857 275 D CB -0.535 40.266 40.800 0.002 0.000 0.934 275 D HN 0.987 nan 8.370 nan 0.000 0.475 276 C N -0.238 119.063 119.300 0.001 0.000 2.500 276 C HA 0.575 5.035 4.460 -0.000 0.000 0.273 276 C C 1.230 176.229 174.990 0.014 0.000 1.428 276 C CA -0.540 58.480 59.018 0.003 0.000 1.766 276 C CB -1.118 26.617 27.740 -0.008 0.000 1.817 276 C HN 0.139 nan 8.230 nan 0.000 0.543 277 A N 0.921 123.758 122.820 0.028 0.000 2.301 277 A HA 0.627 4.947 4.320 -0.000 0.000 0.298 277 A C -0.501 177.172 177.584 0.148 0.000 1.185 277 A CA -0.385 51.691 52.037 0.066 0.000 0.830 277 A CB 0.260 19.277 19.000 0.029 0.000 1.112 277 A HN 0.682 nan 8.150 nan 0.000 0.508 278 L N 4.850 126.138 121.223 0.108 0.000 2.371 278 L HA 0.482 4.822 4.340 -0.000 0.000 0.262 278 L C -0.874 176.037 176.870 0.067 0.000 1.054 278 L CA -0.716 54.153 54.840 0.049 0.000 0.924 278 L CB -0.408 41.651 42.059 -0.001 0.000 1.295 278 L HN 0.787 nan 8.230 nan 0.000 0.441 279 F N 1.069 121.016 119.950 -0.005 0.000 2.380 279 F HA 0.496 5.023 4.527 -0.000 0.000 0.321 279 F C 0.220 176.054 175.800 0.057 0.000 1.103 279 F CA -0.924 57.085 58.000 0.014 0.000 1.067 279 F CB 0.576 39.570 39.000 -0.010 0.000 1.265 279 F HN 0.289 nan 8.300 nan 0.000 0.517 280 E N 1.378 121.683 120.200 0.175 0.000 2.194 280 E HA 0.193 4.542 4.350 -0.000 0.000 0.284 280 E C -1.137 175.610 176.600 0.245 0.000 1.035 280 E CA -0.471 55.985 56.400 0.095 0.000 0.836 280 E CB 0.988 30.753 29.700 0.108 0.000 1.070 280 E HN 0.706 nan 8.360 nan 0.000 0.401 281 S N 4.479 120.257 115.700 0.130 0.000 2.423 281 S HA 0.125 4.595 4.470 -0.000 0.000 0.317 281 S C 1.140 175.827 174.600 0.146 0.000 1.065 281 S CA -0.615 57.746 58.200 0.269 0.000 1.111 281 S CB 0.702 64.091 63.200 0.315 0.000 0.968 281 S HN 0.514 nan 8.310 nan 0.000 0.474 282 V N 4.962 124.942 119.914 0.110 0.000 2.287 282 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 282 V C 2.504 178.572 176.094 -0.044 0.000 1.053 282 V CA 1.973 64.291 62.300 0.031 0.000 1.027 282 V CB -1.168 30.664 31.823 0.015 0.000 0.646 282 V HN 0.870 nan 8.190 nan 0.000 0.447 283 R N 0.231 120.643 120.500 -0.146 0.000 2.083 283 R HA -0.118 4.222 4.340 -0.000 0.000 0.237 283 R C 2.066 178.104 176.300 -0.437 0.000 1.137 283 R CA 2.463 58.339 56.100 -0.373 0.000 0.951 283 R CB -0.363 29.544 30.300 -0.654 0.000 0.851 283 R HN 0.568 nan 8.270 nan 0.000 0.434 284 F N -0.169 119.807 119.950 0.043 0.000 2.765 284 F HA 0.303 4.830 4.527 -0.000 0.000 0.302 284 F C 1.309 177.118 175.800 0.015 0.000 1.111 284 F CA 0.304 58.320 58.000 0.027 0.000 1.359 284 F CB 0.620 39.627 39.000 0.012 0.000 1.097 284 F HN 0.306 nan 8.300 nan 0.000 0.577 285 G N 1.971 110.842 108.800 0.119 0.000 2.338 285 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.296 285 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.296 285 G C -0.244 174.698 174.900 0.071 0.000 1.040 285 G CA 0.697 45.844 45.100 0.078 0.000 1.004 285 G HN 0.562 nan 8.290 nan 0.000 0.509 286 E N -1.963 118.275 120.200 0.064 0.000 2.409 286 E HA 0.575 4.925 4.350 -0.000 0.000 0.280 286 E C -0.403 176.159 176.600 -0.064 0.000 1.079 286 E CA -0.680 55.724 56.400 0.008 0.000 0.840 286 E CB 0.326 30.031 29.700 0.008 0.000 1.309 286 E HN 0.575 nan 8.360 nan 0.000 0.447 287 T N -0.288 114.204 114.554 -0.103 0.000 2.806 287 T HA 0.661 5.011 4.350 -0.000 0.000 0.290 287 T C 0.313 174.854 174.700 -0.264 0.000 0.966 287 T CA -0.655 61.328 62.100 -0.194 0.000 1.060 287 T CB 0.462 69.263 68.868 -0.111 0.000 0.927 287 T HN 0.608 nan 8.240 nan 0.000 0.485 288 M N 1.107 120.410 119.600 -0.495 0.000 2.721 288 M HA 0.628 5.108 4.480 -0.000 0.000 0.271 288 M C -1.346 174.732 176.300 -0.370 0.000 1.259 288 M CA -1.238 53.829 55.300 -0.388 0.000 0.835 288 M CB 2.553 34.950 32.600 -0.339 0.000 1.689 288 M HN 0.614 nan 8.290 nan 0.000 0.470 289 R N 1.309 121.746 120.500 -0.105 0.000 2.534 289 R HA 0.800 5.140 4.340 -0.000 0.000 0.301 289 R C -2.189 174.185 176.300 0.123 0.000 0.961 289 R CA -0.563 55.575 56.100 0.062 0.000 0.871 289 R CB 2.264 32.584 30.300 0.032 0.000 1.170 289 R HN 0.717 nan 8.270 nan 0.000 0.446 290 V N 3.796 123.850 119.914 0.233 0.000 2.540 290 V HA 0.295 4.415 4.120 -0.000 0.000 0.302 290 V C -0.575 175.606 176.094 0.145 0.000 1.035 290 V CA -0.782 61.648 62.300 0.217 0.000 0.873 290 V CB 1.919 33.913 31.823 0.284 0.000 0.992 290 V HN 0.802 nan 8.190 nan 0.000 0.428 291 E N 3.517 123.811 120.200 0.156 0.000 2.042 291 E HA 0.558 4.908 4.350 -0.000 0.000 0.260 291 E C -0.466 176.197 176.600 0.105 0.000 0.975 291 E CA -0.164 56.288 56.400 0.088 0.000 0.799 291 E CB 1.188 30.924 29.700 0.059 0.000 1.131 291 E HN 0.776 nan 8.360 nan 0.000 0.423 292 S N -0.543 115.146 115.700 -0.019 0.000 2.567 292 S HA 0.164 4.634 4.470 -0.000 0.000 0.270 292 S C 0.483 174.922 174.600 -0.269 0.000 1.152 292 S CA -0.843 57.269 58.200 -0.147 0.000 0.835 292 S CB 1.200 64.267 63.200 -0.222 0.000 1.115 292 S HN 0.086 nan 8.310 nan 0.000 0.459 293 V N 2.007 121.710 119.914 -0.352 0.000 2.407 293 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 293 V C 2.969 178.899 176.094 -0.273 0.000 1.055 293 V CA 2.318 64.426 62.300 -0.321 0.000 1.049 293 V CB -0.835 30.868 31.823 -0.200 0.000 0.662 293 V HN 0.984 nan 8.190 nan 0.000 0.455 294 Q N 1.071 120.565 119.800 -0.509 0.000 2.030 294 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 294 Q C 2.164 177.958 176.000 -0.344 0.000 0.986 294 Q CA 2.443 57.851 55.803 -0.659 0.000 0.843 294 Q CB -0.717 27.105 28.738 -1.526 0.000 0.904 294 Q HN 0.753 nan 8.270 nan 0.000 0.420 295 N N -0.240 118.266 118.700 -0.324 0.000 2.120 295 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 295 N C 1.778 177.184 175.510 -0.174 0.000 1.024 295 N CA 1.566 54.508 53.050 -0.180 0.000 0.852 295 N CB -0.054 38.352 38.487 -0.135 0.000 1.003 295 N HN 0.323 nan 8.380 nan 0.000 0.424 296 A N 0.310 123.041 122.820 -0.148 0.000 1.902 296 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 296 A C 2.378 179.916 177.584 -0.076 0.000 1.181 296 A CA 2.025 54.002 52.037 -0.099 0.000 0.623 296 A CB -1.084 17.899 19.000 -0.028 0.000 0.818 296 A HN 0.424 nan 8.150 nan 0.000 0.443 297 T N 0.254 114.778 114.554 -0.050 0.000 2.668 297 T HA -0.114 4.236 4.350 -0.000 0.000 0.262 297 T C 1.548 176.242 174.700 -0.010 0.000 1.045 297 T CA 1.505 63.597 62.100 -0.013 0.000 1.152 297 T CB -0.441 68.444 68.868 0.029 0.000 0.864 297 T HN 0.463 nan 8.240 nan 0.000 0.419 298 D N 1.117 121.529 120.400 0.019 0.000 2.144 298 D HA -0.073 4.567 4.640 -0.000 0.000 0.199 298 D C 2.319 178.705 176.300 0.145 0.000 0.984 298 D CA 0.945 55.013 54.000 0.114 0.000 0.834 298 D CB -0.301 40.610 40.800 0.185 0.000 0.955 298 D HN 0.438 nan 8.370 nan 0.000 0.465 299 Q N 0.113 119.877 119.800 -0.061 0.000 2.119 299 Q HA -0.062 4.278 4.340 -0.000 0.000 0.201 299 Q C 2.195 178.083 176.000 -0.185 0.000 0.972 299 Q CA 1.207 56.793 55.803 -0.363 0.000 0.847 299 Q CB -0.044 28.299 28.738 -0.658 0.000 0.903 299 Q HN 0.219 nan 8.270 nan 0.000 0.433 300 A N 1.149 123.891 122.820 -0.130 0.000 1.877 300 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 300 A C 1.979 179.510 177.584 -0.087 0.000 1.186 300 A CA 1.385 53.356 52.037 -0.111 0.000 0.620 300 A CB -0.420 18.518 19.000 -0.103 0.000 0.822 300 A HN 0.227 nan 8.150 nan 0.000 0.443 301 R N -1.229 119.242 120.500 -0.048 0.000 2.091 301 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 301 R C 2.390 178.679 176.300 -0.018 0.000 1.136 301 R CA 1.468 57.551 56.100 -0.029 0.000 0.959 301 R CB -0.967 29.335 30.300 0.003 0.000 0.856 301 R HN 0.683 nan 8.270 nan 0.000 0.437 302 C N 0.319 119.629 119.300 0.016 0.000 2.413 302 C HA -0.085 4.375 4.460 -0.000 0.000 0.276 302 C C 2.589 177.565 174.990 -0.023 0.000 1.248 302 C CA 0.771 59.810 59.018 0.036 0.000 1.742 302 C CB -0.719 27.108 27.740 0.145 0.000 2.017 302 C HN 0.298 nan 8.230 nan 0.000 0.481 303 V N 1.373 121.244 119.914 -0.070 0.000 2.323 303 V HA -0.081 4.039 4.120 -0.000 0.000 0.244 303 V C 2.924 178.939 176.094 -0.133 0.000 1.041 303 V CA 2.092 64.326 62.300 -0.110 0.000 1.025 303 V CB -1.292 30.451 31.823 -0.133 0.000 0.656 303 V HN 0.675 nan 8.190 nan 0.000 0.451 304 A N 0.089 122.835 122.820 -0.123 0.000 1.908 304 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 304 A C 2.399 179.933 177.584 -0.083 0.000 1.181 304 A CA 2.210 54.170 52.037 -0.129 0.000 0.627 304 A CB -0.759 18.175 19.000 -0.110 0.000 0.818 304 A HN 0.579 nan 8.150 nan 0.000 0.445 305 A N -0.684 122.104 122.820 -0.053 0.000 1.930 305 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 305 A C 2.253 179.823 177.584 -0.024 0.000 1.175 305 A CA 1.608 53.630 52.037 -0.026 0.000 0.627 305 A CB -0.443 18.550 19.000 -0.013 0.000 0.815 305 A HN 0.553 nan 8.150 nan 0.000 0.443 306 R N -0.247 120.227 120.500 -0.043 0.000 2.062 306 R HA 0.023 4.363 4.340 -0.000 0.000 0.231 306 R C 1.695 177.965 176.300 -0.049 0.000 1.136 306 R CA 1.336 57.412 56.100 -0.041 0.000 0.948 306 R CB -0.425 29.843 30.300 -0.055 0.000 0.845 306 R HN 0.497 nan 8.270 nan 0.000 0.430 307 L N 0.941 122.097 121.223 -0.111 0.000 2.642 307 L HA -0.077 4.263 4.340 -0.000 0.000 0.236 307 L C 1.374 178.284 176.870 0.066 0.000 1.169 307 L CA 1.308 56.084 54.840 -0.107 0.000 0.851 307 L CB -0.311 41.564 42.059 -0.306 0.000 0.968 307 L HN 0.444 nan 8.230 nan 0.000 0.453 308 T N -5.437 109.151 114.554 0.056 0.000 3.111 308 T HA 0.519 4.869 4.350 -0.000 0.000 0.284 308 T C 0.882 175.614 174.700 0.053 0.000 0.983 308 T CA 0.258 62.422 62.100 0.107 0.000 0.900 308 T CB 1.244 70.175 68.868 0.105 0.000 1.132 308 T HN 0.350 nan 8.240 nan 0.000 0.531 309 G N 2.347 111.167 108.800 0.033 0.000 3.714 309 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.146 309 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.146 309 G C -1.139 173.770 174.900 0.014 0.000 2.286 309 G CA -0.058 45.055 45.100 0.022 0.000 1.218 309 G HN 0.682 nan 8.290 nan 0.000 0.362 310 D N 1.994 122.399 120.400 0.009 0.000 2.380 310 D HA 0.615 5.255 4.640 -0.000 0.000 0.230 310 D C 0.225 176.529 176.300 0.006 0.000 1.154 310 D CA 0.273 54.278 54.000 0.007 0.000 0.859 310 D CB 1.268 42.071 40.800 0.005 0.000 1.045 310 D HN 0.755 nan 8.370 nan 0.000 0.495 311 A N 3.666 126.492 122.820 0.010 0.000 2.269 311 A HA 0.453 4.773 4.320 -0.000 0.000 0.302 311 A C 0.098 177.692 177.584 0.017 0.000 1.266 311 A CA -0.587 51.457 52.037 0.013 0.000 0.894 311 A CB 0.401 19.412 19.000 0.018 0.000 1.147 311 A HN 0.532 nan 8.150 nan 0.000 0.537 312 K N 2.482 122.894 120.400 0.020 0.000 2.443 312 K HA 0.536 4.856 4.320 -0.000 0.000 0.251 312 K C -2.973 173.651 176.600 0.039 0.000 0.972 312 K CA -1.962 54.338 56.287 0.022 0.000 0.833 312 K CB 1.981 34.487 32.500 0.010 0.000 1.317 312 K HN 0.334 nan 8.250 nan 0.000 0.441 313 P HA -0.051 nan 4.420 nan 0.000 0.268 313 P C -1.198 176.142 177.300 0.066 0.000 1.204 313 P CA -0.094 63.044 63.100 0.064 0.000 0.768 313 P CB 0.168 31.893 31.700 0.042 0.000 0.842 314 Y N 3.016 123.315 120.300 -0.001 0.000 2.620 314 Y HA 0.125 4.675 4.550 -0.000 0.000 0.330 314 Y C 0.589 176.484 175.900 -0.008 0.000 1.186 314 Y CA 0.525 58.598 58.100 -0.044 0.000 1.467 314 Y CB 0.274 38.656 38.460 -0.130 0.000 1.262 314 Y HN 0.348 nan 8.280 nan 0.000 0.550 315 D N 3.809 123.700 120.400 -0.848 0.000 2.822 315 D HA 0.160 4.800 4.640 -0.000 0.000 0.327 315 D C -0.015 175.925 176.300 -0.600 0.000 1.577 315 D CA -0.018 53.619 54.000 -0.605 0.000 0.785 315 D CB -0.360 40.291 40.800 -0.248 0.000 1.199 315 D HN 0.789 nan 8.370 nan 0.000 0.443 316 G N 1.257 109.400 108.800 -1.095 0.000 2.298 316 G HA2 0.079 4.039 3.960 -0.000 0.000 0.263 316 G HA3 0.079 4.039 3.960 -0.000 0.000 0.263 316 G C -0.282 174.542 174.900 -0.127 0.000 1.229 316 G CA 0.019 44.892 45.100 -0.378 0.000 0.976 316 G HN 0.246 nan 8.290 nan 0.000 0.459 317 Y N 5.565 125.854 120.300 -0.018 0.000 2.544 317 Y HA 0.221 4.771 4.550 -0.000 0.000 0.330 317 Y C -1.366 174.633 175.900 0.165 0.000 1.136 317 Y CA -1.701 56.464 58.100 0.107 0.000 1.417 317 Y CB 0.979 39.504 38.460 0.107 0.000 1.229 317 Y HN 0.394 nan 8.280 nan 0.000 0.532 318 P HA 0.024 nan 4.420 nan 0.000 0.271 318 P C -1.147 176.098 177.300 -0.092 0.000 1.220 318 P CA 0.228 63.159 63.100 -0.282 0.000 0.768 318 P CB 0.355 31.914 31.700 -0.235 0.000 0.848 319 W N 2.954 123.947 121.300 -0.512 0.000 3.296 319 W HA 0.582 5.242 4.660 -0.000 0.000 0.314 319 W C -2.338 173.869 176.519 -0.520 0.000 1.238 319 W CA -1.010 56.186 57.345 -0.248 0.000 1.193 319 W CB 0.287 29.828 29.460 0.135 0.000 1.383 319 W HN 0.215 nan 8.180 nan 0.000 0.545 320 F N 1.043 121.254 119.950 0.435 0.000 2.675 320 F HA 0.801 5.328 4.527 -0.000 0.000 0.324 320 F C -0.646 175.345 175.800 0.319 0.000 1.106 320 F CA -0.947 57.179 58.000 0.210 0.000 0.970 320 F CB 1.724 40.711 39.000 -0.023 0.000 1.385 320 F HN 0.512 nan 8.300 nan 0.000 0.489 321 W N -0.425 120.906 121.300 0.051 0.000 3.066 321 W HA 0.775 5.435 4.660 -0.000 0.000 0.330 321 W C -1.946 174.386 176.519 -0.312 0.000 1.253 321 W CA -1.245 56.036 57.345 -0.105 0.000 1.187 321 W CB 1.359 30.808 29.460 -0.017 0.000 1.434 321 W HN 0.582 nan 8.180 nan 0.000 0.572 322 S N 1.176 116.798 115.700 -0.129 0.000 2.543 322 S HA 0.416 4.886 4.470 -0.000 0.000 0.271 322 S C -2.183 172.452 174.600 0.057 0.000 1.148 322 S CA -0.598 57.441 58.200 -0.270 0.000 0.914 322 S CB 1.153 64.034 63.200 -0.533 0.000 1.096 322 S HN 0.432 nan 8.310 nan 0.000 0.471 323 D N 3.412 123.871 120.400 0.098 0.000 2.461 323 D HA 0.341 4.981 4.640 -0.000 0.000 0.240 323 D C -0.752 175.633 176.300 0.142 0.000 1.094 323 D CA -0.121 53.978 54.000 0.164 0.000 0.868 323 D CB 1.394 42.314 40.800 0.199 0.000 1.062 323 D HN 0.461 nan 8.370 nan 0.000 0.530 324 Q N 1.138 121.047 119.800 0.181 0.000 2.357 324 Q HA 0.539 4.879 4.340 -0.000 0.000 0.266 324 Q C 0.972 177.121 176.000 0.247 0.000 1.021 324 Q CA -0.764 55.176 55.803 0.228 0.000 0.784 324 Q CB 2.087 30.974 28.738 0.247 0.000 1.243 324 Q HN 0.619 nan 8.270 nan 0.000 0.465 325 G N 3.219 112.133 108.800 0.190 0.000 2.596 325 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.304 325 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.304 325 G C 0.182 175.153 174.900 0.119 0.000 1.189 325 G CA 0.435 45.618 45.100 0.139 0.000 0.986 325 G HN 0.682 nan 8.290 nan 0.000 0.548 326 D N 2.038 122.502 120.400 0.108 0.000 2.349 326 D HA 0.206 4.846 4.640 -0.000 0.000 0.214 326 D C 0.144 176.518 176.300 0.123 0.000 1.063 326 D CA 0.306 54.363 54.000 0.095 0.000 0.847 326 D CB 0.164 41.004 40.800 0.066 0.000 0.933 326 D HN 0.392 nan 8.370 nan 0.000 0.513 327 D N 1.111 121.622 120.400 0.185 0.000 2.193 327 D HA 0.228 4.868 4.640 -0.000 0.000 0.249 327 D C 0.117 176.572 176.300 0.259 0.000 1.034 327 D CA -0.222 53.923 54.000 0.241 0.000 0.902 327 D CB 2.036 43.063 40.800 0.378 0.000 1.182 327 D HN -0.189 nan 8.370 nan 0.000 0.436 328 K N 1.836 122.352 120.400 0.195 0.000 2.292 328 K HA 0.468 4.788 4.320 -0.000 0.000 0.257 328 K C -1.587 175.113 176.600 0.167 0.000 0.940 328 K CA -0.668 55.717 56.287 0.162 0.000 0.811 328 K CB 1.091 33.636 32.500 0.074 0.000 1.120 328 K HN 0.324 nan 8.250 nan 0.000 0.428 329 L N 4.472 125.805 121.223 0.182 0.000 2.333 329 L HA 0.471 4.811 4.340 -0.000 0.000 0.280 329 L C -1.265 175.652 176.870 0.079 0.000 1.004 329 L CA -0.486 54.446 54.840 0.154 0.000 0.820 329 L CB 1.625 43.787 42.059 0.172 0.000 1.247 329 L HN 0.811 nan 8.230 nan 0.000 0.416 330 Q N 5.442 125.248 119.800 0.009 0.000 2.337 330 Q HA 0.618 4.958 4.340 -0.000 0.000 0.270 330 Q C -1.352 174.690 176.000 0.070 0.000 1.043 330 Q CA -0.504 55.248 55.803 -0.085 0.000 0.794 330 Q CB 3.329 31.752 28.738 -0.526 0.000 1.281 330 Q HN 0.571 nan 8.270 nan 0.000 0.446 331 I N 1.822 122.546 120.570 0.257 0.000 2.498 331 I HA 0.515 4.685 4.170 -0.000 0.000 0.290 331 I C -1.034 175.442 176.117 0.598 0.000 1.032 331 I CA -1.145 60.392 61.300 0.394 0.000 1.073 331 I CB 2.116 40.361 38.000 0.407 0.000 1.251 331 I HN 0.266 nan 8.210 nan 0.000 0.426 332 V N 6.046 126.246 119.914 0.477 0.000 2.483 332 V HA 0.956 5.076 4.120 -0.000 0.000 0.297 332 V C -0.011 176.325 176.094 0.402 0.000 1.027 332 V CA 0.504 63.076 62.300 0.452 0.000 0.855 332 V CB 1.053 32.971 31.823 0.158 0.000 0.995 332 V HN 1.093 nan 8.190 nan 0.000 0.424 333 G N 5.231 114.323 108.800 0.487 0.000 2.603 333 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.686 333 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.686 333 G C -1.329 173.722 174.900 0.252 0.000 1.286 333 G CA -0.448 44.889 45.100 0.396 0.000 0.871 333 G HN 1.145 nan 8.290 nan 0.000 0.568 334 L N 0.980 122.253 121.223 0.084 0.000 2.280 334 L HA 0.489 4.829 4.340 -0.000 0.000 0.287 334 L C 1.701 178.599 176.870 0.047 0.000 1.023 334 L CA -0.140 54.698 54.840 -0.005 0.000 0.819 334 L CB 1.724 43.607 42.059 -0.294 0.000 1.212 334 L HN 0.916 nan 8.230 nan 0.000 0.420 335 T N -1.197 113.403 114.554 0.076 0.000 3.144 335 T HA 0.251 4.601 4.350 -0.000 0.000 0.249 335 T C 0.796 175.625 174.700 0.216 0.000 1.089 335 T CA -0.181 61.997 62.100 0.129 0.000 0.989 335 T CB 0.177 69.093 68.868 0.079 0.000 0.992 335 T HN 0.536 nan 8.240 nan 0.000 0.540 336 A N 0.824 123.719 122.820 0.126 0.000 2.511 336 A HA 0.527 4.847 4.320 -0.000 0.000 0.242 336 A C 1.653 179.309 177.584 0.119 0.000 1.069 336 A CA 0.227 52.340 52.037 0.127 0.000 0.763 336 A CB -1.000 18.017 19.000 0.028 0.000 1.001 336 A HN 1.455 nan 8.150 nan 0.000 0.498 337 G N 1.239 110.076 108.800 0.062 0.000 2.136 337 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.242 337 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.242 337 G C 0.062 174.941 174.900 -0.035 0.000 0.989 337 G CA 0.225 45.302 45.100 -0.039 0.000 0.682 337 G HN 2.005 nan 8.290 nan 0.000 0.522 338 F N 0.754 120.740 119.950 0.061 0.000 2.572 338 F HA 0.496 5.023 4.527 -0.000 0.000 0.370 338 F C 0.788 176.640 175.800 0.087 0.000 1.103 338 F CA -0.512 57.541 58.000 0.089 0.000 1.286 338 F CB 0.673 39.731 39.000 0.097 0.000 1.105 338 F HN 0.075 nan 8.300 nan 0.000 0.583 339 D N -0.135 120.366 120.400 0.167 0.000 2.520 339 D HA 0.126 4.766 4.640 -0.000 0.000 0.223 339 D C -0.284 176.125 176.300 0.182 0.000 1.186 339 D CA -0.102 53.943 54.000 0.075 0.000 0.821 339 D CB 0.126 40.945 40.800 0.032 0.000 1.072 339 D HN 0.725 nan 8.370 nan 0.000 0.518 340 Q N 0.478 120.464 119.800 0.309 0.000 2.364 340 Q HA 0.482 4.822 4.340 -0.000 0.000 0.257 340 Q C -2.287 173.922 176.000 0.348 0.000 0.956 340 Q CA -0.689 55.267 55.803 0.256 0.000 0.924 340 Q CB 2.277 31.097 28.738 0.138 0.000 1.413 340 Q HN -0.040 nan 8.270 nan 0.000 0.418 341 V N 3.650 123.724 119.914 0.268 0.000 2.531 341 V HA 0.583 4.703 4.120 -0.000 0.000 0.301 341 V C -0.582 175.637 176.094 0.208 0.000 1.034 341 V CA -0.660 61.798 62.300 0.264 0.000 0.865 341 V CB 1.891 33.812 31.823 0.164 0.000 0.995 341 V HN 0.633 nan 8.190 nan 0.000 0.424 342 V N 5.487 125.568 119.914 0.278 0.000 2.555 342 V HA 0.513 4.633 4.120 -0.000 0.000 0.302 342 V C -0.289 175.925 176.094 0.200 0.000 1.038 342 V CA -0.647 61.758 62.300 0.174 0.000 0.887 342 V CB 2.061 33.959 31.823 0.126 0.000 0.991 342 V HN 0.585 nan 8.190 nan 0.000 0.434 343 I N 4.676 125.311 120.570 0.107 0.000 2.331 343 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 343 I C 0.241 176.404 176.117 0.076 0.000 0.998 343 I CA -0.114 61.264 61.300 0.130 0.000 1.267 343 I CB 1.282 39.293 38.000 0.018 0.000 1.386 343 I HN 0.641 nan 8.210 nan 0.000 0.476 344 R N 4.103 124.695 120.500 0.153 0.000 2.437 344 R HA 0.623 4.963 4.340 -0.000 0.000 0.310 344 R C 0.161 176.554 176.300 0.155 0.000 0.955 344 R CA 0.140 56.270 56.100 0.051 0.000 0.851 344 R CB 1.477 31.743 30.300 -0.058 0.000 1.161 344 R HN 0.903 nan 8.270 nan 0.000 0.446 345 G N 1.472 110.325 108.800 0.089 0.000 2.482 345 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.214 345 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.214 345 G C -1.143 173.813 174.900 0.094 0.000 1.271 345 G CA -0.161 45.006 45.100 0.112 0.000 0.944 345 G HN 0.733 nan 8.290 nan 0.000 0.568 346 S N -1.387 114.386 115.700 0.121 0.000 2.614 346 S HA 0.575 5.045 4.470 -0.000 0.000 0.288 346 S C 1.110 175.733 174.600 0.037 0.000 1.137 346 S CA 0.406 58.629 58.200 0.039 0.000 0.992 346 S CB 1.744 64.961 63.200 0.030 0.000 1.026 346 S HN 1.523 nan 8.310 nan 0.000 0.486 347 V N 5.000 124.790 119.914 -0.207 0.000 2.358 347 V HA -0.064 4.056 4.120 -0.000 0.000 0.246 347 V C 2.835 178.941 176.094 0.020 0.000 1.047 347 V CA 2.301 64.409 62.300 -0.320 0.000 1.035 347 V CB -1.283 30.244 31.823 -0.493 0.000 0.658 347 V HN 0.949 nan 8.190 nan 0.000 0.452 348 A N -0.178 122.643 122.820 0.002 0.000 1.902 348 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 348 A C 2.058 179.685 177.584 0.073 0.000 1.181 348 A CA 1.580 53.642 52.037 0.041 0.000 0.623 348 A CB -0.381 18.626 19.000 0.012 0.000 0.818 348 A HN 0.511 nan 8.150 nan 0.000 0.443 349 E N -0.637 119.604 120.200 0.069 0.000 2.511 349 E HA -0.024 4.326 4.350 -0.000 0.000 0.196 349 E C 0.074 176.735 176.600 0.101 0.000 1.066 349 E CA 0.187 56.631 56.400 0.073 0.000 0.871 349 E CB -0.245 29.489 29.700 0.058 0.000 0.863 349 E HN 0.586 nan 8.360 nan 0.000 0.520 350 R N -0.063 120.531 120.500 0.157 0.000 3.651 350 R HA -0.136 4.204 4.340 -0.000 0.000 0.292 350 R C -0.208 176.117 176.300 0.042 0.000 1.161 350 R CA 0.873 57.072 56.100 0.165 0.000 0.787 350 R CB -2.401 28.009 30.300 0.184 0.000 1.249 350 R HN 0.030 nan 8.270 nan 0.000 0.476 351 S N 0.214 115.967 115.700 0.088 0.000 2.680 351 S HA 0.643 5.113 4.470 -0.000 0.000 0.262 351 S C -0.863 173.802 174.600 0.108 0.000 1.138 351 S CA -0.752 57.445 58.200 -0.005 0.000 1.072 351 S CB 0.697 63.906 63.200 0.014 0.000 1.097 351 S HN 0.375 nan 8.310 nan 0.000 0.468 352 F N 0.787 120.683 119.950 -0.091 0.000 2.858 352 F HA 0.855 5.382 4.527 -0.000 0.000 0.319 352 F C -1.125 174.683 175.800 0.013 0.000 1.166 352 F CA -0.830 57.150 58.000 -0.034 0.000 0.899 352 F CB 0.788 39.748 39.000 -0.066 0.000 1.332 352 F HN 0.258 nan 8.300 nan 0.000 0.461 353 S N 0.178 116.035 115.700 0.261 0.000 2.569 353 S HA 0.852 5.322 4.470 -0.000 0.000 0.280 353 S C -1.233 173.663 174.600 0.494 0.000 1.111 353 S CA -0.424 57.913 58.200 0.229 0.000 0.887 353 S CB 1.802 65.197 63.200 0.325 0.000 1.095 353 S HN 1.077 nan 8.310 nan 0.000 0.476 354 A N 1.993 125.030 122.820 0.362 0.000 2.273 354 A HA 0.719 5.039 4.320 -0.000 0.000 0.320 354 A C -1.095 176.693 177.584 0.339 0.000 1.358 354 A CA -0.397 51.862 52.037 0.371 0.000 0.910 354 A CB -0.321 18.835 19.000 0.261 0.000 1.159 354 A HN 0.559 nan 8.150 nan 0.000 0.526 355 F N 2.034 122.094 119.950 0.184 0.000 2.413 355 F HA 0.298 4.825 4.527 -0.000 0.000 0.359 355 F C 0.482 176.396 175.800 0.190 0.000 1.122 355 F CA -0.697 57.403 58.000 0.167 0.000 1.160 355 F CB 0.710 39.872 39.000 0.269 0.000 1.146 355 F HN 0.495 nan 8.300 nan 0.000 0.514 356 C N 4.760 124.140 119.300 0.133 0.000 2.330 356 C HA 0.583 5.043 4.460 -0.000 0.000 0.344 356 C C -0.248 174.780 174.990 0.064 0.000 1.273 356 C CA -1.031 58.092 59.018 0.175 0.000 1.879 356 C CB -0.795 27.002 27.740 0.095 0.000 2.376 356 C HN 0.613 nan 8.230 nan 0.000 0.534 357 Y N 0.755 121.184 120.300 0.215 0.000 2.598 357 Y HA 0.664 5.214 4.550 -0.000 0.000 0.340 357 Y C 0.167 176.176 175.900 0.183 0.000 1.038 357 Y CA -1.019 57.194 58.100 0.188 0.000 1.100 357 Y CB 1.309 39.865 38.460 0.160 0.000 1.281 357 Y HN 0.562 nan 8.280 nan 0.000 0.488 358 K N 0.922 121.509 120.400 0.312 0.000 2.615 358 K HA 0.594 4.914 4.320 -0.000 0.000 0.249 358 K C -0.689 176.017 176.600 0.176 0.000 0.977 358 K CA -0.115 56.296 56.287 0.207 0.000 0.833 358 K CB 1.197 33.796 32.500 0.164 0.000 1.208 358 K HN 0.904 nan 8.250 nan 0.000 0.443 359 A N 3.088 125.989 122.820 0.136 0.000 2.822 359 A HA -0.128 4.192 4.320 -0.000 0.000 0.287 359 A C 1.018 178.677 177.584 0.125 0.000 1.479 359 A CA 1.646 53.746 52.037 0.105 0.000 0.779 359 A CB -2.411 16.642 19.000 0.087 0.000 1.022 359 A HN 1.949 nan 8.150 nan 0.000 0.532 360 G N -1.786 107.108 108.800 0.157 0.000 2.184 360 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.264 360 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.264 360 G C 0.078 175.157 174.900 0.298 0.000 0.975 360 G CA 1.524 46.722 45.100 0.164 0.000 0.642 360 G HN 1.658 nan 8.290 nan 0.000 0.536 361 K N 0.462 121.055 120.400 0.321 0.000 2.270 361 K HA 0.620 4.940 4.320 -0.000 0.000 0.255 361 K C 0.293 177.003 176.600 0.182 0.000 0.936 361 K CA -1.158 55.291 56.287 0.270 0.000 0.809 361 K CB 0.827 33.423 32.500 0.161 0.000 1.131 361 K HN 0.023 nan 8.250 nan 0.000 0.427 362 L N 7.535 128.740 121.223 -0.030 0.000 2.534 362 L HA 0.067 4.407 4.340 -0.000 0.000 0.271 362 L C 0.589 177.392 176.870 -0.112 0.000 1.178 362 L CA 0.815 55.409 54.840 -0.411 0.000 0.907 362 L CB 0.088 41.964 42.059 -0.304 0.000 1.164 362 L HN 0.842 nan 8.230 nan 0.000 0.482 363 I N 1.975 122.501 120.570 -0.073 0.000 4.035 363 I HA 0.496 4.666 4.170 -0.000 0.000 0.321 363 I C 0.693 176.870 176.117 0.100 0.000 1.289 363 I CA 0.066 61.415 61.300 0.081 0.000 1.236 363 I CB 0.719 38.797 38.000 0.130 0.000 1.076 363 I HN 0.569 nan 8.210 nan 0.000 0.418 364 G N 1.600 110.405 108.800 0.008 0.000 2.489 364 G HA2 0.615 4.575 3.960 -0.000 0.000 0.291 364 G HA3 0.615 4.575 3.960 -0.000 0.000 0.291 364 G C -1.744 173.111 174.900 -0.076 0.000 1.487 364 G CA -0.613 44.510 45.100 0.038 0.000 0.795 364 G HN 0.081 nan 8.290 nan 0.000 0.513 365 I N 0.554 121.085 120.570 -0.066 0.000 2.499 365 I HA 0.342 4.512 4.170 -0.000 0.000 0.288 365 I C -0.760 175.358 176.117 0.002 0.000 1.048 365 I CA -0.659 60.529 61.300 -0.185 0.000 1.062 365 I CB 2.443 40.213 38.000 -0.384 0.000 1.238 365 I HN 0.435 nan 8.210 nan 0.000 0.426 366 E N 4.919 125.128 120.200 0.016 0.000 2.102 366 E HA 0.398 4.748 4.350 -0.000 0.000 0.263 366 E C -1.052 175.552 176.600 0.006 0.000 0.894 366 E CA -0.448 55.994 56.400 0.070 0.000 0.746 366 E CB 1.612 31.370 29.700 0.098 0.000 1.129 366 E HN 0.418 nan 8.360 nan 0.000 0.416 367 S N 1.924 117.615 115.700 -0.015 0.000 2.437 367 S HA 0.334 4.804 4.470 -0.000 0.000 0.305 367 S C -0.211 174.264 174.600 -0.208 0.000 1.109 367 S CA -0.754 57.376 58.200 -0.117 0.000 1.099 367 S CB 1.417 64.603 63.200 -0.023 0.000 1.004 367 S HN 0.222 nan 8.310 nan 0.000 0.475 368 V N 4.878 124.498 119.914 -0.490 0.000 2.350 368 V HA 0.301 4.421 4.120 -0.000 0.000 0.276 368 V C 0.077 175.962 176.094 -0.348 0.000 1.028 368 V CA -0.825 61.185 62.300 -0.483 0.000 0.860 368 V CB 0.536 31.744 31.823 -1.026 0.000 0.990 368 V HN 0.999 nan 8.190 nan 0.000 0.453 369 N N 4.394 123.005 118.700 -0.149 0.000 2.714 369 N HA -0.205 4.535 4.740 -0.000 0.000 0.252 369 N C 0.233 175.693 175.510 -0.083 0.000 1.014 369 N CA 0.826 53.827 53.050 -0.083 0.000 0.735 369 N CB -0.615 37.838 38.487 -0.056 0.000 0.924 369 N HN 0.760 nan 8.380 nan 0.000 0.540 370 R N -0.437 120.015 120.500 -0.079 0.000 2.754 370 R HA 0.348 4.688 4.340 -0.000 0.000 0.255 370 R C 1.032 177.333 176.300 0.002 0.000 1.723 370 R CA 0.226 56.304 56.100 -0.036 0.000 1.596 370 R CB 0.061 30.335 30.300 -0.043 0.000 1.424 370 R HN 0.184 nan 8.270 nan 0.000 0.662 371 A N 1.091 123.910 122.820 -0.001 0.000 1.986 371 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 371 A C 2.068 179.689 177.584 0.061 0.000 1.171 371 A CA 2.021 54.071 52.037 0.020 0.000 0.640 371 A CB -0.185 18.808 19.000 -0.012 0.000 0.811 371 A HN 0.643 nan 8.150 nan 0.000 0.451 372 A N -0.046 122.804 122.820 0.050 0.000 1.933 372 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 372 A C 1.741 179.396 177.584 0.118 0.000 1.175 372 A CA 1.872 53.948 52.037 0.064 0.000 0.628 372 A CB -0.510 18.515 19.000 0.043 0.000 0.814 372 A HN 0.453 nan 8.150 nan 0.000 0.444 373 D N -1.624 118.860 120.400 0.139 0.000 2.178 373 D HA -0.100 4.540 4.640 -0.000 0.000 0.202 373 D C 1.707 178.117 176.300 0.183 0.000 0.974 373 D CA 1.518 55.643 54.000 0.209 0.000 0.841 373 D CB -0.427 40.507 40.800 0.224 0.000 0.953 373 D HN 0.698 nan 8.370 nan 0.000 0.478 374 H N 0.299 119.385 119.070 0.027 0.000 2.357 374 H HA -0.016 4.540 4.556 -0.000 0.000 0.301 374 H C 1.882 177.178 175.328 -0.053 0.000 1.082 374 H CA 1.111 57.142 56.048 -0.027 0.000 1.342 374 H CB -0.156 29.573 29.762 -0.055 0.000 1.389 374 H HN -0.105 nan 8.280 nan 0.000 0.511 375 V N 0.431 120.312 119.914 -0.054 0.000 2.490 375 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 375 V C 2.241 178.279 176.094 -0.092 0.000 1.061 375 V CA 1.709 63.931 62.300 -0.130 0.000 1.064 375 V CB -0.852 30.947 31.823 -0.041 0.000 0.670 375 V HN 0.413 nan 8.190 nan 0.000 0.461 376 F N 2.098 121.983 119.950 -0.108 0.000 2.102 376 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 376 F C 2.175 177.901 175.800 -0.122 0.000 1.105 376 F CA 1.752 59.714 58.000 -0.064 0.000 1.239 376 F CB -0.947 38.076 39.000 0.039 0.000 0.991 376 F HN 0.132 nan 8.300 nan 0.000 0.474 377 G N 0.559 109.192 108.800 -0.279 0.000 2.421 377 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 377 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 377 G C 1.784 176.413 174.900 -0.452 0.000 1.171 377 G CA 0.444 45.296 45.100 -0.414 0.000 0.775 377 G HN 0.211 nan 8.290 nan 0.000 0.543 378 R N 0.383 120.603 120.500 -0.467 0.000 2.159 378 R HA -0.072 4.268 4.340 -0.000 0.000 0.237 378 R C 2.294 178.360 176.300 -0.391 0.000 1.131 378 R CA 1.481 57.306 56.100 -0.458 0.000 0.982 378 R CB -0.166 29.797 30.300 -0.561 0.000 0.868 378 R HN 0.392 nan 8.270 nan 0.000 0.453 379 K N 0.791 120.967 120.400 -0.372 0.000 2.168 379 K HA 0.091 4.411 4.320 -0.000 0.000 0.201 379 K C 1.862 178.252 176.600 -0.350 0.000 1.049 379 K CA 0.592 56.694 56.287 -0.308 0.000 0.974 379 K CB -0.200 32.162 32.500 -0.229 0.000 0.792 379 K HN 0.092 nan 8.250 nan 0.000 0.463 380 I N 0.299 120.580 120.570 -0.481 0.000 2.333 380 I HA -0.120 4.050 4.170 -0.000 0.000 0.246 380 I C 1.617 177.501 176.117 -0.389 0.000 1.106 380 I CA 0.884 61.911 61.300 -0.455 0.000 1.411 380 I CB 0.065 37.640 38.000 -0.709 0.000 1.082 380 I HN 0.148 nan 8.210 nan 0.000 0.420 381 L N 1.324 122.265 121.223 -0.470 0.000 2.042 381 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 381 L C -0.431 176.064 176.870 -0.625 0.000 1.076 381 L CA 1.461 56.011 54.840 -0.483 0.000 0.749 381 L CB -2.094 39.653 42.059 -0.520 0.000 0.893 381 L HN 0.221 nan 8.230 nan 0.000 0.432 382 P HA -0.148 nan 4.420 nan 0.000 0.220 382 P C 1.627 178.780 177.300 -0.244 0.000 1.148 382 P CA 1.235 64.019 63.100 -0.526 0.000 0.803 382 P CB 0.083 31.551 31.700 -0.386 0.000 0.782 383 L N -1.562 119.524 121.223 -0.228 0.000 2.599 383 L HA 0.009 4.349 4.340 -0.000 0.000 0.230 383 L C 0.505 177.312 176.870 -0.104 0.000 1.141 383 L CA 0.445 55.201 54.840 -0.139 0.000 0.877 383 L CB -0.969 41.012 42.059 -0.129 0.000 1.009 383 L HN 0.036 nan 8.230 nan 0.000 0.447 384 D N 0.209 120.539 120.400 -0.117 0.000 2.945 384 D HA -0.188 4.452 4.640 -0.000 0.000 0.225 384 D C 0.271 176.548 176.300 -0.037 0.000 1.158 384 D CA 0.920 54.887 54.000 -0.055 0.000 0.805 384 D CB -0.312 40.470 40.800 -0.031 0.000 1.098 384 D HN 0.274 nan 8.370 nan 0.000 0.426 385 K N -0.370 119.991 120.400 -0.066 0.000 2.109 385 K HA 0.670 4.990 4.320 -0.000 0.000 0.243 385 K C 0.042 176.638 176.600 -0.007 0.000 1.006 385 K CA -0.622 55.649 56.287 -0.027 0.000 0.917 385 K CB 1.877 34.354 32.500 -0.039 0.000 1.081 385 K HN 0.030 nan 8.250 nan 0.000 0.468 386 S N -0.168 115.569 115.700 0.062 0.000 2.685 386 S HA 0.616 5.086 4.470 -0.000 0.000 0.282 386 S C -1.665 173.065 174.600 0.216 0.000 1.159 386 S CA -0.730 57.543 58.200 0.121 0.000 0.833 386 S CB 1.663 64.946 63.200 0.139 0.000 1.151 386 S HN 0.240 nan 8.310 nan 0.000 0.485 387 V N 2.105 122.199 119.914 0.301 0.000 2.841 387 V HA 0.537 4.657 4.120 -0.000 0.000 0.310 387 V C 0.186 176.459 176.094 0.300 0.000 1.090 387 V CA -0.528 61.950 62.300 0.296 0.000 0.930 387 V CB 2.070 34.159 31.823 0.443 0.000 1.014 387 V HN 1.114 nan 8.190 nan 0.000 0.425 388 T N 2.480 117.083 114.554 0.082 0.000 2.856 388 T HA 0.227 4.577 4.350 -0.000 0.000 0.306 388 T C -1.825 172.842 174.700 -0.055 0.000 1.062 388 T CA -1.059 61.053 62.100 0.020 0.000 1.083 388 T CB 1.248 70.060 68.868 -0.095 0.000 0.984 388 T HN 0.452 nan 8.240 nan 0.000 0.542 389 P HA -0.043 nan 4.420 nan 0.000 0.218 389 P C 1.205 178.367 177.300 -0.230 0.000 1.148 389 P CA 0.928 63.791 63.100 -0.395 0.000 0.822 389 P CB 0.072 31.422 31.700 -0.583 0.000 0.784 390 E N -0.449 119.621 120.200 -0.217 0.000 2.072 390 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 390 E C 2.133 178.582 176.600 -0.252 0.000 0.985 390 E CA 1.220 57.505 56.400 -0.192 0.000 0.801 390 E CB -0.824 28.782 29.700 -0.158 0.000 0.750 390 E HN 0.384 nan 8.360 nan 0.000 0.452 391 Q N -0.040 119.534 119.800 -0.375 0.000 2.119 391 Q HA -0.015 4.325 4.340 -0.000 0.000 0.201 391 Q C 2.222 177.918 176.000 -0.507 0.000 0.972 391 Q CA 1.208 56.602 55.803 -0.681 0.000 0.847 391 Q CB -0.187 27.766 28.738 -1.308 0.000 0.903 391 Q HN 0.300 nan 8.270 nan 0.000 0.433 392 A N 1.173 123.748 122.820 -0.409 0.000 1.940 392 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 392 A C 2.236 179.515 177.584 -0.509 0.000 1.176 392 A CA 1.693 53.360 52.037 -0.617 0.000 0.631 392 A CB -0.659 17.921 19.000 -0.700 0.000 0.814 392 A HN 0.392 nan 8.150 nan 0.000 0.446 393 A N -0.767 121.873 122.820 -0.301 0.000 2.067 393 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 393 A C 0.948 178.456 177.584 -0.128 0.000 1.156 393 A CA 0.891 52.816 52.037 -0.187 0.000 0.683 393 A CB -0.278 18.645 19.000 -0.128 0.000 0.808 393 A HN 0.392 nan 8.150 nan 0.000 0.455 394 D N 0.459 120.786 120.400 -0.122 0.000 2.359 394 D HA 0.238 4.878 4.640 -0.000 0.000 0.250 394 D C 0.843 177.147 176.300 0.007 0.000 1.264 394 D CA -0.113 53.861 54.000 -0.042 0.000 0.911 394 D CB 0.123 40.911 40.800 -0.020 0.000 1.056 394 D HN 0.270 nan 8.370 nan 0.000 0.499 395 L N 2.570 123.789 121.223 -0.007 0.000 2.549 395 L HA -0.128 4.212 4.340 -0.000 0.000 0.230 395 L C 1.979 178.855 176.870 0.010 0.000 1.162 395 L CA 0.815 55.654 54.840 -0.001 0.000 0.834 395 L CB -0.335 41.721 42.059 -0.006 0.000 0.947 395 L HN 0.377 nan 8.230 nan 0.000 0.452 396 S N -1.473 114.246 115.700 0.031 0.000 2.556 396 S HA 0.003 4.473 4.470 -0.000 0.000 0.216 396 S C 0.414 175.042 174.600 0.046 0.000 0.970 396 S CA -0.503 57.711 58.200 0.024 0.000 0.912 396 S CB -0.185 63.029 63.200 0.024 0.000 0.790 396 S HN 0.205 nan 8.310 nan 0.000 0.504 397 F N 3.704 123.610 119.950 -0.074 0.000 2.421 397 F HA 0.439 4.966 4.527 -0.000 0.000 0.358 397 F C 0.003 175.744 175.800 -0.100 0.000 1.115 397 F CA -1.527 56.425 58.000 -0.081 0.000 1.160 397 F CB 0.479 39.419 39.000 -0.100 0.000 1.123 397 F HN 0.036 nan 8.300 nan 0.000 0.508 398 D N 6.110 126.155 120.400 -0.592 0.000 2.338 398 D HA 0.103 4.743 4.640 -0.000 0.000 0.255 398 D C 1.005 176.985 176.300 -0.534 0.000 1.237 398 D CA 0.149 53.885 54.000 -0.440 0.000 0.883 398 D CB 0.646 41.258 40.800 -0.314 0.000 1.087 398 D HN 0.667 nan 8.370 nan 0.000 0.485 399 L N 3.484 124.504 121.223 -0.339 0.000 2.156 399 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 399 L C 2.258 179.092 176.870 -0.059 0.000 1.095 399 L CA 0.734 55.368 54.840 -0.343 0.000 0.770 399 L CB -0.269 41.511 42.059 -0.465 0.000 0.914 399 L HN 0.435 nan 8.230 nan 0.000 0.439 400 K N 0.508 120.873 120.400 -0.059 0.000 2.026 400 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 400 K C 2.171 178.765 176.600 -0.009 0.000 1.048 400 K CA 1.374 57.662 56.287 0.002 0.000 0.929 400 K CB -0.139 32.346 32.500 -0.025 0.000 0.713 400 K HN 0.157 nan 8.250 nan 0.000 0.439 401 K N 0.986 121.338 120.400 -0.081 0.000 2.097 401 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 401 K C 2.093 178.670 176.600 -0.038 0.000 1.049 401 K CA 1.209 57.449 56.287 -0.078 0.000 0.933 401 K CB -0.087 32.331 32.500 -0.137 0.000 0.717 401 K HN 0.129 nan 8.250 nan 0.000 0.442 402 A N 0.612 123.404 122.820 -0.047 0.000 2.019 402 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 402 A C 2.052 179.769 177.584 0.223 0.000 1.164 402 A CA 1.731 53.839 52.037 0.118 0.000 0.644 402 A CB -0.417 18.724 19.000 0.234 0.000 0.805 402 A HN 0.452 nan 8.150 nan 0.000 0.449 403 A N -1.166 121.788 122.820 0.224 0.000 2.308 403 A HA 0.671 4.991 4.320 -0.000 0.000 0.217 403 A C 1.314 178.921 177.584 0.037 0.000 1.216 403 A CA 0.697 52.812 52.037 0.130 0.000 0.864 403 A CB -0.640 18.463 19.000 0.170 0.000 0.902 403 A HN 0.834 nan 8.150 nan 0.000 0.499 404 A N 0.000 122.839 122.820 0.032 0.000 2.254 404 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 404 A CA 0.000 52.039 52.037 0.004 0.000 0.836 404 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 404 A HN 0.000 nan 8.150 nan 0.000 0.486