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 3mk6_1_B DATA FIRST_RESID 7 DATA SEQUENCE VPRGSPWFGM DIGGTLVKLS YFEPIDITAE EEQEEVESLK SIRKYLTSNX DATA SEQUENCE XXXXTGIRDV HLELKDLTLF GRRGNLHFIR FPTQDLPTFI QMGRDKNFST DATA SEQUENCE LQTVLCATGG GAYKFEKXXX XIGNLHLHKL DELDCLVKGL LYIDSVSFXX DATA SEQUENCE QAECYYFANA SEPERCQKMP FNLDDPYPLL VVNIGSGVSI LAVHSKDNYK DATA SEQUENCE RVTGTSLGGG TFLGLCSLLT GCESFEEALE MASKGDSTQA DKLVRDIYGG DATA SEQUENCE DYERFGLPGW AVASSFGNMI YKEKRESVSK EDLARATLVT ITNNIGSVAR DATA SEQUENCE MCAVNEKINR VVFVGNFLRV NTLSMKLLAY ALDYWSKGQL KALFLEHEGY DATA SEQUENCE FGAVGALLGL PN 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 175.697 176.094 -0.662 0.000 1.182 7 V CA 0.000 61.967 62.300 -0.555 0.000 1.235 7 V CB 0.000 31.700 31.823 -0.204 0.000 1.184 8 P HA 0.213 nan 4.420 nan 0.000 0.265 8 P C 0.635 177.779 177.300 -0.260 0.000 1.187 8 P CA 0.022 62.704 63.100 -0.696 0.000 0.766 8 P CB 0.788 31.872 31.700 -1.026 0.000 0.820 9 R N 1.925 122.326 120.500 -0.166 0.000 2.090 9 R HA 0.013 4.351 4.340 -0.004 0.000 0.228 9 R C 1.069 177.385 176.300 0.026 0.000 1.110 9 R CA 1.096 57.162 56.100 -0.056 0.000 0.973 9 R CB -0.434 29.829 30.300 -0.060 0.000 0.869 9 R HN 0.659 nan 8.270 nan 0.000 0.440 10 G N -0.537 108.290 108.800 0.044 0.000 2.477 10 G HA2 0.330 4.288 3.960 -0.004 0.000 0.304 10 G HA3 0.330 4.288 3.960 -0.004 0.000 0.304 10 G C -1.201 173.828 174.900 0.215 0.000 1.175 10 G CA -0.358 44.804 45.100 0.103 0.000 0.907 10 G HN 0.245 nan 8.290 nan 0.000 0.509 11 S N 0.809 116.573 115.700 0.105 0.000 2.549 11 S HA 0.772 5.240 4.470 -0.004 0.000 0.280 11 S C -2.946 171.584 174.600 -0.116 0.000 1.109 11 S CA -1.191 56.993 58.200 -0.027 0.000 0.905 11 S CB 2.882 66.005 63.200 -0.128 0.000 1.081 11 S HN 0.476 nan 8.310 nan 0.000 0.477 12 P HA 0.305 nan 4.420 nan 0.000 0.276 12 P C -0.972 176.378 177.300 0.085 0.000 1.261 12 P CA -0.486 62.451 63.100 -0.272 0.000 0.800 12 P CB 0.384 31.834 31.700 -0.416 0.000 1.066 13 W N 1.866 123.256 121.300 0.150 0.000 2.331 13 W HA 0.371 5.029 4.660 -0.004 0.000 0.306 13 W C -0.015 176.672 176.519 0.280 0.000 1.162 13 W CA -0.055 57.352 57.345 0.103 0.000 1.232 13 W CB -0.614 28.917 29.460 0.119 0.000 1.235 13 W HN 0.288 nan 8.180 nan 0.000 0.479 14 F N 0.532 120.727 119.950 0.409 0.000 2.643 14 F HA 0.954 5.479 4.527 -0.004 0.000 0.314 14 F C -0.232 175.739 175.800 0.284 0.000 1.096 14 F CA -1.839 56.380 58.000 0.366 0.000 0.953 14 F CB 1.312 40.550 39.000 0.396 0.000 1.345 14 F HN 0.348 nan 8.300 nan 0.000 0.468 15 G N 1.299 110.360 108.800 0.434 0.000 2.659 15 G HA2 0.664 4.621 3.960 -0.004 0.000 0.296 15 G HA3 0.664 4.621 3.960 -0.004 0.000 0.296 15 G C -1.784 173.337 174.900 0.369 0.000 1.369 15 G CA -1.212 44.077 45.100 0.316 0.000 0.937 15 G HN 1.043 nan 8.290 nan 0.000 0.485 16 M N 0.412 120.188 119.600 0.293 0.000 2.518 16 M HA 0.705 5.183 4.480 -0.004 0.000 0.300 16 M C -2.072 174.296 176.300 0.112 0.000 1.175 16 M CA -0.955 54.464 55.300 0.198 0.000 0.890 16 M CB 2.970 35.675 32.600 0.174 0.000 1.710 16 M HN 0.341 nan 8.290 nan 0.000 0.453 17 D N 3.055 123.488 120.400 0.055 0.000 2.453 17 D HA 0.493 5.130 4.640 -0.004 0.000 0.238 17 D C -1.385 174.884 176.300 -0.052 0.000 1.088 17 D CA -0.289 53.718 54.000 0.012 0.000 0.854 17 D CB 0.913 41.722 40.800 0.015 0.000 1.076 17 D HN 0.726 nan 8.370 nan 0.000 0.533 18 I N 3.548 124.092 120.570 -0.044 0.000 2.291 18 I HA 0.393 4.561 4.170 -0.004 0.000 0.290 18 I C 1.322 177.422 176.117 -0.028 0.000 1.050 18 I CA -0.586 60.673 61.300 -0.068 0.000 1.245 18 I CB 1.429 39.405 38.000 -0.039 0.000 1.405 18 I HN 0.302 nan 8.210 nan 0.000 0.478 19 G N 3.457 112.229 108.800 -0.048 0.000 2.543 19 G HA2 0.372 4.329 3.960 -0.004 0.000 0.290 19 G HA3 0.372 4.329 3.960 -0.004 0.000 0.290 19 G C 1.002 175.926 174.900 0.041 0.000 1.310 19 G CA -0.077 45.017 45.100 -0.010 0.000 1.025 19 G HN 0.687 nan 8.290 nan 0.000 0.502 20 G N -1.555 107.274 108.800 0.049 0.000 2.408 20 G HA2 -0.006 3.952 3.960 -0.004 0.000 0.217 20 G HA3 -0.006 3.952 3.960 -0.004 0.000 0.217 20 G C 1.390 176.342 174.900 0.086 0.000 1.150 20 G CA 1.804 46.950 45.100 0.078 0.000 0.776 20 G HN 0.581 nan 8.290 nan 0.000 0.542 21 T N -0.424 114.159 114.554 0.049 0.000 3.018 21 T HA 0.383 4.731 4.350 -0.004 0.000 0.246 21 T C 0.522 175.224 174.700 0.004 0.000 1.026 21 T CA -0.062 62.064 62.100 0.044 0.000 1.081 21 T CB 0.350 69.238 68.868 0.033 0.000 0.970 21 T HN -0.042 nan 8.240 nan 0.000 0.475 22 L N 1.877 123.071 121.223 -0.047 0.000 2.365 22 L HA 0.604 4.942 4.340 -0.004 0.000 0.273 22 L C -1.085 175.644 176.870 -0.235 0.000 1.000 22 L CA -1.042 53.720 54.840 -0.130 0.000 0.819 22 L CB 2.591 44.589 42.059 -0.102 0.000 1.284 22 L HN -0.083 nan 8.230 nan 0.000 0.418 23 V N 3.079 122.710 119.914 -0.471 0.000 2.481 23 V HA 0.352 4.470 4.120 -0.004 0.000 0.286 23 V C -0.031 175.761 176.094 -0.503 0.000 1.042 23 V CA -0.792 61.151 62.300 -0.595 0.000 0.928 23 V CB 1.558 32.722 31.823 -1.098 0.000 0.986 23 V HN 0.615 nan 8.190 nan 0.000 0.462 24 K N 4.493 124.743 120.400 -0.251 0.000 2.235 24 K HA 0.660 4.978 4.320 -0.004 0.000 0.266 24 K C -1.171 175.492 176.600 0.105 0.000 0.980 24 K CA -0.689 55.563 56.287 -0.060 0.000 0.849 24 K CB 2.253 34.629 32.500 -0.205 0.000 1.098 24 K HN 0.471 nan 8.250 nan 0.000 0.445 25 L N 1.169 122.564 121.223 0.286 0.000 2.385 25 L HA 0.430 4.767 4.340 -0.004 0.000 0.273 25 L C -0.903 176.193 176.870 0.376 0.000 0.990 25 L CA -0.152 54.865 54.840 0.295 0.000 0.821 25 L CB 2.159 44.353 42.059 0.225 0.000 1.279 25 L HN 0.544 nan 8.230 nan 0.000 0.412 26 S N 3.292 119.200 115.700 0.347 0.000 2.482 26 S HA 0.795 5.263 4.470 -0.004 0.000 0.303 26 S C -1.404 173.380 174.600 0.306 0.000 1.091 26 S CA -0.357 57.936 58.200 0.156 0.000 1.057 26 S CB 0.821 64.106 63.200 0.142 0.000 1.031 26 S HN 0.614 nan 8.310 nan 0.000 0.485 27 Y N 1.902 122.267 120.300 0.108 0.000 2.534 27 Y HA 0.752 5.300 4.550 -0.003 0.000 0.345 27 Y C -1.575 174.483 175.900 0.265 0.000 1.031 27 Y CA -1.640 56.616 58.100 0.260 0.000 1.022 27 Y CB 0.645 39.259 38.460 0.256 0.000 1.292 27 Y HN 0.527 nan 8.280 nan 0.000 0.459 28 F N 3.401 123.545 119.950 0.324 0.000 2.410 28 F HA 0.435 4.960 4.527 -0.003 0.000 0.349 28 F C -0.174 175.750 175.800 0.206 0.000 1.117 28 F CA -0.548 57.583 58.000 0.218 0.000 1.104 28 F CB 1.177 40.377 39.000 0.334 0.000 1.122 28 F HN 0.765 nan 8.300 nan 0.000 0.483 29 E N 8.751 128.693 120.200 -0.429 0.000 2.063 29 E HA 0.341 4.689 4.350 -0.004 0.000 0.265 29 E C -2.727 173.437 176.600 -0.727 0.000 0.919 29 E CA -2.556 53.641 56.400 -0.338 0.000 0.756 29 E CB 1.017 30.718 29.700 0.002 0.000 1.120 29 E HN 0.287 nan 8.360 nan 0.000 0.414 30 P HA 0.099 nan 4.420 nan 0.000 0.271 30 P C -0.055 177.118 177.300 -0.213 0.000 1.216 30 P CA -0.032 62.810 63.100 -0.430 0.000 0.776 30 P CB 0.817 32.423 31.700 -0.156 0.000 0.881 31 I N 1.781 122.280 120.570 -0.118 0.000 3.936 31 I HA 0.118 4.286 4.170 -0.004 0.000 0.330 31 I C -0.104 176.008 176.117 -0.008 0.000 1.509 31 I CA 0.283 61.550 61.300 -0.056 0.000 1.126 31 I CB -0.044 37.930 38.000 -0.043 0.000 1.115 31 I HN 0.184 nan 8.210 nan 0.000 0.424 32 D N 0.207 120.609 120.400 0.003 0.000 2.760 32 D HA 0.248 4.886 4.640 -0.004 0.000 0.314 32 D C 0.377 176.687 176.300 0.016 0.000 1.464 32 D CA -0.201 53.815 54.000 0.026 0.000 0.797 32 D CB -0.763 40.074 40.800 0.061 0.000 1.149 32 D HN 0.025 nan 8.370 nan 0.000 0.455 33 I N 0.724 121.291 120.570 -0.004 0.000 2.529 33 I HA 0.571 4.738 4.170 -0.004 0.000 0.284 33 I C 1.613 177.729 176.117 -0.002 0.000 1.082 33 I CA 0.239 61.532 61.300 -0.011 0.000 1.406 33 I CB 0.721 38.703 38.000 -0.030 0.000 1.405 33 I HN 0.315 nan 8.210 nan 0.000 0.548 34 T N 1.685 116.240 114.554 0.001 0.000 3.056 34 T HA 0.560 4.908 4.350 -0.004 0.000 0.243 34 T C 1.145 175.845 174.700 0.000 0.000 0.995 34 T CA 0.693 62.795 62.100 0.004 0.000 1.091 34 T CB -0.357 68.517 68.868 0.010 0.000 0.990 34 T HN 2.054 nan 8.240 nan 0.000 0.464 35 A N 1.900 124.718 122.820 -0.002 0.000 2.445 35 A HA 0.370 4.688 4.320 -0.004 0.000 0.242 35 A C 1.448 179.028 177.584 -0.007 0.000 1.075 35 A CA -0.350 51.685 52.037 -0.003 0.000 0.777 35 A CB 0.221 19.219 19.000 -0.004 0.000 1.013 35 A HN 0.317 nan 8.150 nan 0.000 0.493 36 E N 1.495 121.693 120.200 -0.003 0.000 2.106 36 E HA -0.154 4.194 4.350 -0.004 0.000 0.192 36 E C 2.331 178.928 176.600 -0.004 0.000 0.984 36 E CA 1.496 57.894 56.400 -0.004 0.000 0.806 36 E CB -0.084 29.615 29.700 -0.001 0.000 0.750 36 E HN 0.925 nan 8.360 nan 0.000 0.458 37 E N 1.070 121.269 120.200 -0.002 0.000 2.110 37 E HA -0.220 4.128 4.350 -0.004 0.000 0.193 37 E C 1.780 178.375 176.600 -0.008 0.000 0.988 37 E CA 1.595 57.996 56.400 0.001 0.000 0.804 37 E CB -0.608 29.095 29.700 0.005 0.000 0.745 37 E HN 0.410 nan 8.360 nan 0.000 0.458 38 E N -0.974 119.212 120.200 -0.024 0.000 2.107 38 E HA -0.173 4.175 4.350 -0.004 0.000 0.191 38 E C 2.415 178.987 176.600 -0.046 0.000 0.982 38 E CA 0.993 57.363 56.400 -0.050 0.000 0.809 38 E CB 0.064 29.728 29.700 -0.060 0.000 0.756 38 E HN 0.437 nan 8.360 nan 0.000 0.459 39 Q N 0.864 120.646 119.800 -0.029 0.000 2.096 39 Q HA -0.225 4.113 4.340 -0.004 0.000 0.204 39 Q C 1.983 177.975 176.000 -0.014 0.000 0.982 39 Q CA 2.564 58.353 55.803 -0.023 0.000 0.850 39 Q CB -0.394 28.335 28.738 -0.014 0.000 0.901 39 Q HN 0.386 nan 8.270 nan 0.000 0.422 40 E N 0.769 120.966 120.200 -0.004 0.000 2.110 40 E HA -0.218 4.130 4.350 -0.004 0.000 0.193 40 E C 1.738 178.360 176.600 0.036 0.000 0.988 40 E CA 1.479 57.887 56.400 0.013 0.000 0.804 40 E CB -0.711 28.999 29.700 0.017 0.000 0.745 40 E HN 0.745 nan 8.360 nan 0.000 0.458 41 E N -0.082 120.133 120.200 0.025 0.000 2.106 41 E HA -0.082 4.266 4.350 -0.004 0.000 0.192 41 E C 2.330 178.915 176.600 -0.024 0.000 0.984 41 E CA 1.097 57.512 56.400 0.025 0.000 0.806 41 E CB -0.067 29.557 29.700 -0.126 0.000 0.750 41 E HN 0.391 nan 8.360 nan 0.000 0.458 42 V N 1.694 121.578 119.914 -0.050 0.000 2.295 42 V HA -0.256 3.862 4.120 -0.004 0.000 0.246 42 V C 2.091 178.171 176.094 -0.024 0.000 1.049 42 V CA 1.838 64.108 62.300 -0.050 0.000 1.024 42 V CB -0.407 31.384 31.823 -0.052 0.000 0.648 42 V HN 0.238 nan 8.190 nan 0.000 0.447 43 E N -0.057 120.137 120.200 -0.009 0.000 2.085 43 E HA -0.195 4.153 4.350 -0.004 0.000 0.194 43 E C 2.404 179.004 176.600 0.001 0.000 0.994 43 E CA 1.619 58.016 56.400 -0.004 0.000 0.801 43 E CB -0.207 29.492 29.700 -0.002 0.000 0.743 43 E HN 0.527 nan 8.360 nan 0.000 0.453 44 S N 0.893 116.612 115.700 0.032 0.000 2.368 44 S HA -0.120 4.347 4.470 -0.004 0.000 0.225 44 S C 1.997 176.617 174.600 0.033 0.000 1.030 44 S CA 0.770 58.998 58.200 0.047 0.000 0.999 44 S CB -0.128 63.162 63.200 0.151 0.000 0.844 44 S HN 0.187 nan 8.310 nan 0.000 0.459 45 L N 1.132 122.365 121.223 0.017 0.000 2.109 45 L HA -0.073 4.265 4.340 -0.004 0.000 0.207 45 L C 2.528 179.293 176.870 -0.176 0.000 1.086 45 L CA 1.126 55.880 54.840 -0.143 0.000 0.760 45 L CB -0.342 41.520 42.059 -0.328 0.000 0.910 45 L HN 0.262 nan 8.230 nan 0.000 0.437 46 K N -0.224 120.125 120.400 -0.085 0.000 2.044 46 K HA -0.199 4.119 4.320 -0.004 0.000 0.210 46 K C 2.192 178.780 176.600 -0.021 0.000 1.049 46 K CA 1.946 58.210 56.287 -0.039 0.000 0.927 46 K CB 0.003 32.493 32.500 -0.016 0.000 0.713 46 K HN 0.156 nan 8.250 nan 0.000 0.443 47 S N 0.881 116.567 115.700 -0.023 0.000 2.368 47 S HA -0.106 4.362 4.470 -0.004 0.000 0.225 47 S C 1.909 176.506 174.600 -0.005 0.000 1.030 47 S CA 1.371 59.563 58.200 -0.012 0.000 0.999 47 S CB -0.260 62.921 63.200 -0.032 0.000 0.844 47 S HN 0.265 nan 8.310 nan 0.000 0.459 48 I N 1.402 121.947 120.570 -0.042 0.000 2.163 48 I HA -0.259 3.909 4.170 -0.004 0.000 0.243 48 I C 2.728 178.841 176.117 -0.008 0.000 1.085 48 I CA 1.465 62.742 61.300 -0.038 0.000 1.347 48 I CB -0.314 37.654 38.000 -0.054 0.000 1.044 48 I HN 0.228 nan 8.210 nan 0.000 0.408 49 R N 1.467 121.945 120.500 -0.037 0.000 2.073 49 R HA -0.195 4.143 4.340 -0.004 0.000 0.234 49 R C 2.284 178.607 176.300 0.040 0.000 1.134 49 R CA 1.586 57.693 56.100 0.013 0.000 0.952 49 R CB -0.104 30.242 30.300 0.077 0.000 0.850 49 R HN 0.272 nan 8.270 nan 0.000 0.433 50 K N -0.512 119.914 120.400 0.043 0.000 2.032 50 K HA -0.245 4.073 4.320 -0.004 0.000 0.209 50 K C 2.093 178.722 176.600 0.049 0.000 1.048 50 K CA 1.961 58.275 56.287 0.044 0.000 0.927 50 K CB -0.463 32.062 32.500 0.043 0.000 0.712 50 K HN 0.276 nan 8.250 nan 0.000 0.441 51 Y N 1.690 121.962 120.300 -0.047 0.000 2.145 51 Y HA -0.171 4.376 4.550 -0.004 0.000 0.286 51 Y C 1.891 177.753 175.900 -0.064 0.000 1.145 51 Y CA 1.353 59.419 58.100 -0.055 0.000 1.148 51 Y CB -0.151 38.264 38.460 -0.075 0.000 0.981 51 Y HN -0.065 nan 8.280 nan 0.000 0.507 52 L N -0.478 120.730 121.223 -0.025 0.000 2.141 52 L HA -0.136 4.202 4.340 -0.004 0.000 0.209 52 L C 2.096 178.924 176.870 -0.071 0.000 1.094 52 L CA 1.739 56.488 54.840 -0.153 0.000 0.763 52 L CB -0.690 41.131 42.059 -0.396 0.000 0.908 52 L HN 0.388 nan 8.230 nan 0.000 0.437 53 T N -5.083 109.456 114.554 -0.025 0.000 3.163 53 T HA 0.123 4.471 4.350 -0.004 0.000 0.252 53 T C 0.750 175.434 174.700 -0.026 0.000 1.056 53 T CA -0.291 61.822 62.100 0.023 0.000 0.947 53 T CB 0.018 68.927 68.868 0.068 0.000 1.016 53 T HN -0.031 nan 8.240 nan 0.000 0.554 54 S N 2.873 118.512 115.700 -0.102 0.000 2.429 54 S HA 0.449 4.917 4.470 -0.004 0.000 0.292 54 S C 1.033 175.576 174.600 -0.095 0.000 1.183 54 S CA -0.176 57.956 58.200 -0.112 0.000 1.088 54 S CB -0.687 62.394 63.200 -0.198 0.000 1.018 54 S HN 0.877 nan 8.310 nan 0.000 0.511 62 G N 1.671 110.485 108.800 0.023 0.000 2.453 62 G HA2 0.235 4.193 3.960 -0.004 0.000 0.215 62 G HA3 0.235 4.193 3.960 -0.004 0.000 0.215 62 G C 1.965 176.847 174.900 -0.031 0.000 1.201 62 G CA 2.575 47.686 45.100 0.018 0.000 0.784 62 G HN 1.351 nan 8.290 nan 0.000 0.545 63 I N 0.737 121.261 120.570 -0.077 0.000 2.286 63 I HA 0.068 4.236 4.170 -0.004 0.000 0.248 63 I C 2.742 178.648 176.117 -0.351 0.000 1.115 63 I CA 2.319 63.491 61.300 -0.213 0.000 1.392 63 I CB -1.023 36.883 38.000 -0.157 0.000 1.065 63 I HN 0.282 nan 8.210 nan 0.000 0.418 64 R N 0.557 120.976 120.500 -0.135 0.000 2.096 64 R HA -0.153 4.184 4.340 -0.004 0.000 0.235 64 R C 2.082 178.371 176.300 -0.020 0.000 1.127 64 R CA 1.845 57.919 56.100 -0.043 0.000 0.968 64 R CB -0.497 29.816 30.300 0.023 0.000 0.861 64 R HN 0.698 nan 8.270 nan 0.000 0.440 65 D N -0.024 120.376 120.400 -0.000 0.000 2.144 65 D HA -0.105 4.532 4.640 -0.004 0.000 0.200 65 D C 1.941 178.262 176.300 0.035 0.000 0.978 65 D CA 0.968 54.989 54.000 0.035 0.000 0.833 65 D CB -0.189 40.676 40.800 0.109 0.000 0.961 65 D HN -0.005 nan 8.370 nan 0.000 0.470 66 V N 1.380 121.282 119.914 -0.021 0.000 2.332 66 V HA -0.243 3.875 4.120 -0.004 0.000 0.248 66 V C 2.010 178.169 176.094 0.108 0.000 1.055 66 V CA 1.609 63.915 62.300 0.009 0.000 1.038 66 V CB -0.633 31.142 31.823 -0.079 0.000 0.651 66 V HN 0.296 nan 8.190 nan 0.000 0.450 67 H N -0.658 118.467 119.070 0.091 0.000 2.545 67 H HA 0.085 4.639 4.556 -0.003 0.000 0.282 67 H C 1.954 177.423 175.328 0.235 0.000 1.020 67 H CA 0.698 56.816 56.048 0.115 0.000 1.243 67 H CB -0.242 29.563 29.762 0.071 0.000 1.377 67 H HN 0.363 nan 8.280 nan 0.000 0.581 68 L N 0.272 121.639 121.223 0.240 0.000 2.558 68 L HA 0.043 4.381 4.340 -0.004 0.000 0.225 68 L C 1.108 178.197 176.870 0.365 0.000 1.128 68 L CA 0.050 54.923 54.840 0.054 0.000 0.868 68 L CB 0.064 41.867 42.059 -0.427 0.000 1.006 68 L HN 0.148 nan 8.230 nan 0.000 0.454 69 E N 1.667 122.075 120.200 0.347 0.000 2.502 69 E HA 0.001 4.348 4.350 -0.004 0.000 0.261 69 E C -0.702 176.070 176.600 0.288 0.000 0.974 69 E CA 0.009 56.527 56.400 0.197 0.000 0.936 69 E CB 0.517 30.195 29.700 -0.037 0.000 0.926 69 E HN 0.228 nan 8.360 nan 0.000 0.459 70 L N 5.598 126.936 121.223 0.192 0.000 2.265 70 L HA 0.354 4.692 4.340 -0.004 0.000 0.289 70 L C 0.258 177.171 176.870 0.072 0.000 1.033 70 L CA -0.503 54.456 54.840 0.199 0.000 0.814 70 L CB 1.134 43.297 42.059 0.174 0.000 1.203 70 L HN 0.363 nan 8.230 nan 0.000 0.423 71 K N 2.029 122.482 120.400 0.087 0.000 2.130 71 K HA 0.168 4.486 4.320 -0.004 0.000 0.268 71 K C -0.132 176.504 176.600 0.059 0.000 0.983 71 K CA -0.663 55.646 56.287 0.036 0.000 0.893 71 K CB 1.041 33.559 32.500 0.030 0.000 1.066 71 K HN 0.479 nan 8.250 nan 0.000 0.450 72 D N 1.517 121.946 120.400 0.050 0.000 2.772 72 D HA -0.163 4.475 4.640 -0.004 0.000 0.233 72 D C -0.344 176.016 176.300 0.099 0.000 1.143 72 D CA 0.717 54.758 54.000 0.068 0.000 0.700 72 D CB -0.865 39.964 40.800 0.050 0.000 1.076 72 D HN 0.521 nan 8.370 nan 0.000 0.430 73 L N -2.904 118.403 121.223 0.140 0.000 2.469 73 L HA 0.717 5.055 4.340 -0.004 0.000 0.253 73 L C 0.073 177.080 176.870 0.229 0.000 1.143 73 L CA -0.475 54.461 54.840 0.159 0.000 0.804 73 L CB 1.436 43.592 42.059 0.162 0.000 1.214 73 L HN -0.084 nan 8.230 nan 0.000 0.476 74 T N 2.896 117.563 114.554 0.189 0.000 2.792 74 T HA 0.633 4.981 4.350 -0.004 0.000 0.280 74 T C -0.832 173.957 174.700 0.149 0.000 0.990 74 T CA -0.265 61.947 62.100 0.186 0.000 0.960 74 T CB 1.376 70.318 68.868 0.124 0.000 0.939 74 T HN 0.497 nan 8.240 nan 0.000 0.439 75 L N 4.196 125.448 121.223 0.047 0.000 2.439 75 L HA 0.579 4.916 4.340 -0.004 0.000 0.270 75 L C -0.470 176.284 176.870 -0.194 0.000 0.972 75 L CA -0.474 54.221 54.840 -0.242 0.000 0.836 75 L CB 0.382 42.165 42.059 -0.459 0.000 1.255 75 L HN 0.831 nan 8.230 nan 0.000 0.404 76 F N 4.878 124.702 119.950 -0.210 0.000 3.067 76 F HA -0.170 4.355 4.527 -0.003 0.000 0.279 76 F C 1.560 177.341 175.800 -0.031 0.000 0.945 76 F CA 1.022 58.877 58.000 -0.242 0.000 0.948 76 F CB -1.384 37.221 39.000 -0.658 0.000 0.898 76 F HN 0.983 nan 8.300 nan 0.000 0.746 77 G N 0.284 109.169 108.800 0.141 0.000 2.160 77 G HA2 -0.329 3.629 3.960 -0.004 0.000 0.251 77 G HA3 -0.329 3.629 3.960 -0.004 0.000 0.251 77 G C 0.145 175.166 174.900 0.202 0.000 1.008 77 G CA 0.248 45.439 45.100 0.152 0.000 0.724 77 G HN 0.563 nan 8.290 nan 0.000 0.514 78 R N -0.670 119.982 120.500 0.253 0.000 2.750 78 R HA 0.538 4.876 4.340 -0.004 0.000 0.281 78 R C -0.145 176.389 176.300 0.390 0.000 0.972 78 R CA -1.078 55.213 56.100 0.318 0.000 0.912 78 R CB 1.287 31.829 30.300 0.404 0.000 1.187 78 R HN 0.049 nan 8.270 nan 0.000 0.464 79 R N 0.893 121.598 120.500 0.342 0.000 2.297 79 R HA 0.535 4.873 4.340 -0.004 0.000 0.308 79 R C -0.019 176.470 176.300 0.314 0.000 1.029 79 R CA -0.080 56.197 56.100 0.296 0.000 0.929 79 R CB 1.647 32.042 30.300 0.159 0.000 1.046 79 R HN 0.948 nan 8.270 nan 0.000 0.461 80 G N 1.833 110.795 108.800 0.270 0.000 2.428 80 G HA2 0.151 4.109 3.960 -0.004 0.000 0.304 80 G HA3 0.151 4.109 3.960 -0.004 0.000 0.304 80 G C -1.566 173.275 174.900 -0.099 0.000 1.303 80 G CA -0.715 44.285 45.100 -0.165 0.000 0.825 80 G HN 0.443 nan 8.290 nan 0.000 0.484 81 N N -0.496 118.013 118.700 -0.317 0.000 2.370 81 N HA 0.642 5.379 4.740 -0.004 0.000 0.303 81 N C -1.391 173.991 175.510 -0.213 0.000 1.103 81 N CA -0.501 52.432 53.050 -0.195 0.000 0.848 81 N CB 2.412 40.763 38.487 -0.225 0.000 1.235 81 N HN 0.428 nan 8.380 nan 0.000 0.496 82 L N 2.183 123.294 121.223 -0.188 0.000 2.313 82 L HA 0.372 4.710 4.340 -0.004 0.000 0.283 82 L C -0.461 175.975 176.870 -0.722 0.000 1.013 82 L CA -0.373 54.307 54.840 -0.266 0.000 0.816 82 L CB 0.406 42.418 42.059 -0.079 0.000 1.236 82 L HN 0.493 nan 8.230 nan 0.000 0.419 83 H N 4.496 123.036 119.070 -0.883 0.000 2.567 83 H HA 0.485 5.039 4.556 -0.003 0.000 0.345 83 H C -1.318 173.322 175.328 -1.147 0.000 1.169 83 H CA -0.271 55.221 56.048 -0.927 0.000 1.227 83 H CB 1.597 30.629 29.762 -1.217 0.000 1.607 83 H HN 0.431 nan 8.280 nan 0.000 0.534 84 F N 2.083 121.894 119.950 -0.232 0.000 2.536 84 F HA 0.384 4.909 4.527 -0.004 0.000 0.322 84 F C 0.214 175.903 175.800 -0.185 0.000 1.144 84 F CA -0.775 56.964 58.000 -0.434 0.000 0.924 84 F CB 1.358 39.693 39.000 -1.108 0.000 1.181 84 F HN 0.341 nan 8.300 nan 0.000 0.438 85 I N 0.788 121.504 120.570 0.244 0.000 3.074 85 I HA 0.831 4.998 4.170 -0.004 0.000 0.310 85 I C -1.292 175.088 176.117 0.439 0.000 1.153 85 I CA -1.273 60.233 61.300 0.343 0.000 0.993 85 I CB 2.861 41.063 38.000 0.337 0.000 1.237 85 I HN 0.687 nan 8.210 nan 0.000 0.443 86 R N 2.753 123.456 120.500 0.339 0.000 2.744 86 R HA 0.838 5.176 4.340 -0.004 0.000 0.279 86 R C -1.912 174.513 176.300 0.207 0.000 0.977 86 R CA -0.575 55.621 56.100 0.159 0.000 0.906 86 R CB 2.096 32.455 30.300 0.098 0.000 1.197 86 R HN 0.816 nan 8.270 nan 0.000 0.463 87 F N -2.123 117.839 119.950 0.019 0.000 2.713 87 F HA 0.658 5.183 4.527 -0.004 0.000 0.311 87 F C -3.102 172.695 175.800 -0.005 0.000 1.141 87 F CA -3.110 54.889 58.000 -0.000 0.000 0.939 87 F CB 0.762 39.754 39.000 -0.014 0.000 1.325 87 F HN 0.345 nan 8.300 nan 0.000 0.453 88 P HA 0.156 nan 4.420 nan 0.000 0.269 88 P C 0.784 178.150 177.300 0.109 0.000 1.215 88 P CA 0.182 63.346 63.100 0.105 0.000 0.780 88 P CB 0.951 32.733 31.700 0.136 0.000 0.898 89 T N -1.312 113.269 114.554 0.044 0.000 2.915 89 T HA -0.201 4.147 4.350 -0.004 0.000 0.269 89 T C 1.716 176.548 174.700 0.220 0.000 1.071 89 T CA 0.922 63.036 62.100 0.023 0.000 1.132 89 T CB -0.737 68.212 68.868 0.135 0.000 0.878 89 T HN 0.257 nan 8.240 nan 0.000 0.479 90 Q N 1.948 121.905 119.800 0.263 0.000 2.217 90 Q HA -0.181 4.157 4.340 -0.004 0.000 0.209 90 Q C 1.295 177.449 176.000 0.256 0.000 0.988 90 Q CA 2.000 57.963 55.803 0.267 0.000 0.878 90 Q CB -0.570 28.277 28.738 0.180 0.000 0.909 90 Q HN 0.600 nan 8.270 nan 0.000 0.424 91 D N -0.933 119.622 120.400 0.258 0.000 2.363 91 D HA -0.004 4.634 4.640 -0.004 0.000 0.214 91 D C 1.280 177.737 176.300 0.262 0.000 1.093 91 D CA -0.049 54.104 54.000 0.254 0.000 0.837 91 D CB 0.291 41.240 40.800 0.249 0.000 0.948 91 D HN 0.243 nan 8.370 nan 0.000 0.507 92 L N 1.879 123.241 121.223 0.232 0.000 2.046 92 L HA -0.021 4.317 4.340 -0.004 0.000 0.208 92 L C -0.966 176.005 176.870 0.169 0.000 1.077 92 L CA 1.981 56.930 54.840 0.182 0.000 0.747 92 L CB -1.184 40.702 42.059 -0.289 0.000 0.896 92 L HN -0.109 nan 8.230 nan 0.000 0.432 93 P HA -0.139 nan 4.420 nan 0.000 0.216 93 P C 1.605 178.952 177.300 0.078 0.000 1.150 93 P CA 1.874 65.069 63.100 0.158 0.000 0.843 93 P CB -0.209 31.608 31.700 0.195 0.000 0.787 94 T N -0.705 113.896 114.554 0.080 0.000 2.674 94 T HA -0.181 4.167 4.350 -0.004 0.000 0.265 94 T C 1.434 176.093 174.700 -0.069 0.000 1.039 94 T CA 1.197 63.292 62.100 -0.009 0.000 1.150 94 T CB -1.108 67.774 68.868 0.024 0.000 0.864 94 T HN 0.024 nan 8.240 nan 0.000 0.427 95 F N 2.171 122.027 119.950 -0.157 0.000 2.091 95 F HA -0.175 4.350 4.527 -0.004 0.000 0.299 95 F C 1.903 177.595 175.800 -0.180 0.000 1.103 95 F CA 1.024 58.886 58.000 -0.229 0.000 1.228 95 F CB -0.525 38.331 39.000 -0.241 0.000 0.984 95 F HN 0.026 nan 8.300 nan 0.000 0.477 96 I N 0.367 120.811 120.570 -0.210 0.000 2.142 96 I HA -0.288 3.880 4.170 -0.004 0.000 0.240 96 I C 2.441 178.383 176.117 -0.292 0.000 1.078 96 I CA 1.573 62.720 61.300 -0.255 0.000 1.343 96 I CB -1.692 36.306 38.000 -0.004 0.000 1.046 96 I HN 0.272 nan 8.210 nan 0.000 0.405 97 Q N 0.571 120.247 119.800 -0.206 0.000 2.084 97 Q HA -0.163 4.175 4.340 -0.004 0.000 0.202 97 Q C 2.283 178.099 176.000 -0.307 0.000 0.978 97 Q CA 1.699 57.380 55.803 -0.203 0.000 0.844 97 Q CB -0.244 28.410 28.738 -0.139 0.000 0.898 97 Q HN 0.412 nan 8.270 nan 0.000 0.426 98 M N -1.140 118.230 119.600 -0.383 0.000 2.073 98 M HA -0.162 4.316 4.480 -0.004 0.000 0.258 98 M C 2.058 177.946 176.300 -0.688 0.000 1.070 98 M CA 1.902 56.916 55.300 -0.476 0.000 1.103 98 M CB -0.793 31.528 32.600 -0.464 0.000 1.321 98 M HN 0.437 nan 8.290 nan 0.000 0.405 99 G N -0.252 108.018 108.800 -0.884 0.000 2.440 99 G HA2 -0.221 3.737 3.960 -0.004 0.000 0.218 99 G HA3 -0.221 3.737 3.960 -0.004 0.000 0.218 99 G C 1.603 176.073 174.900 -0.717 0.000 1.154 99 G CA 0.843 45.213 45.100 -1.216 0.000 0.767 99 G HN 0.386 nan 8.290 nan 0.000 0.552 100 R N 0.165 120.425 120.500 -0.401 0.000 2.081 100 R HA -0.051 4.287 4.340 -0.004 0.000 0.235 100 R C 2.245 178.411 176.300 -0.222 0.000 1.131 100 R CA 1.448 57.415 56.100 -0.223 0.000 0.960 100 R CB -0.236 29.974 30.300 -0.151 0.000 0.856 100 R HN 0.234 nan 8.270 nan 0.000 0.436 101 D N 0.405 120.642 120.400 -0.272 0.000 2.144 101 D HA -0.110 4.528 4.640 -0.004 0.000 0.199 101 D C 1.182 177.339 176.300 -0.239 0.000 0.984 101 D CA 1.121 54.986 54.000 -0.226 0.000 0.834 101 D CB 0.029 40.696 40.800 -0.221 0.000 0.955 101 D HN -0.040 nan 8.370 nan 0.000 0.465 102 K N 0.966 121.133 120.400 -0.388 0.000 2.476 102 K HA 0.067 4.385 4.320 -0.004 0.000 0.196 102 K C -0.027 176.503 176.600 -0.117 0.000 1.025 102 K CA -0.173 55.919 56.287 -0.326 0.000 1.138 102 K CB -0.280 31.883 32.500 -0.562 0.000 0.860 102 K HN 0.060 nan 8.250 nan 0.000 0.515 103 N N 1.014 119.658 118.700 -0.093 0.000 2.735 103 N HA -0.193 4.545 4.740 -0.004 0.000 0.248 103 N C -0.869 174.775 175.510 0.223 0.000 1.083 103 N CA 0.613 53.688 53.050 0.042 0.000 0.703 103 N CB -1.454 37.059 38.487 0.044 0.000 1.005 103 N HN 0.090 nan 8.380 nan 0.000 0.550 104 F N 1.144 121.076 119.950 -0.031 0.000 2.541 104 F HA 0.051 4.575 4.527 -0.004 0.000 0.378 104 F C 2.171 177.993 175.800 0.037 0.000 1.068 104 F CA -0.775 57.232 58.000 0.013 0.000 1.199 104 F CB 0.354 39.367 39.000 0.023 0.000 1.091 104 F HN 0.056 nan 8.300 nan 0.000 0.555 105 S N 0.113 115.937 115.700 0.208 0.000 2.453 105 S HA -0.135 4.333 4.470 -0.004 0.000 0.231 105 S C 1.617 176.299 174.600 0.136 0.000 1.005 105 S CA 0.954 59.233 58.200 0.133 0.000 0.949 105 S CB -0.882 62.369 63.200 0.086 0.000 0.774 105 S HN 0.679 nan 8.310 nan 0.000 0.510 106 T N 0.346 115.005 114.554 0.176 0.000 3.163 106 T HA 0.253 4.601 4.350 -0.004 0.000 0.260 106 T C 1.032 175.855 174.700 0.204 0.000 1.156 106 T CA 0.393 62.577 62.100 0.139 0.000 1.072 106 T CB -0.476 68.425 68.868 0.056 0.000 0.937 106 T HN 0.425 nan 8.240 nan 0.000 0.528 107 L N -0.056 121.312 121.223 0.240 0.000 3.066 107 L HA 0.357 4.694 4.340 -0.004 0.000 0.265 107 L C 2.324 179.259 176.870 0.108 0.000 1.232 107 L CA -0.153 54.807 54.840 0.200 0.000 1.031 107 L CB 0.093 42.261 42.059 0.183 0.000 1.379 107 L HN 0.173 nan 8.230 nan 0.000 0.563 108 Q N 0.282 120.139 119.800 0.095 0.000 2.123 108 Q HA -0.105 4.233 4.340 -0.004 0.000 0.196 108 Q C 1.769 177.796 176.000 0.045 0.000 0.958 108 Q CA 2.130 57.969 55.803 0.059 0.000 0.841 108 Q CB 0.471 29.244 28.738 0.058 0.000 0.915 108 Q HN 0.594 nan 8.270 nan 0.000 0.455 109 T N -4.403 110.187 114.554 0.060 0.000 3.177 109 T HA 0.252 4.600 4.350 -0.004 0.000 0.262 109 T C 0.050 174.809 174.700 0.099 0.000 0.959 109 T CA -0.011 62.128 62.100 0.065 0.000 0.996 109 T CB 0.785 69.707 68.868 0.089 0.000 1.185 109 T HN 0.023 nan 8.240 nan 0.000 0.486 110 V N 1.582 121.567 119.914 0.118 0.000 2.733 110 V HA 0.766 4.884 4.120 -0.004 0.000 0.306 110 V C -2.065 174.114 176.094 0.141 0.000 1.084 110 V CA -1.241 61.154 62.300 0.159 0.000 0.905 110 V CB 1.920 33.834 31.823 0.151 0.000 1.010 110 V HN 0.580 nan 8.190 nan 0.000 0.424 111 L N 7.711 129.039 121.223 0.176 0.000 2.280 111 L HA 0.704 5.042 4.340 -0.004 0.000 0.287 111 L C -0.532 176.448 176.870 0.184 0.000 1.023 111 L CA 0.180 55.133 54.840 0.189 0.000 0.819 111 L CB 0.933 43.132 42.059 0.232 0.000 1.212 111 L HN 0.772 nan 8.230 nan 0.000 0.420 112 C N 5.580 124.971 119.300 0.153 0.000 2.246 112 C HA 0.886 5.343 4.460 -0.004 0.000 0.329 112 C C 0.626 175.693 174.990 0.128 0.000 1.221 112 C CA -0.306 58.815 59.018 0.171 0.000 1.697 112 C CB -0.871 26.969 27.740 0.167 0.000 2.312 112 C HN 0.968 nan 8.230 nan 0.000 0.509 113 A N 3.228 126.101 122.820 0.088 0.000 2.527 113 A HA 0.912 5.230 4.320 -0.004 0.000 0.293 113 A C -0.325 177.256 177.584 -0.005 0.000 1.117 113 A CA -0.304 51.773 52.037 0.066 0.000 0.723 113 A CB 1.645 20.694 19.000 0.083 0.000 1.313 113 A HN 0.641 nan 8.150 nan 0.000 0.411 114 T N -1.037 113.521 114.554 0.007 0.000 2.804 114 T HA 0.784 5.132 4.350 -0.004 0.000 0.272 114 T C 0.214 174.896 174.700 -0.030 0.000 0.986 114 T CA 0.766 62.851 62.100 -0.025 0.000 0.999 114 T CB 1.159 70.035 68.868 0.013 0.000 1.307 114 T HN 2.709 nan 8.240 nan 0.000 0.586 115 G N -0.862 107.922 108.800 -0.027 0.000 2.675 115 G HA2 0.163 4.121 3.960 -0.004 0.000 0.686 115 G HA3 0.163 4.121 3.960 -0.004 0.000 0.686 115 G C 0.668 175.560 174.900 -0.015 0.000 1.215 115 G CA 0.012 45.102 45.100 -0.015 0.000 0.777 115 G HN 1.203 nan 8.290 nan 0.000 0.638 116 G N -0.428 108.380 108.800 0.012 0.000 2.534 116 G HA2 0.350 4.308 3.960 -0.004 0.000 0.217 116 G HA3 0.350 4.308 3.960 -0.004 0.000 0.217 116 G C 1.549 176.490 174.900 0.068 0.000 1.128 116 G CA 1.442 46.566 45.100 0.039 0.000 0.784 116 G HN 1.819 nan 8.290 nan 0.000 0.542 117 G N 0.079 108.921 108.800 0.071 0.000 3.042 117 G HA2 0.335 4.293 3.960 -0.004 0.000 0.212 117 G HA3 0.335 4.293 3.960 -0.004 0.000 0.212 117 G C 1.651 176.665 174.900 0.190 0.000 1.166 117 G CA 1.034 46.217 45.100 0.139 0.000 0.767 117 G HN 0.455 nan 8.290 nan 0.000 0.546 118 A N 0.574 123.443 122.820 0.081 0.000 1.877 118 A HA -0.042 4.275 4.320 -0.004 0.000 0.216 118 A C 2.006 179.660 177.584 0.115 0.000 1.186 118 A CA 1.126 53.190 52.037 0.045 0.000 0.620 118 A CB -0.662 18.255 19.000 -0.138 0.000 0.822 118 A HN 0.458 nan 8.150 nan 0.000 0.443 119 Y N -0.530 119.843 120.300 0.121 0.000 2.293 119 Y HA -0.207 4.341 4.550 -0.003 0.000 0.291 119 Y C 2.471 178.419 175.900 0.080 0.000 1.137 119 Y CA 1.374 59.530 58.100 0.093 0.000 1.202 119 Y CB 0.020 38.514 38.460 0.057 0.000 0.990 119 Y HN 0.309 nan 8.280 nan 0.000 0.537 120 K N 0.309 120.842 120.400 0.222 0.000 2.152 120 K HA -0.171 4.147 4.320 -0.004 0.000 0.206 120 K C 1.190 177.742 176.600 -0.081 0.000 1.048 120 K CA 1.604 57.917 56.287 0.044 0.000 0.933 120 K CB -0.490 32.003 32.500 -0.011 0.000 0.721 120 K HN 0.218 nan 8.250 nan 0.000 0.447 121 F N 0.425 120.442 119.950 0.112 0.000 2.743 121 F HA 0.168 4.693 4.527 -0.003 0.000 0.297 121 F C 2.076 177.946 175.800 0.116 0.000 1.131 121 F CA 0.412 58.476 58.000 0.106 0.000 1.426 121 F CB 0.106 39.169 39.000 0.106 0.000 1.116 121 F HN 0.185 nan 8.300 nan 0.000 0.583 122 E N 1.409 121.770 120.200 0.268 0.000 2.017 122 E HA -0.126 4.222 4.350 -0.004 0.000 0.193 122 E C 1.820 178.504 176.600 0.140 0.000 0.997 122 E CA 1.193 57.724 56.400 0.217 0.000 0.804 122 E CB -0.038 29.821 29.700 0.264 0.000 0.757 122 E HN 0.245 nan 8.360 nan 0.000 0.448 129 G N -0.202 108.613 108.800 0.026 0.000 2.658 129 G HA2 0.441 4.398 3.960 -0.004 0.000 0.301 129 G HA3 0.441 4.398 3.960 -0.004 0.000 0.301 129 G C -0.596 174.300 174.900 -0.006 0.000 1.481 129 G CA -0.114 44.995 45.100 0.016 0.000 0.931 129 G HN 0.362 nan 8.290 nan 0.000 0.573 130 N N 0.138 118.819 118.700 -0.032 0.000 2.652 130 N HA 0.208 4.946 4.740 -0.004 0.000 0.259 130 N C -0.301 175.118 175.510 -0.152 0.000 1.240 130 N CA -0.250 52.747 53.050 -0.088 0.000 0.951 130 N CB 0.286 38.731 38.487 -0.069 0.000 1.281 130 N HN 0.165 nan 8.380 nan 0.000 0.507 131 L N 1.159 122.315 121.223 -0.111 0.000 2.329 131 L HA 0.300 4.638 4.340 -0.004 0.000 0.279 131 L C -0.313 176.489 176.870 -0.113 0.000 1.014 131 L CA -0.986 53.797 54.840 -0.095 0.000 0.814 131 L CB 0.830 42.909 42.059 0.032 0.000 1.257 131 L HN 0.261 nan 8.230 nan 0.000 0.424 132 H N 4.046 123.176 119.070 0.100 0.000 2.548 132 H HA 0.297 4.851 4.556 -0.004 0.000 0.331 132 H C -0.608 174.803 175.328 0.139 0.000 1.093 132 H CA -0.604 55.513 56.048 0.113 0.000 1.367 132 H CB 1.789 31.612 29.762 0.101 0.000 1.455 132 H HN 0.406 nan 8.280 nan 0.000 0.519 133 L N 3.652 125.041 121.223 0.278 0.000 2.265 133 L HA 0.136 4.474 4.340 -0.004 0.000 0.288 133 L C -0.186 176.823 176.870 0.231 0.000 1.058 133 L CA -0.424 54.550 54.840 0.224 0.000 0.809 133 L CB 0.195 42.369 42.059 0.193 0.000 1.179 133 L HN 0.575 nan 8.230 nan 0.000 0.429 134 H N 3.514 122.648 119.070 0.107 0.000 2.685 134 H HA 0.362 4.916 4.556 -0.004 0.000 0.286 134 H C -0.583 174.765 175.328 0.033 0.000 1.102 134 H CA -0.723 55.370 56.048 0.075 0.000 1.254 134 H CB 0.538 30.335 29.762 0.058 0.000 1.397 134 H HN 0.547 nan 8.280 nan 0.000 0.473 135 K N 5.154 125.367 120.400 -0.312 0.000 2.339 135 K HA 0.240 4.558 4.320 -0.004 0.000 0.286 135 K C -1.193 175.193 176.600 -0.356 0.000 1.050 135 K CA -0.182 55.903 56.287 -0.336 0.000 0.956 135 K CB 0.135 32.360 32.500 -0.458 0.000 0.990 135 K HN 0.600 nan 8.250 nan 0.000 0.475 136 L N 2.907 124.014 121.223 -0.194 0.000 2.344 136 L HA 0.372 4.710 4.340 -0.004 0.000 0.272 136 L C -0.046 176.793 176.870 -0.052 0.000 1.035 136 L CA -1.180 53.601 54.840 -0.099 0.000 0.807 136 L CB 1.534 43.594 42.059 0.002 0.000 1.237 136 L HN 0.704 nan 8.230 nan 0.000 0.442 137 D N 0.233 120.628 120.400 -0.007 0.000 2.351 137 D HA -0.006 4.632 4.640 -0.004 0.000 0.251 137 D C 0.893 177.213 176.300 0.034 0.000 1.137 137 D CA -0.137 53.874 54.000 0.018 0.000 0.879 137 D CB 1.253 42.079 40.800 0.043 0.000 1.181 137 D HN 0.576 nan 8.370 nan 0.000 0.448 138 E N 2.977 123.195 120.200 0.030 0.000 2.110 138 E HA -0.148 4.200 4.350 -0.004 0.000 0.193 138 E C 1.525 178.155 176.600 0.050 0.000 0.988 138 E CA 1.417 57.840 56.400 0.039 0.000 0.804 138 E CB -0.063 29.656 29.700 0.032 0.000 0.745 138 E HN 0.690 nan 8.360 nan 0.000 0.458 139 L N 0.384 121.639 121.223 0.054 0.000 2.109 139 L HA -0.109 4.229 4.340 -0.004 0.000 0.207 139 L C 1.952 178.853 176.870 0.051 0.000 1.086 139 L CA 1.091 55.962 54.840 0.051 0.000 0.760 139 L CB -0.482 41.617 42.059 0.067 0.000 0.910 139 L HN 0.133 nan 8.230 nan 0.000 0.437 140 D N -0.044 120.421 120.400 0.109 0.000 2.123 140 D HA -0.185 4.453 4.640 -0.004 0.000 0.196 140 D C 2.274 178.609 176.300 0.058 0.000 0.992 140 D CA 1.444 55.528 54.000 0.141 0.000 0.833 140 D CB -0.250 40.656 40.800 0.176 0.000 0.954 140 D HN 0.374 nan 8.370 nan 0.000 0.455 141 C N 0.596 119.933 119.300 0.062 0.000 2.432 141 C HA -0.103 4.355 4.460 -0.004 0.000 0.277 141 C C 2.715 177.743 174.990 0.063 0.000 1.249 141 C CA -0.009 59.050 59.018 0.069 0.000 1.725 141 C CB -1.045 26.744 27.740 0.082 0.000 2.028 141 C HN 0.331 nan 8.230 nan 0.000 0.477 142 L N 1.209 122.465 121.223 0.054 0.000 1.978 142 L HA -0.164 4.174 4.340 -0.004 0.000 0.218 142 L C 2.489 179.298 176.870 -0.101 0.000 1.075 142 L CA 2.195 57.063 54.840 0.046 0.000 0.767 142 L CB -0.975 41.107 42.059 0.039 0.000 0.890 142 L HN 0.224 nan 8.230 nan 0.000 0.434 143 V N -0.514 119.284 119.914 -0.195 0.000 2.261 143 V HA -0.305 3.813 4.120 -0.004 0.000 0.246 143 V C 2.700 178.646 176.094 -0.247 0.000 1.047 143 V CA 2.147 64.240 62.300 -0.345 0.000 1.015 143 V CB -0.701 30.694 31.823 -0.713 0.000 0.642 143 V HN 0.406 nan 8.190 nan 0.000 0.446 144 K N 0.818 121.133 120.400 -0.141 0.000 2.044 144 K HA -0.130 4.187 4.320 -0.004 0.000 0.210 144 K C 2.121 178.722 176.600 0.002 0.000 1.049 144 K CA 1.661 57.927 56.287 -0.036 0.000 0.927 144 K CB -1.254 31.259 32.500 0.021 0.000 0.713 144 K HN 0.511 nan 8.250 nan 0.000 0.443 145 G N 0.701 109.519 108.800 0.029 0.000 2.433 145 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.216 145 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.216 145 G C 1.529 176.426 174.900 -0.005 0.000 1.186 145 G CA 0.854 46.045 45.100 0.152 0.000 0.779 145 G HN 0.298 nan 8.290 nan 0.000 0.543 146 L N -0.010 120.913 121.223 -0.501 0.000 2.013 146 L HA -0.067 4.271 4.340 -0.004 0.000 0.212 146 L C 2.856 179.448 176.870 -0.464 0.000 1.073 146 L CA 1.303 55.502 54.840 -1.070 0.000 0.753 146 L CB -0.185 41.286 42.059 -0.980 0.000 0.890 146 L HN 0.230 nan 8.230 nan 0.000 0.432 147 L N -1.631 119.432 121.223 -0.267 0.000 2.056 147 L HA -0.247 4.091 4.340 -0.004 0.000 0.207 147 L C 2.520 179.349 176.870 -0.069 0.000 1.078 147 L CA 1.367 56.115 54.840 -0.154 0.000 0.749 147 L CB -0.784 41.242 42.059 -0.055 0.000 0.901 147 L HN 0.336 nan 8.230 nan 0.000 0.433 148 Y N 0.832 121.071 120.300 -0.103 0.000 2.097 148 Y HA -0.282 4.266 4.550 -0.003 0.000 0.282 148 Y C 2.501 178.367 175.900 -0.058 0.000 1.152 148 Y CA 1.605 59.660 58.100 -0.074 0.000 1.136 148 Y CB -0.071 38.346 38.460 -0.072 0.000 0.975 148 Y HN -0.043 nan 8.280 nan 0.000 0.498 149 I N 0.647 121.171 120.570 -0.078 0.000 2.286 149 I HA -0.274 3.894 4.170 -0.004 0.000 0.248 149 I C 2.100 178.105 176.117 -0.187 0.000 1.115 149 I CA 2.055 63.267 61.300 -0.147 0.000 1.392 149 I CB -1.473 36.598 38.000 0.119 0.000 1.065 149 I HN 0.364 nan 8.210 nan 0.000 0.418 150 D N 0.773 121.084 120.400 -0.150 0.000 2.219 150 D HA -0.160 4.478 4.640 -0.004 0.000 0.205 150 D C 2.242 178.452 176.300 -0.150 0.000 0.970 150 D CA 1.361 55.286 54.000 -0.124 0.000 0.851 150 D CB 0.193 40.909 40.800 -0.140 0.000 0.943 150 D HN 0.320 nan 8.370 nan 0.000 0.488 151 S N -0.721 114.850 115.700 -0.214 0.000 2.481 151 S HA -0.092 4.376 4.470 -0.004 0.000 0.231 151 S C 1.882 176.356 174.600 -0.210 0.000 0.996 151 S CA 0.961 59.044 58.200 -0.194 0.000 0.942 151 S CB -0.156 62.936 63.200 -0.180 0.000 0.768 151 S HN 0.255 nan 8.310 nan 0.000 0.520 152 V N -3.074 116.668 119.914 -0.287 0.000 3.661 152 V HA 0.383 4.500 4.120 -0.004 0.000 0.271 152 V C 0.539 176.579 176.094 -0.091 0.000 1.315 152 V CA -0.190 61.978 62.300 -0.221 0.000 1.072 152 V CB -1.236 30.383 31.823 -0.340 0.000 0.830 152 V HN 0.443 nan 8.190 nan 0.000 0.443 153 S N -0.444 115.218 115.700 -0.063 0.000 3.859 153 S HA -0.193 4.275 4.470 -0.004 0.000 0.678 153 S C -0.564 174.112 174.600 0.128 0.000 1.658 153 S CA 0.426 58.652 58.200 0.044 0.000 1.761 153 S CB -1.018 62.219 63.200 0.060 0.000 0.350 153 S HN 0.811 nan 8.310 nan 0.000 1.312 158 A N 1.860 124.760 122.820 0.134 0.000 2.409 158 A HA 0.248 4.566 4.320 -0.004 0.000 0.267 158 A C 0.505 178.275 177.584 0.311 0.000 1.127 158 A CA 0.302 52.454 52.037 0.192 0.000 0.795 158 A CB 0.783 19.886 19.000 0.172 0.000 1.061 158 A HN 0.817 nan 8.150 nan 0.000 0.502 159 E N 1.597 121.974 120.200 0.295 0.000 2.152 159 E HA -0.082 4.266 4.350 -0.004 0.000 0.192 159 E C 0.374 177.174 176.600 0.333 0.000 0.983 159 E CA 0.945 57.542 56.400 0.329 0.000 0.818 159 E CB -0.010 29.817 29.700 0.212 0.000 0.758 159 E HN 0.614 nan 8.360 nan 0.000 0.467 160 C N 1.064 120.536 119.300 0.287 0.000 2.341 160 C HA 0.696 5.154 4.460 -0.004 0.000 0.338 160 C C -0.988 174.229 174.990 0.378 0.000 1.257 160 C CA -0.588 58.587 59.018 0.262 0.000 1.883 160 C CB -0.821 27.061 27.740 0.236 0.000 2.334 160 C HN 0.422 nan 8.230 nan 0.000 0.524 161 Y N 3.757 124.195 120.300 0.229 0.000 2.615 161 Y HA 0.797 5.345 4.550 -0.003 0.000 0.341 161 Y C -0.973 175.076 175.900 0.248 0.000 1.089 161 Y CA -1.346 56.873 58.100 0.199 0.000 1.049 161 Y CB 0.726 39.192 38.460 0.011 0.000 1.296 161 Y HN 0.782 nan 8.280 nan 0.000 0.470 162 Y N -0.924 119.484 120.300 0.181 0.000 2.669 162 Y HA 0.804 5.352 4.550 -0.004 0.000 0.335 162 Y C -2.069 173.843 175.900 0.019 0.000 1.116 162 Y CA -2.520 55.656 58.100 0.126 0.000 1.081 162 Y CB 1.536 40.039 38.460 0.072 0.000 1.297 162 Y HN 0.501 nan 8.280 nan 0.000 0.484 163 F N 2.002 122.107 119.950 0.259 0.000 2.361 163 F HA 0.698 5.223 4.527 -0.003 0.000 0.364 163 F C 0.562 176.396 175.800 0.056 0.000 1.120 163 F CA -0.642 57.392 58.000 0.056 0.000 1.102 163 F CB 1.209 40.283 39.000 0.123 0.000 1.183 163 F HN 0.775 nan 8.300 nan 0.000 0.476 164 A N 3.232 126.037 122.820 -0.026 0.000 2.386 164 A HA 0.204 4.522 4.320 -0.004 0.000 0.248 164 A C 0.950 178.638 177.584 0.173 0.000 1.082 164 A CA -0.151 51.967 52.037 0.135 0.000 0.789 164 A CB -0.072 18.941 19.000 0.021 0.000 1.025 164 A HN 1.023 nan 8.150 nan 0.000 0.490 165 N N -0.328 118.478 118.700 0.177 0.000 2.756 165 N HA -0.216 4.522 4.740 -0.004 0.000 0.248 165 N C 0.871 176.464 175.510 0.139 0.000 1.062 165 N CA 0.380 53.507 53.050 0.128 0.000 0.696 165 N CB -0.819 37.718 38.487 0.083 0.000 0.946 165 N HN 0.977 nan 8.380 nan 0.000 0.548 166 A N 0.045 122.976 122.820 0.186 0.000 2.067 166 A HA -0.089 4.229 4.320 -0.004 0.000 0.219 166 A C 2.044 179.751 177.584 0.205 0.000 1.158 166 A CA 1.623 53.781 52.037 0.201 0.000 0.661 166 A CB -0.440 18.707 19.000 0.245 0.000 0.801 166 A HN 0.816 nan 8.150 nan 0.000 0.452 167 S N -0.444 115.348 115.700 0.153 0.000 2.547 167 S HA -0.037 4.431 4.470 -0.004 0.000 0.235 167 S C 0.407 175.133 174.600 0.210 0.000 0.980 167 S CA 0.729 59.039 58.200 0.184 0.000 0.941 167 S CB -0.186 63.050 63.200 0.060 0.000 0.763 167 S HN 0.610 nan 8.310 nan 0.000 0.532 168 E N 1.413 121.676 120.200 0.104 0.000 2.593 168 E HA 0.249 4.596 4.350 -0.004 0.000 0.232 168 E C -2.355 174.219 176.600 -0.044 0.000 1.026 168 E CA -2.201 54.194 56.400 -0.008 0.000 0.772 168 E CB 1.595 31.282 29.700 -0.022 0.000 1.310 168 E HN 0.185 nan 8.360 nan 0.000 0.413 169 P HA -0.202 nan 4.420 nan 0.000 0.218 169 P C 0.887 178.087 177.300 -0.167 0.000 1.148 169 P CA 1.085 64.082 63.100 -0.172 0.000 0.822 169 P CB 0.378 31.916 31.700 -0.270 0.000 0.784 170 E N -0.806 119.308 120.200 -0.144 0.000 2.358 170 E HA -0.035 4.313 4.350 -0.004 0.000 0.195 170 E C 1.478 178.026 176.600 -0.085 0.000 1.010 170 E CA 0.720 57.049 56.400 -0.119 0.000 0.856 170 E CB -0.166 29.468 29.700 -0.111 0.000 0.795 170 E HN 0.405 nan 8.360 nan 0.000 0.504 171 R N 0.083 120.543 120.500 -0.067 0.000 2.509 171 R HA 0.155 4.493 4.340 -0.004 0.000 0.297 171 R C 0.660 176.956 176.300 -0.005 0.000 0.951 171 R CA -0.033 56.046 56.100 -0.035 0.000 1.103 171 R CB 0.283 30.566 30.300 -0.030 0.000 1.283 171 R HN 0.104 nan 8.270 nan 0.000 0.534 172 C N 0.957 120.255 119.300 -0.004 0.000 2.676 172 C HA 0.348 4.806 4.460 -0.004 0.000 0.416 172 C C 0.089 175.161 174.990 0.136 0.000 1.299 172 C CA -0.771 58.289 59.018 0.069 0.000 2.048 172 C CB 0.268 28.047 27.740 0.064 0.000 2.713 172 C HN 0.314 nan 8.230 nan 0.000 0.624 173 Q N 1.202 121.099 119.800 0.162 0.000 2.331 173 Q HA 0.393 4.731 4.340 -0.004 0.000 0.267 173 Q C -0.490 175.534 176.000 0.041 0.000 1.006 173 Q CA -0.344 55.518 55.803 0.098 0.000 0.818 173 Q CB 1.730 30.474 28.738 0.010 0.000 1.276 173 Q HN 0.795 nan 8.270 nan 0.000 0.450 174 K N 2.962 123.336 120.400 -0.043 0.000 2.451 174 K HA 0.161 4.479 4.320 -0.004 0.000 0.280 174 K C -0.745 175.663 176.600 -0.321 0.000 1.020 174 K CA 0.488 56.536 56.287 -0.397 0.000 1.008 174 K CB 0.444 32.673 32.500 -0.451 0.000 0.917 174 K HN 0.508 nan 8.250 nan 0.000 0.478 175 M N 5.061 124.424 119.600 -0.396 0.000 2.484 175 M HA 0.361 4.838 4.480 -0.004 0.000 0.289 175 M C -2.553 173.717 176.300 -0.050 0.000 1.206 175 M CA -2.574 52.551 55.300 -0.291 0.000 0.892 175 M CB 1.782 34.072 32.600 -0.517 0.000 1.712 175 M HN 0.494 nan 8.290 nan 0.000 0.462 176 P HA 0.333 nan 4.420 nan 0.000 0.275 176 P C -1.294 176.254 177.300 0.412 0.000 1.228 176 P CA -0.007 63.230 63.100 0.228 0.000 0.786 176 P CB 0.587 32.361 31.700 0.124 0.000 0.927 177 F N 2.179 122.274 119.950 0.242 0.000 2.547 177 F HA 0.347 4.872 4.527 -0.003 0.000 0.316 177 F C -0.069 175.785 175.800 0.090 0.000 1.121 177 F CA -1.021 57.091 58.000 0.187 0.000 0.911 177 F CB 1.523 40.636 39.000 0.188 0.000 1.179 177 F HN 0.141 nan 8.300 nan 0.000 0.443 178 N N 5.598 124.040 118.700 -0.431 0.000 2.405 178 N HA 0.133 4.871 4.740 -0.004 0.000 0.260 178 N C -0.743 174.644 175.510 -0.204 0.000 1.152 178 N CA 0.187 53.077 53.050 -0.266 0.000 0.948 178 N CB 0.829 39.148 38.487 -0.281 0.000 1.111 178 N HN 0.791 nan 8.380 nan 0.000 0.485 179 L N 3.659 124.887 121.223 0.008 0.000 3.209 179 L HA 0.342 4.680 4.340 -0.004 0.000 0.279 179 L C 0.812 177.657 176.870 -0.040 0.000 1.301 179 L CA -0.080 54.789 54.840 0.050 0.000 1.004 179 L CB 0.252 42.383 42.059 0.121 0.000 1.402 179 L HN 0.427 nan 8.230 nan 0.000 0.577 180 D N 0.110 120.476 120.400 -0.057 0.000 2.104 180 D HA -0.165 4.473 4.640 -0.004 0.000 0.194 180 D C 0.500 176.750 176.300 -0.082 0.000 0.994 180 D CA 1.390 55.352 54.000 -0.063 0.000 0.830 180 D CB 0.217 40.986 40.800 -0.052 0.000 0.959 180 D HN 0.377 nan 8.370 nan 0.000 0.452 181 D N -0.449 119.904 120.400 -0.078 0.000 2.443 181 D HA 0.114 4.752 4.640 -0.004 0.000 0.221 181 D C -1.861 174.342 176.300 -0.161 0.000 1.097 181 D CA -2.041 51.907 54.000 -0.087 0.000 0.865 181 D CB 1.584 42.373 40.800 -0.019 0.000 1.034 181 D HN -0.047 nan 8.370 nan 0.000 0.511 182 P HA -0.009 nan 4.420 nan 0.000 0.227 182 P C -0.217 176.846 177.300 -0.396 0.000 1.161 182 P CA 0.366 63.207 63.100 -0.431 0.000 0.788 182 P CB 0.005 31.343 31.700 -0.604 0.000 0.822 183 Y N 2.065 122.351 120.300 -0.023 0.000 2.304 183 Y HA 0.360 4.908 4.550 -0.003 0.000 0.328 183 Y C -1.493 174.403 175.900 -0.007 0.000 1.123 183 Y CA -2.793 55.294 58.100 -0.021 0.000 1.218 183 Y CB -0.277 38.185 38.460 0.003 0.000 1.207 183 Y HN -0.024 nan 8.280 nan 0.000 0.495 184 P HA 0.393 nan 4.420 nan 0.000 0.278 184 P C -1.463 175.818 177.300 -0.031 0.000 1.258 184 P CA -0.476 62.666 63.100 0.071 0.000 0.811 184 P CB 1.913 33.626 31.700 0.022 0.000 1.063 185 L N 0.868 122.035 121.223 -0.093 0.000 2.445 185 L HA 0.502 4.840 4.340 -0.004 0.000 0.262 185 L C -1.637 175.129 176.870 -0.173 0.000 0.974 185 L CA -0.925 53.832 54.840 -0.138 0.000 0.822 185 L CB 1.989 43.952 42.059 -0.160 0.000 1.339 185 L HN 0.150 nan 8.230 nan 0.000 0.409 186 L N 4.674 125.780 121.223 -0.195 0.000 2.296 186 L HA 0.688 5.026 4.340 -0.004 0.000 0.286 186 L C -1.012 175.695 176.870 -0.272 0.000 1.023 186 L CA -0.212 54.499 54.840 -0.216 0.000 0.812 186 L CB 1.711 43.642 42.059 -0.214 0.000 1.223 186 L HN 0.404 nan 8.230 nan 0.000 0.421 187 V N 5.880 125.652 119.914 -0.237 0.000 2.357 187 V HA 0.410 4.528 4.120 -0.004 0.000 0.284 187 V C -0.383 175.567 176.094 -0.240 0.000 1.018 187 V CA -0.733 61.418 62.300 -0.248 0.000 0.841 187 V CB 1.687 33.395 31.823 -0.191 0.000 0.991 187 V HN 0.432 nan 8.190 nan 0.000 0.437 188 V N 4.566 124.277 119.914 -0.338 0.000 2.311 188 V HA 0.362 4.480 4.120 -0.004 0.000 0.275 188 V C 0.069 176.122 176.094 -0.069 0.000 1.022 188 V CA -0.544 61.602 62.300 -0.257 0.000 0.830 188 V CB 1.304 32.827 31.823 -0.500 0.000 1.012 188 V HN 0.870 nan 8.190 nan 0.000 0.452 189 N N 5.548 124.241 118.700 -0.013 0.000 2.485 189 N HA 0.438 5.176 4.740 -0.004 0.000 0.243 189 N C -0.823 174.727 175.510 0.067 0.000 0.987 189 N CA -0.340 52.738 53.050 0.048 0.000 0.940 189 N CB 0.774 39.275 38.487 0.024 0.000 1.122 189 N HN 0.613 nan 8.380 nan 0.000 0.509 190 I N 2.830 123.477 120.570 0.127 0.000 2.306 190 I HA 0.450 4.618 4.170 -0.004 0.000 0.288 190 I C 1.128 177.299 176.117 0.090 0.000 1.036 190 I CA -0.500 60.849 61.300 0.081 0.000 1.221 190 I CB 1.351 39.410 38.000 0.098 0.000 1.385 190 I HN 0.540 nan 8.210 nan 0.000 0.472 191 G N 2.720 111.532 108.800 0.020 0.000 3.341 191 G HA2 0.167 4.125 3.960 -0.004 0.000 0.177 191 G HA3 0.167 4.125 3.960 -0.004 0.000 0.177 191 G C 0.988 175.861 174.900 -0.045 0.000 1.236 191 G CA 0.445 45.549 45.100 0.007 0.000 0.888 191 G HN 0.495 nan 8.290 nan 0.000 0.644 192 S N -0.834 114.842 115.700 -0.040 0.000 2.382 192 S HA 0.234 4.701 4.470 -0.004 0.000 0.228 192 S C 1.276 175.844 174.600 -0.053 0.000 1.027 192 S CA 1.385 59.557 58.200 -0.048 0.000 0.991 192 S CB -0.539 62.644 63.200 -0.029 0.000 0.823 192 S HN 1.033 nan 8.310 nan 0.000 0.469 193 G N -0.250 108.524 108.800 -0.043 0.000 3.175 193 G HA2 0.630 4.588 3.960 -0.004 0.000 0.255 193 G HA3 0.630 4.588 3.960 -0.004 0.000 0.255 193 G C -1.579 173.294 174.900 -0.045 0.000 1.352 193 G CA -0.588 44.486 45.100 -0.044 0.000 1.037 193 G HN 0.336 nan 8.290 nan 0.000 0.556 194 V N 0.058 119.951 119.914 -0.035 0.000 2.588 194 V HA 0.641 4.759 4.120 -0.004 0.000 0.304 194 V C -0.271 175.814 176.094 -0.015 0.000 1.042 194 V CA -0.651 61.634 62.300 -0.025 0.000 0.877 194 V CB 1.590 33.397 31.823 -0.027 0.000 0.996 194 V HN 0.627 nan 8.190 nan 0.000 0.425 195 S N 4.738 120.432 115.700 -0.010 0.000 2.482 195 S HA 0.737 5.204 4.470 -0.004 0.000 0.303 195 S C -0.594 173.990 174.600 -0.028 0.000 1.091 195 S CA -0.436 57.757 58.200 -0.011 0.000 1.057 195 S CB 1.185 64.386 63.200 0.002 0.000 1.031 195 S HN 0.548 nan 8.310 nan 0.000 0.485 196 I N 4.074 124.623 120.570 -0.035 0.000 2.406 196 I HA 0.434 4.602 4.170 -0.004 0.000 0.290 196 I C -0.867 175.223 176.117 -0.044 0.000 0.999 196 I CA -0.526 60.736 61.300 -0.063 0.000 1.124 196 I CB 1.247 39.204 38.000 -0.072 0.000 1.289 196 I HN 0.283 nan 8.210 nan 0.000 0.441 197 L N 5.575 126.762 121.223 -0.061 0.000 2.346 197 L HA 0.725 5.063 4.340 -0.004 0.000 0.276 197 L C 0.014 176.847 176.870 -0.063 0.000 1.006 197 L CA -0.767 54.059 54.840 -0.024 0.000 0.817 197 L CB 2.000 44.048 42.059 -0.018 0.000 1.272 197 L HN 0.631 nan 8.230 nan 0.000 0.421 198 A N 3.481 126.280 122.820 -0.036 0.000 2.271 198 A HA 0.680 4.998 4.320 -0.004 0.000 0.317 198 A C -0.578 176.911 177.584 -0.159 0.000 1.245 198 A CA -0.437 51.518 52.037 -0.137 0.000 0.857 198 A CB 1.054 19.989 19.000 -0.108 0.000 1.175 198 A HN 0.412 nan 8.150 nan 0.000 0.512 199 V N 4.574 124.357 119.914 -0.219 0.000 2.334 199 V HA 0.283 4.401 4.120 -0.004 0.000 0.281 199 V C 0.471 176.494 176.094 -0.119 0.000 1.016 199 V CA -0.403 61.862 62.300 -0.058 0.000 0.832 199 V CB 0.659 32.477 31.823 -0.008 0.000 0.999 199 V HN 1.036 nan 8.190 nan 0.000 0.439 200 H N 2.324 121.465 119.070 0.120 0.000 2.516 200 H HA 0.240 4.794 4.556 -0.004 0.000 0.284 200 H C 1.007 176.222 175.328 -0.189 0.000 0.999 200 H CA 0.935 57.003 56.048 0.034 0.000 1.303 200 H CB 1.278 31.037 29.762 -0.006 0.000 1.452 200 H HN 0.701 nan 8.280 nan 0.000 0.530 201 S N -0.830 114.725 115.700 -0.242 0.000 2.727 201 S HA 0.203 4.671 4.470 -0.004 0.000 0.278 201 S C 0.734 175.093 174.600 -0.401 0.000 1.186 201 S CA -0.891 56.812 58.200 -0.829 0.000 0.836 201 S CB 2.898 65.841 63.200 -0.430 0.000 1.186 201 S HN 0.056 nan 8.310 nan 0.000 0.499 202 K N 0.028 120.236 120.400 -0.320 0.000 2.103 202 K HA -0.108 4.209 4.320 -0.004 0.000 0.207 202 K C -0.070 176.621 176.600 0.152 0.000 1.048 202 K CA 2.016 58.329 56.287 0.043 0.000 0.930 202 K CB -0.303 32.230 32.500 0.055 0.000 0.716 202 K HN 0.638 nan 8.250 nan 0.000 0.444 203 D N -0.328 120.122 120.400 0.084 0.000 2.535 203 D HA 0.020 4.658 4.640 -0.004 0.000 0.229 203 D C -0.623 175.680 176.300 0.004 0.000 1.238 203 D CA 0.002 54.051 54.000 0.083 0.000 0.824 203 D CB 0.367 41.176 40.800 0.015 0.000 1.045 203 D HN 0.051 nan 8.370 nan 0.000 0.500 204 N N 1.442 120.185 118.700 0.070 0.000 2.648 204 N HA 0.130 4.867 4.740 -0.004 0.000 0.261 204 N C -1.689 173.941 175.510 0.201 0.000 1.138 204 N CA -0.461 52.606 53.050 0.028 0.000 0.804 204 N CB 0.320 38.815 38.487 0.013 0.000 1.237 204 N HN -0.009 nan 8.380 nan 0.000 0.532 205 Y N 0.072 120.406 120.300 0.057 0.000 2.571 205 Y HA 0.710 5.258 4.550 -0.003 0.000 0.341 205 Y C -1.241 174.687 175.900 0.046 0.000 1.076 205 Y CA -1.038 57.096 58.100 0.056 0.000 1.029 205 Y CB 1.339 39.806 38.460 0.011 0.000 1.308 205 Y HN -0.102 nan 8.280 nan 0.000 0.461 206 K N 1.712 122.216 120.400 0.174 0.000 2.498 206 K HA 0.361 4.679 4.320 -0.004 0.000 0.254 206 K C -1.465 175.195 176.600 0.101 0.000 0.933 206 K CA -0.952 55.383 56.287 0.081 0.000 0.806 206 K CB 2.924 35.461 32.500 0.063 0.000 1.301 206 K HN 0.909 nan 8.250 nan 0.000 0.432 207 R N 2.253 122.796 120.500 0.072 0.000 2.288 207 R HA 0.095 4.433 4.340 -0.004 0.000 0.330 207 R C 0.941 177.257 176.300 0.026 0.000 1.069 207 R CA -0.010 56.119 56.100 0.047 0.000 0.941 207 R CB 0.183 30.506 30.300 0.040 0.000 0.998 207 R HN 0.488 nan 8.270 nan 0.000 0.452 208 V N 0.599 120.522 119.914 0.015 0.000 2.725 208 V HA 0.166 4.283 4.120 -0.004 0.000 0.247 208 V C 0.904 176.996 176.094 -0.003 0.000 1.058 208 V CA 1.129 63.434 62.300 0.009 0.000 1.080 208 V CB 0.144 31.973 31.823 0.009 0.000 0.713 208 V HN 0.762 nan 8.190 nan 0.000 0.465 209 T N -2.178 112.370 114.554 -0.011 0.000 2.658 209 T HA 0.656 5.004 4.350 -0.004 0.000 0.306 209 T C -0.633 174.057 174.700 -0.018 0.000 1.544 209 T CA 0.203 62.294 62.100 -0.015 0.000 0.991 209 T CB 1.107 69.962 68.868 -0.022 0.000 1.774 209 T HN 1.047 nan 8.240 nan 0.000 0.479 210 G N -0.189 108.599 108.800 -0.019 0.000 2.488 210 G HA2 0.580 4.537 3.960 -0.004 0.000 0.301 210 G HA3 0.580 4.537 3.960 -0.004 0.000 0.301 210 G C -1.271 173.616 174.900 -0.021 0.000 1.339 210 G CA 0.375 45.463 45.100 -0.020 0.000 0.803 210 G HN 0.861 nan 8.290 nan 0.000 0.482 211 T N -1.785 112.757 114.554 -0.021 0.000 2.933 211 T HA 0.520 4.868 4.350 -0.004 0.000 0.305 211 T C 1.185 175.872 174.700 -0.021 0.000 1.092 211 T CA 0.643 62.731 62.100 -0.020 0.000 1.008 211 T CB 1.463 70.318 68.868 -0.021 0.000 1.102 211 T HN 1.502 nan 8.240 nan 0.000 0.469 212 S N 3.460 119.150 115.700 -0.016 0.000 2.603 212 S HA 0.185 4.652 4.470 -0.004 0.000 0.220 212 S C 0.537 175.127 174.600 -0.018 0.000 0.967 212 S CA -0.029 58.161 58.200 -0.016 0.000 0.920 212 S CB -0.558 62.636 63.200 -0.010 0.000 0.773 212 S HN 0.541 nan 8.310 nan 0.000 0.529 213 L N 2.620 123.833 121.223 -0.018 0.000 2.358 213 L HA 0.643 4.981 4.340 -0.004 0.000 0.274 213 L C 0.835 177.670 176.870 -0.060 0.000 1.136 213 L CA 0.105 54.937 54.840 -0.013 0.000 0.970 213 L CB 0.512 42.580 42.059 0.014 0.000 1.314 213 L HN 0.349 nan 8.230 nan 0.000 0.427 214 G N 0.080 108.828 108.800 -0.087 0.000 3.262 214 G HA2 0.465 4.423 3.960 -0.004 0.000 0.229 214 G HA3 0.465 4.423 3.960 -0.004 0.000 0.229 214 G C 0.836 175.592 174.900 -0.239 0.000 1.280 214 G CA -0.006 44.969 45.100 -0.207 0.000 0.951 214 G HN 0.382 nan 8.290 nan 0.000 0.589 215 G N -0.364 108.243 108.800 -0.321 0.000 2.432 215 G HA2 0.128 4.086 3.960 -0.004 0.000 0.219 215 G HA3 0.128 4.086 3.960 -0.004 0.000 0.219 215 G C 1.625 176.555 174.900 0.049 0.000 1.135 215 G CA 1.644 46.672 45.100 -0.119 0.000 0.767 215 G HN 0.972 nan 8.290 nan 0.000 0.550 216 G N 0.124 108.912 108.800 -0.021 0.000 2.422 216 G HA2 -0.068 3.890 3.960 -0.004 0.000 0.218 216 G HA3 -0.068 3.890 3.960 -0.004 0.000 0.218 216 G C 1.786 176.703 174.900 0.028 0.000 1.140 216 G CA 1.597 46.696 45.100 -0.003 0.000 0.775 216 G HN 0.379 nan 8.290 nan 0.000 0.545 217 T N 0.849 115.429 114.554 0.042 0.000 2.812 217 T HA -0.077 4.271 4.350 -0.004 0.000 0.264 217 T C 1.906 176.687 174.700 0.135 0.000 1.042 217 T CA 0.933 63.072 62.100 0.063 0.000 1.140 217 T CB -0.257 68.644 68.868 0.055 0.000 0.870 217 T HN 0.249 nan 8.240 nan 0.000 0.445 218 F N 2.149 122.147 119.950 0.080 0.000 2.069 218 F HA -0.047 4.478 4.527 -0.003 0.000 0.298 218 F C 1.954 177.867 175.800 0.187 0.000 1.113 218 F CA 0.867 58.977 58.000 0.184 0.000 1.214 218 F CB -0.750 38.454 39.000 0.340 0.000 0.978 218 F HN 0.039 nan 8.300 nan 0.000 0.474 219 L N 0.909 122.090 121.223 -0.071 0.000 2.056 219 L HA 0.120 4.458 4.340 -0.004 0.000 0.207 219 L C 2.510 179.300 176.870 -0.133 0.000 1.078 219 L CA 2.127 56.858 54.840 -0.181 0.000 0.749 219 L CB -1.684 40.397 42.059 0.036 0.000 0.901 219 L HN 0.259 nan 8.230 nan 0.000 0.433 220 G N -0.201 108.565 108.800 -0.056 0.000 2.491 220 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.218 220 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.218 220 G C 1.647 176.510 174.900 -0.061 0.000 1.180 220 G CA 1.310 46.384 45.100 -0.044 0.000 0.774 220 G HN 0.432 nan 8.290 nan 0.000 0.562 221 L N -0.272 120.916 121.223 -0.057 0.000 2.056 221 L HA -0.080 4.257 4.340 -0.004 0.000 0.207 221 L C 3.103 179.926 176.870 -0.079 0.000 1.078 221 L CA 0.662 55.466 54.840 -0.061 0.000 0.749 221 L CB -0.422 41.620 42.059 -0.028 0.000 0.901 221 L HN 0.277 nan 8.230 nan 0.000 0.433 222 C N -0.909 118.300 119.300 -0.152 0.000 2.413 222 C HA -0.178 4.280 4.460 -0.004 0.000 0.276 222 C C 3.140 178.066 174.990 -0.106 0.000 1.248 222 C CA 1.297 60.213 59.018 -0.170 0.000 1.742 222 C CB -0.692 26.808 27.740 -0.401 0.000 2.017 222 C HN 0.513 nan 8.230 nan 0.000 0.481 223 S N 0.849 116.486 115.700 -0.104 0.000 2.370 223 S HA -0.131 4.337 4.470 -0.004 0.000 0.226 223 S C 1.683 176.257 174.600 -0.043 0.000 1.033 223 S CA 1.371 59.535 58.200 -0.060 0.000 1.011 223 S CB -0.369 62.802 63.200 -0.048 0.000 0.852 223 S HN 0.569 nan 8.310 nan 0.000 0.457 224 L N 0.609 121.803 121.223 -0.048 0.000 2.056 224 L HA -0.032 4.306 4.340 -0.004 0.000 0.207 224 L C 2.102 178.951 176.870 -0.035 0.000 1.078 224 L CA 1.024 55.839 54.840 -0.041 0.000 0.749 224 L CB -0.389 41.640 42.059 -0.051 0.000 0.901 224 L HN 0.283 nan 8.230 nan 0.000 0.433 225 L N -1.243 119.960 121.223 -0.033 0.000 2.307 225 L HA -0.045 4.293 4.340 -0.004 0.000 0.211 225 L C 2.363 179.235 176.870 0.004 0.000 1.099 225 L CA 1.407 56.240 54.840 -0.012 0.000 0.816 225 L CB -0.361 41.703 42.059 0.008 0.000 0.952 225 L HN 0.401 nan 8.230 nan 0.000 0.455 226 T N -5.482 109.069 114.554 -0.005 0.000 2.955 226 T HA 0.247 4.595 4.350 -0.004 0.000 0.251 226 T C 1.418 176.115 174.700 -0.006 0.000 1.002 226 T CA 0.556 62.657 62.100 0.001 0.000 0.970 226 T CB 0.906 69.775 68.868 0.003 0.000 1.091 226 T HN 0.290 nan 8.240 nan 0.000 0.495 227 G N 1.674 110.465 108.800 -0.014 0.000 2.143 227 G HA2 -0.281 3.677 3.960 -0.004 0.000 0.248 227 G HA3 -0.281 3.677 3.960 -0.004 0.000 0.248 227 G C 0.483 175.376 174.900 -0.011 0.000 0.991 227 G CA 0.123 45.216 45.100 -0.012 0.000 0.689 227 G HN 1.453 nan 8.290 nan 0.000 0.522 228 C N -1.124 118.165 119.300 -0.018 0.000 2.700 228 C HA 0.734 5.192 4.460 -0.004 0.000 0.397 228 C C 1.224 176.209 174.990 -0.009 0.000 1.301 228 C CA 0.101 59.110 59.018 -0.015 0.000 2.219 228 C CB 1.115 28.840 27.740 -0.025 0.000 2.699 228 C HN 0.480 nan 8.230 nan 0.000 0.669 229 E N 0.268 120.471 120.200 0.005 0.000 2.630 229 E HA 0.202 4.550 4.350 -0.004 0.000 0.218 229 E C 0.120 176.741 176.600 0.035 0.000 0.977 229 E CA 0.064 56.473 56.400 0.015 0.000 1.038 229 E CB 0.609 30.317 29.700 0.013 0.000 1.051 229 E HN 0.943 nan 8.360 nan 0.000 0.487 230 S N -1.404 114.326 115.700 0.051 0.000 2.550 230 S HA 0.219 4.687 4.470 -0.004 0.000 0.270 230 S C 0.146 174.843 174.600 0.162 0.000 1.145 230 S CA -0.850 57.409 58.200 0.099 0.000 0.852 230 S CB 0.801 64.048 63.200 0.079 0.000 1.119 230 S HN 0.025 nan 8.310 nan 0.000 0.465 231 F N 2.229 122.210 119.950 0.052 0.000 2.091 231 F HA -0.049 4.476 4.527 -0.004 0.000 0.299 231 F C 1.960 177.832 175.800 0.119 0.000 1.103 231 F CA 2.299 60.369 58.000 0.116 0.000 1.228 231 F CB -0.825 38.259 39.000 0.141 0.000 0.984 231 F HN 0.805 nan 8.300 nan 0.000 0.477 232 E N 0.354 120.552 120.200 -0.003 0.000 2.065 232 E HA -0.289 4.059 4.350 -0.004 0.000 0.201 232 E C 2.228 178.775 176.600 -0.088 0.000 1.016 232 E CA 1.953 58.282 56.400 -0.118 0.000 0.818 232 E CB -0.616 29.068 29.700 -0.026 0.000 0.749 232 E HN 0.668 nan 8.360 nan 0.000 0.453 233 E N -0.014 120.174 120.200 -0.019 0.000 2.110 233 E HA -0.184 4.164 4.350 -0.004 0.000 0.193 233 E C 1.966 178.567 176.600 0.001 0.000 0.988 233 E CA 1.027 57.420 56.400 -0.011 0.000 0.804 233 E CB -0.127 29.576 29.700 0.004 0.000 0.745 233 E HN 0.251 nan 8.360 nan 0.000 0.458 234 A N 1.103 123.935 122.820 0.021 0.000 1.902 234 A HA -0.140 4.177 4.320 -0.004 0.000 0.217 234 A C 2.209 179.920 177.584 0.213 0.000 1.181 234 A CA 1.166 53.233 52.037 0.050 0.000 0.623 234 A CB -0.657 18.281 19.000 -0.104 0.000 0.818 234 A HN 0.332 nan 8.150 nan 0.000 0.443 235 L N -0.982 120.314 121.223 0.121 0.000 2.141 235 L HA -0.180 4.158 4.340 -0.004 0.000 0.209 235 L C 2.620 179.460 176.870 -0.051 0.000 1.094 235 L CA 1.622 56.452 54.840 -0.016 0.000 0.763 235 L CB -0.418 41.437 42.059 -0.341 0.000 0.908 235 L HN 0.497 nan 8.230 nan 0.000 0.437 236 E N 0.623 120.792 120.200 -0.053 0.000 2.031 236 E HA -0.234 4.114 4.350 -0.004 0.000 0.193 236 E C 2.267 178.855 176.600 -0.019 0.000 0.994 236 E CA 1.572 57.943 56.400 -0.048 0.000 0.800 236 E CB -0.122 29.552 29.700 -0.043 0.000 0.752 236 E HN 0.281 nan 8.360 nan 0.000 0.447 237 M N -0.071 119.535 119.600 0.010 0.000 2.073 237 M HA -0.206 4.271 4.480 -0.004 0.000 0.258 237 M C 2.403 178.726 176.300 0.038 0.000 1.070 237 M CA 1.843 57.159 55.300 0.026 0.000 1.103 237 M CB -0.493 32.132 32.600 0.041 0.000 1.321 237 M HN 0.256 nan 8.290 nan 0.000 0.405 238 A N 0.488 123.358 122.820 0.082 0.000 1.940 238 A HA -0.185 4.133 4.320 -0.004 0.000 0.219 238 A C 2.283 179.861 177.584 -0.011 0.000 1.176 238 A CA 2.250 54.333 52.037 0.076 0.000 0.631 238 A CB -1.003 18.087 19.000 0.150 0.000 0.814 238 A HN 0.629 nan 8.150 nan 0.000 0.446 239 S N -0.307 115.368 115.700 -0.042 0.000 2.419 239 S HA -0.115 4.353 4.470 -0.004 0.000 0.233 239 S C 1.534 176.097 174.600 -0.062 0.000 1.016 239 S CA 1.473 59.628 58.200 -0.076 0.000 0.974 239 S CB -0.297 62.847 63.200 -0.092 0.000 0.786 239 S HN 0.618 nan 8.310 nan 0.000 0.492 240 K N 1.153 121.529 120.400 -0.040 0.000 2.404 240 K HA 0.263 4.581 4.320 -0.004 0.000 0.194 240 K C 0.932 177.514 176.600 -0.029 0.000 1.023 240 K CA 0.191 56.457 56.287 -0.035 0.000 1.094 240 K CB 0.405 32.890 32.500 -0.025 0.000 0.841 240 K HN 0.467 nan 8.250 nan 0.000 0.523 241 G N 0.606 109.390 108.800 -0.026 0.000 2.491 241 G HA2 0.141 4.099 3.960 -0.004 0.000 0.327 241 G HA3 0.141 4.099 3.960 -0.004 0.000 0.327 241 G C -1.419 173.460 174.900 -0.036 0.000 1.189 241 G CA -0.306 44.784 45.100 -0.018 0.000 0.956 241 G HN -0.028 nan 8.290 nan 0.000 0.491 242 D N -0.813 119.568 120.400 -0.031 0.000 2.453 242 D HA 0.288 4.925 4.640 -0.004 0.000 0.238 242 D C 1.538 177.810 176.300 -0.048 0.000 1.088 242 D CA -0.309 53.665 54.000 -0.043 0.000 0.854 242 D CB 1.334 42.114 40.800 -0.033 0.000 1.076 242 D HN 0.192 nan 8.370 nan 0.000 0.533 243 S N 1.442 117.101 115.700 -0.068 0.000 2.423 243 S HA -0.188 4.280 4.470 -0.004 0.000 0.231 243 S C 1.797 176.342 174.600 -0.091 0.000 1.014 243 S CA 1.357 59.498 58.200 -0.098 0.000 0.965 243 S CB -0.676 62.456 63.200 -0.113 0.000 0.785 243 S HN 0.539 nan 8.310 nan 0.000 0.495 244 T N -0.846 113.673 114.554 -0.057 0.000 3.072 244 T HA 0.023 4.371 4.350 -0.004 0.000 0.266 244 T C 1.694 176.384 174.700 -0.017 0.000 1.127 244 T CA 0.515 62.597 62.100 -0.031 0.000 1.107 244 T CB -0.361 68.501 68.868 -0.011 0.000 0.910 244 T HN 0.260 nan 8.240 nan 0.000 0.513 245 Q N 0.778 120.566 119.800 -0.020 0.000 2.230 245 Q HA 0.239 4.577 4.340 -0.004 0.000 0.202 245 Q C 2.434 178.441 176.000 0.012 0.000 0.963 245 Q CA 1.489 57.292 55.803 0.001 0.000 0.866 245 Q CB -0.414 28.326 28.738 0.004 0.000 0.931 245 Q HN 0.772 nan 8.270 nan 0.000 0.452 246 A N 0.335 123.139 122.820 -0.027 0.000 1.973 246 A HA 0.030 4.348 4.320 -0.004 0.000 0.210 246 A C 0.474 178.028 177.584 -0.050 0.000 1.200 246 A CA 0.075 52.096 52.037 -0.027 0.000 0.707 246 A CB 0.278 19.208 19.000 -0.118 0.000 0.862 246 A HN 0.105 nan 8.150 nan 0.000 0.461 247 D N 0.633 120.974 120.400 -0.099 0.000 2.255 247 D HA 0.281 4.919 4.640 -0.004 0.000 0.249 247 D C -0.254 176.050 176.300 0.006 0.000 1.078 247 D CA -0.008 53.948 54.000 -0.074 0.000 0.896 247 D CB 1.081 41.821 40.800 -0.100 0.000 1.194 247 D HN 0.254 nan 8.370 nan 0.000 0.429 248 K N 2.596 123.018 120.400 0.036 0.000 2.258 248 K HA 0.313 4.631 4.320 -0.004 0.000 0.284 248 K C -0.507 176.120 176.600 0.044 0.000 1.051 248 K CA -0.463 55.858 56.287 0.057 0.000 0.923 248 K CB 0.453 33.001 32.500 0.079 0.000 1.046 248 K HN 0.355 nan 8.250 nan 0.000 0.474 249 L N 3.910 125.160 121.223 0.044 0.000 2.387 249 L HA 0.222 4.560 4.340 -0.004 0.000 0.266 249 L C 1.761 178.665 176.870 0.057 0.000 1.059 249 L CA -0.956 53.914 54.840 0.050 0.000 0.801 249 L CB 1.344 43.441 42.059 0.063 0.000 1.223 249 L HN 0.480 nan 8.230 nan 0.000 0.456 250 V N 1.208 121.162 119.914 0.066 0.000 2.324 250 V HA -0.313 3.805 4.120 -0.004 0.000 0.250 250 V C 2.631 178.822 176.094 0.161 0.000 1.060 250 V CA 2.547 64.929 62.300 0.137 0.000 1.042 250 V CB -1.000 30.882 31.823 0.099 0.000 0.650 250 V HN 0.941 nan 8.190 nan 0.000 0.450 251 R N 0.464 121.023 120.500 0.098 0.000 2.117 251 R HA -0.215 4.122 4.340 -0.004 0.000 0.243 251 R C 1.728 178.058 176.300 0.049 0.000 1.143 251 R CA 2.183 58.336 56.100 0.088 0.000 0.968 251 R CB -0.826 29.520 30.300 0.078 0.000 0.863 251 R HN 0.403 nan 8.270 nan 0.000 0.444 252 D N 0.904 121.319 120.400 0.025 0.000 2.144 252 D HA -0.071 4.567 4.640 -0.004 0.000 0.199 252 D C 2.020 178.273 176.300 -0.078 0.000 0.984 252 D CA 1.283 55.275 54.000 -0.014 0.000 0.834 252 D CB -0.024 40.779 40.800 0.005 0.000 0.955 252 D HN 0.396 nan 8.370 nan 0.000 0.465 253 I N -1.039 119.445 120.570 -0.142 0.000 2.400 253 I HA -0.172 3.996 4.170 -0.004 0.000 0.248 253 I C 1.405 177.175 176.117 -0.579 0.000 1.109 253 I CA 0.773 61.824 61.300 -0.415 0.000 1.425 253 I CB -0.031 37.589 38.000 -0.633 0.000 1.094 253 I HN -0.044 nan 8.210 nan 0.000 0.425 254 Y N 0.312 120.557 120.300 -0.091 0.000 2.442 254 Y HA 0.362 4.910 4.550 -0.004 0.000 0.250 254 Y C 1.782 177.662 175.900 -0.032 0.000 1.113 254 Y CA 0.296 58.342 58.100 -0.090 0.000 1.273 254 Y CB 0.482 38.868 38.460 -0.122 0.000 1.138 254 Y HN 0.220 nan 8.280 nan 0.000 0.522 255 G N -0.091 108.761 108.800 0.086 0.000 2.143 255 G HA2 0.032 3.989 3.960 -0.004 0.000 0.249 255 G HA3 0.032 3.989 3.960 -0.004 0.000 0.249 255 G C 0.518 175.467 174.900 0.083 0.000 0.981 255 G CA 0.173 45.311 45.100 0.063 0.000 0.665 255 G HN 0.969 nan 8.290 nan 0.000 0.528 256 G N -1.202 107.666 108.800 0.114 0.000 2.367 256 G HA2 0.461 4.418 3.960 -0.004 0.000 0.272 256 G HA3 0.461 4.418 3.960 -0.004 0.000 0.272 256 G C -1.319 173.641 174.900 0.099 0.000 1.271 256 G CA 0.143 45.300 45.100 0.096 0.000 0.893 256 G HN 0.321 nan 8.290 nan 0.000 0.485 257 D N -0.387 120.050 120.400 0.062 0.000 2.378 257 D HA 0.341 4.979 4.640 -0.004 0.000 0.238 257 D C -0.652 175.682 176.300 0.056 0.000 1.180 257 D CA 0.579 54.593 54.000 0.023 0.000 0.895 257 D CB 0.808 41.607 40.800 -0.002 0.000 1.192 257 D HN 0.279 nan 8.370 nan 0.000 0.438 258 Y N 1.178 121.359 120.300 -0.198 0.000 2.638 258 Y HA 0.173 4.721 4.550 -0.004 0.000 0.367 258 Y C 0.775 176.565 175.900 -0.182 0.000 1.001 258 Y CA -0.709 57.191 58.100 -0.333 0.000 1.133 258 Y CB 0.166 38.212 38.460 -0.691 0.000 1.199 258 Y HN 0.253 nan 8.280 nan 0.000 0.642 259 E N 1.285 121.401 120.200 -0.139 0.000 2.358 259 E HA -0.022 4.326 4.350 -0.004 0.000 0.195 259 E C 2.175 178.603 176.600 -0.286 0.000 1.010 259 E CA 0.512 56.804 56.400 -0.180 0.000 0.856 259 E CB 0.061 29.698 29.700 -0.105 0.000 0.795 259 E HN 0.628 nan 8.360 nan 0.000 0.504 260 R N -0.916 119.359 120.500 -0.375 0.000 2.139 260 R HA -0.134 4.204 4.340 -0.004 0.000 0.243 260 R C 0.314 176.099 176.300 -0.860 0.000 1.145 260 R CA 1.280 57.047 56.100 -0.555 0.000 0.976 260 R CB -0.100 29.894 30.300 -0.510 0.000 0.866 260 R HN 0.170 nan 8.270 nan 0.000 0.449 261 F N -0.757 118.816 119.950 -0.628 0.000 2.805 261 F HA 0.340 4.864 4.527 -0.004 0.000 0.317 261 F C 0.836 176.445 175.800 -0.317 0.000 1.146 261 F CA 0.149 57.873 58.000 -0.461 0.000 1.265 261 F CB 1.422 40.099 39.000 -0.537 0.000 0.992 261 F HN 0.154 nan 8.300 nan 0.000 0.511 262 G N 1.611 110.300 108.800 -0.185 0.000 2.273 262 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.280 262 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.280 262 G C -0.392 174.445 174.900 -0.106 0.000 1.047 262 G CA -0.098 44.927 45.100 -0.125 0.000 0.869 262 G HN 0.360 nan 8.290 nan 0.000 0.502 263 L N 1.154 122.308 121.223 -0.115 0.000 2.349 263 L HA 0.492 4.830 4.340 -0.004 0.000 0.278 263 L C -1.872 174.889 176.870 -0.182 0.000 0.996 263 L CA -2.413 52.358 54.840 -0.113 0.000 0.825 263 L CB 2.623 44.681 42.059 -0.002 0.000 1.243 263 L HN -0.040 nan 8.230 nan 0.000 0.412 264 P HA 0.101 nan 4.420 nan 0.000 0.276 264 P C 0.601 177.601 177.300 -0.499 0.000 1.244 264 P CA -0.326 62.468 63.100 -0.510 0.000 0.801 264 P CB 1.301 32.397 31.700 -1.007 0.000 1.006 265 G N 1.603 110.239 108.800 -0.274 0.000 2.450 265 G HA2 -0.221 3.737 3.960 -0.004 0.000 0.220 265 G HA3 -0.221 3.737 3.960 -0.004 0.000 0.220 265 G C 1.168 176.032 174.900 -0.060 0.000 1.130 265 G CA 0.092 45.142 45.100 -0.083 0.000 0.760 265 G HN 0.746 nan 8.290 nan 0.000 0.557 266 W N 0.634 121.961 121.300 0.045 0.000 2.937 266 W HA 0.588 5.246 4.660 -0.003 0.000 0.245 266 W C 0.712 177.227 176.519 -0.006 0.000 1.306 266 W CA -0.416 56.939 57.345 0.018 0.000 1.470 266 W CB -0.726 28.742 29.460 0.013 0.000 1.132 266 W HN 0.255 nan 8.180 nan 0.000 0.675 267 A N 2.101 124.710 122.820 -0.350 0.000 2.407 267 A HA 0.370 4.688 4.320 -0.004 0.000 0.248 267 A C 0.108 177.658 177.584 -0.056 0.000 1.082 267 A CA -0.416 51.468 52.037 -0.256 0.000 0.785 267 A CB 0.681 19.427 19.000 -0.423 0.000 1.020 267 A HN 0.025 nan 8.150 nan 0.000 0.489 268 V N 2.510 122.410 119.914 -0.023 0.000 2.479 268 V HA 0.237 4.355 4.120 -0.004 0.000 0.281 268 V C 1.390 177.508 176.094 0.040 0.000 1.031 268 V CA 0.763 63.074 62.300 0.019 0.000 1.038 268 V CB 0.200 32.037 31.823 0.024 0.000 0.981 268 V HN 1.092 nan 8.190 nan 0.000 0.478 269 A N 4.161 127.015 122.820 0.056 0.000 1.911 269 A HA 0.196 4.514 4.320 -0.004 0.000 0.212 269 A C 1.267 178.901 177.584 0.083 0.000 1.189 269 A CA 0.952 53.037 52.037 0.081 0.000 0.639 269 A CB 0.163 19.213 19.000 0.082 0.000 0.839 269 A HN 0.752 nan 8.150 nan 0.000 0.449 270 S N -0.014 115.728 115.700 0.070 0.000 2.776 270 S HA 0.478 4.945 4.470 -0.004 0.000 0.284 270 S C -0.693 173.953 174.600 0.076 0.000 1.160 270 S CA -0.518 57.728 58.200 0.078 0.000 1.051 270 S CB 0.873 64.112 63.200 0.066 0.000 1.037 270 S HN 0.267 nan 8.310 nan 0.000 0.485 271 S N 3.501 119.261 115.700 0.099 0.000 2.537 271 S HA 0.301 4.769 4.470 -0.004 0.000 0.286 271 S C 0.209 174.924 174.600 0.191 0.000 1.299 271 S CA 0.045 58.291 58.200 0.076 0.000 1.067 271 S CB -0.516 62.775 63.200 0.152 0.000 0.864 271 S HN 0.836 nan 8.310 nan 0.000 0.494 272 F N 0.017 119.996 119.950 0.049 0.000 3.079 272 F HA -0.282 4.243 4.527 -0.004 0.000 0.285 272 F C 1.750 177.559 175.800 0.015 0.000 0.819 272 F CA 0.608 58.628 58.000 0.034 0.000 1.067 272 F CB -1.879 37.137 39.000 0.028 0.000 1.263 272 F HN 0.757 nan 8.300 nan 0.000 0.458 273 G N -0.329 108.549 108.800 0.129 0.000 2.484 273 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.218 273 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.218 273 G C 1.410 176.337 174.900 0.045 0.000 1.130 273 G CA 0.851 45.994 45.100 0.072 0.000 0.784 273 G HN 0.381 nan 8.290 nan 0.000 0.543 274 N N 0.205 118.971 118.700 0.109 0.000 2.515 274 N HA 0.053 4.791 4.740 -0.004 0.000 0.185 274 N C 1.802 177.403 175.510 0.152 0.000 1.109 274 N CA 0.203 53.379 53.050 0.211 0.000 0.903 274 N CB 0.048 38.654 38.487 0.199 0.000 0.969 274 N HN 0.155 nan 8.380 nan 0.000 0.450 275 M N 0.299 119.949 119.600 0.084 0.000 2.618 275 M HA 0.130 4.608 4.480 -0.004 0.000 0.240 275 M C 1.551 177.826 176.300 -0.041 0.000 1.123 275 M CA 0.316 55.660 55.300 0.074 0.000 1.060 275 M CB -0.688 32.005 32.600 0.155 0.000 1.535 275 M HN 0.201 nan 8.290 nan 0.000 0.507 276 I N -2.673 117.767 120.570 -0.217 0.000 3.291 276 I HA -0.078 4.090 4.170 -0.004 0.000 0.279 276 I C -0.293 175.581 176.117 -0.404 0.000 1.294 276 I CA 0.437 61.521 61.300 -0.360 0.000 1.428 276 I CB -0.433 37.275 38.000 -0.488 0.000 1.070 276 I HN -0.039 nan 8.210 nan 0.000 0.478 277 Y N 1.667 121.980 120.300 0.022 0.000 2.342 277 Y HA 0.375 4.922 4.550 -0.004 0.000 0.338 277 Y C 1.340 177.250 175.900 0.016 0.000 0.965 277 Y CA -0.816 57.292 58.100 0.014 0.000 1.159 277 Y CB 1.321 39.787 38.460 0.010 0.000 1.157 277 Y HN -0.134 nan 8.280 nan 0.000 0.486 278 K N 1.701 122.190 120.400 0.147 0.000 2.052 278 K HA -0.325 3.993 4.320 -0.004 0.000 0.215 278 K C 1.900 178.553 176.600 0.088 0.000 1.053 278 K CA 2.251 58.592 56.287 0.089 0.000 0.934 278 K CB 0.035 32.575 32.500 0.066 0.000 0.717 278 K HN 0.824 nan 8.250 nan 0.000 0.450 279 E N 0.314 120.570 120.200 0.093 0.000 2.118 279 E HA -0.221 4.127 4.350 -0.004 0.000 0.195 279 E C 1.694 178.333 176.600 0.065 0.000 0.992 279 E CA 1.267 57.703 56.400 0.059 0.000 0.804 279 E CB 0.244 29.962 29.700 0.031 0.000 0.741 279 E HN 0.125 nan 8.360 nan 0.000 0.458 280 K N 0.142 120.606 120.400 0.107 0.000 2.167 280 K HA -0.026 4.292 4.320 -0.004 0.000 0.203 280 K C 2.171 178.827 176.600 0.093 0.000 1.052 280 K CA 0.520 56.870 56.287 0.105 0.000 0.956 280 K CB -0.134 32.467 32.500 0.168 0.000 0.735 280 K HN 0.138 nan 8.250 nan 0.000 0.451 281 R N 1.006 121.562 120.500 0.094 0.000 2.096 281 R HA -0.085 4.252 4.340 -0.004 0.000 0.235 281 R C 1.920 178.253 176.300 0.055 0.000 1.127 281 R CA 0.961 57.105 56.100 0.073 0.000 0.968 281 R CB 0.012 30.348 30.300 0.060 0.000 0.861 281 R HN 0.182 nan 8.270 nan 0.000 0.440 282 E N 0.311 120.540 120.200 0.049 0.000 2.106 282 E HA -0.120 4.228 4.350 -0.004 0.000 0.192 282 E C 1.901 178.520 176.600 0.032 0.000 0.984 282 E CA 1.678 58.100 56.400 0.036 0.000 0.806 282 E CB -0.122 29.596 29.700 0.030 0.000 0.750 282 E HN 0.340 nan 8.360 nan 0.000 0.458 283 S N 0.115 115.835 115.700 0.035 0.000 2.524 283 S HA 0.076 4.544 4.470 -0.004 0.000 0.216 283 S C 1.062 175.680 174.600 0.029 0.000 0.987 283 S CA -0.316 57.900 58.200 0.027 0.000 0.909 283 S CB 0.054 63.268 63.200 0.022 0.000 0.781 283 S HN 0.020 nan 8.310 nan 0.000 0.521 284 V N 4.166 124.105 119.914 0.040 0.000 2.585 284 V HA 0.384 4.502 4.120 -0.004 0.000 0.296 284 V C 0.507 176.625 176.094 0.039 0.000 1.035 284 V CA -0.041 62.285 62.300 0.044 0.000 1.084 284 V CB 0.746 32.608 31.823 0.066 0.000 0.953 284 V HN 0.708 nan 8.190 nan 0.000 0.483 285 S N 5.443 121.163 115.700 0.033 0.000 2.652 285 S HA 0.388 4.856 4.470 -0.004 0.000 0.270 285 S C 0.910 175.534 174.600 0.040 0.000 1.243 285 S CA -0.501 57.717 58.200 0.029 0.000 0.999 285 S CB 1.248 64.460 63.200 0.019 0.000 0.973 285 S HN 0.738 nan 8.310 nan 0.000 0.544 286 K N 0.651 121.072 120.400 0.035 0.000 2.074 286 K HA -0.165 4.152 4.320 -0.004 0.000 0.209 286 K C 1.942 178.570 176.600 0.047 0.000 1.048 286 K CA 2.022 58.333 56.287 0.040 0.000 0.926 286 K CB -0.281 32.235 32.500 0.026 0.000 0.713 286 K HN 0.662 nan 8.250 nan 0.000 0.444 287 E N 0.787 121.007 120.200 0.034 0.000 2.110 287 E HA -0.172 4.176 4.350 -0.004 0.000 0.193 287 E C 1.560 178.183 176.600 0.038 0.000 0.988 287 E CA 1.376 57.796 56.400 0.033 0.000 0.804 287 E CB -0.097 29.611 29.700 0.014 0.000 0.745 287 E HN 0.262 nan 8.360 nan 0.000 0.458 288 D N 0.060 120.479 120.400 0.032 0.000 2.144 288 D HA -0.104 4.534 4.640 -0.004 0.000 0.200 288 D C 1.950 178.274 176.300 0.040 0.000 0.978 288 D CA 0.742 54.754 54.000 0.020 0.000 0.833 288 D CB -0.143 40.666 40.800 0.014 0.000 0.961 288 D HN 0.190 nan 8.370 nan 0.000 0.470 289 L N 0.617 121.895 121.223 0.092 0.000 2.109 289 L HA -0.070 4.268 4.340 -0.004 0.000 0.207 289 L C 2.523 179.521 176.870 0.213 0.000 1.086 289 L CA 0.871 55.823 54.840 0.186 0.000 0.760 289 L CB -0.359 41.823 42.059 0.205 0.000 0.910 289 L HN -0.030 nan 8.230 nan 0.000 0.437 290 A N 0.258 123.174 122.820 0.160 0.000 1.877 290 A HA -0.250 4.068 4.320 -0.004 0.000 0.216 290 A C 2.352 180.102 177.584 0.277 0.000 1.186 290 A CA 1.806 53.971 52.037 0.213 0.000 0.620 290 A CB -0.467 18.626 19.000 0.156 0.000 0.822 290 A HN 0.257 nan 8.150 nan 0.000 0.443 291 R N 0.175 120.760 120.500 0.141 0.000 2.081 291 R HA -0.028 4.310 4.340 -0.004 0.000 0.235 291 R C 2.156 178.475 176.300 0.032 0.000 1.131 291 R CA 1.935 58.077 56.100 0.071 0.000 0.960 291 R CB -0.931 29.369 30.300 -0.001 0.000 0.856 291 R HN 0.404 nan 8.270 nan 0.000 0.436 292 A N -0.832 121.964 122.820 -0.040 0.000 1.933 292 A HA -0.145 4.172 4.320 -0.004 0.000 0.218 292 A C 2.168 179.683 177.584 -0.116 0.000 1.175 292 A CA 2.093 53.982 52.037 -0.246 0.000 0.628 292 A CB -1.029 17.598 19.000 -0.622 0.000 0.814 292 A HN 0.484 nan 8.150 nan 0.000 0.444 293 T N 0.090 114.781 114.554 0.229 0.000 2.684 293 T HA -0.156 4.192 4.350 -0.004 0.000 0.267 293 T C 1.835 176.793 174.700 0.430 0.000 1.036 293 T CA 1.577 63.979 62.100 0.503 0.000 1.148 293 T CB -0.392 68.820 68.868 0.573 0.000 0.863 293 T HN 0.293 nan 8.240 nan 0.000 0.436 294 L N 1.221 122.663 121.223 0.366 0.000 2.017 294 L HA -0.010 4.328 4.340 -0.004 0.000 0.208 294 L C 2.484 179.406 176.870 0.087 0.000 1.073 294 L CA 1.423 56.317 54.840 0.090 0.000 0.745 294 L CB -0.738 41.224 42.059 -0.161 0.000 0.894 294 L HN 0.077 nan 8.230 nan 0.000 0.432 295 V N -0.798 119.150 119.914 0.056 0.000 2.343 295 V HA -0.307 3.811 4.120 -0.004 0.000 0.247 295 V C 2.464 178.615 176.094 0.096 0.000 1.051 295 V CA 2.192 64.516 62.300 0.040 0.000 1.036 295 V CB -1.015 30.793 31.823 -0.025 0.000 0.654 295 V HN 0.538 nan 8.190 nan 0.000 0.451 296 T N 0.322 114.939 114.554 0.105 0.000 2.720 296 T HA -0.133 4.215 4.350 -0.004 0.000 0.268 296 T C 1.864 176.670 174.700 0.177 0.000 1.037 296 T CA 1.527 63.719 62.100 0.154 0.000 1.144 296 T CB -0.195 68.808 68.868 0.224 0.000 0.864 296 T HN 0.208 nan 8.240 nan 0.000 0.444 297 I N 2.033 122.711 120.570 0.180 0.000 2.286 297 I HA -0.112 4.056 4.170 -0.004 0.000 0.245 297 I C 2.946 179.135 176.117 0.120 0.000 1.104 297 I CA 1.748 63.128 61.300 0.133 0.000 1.397 297 I CB -1.657 36.417 38.000 0.123 0.000 1.072 297 I HN 0.446 nan 8.210 nan 0.000 0.417 298 T N -1.006 113.644 114.554 0.160 0.000 2.812 298 T HA -0.084 4.264 4.350 -0.004 0.000 0.264 298 T C 1.745 176.583 174.700 0.229 0.000 1.042 298 T CA 1.003 63.216 62.100 0.188 0.000 1.140 298 T CB -0.454 68.527 68.868 0.187 0.000 0.870 298 T HN 0.120 nan 8.240 nan 0.000 0.445 299 N N 2.189 121.045 118.700 0.259 0.000 2.104 299 N HA -0.097 4.641 4.740 -0.004 0.000 0.190 299 N C 1.889 177.656 175.510 0.428 0.000 1.024 299 N CA 1.527 54.819 53.050 0.402 0.000 0.853 299 N CB -0.793 37.904 38.487 0.350 0.000 1.008 299 N HN 0.532 nan 8.380 nan 0.000 0.424 300 N N 0.643 119.487 118.700 0.241 0.000 2.142 300 N HA 0.042 4.780 4.740 -0.004 0.000 0.186 300 N C 1.694 177.226 175.510 0.036 0.000 1.023 300 N CA 0.708 53.824 53.050 0.110 0.000 0.852 300 N CB -0.107 38.434 38.487 0.091 0.000 0.998 300 N HN 0.199 nan 8.380 nan 0.000 0.424 301 I N -0.212 120.412 120.570 0.091 0.000 2.226 301 I HA -0.160 4.008 4.170 -0.004 0.000 0.245 301 I C 2.306 178.512 176.117 0.148 0.000 1.100 301 I CA 1.239 62.601 61.300 0.104 0.000 1.374 301 I CB -0.711 37.373 38.000 0.140 0.000 1.057 301 I HN 0.274 nan 8.210 nan 0.000 0.413 302 G N -0.380 108.546 108.800 0.209 0.000 2.442 302 G HA2 -0.314 3.644 3.960 -0.004 0.000 0.219 302 G HA3 -0.314 3.644 3.960 -0.004 0.000 0.219 302 G C 1.776 176.697 174.900 0.035 0.000 1.141 302 G CA 1.167 46.436 45.100 0.282 0.000 0.763 302 G HN 0.403 nan 8.290 nan 0.000 0.554 303 S N -0.480 114.968 115.700 -0.419 0.000 2.355 303 S HA -0.084 4.384 4.470 -0.004 0.000 0.222 303 S C 2.528 176.853 174.600 -0.460 0.000 1.031 303 S CA 1.470 59.029 58.200 -1.069 0.000 0.993 303 S CB -0.333 61.991 63.200 -1.460 0.000 0.859 303 S HN 0.119 nan 8.310 nan 0.000 0.453 304 V N 2.450 122.207 119.914 -0.261 0.000 2.287 304 V HA -0.153 3.964 4.120 -0.004 0.000 0.248 304 V C 2.931 178.972 176.094 -0.089 0.000 1.053 304 V CA 1.860 64.072 62.300 -0.146 0.000 1.027 304 V CB -1.458 30.314 31.823 -0.086 0.000 0.646 304 V HN 0.623 nan 8.190 nan 0.000 0.447 305 A N 0.022 122.823 122.820 -0.031 0.000 1.883 305 A HA -0.275 4.042 4.320 -0.004 0.000 0.217 305 A C 2.442 180.016 177.584 -0.017 0.000 1.186 305 A CA 2.095 54.125 52.037 -0.012 0.000 0.624 305 A CB -0.609 18.452 19.000 0.102 0.000 0.822 305 A HN 0.403 nan 8.150 nan 0.000 0.444 306 R N -0.506 119.998 120.500 0.006 0.000 2.092 306 R HA -0.031 4.307 4.340 -0.004 0.000 0.231 306 R C 2.021 178.309 176.300 -0.019 0.000 1.119 306 R CA 1.821 57.934 56.100 0.022 0.000 0.970 306 R CB -0.422 29.933 30.300 0.092 0.000 0.864 306 R HN 0.626 nan 8.270 nan 0.000 0.440 307 M N -0.643 118.918 119.600 -0.065 0.000 2.229 307 M HA -0.160 4.318 4.480 -0.004 0.000 0.264 307 M C 2.544 178.818 176.300 -0.043 0.000 1.063 307 M CA 1.143 56.407 55.300 -0.058 0.000 1.114 307 M CB -0.204 32.343 32.600 -0.090 0.000 1.387 307 M HN 0.189 nan 8.290 nan 0.000 0.420 308 C N 0.303 119.573 119.300 -0.051 0.000 2.446 308 C HA -0.072 4.386 4.460 -0.004 0.000 0.277 308 C C 3.091 178.057 174.990 -0.040 0.000 1.275 308 C CA 1.060 60.050 59.018 -0.046 0.000 1.727 308 C CB -1.161 26.543 27.740 -0.059 0.000 2.010 308 C HN 0.641 nan 8.230 nan 0.000 0.486 309 A N 0.327 123.120 122.820 -0.045 0.000 1.883 309 A HA -0.142 4.176 4.320 -0.004 0.000 0.217 309 A C 2.285 179.858 177.584 -0.019 0.000 1.186 309 A CA 2.369 54.382 52.037 -0.040 0.000 0.624 309 A CB -0.881 18.096 19.000 -0.039 0.000 0.822 309 A HN 0.360 nan 8.150 nan 0.000 0.444 310 V N 1.248 121.155 119.914 -0.012 0.000 2.255 310 V HA -0.320 3.798 4.120 -0.004 0.000 0.247 310 V C 2.539 178.632 176.094 -0.002 0.000 1.051 310 V CA 2.307 64.605 62.300 -0.003 0.000 1.018 310 V CB -1.020 30.804 31.823 0.000 0.000 0.641 310 V HN 0.821 nan 8.190 nan 0.000 0.445 311 N N 0.013 118.709 118.700 -0.006 0.000 2.104 311 N HA -0.213 4.525 4.740 -0.004 0.000 0.190 311 N C 1.632 177.146 175.510 0.008 0.000 1.024 311 N CA 1.428 54.477 53.050 -0.002 0.000 0.853 311 N CB 0.000 38.483 38.487 -0.007 0.000 1.008 311 N HN 0.470 nan 8.380 nan 0.000 0.424 312 E N 0.857 121.062 120.200 0.008 0.000 2.481 312 E HA -0.014 4.334 4.350 -0.004 0.000 0.195 312 E C -0.097 176.526 176.600 0.039 0.000 1.047 312 E CA 0.157 56.575 56.400 0.031 0.000 0.867 312 E CB 0.032 29.742 29.700 0.016 0.000 0.858 312 E HN 0.340 nan 8.360 nan 0.000 0.513 313 K N 0.489 120.901 120.400 0.020 0.000 3.278 313 K HA -0.190 4.128 4.320 -0.004 0.000 0.270 313 K C -0.416 176.195 176.600 0.019 0.000 0.955 313 K CA 0.411 56.710 56.287 0.020 0.000 0.723 313 K CB -1.603 30.914 32.500 0.027 0.000 1.382 313 K HN 0.181 nan 8.250 nan 0.000 0.461 314 I N 1.246 121.815 120.570 -0.003 0.000 2.465 314 I HA 0.114 4.282 4.170 -0.004 0.000 0.291 314 I C 0.649 176.747 176.117 -0.031 0.000 1.014 314 I CA -0.836 60.452 61.300 -0.021 0.000 1.093 314 I CB 1.615 39.581 38.000 -0.056 0.000 1.267 314 I HN 0.218 nan 8.210 nan 0.000 0.431 315 N N 4.503 123.188 118.700 -0.025 0.000 2.204 315 N HA 0.153 4.891 4.740 -0.004 0.000 0.219 315 N C -0.160 175.318 175.510 -0.052 0.000 1.151 315 N CA -0.430 52.604 53.050 -0.026 0.000 0.867 315 N CB 0.437 38.923 38.487 -0.001 0.000 1.043 315 N HN 0.409 nan 8.380 nan 0.000 0.516 316 R N 0.402 120.855 120.500 -0.078 0.000 2.337 316 R HA 0.519 4.857 4.340 -0.004 0.000 0.319 316 R C -1.324 174.857 176.300 -0.198 0.000 0.954 316 R CA -0.674 55.342 56.100 -0.139 0.000 0.840 316 R CB 2.070 32.322 30.300 -0.079 0.000 1.164 316 R HN -0.078 nan 8.270 nan 0.000 0.472 317 V N 4.371 124.134 119.914 -0.252 0.000 2.350 317 V HA 0.312 4.430 4.120 -0.004 0.000 0.285 317 V C -0.128 175.700 176.094 -0.444 0.000 1.014 317 V CA -0.843 61.249 62.300 -0.346 0.000 0.831 317 V CB 1.788 33.436 31.823 -0.291 0.000 1.000 317 V HN 0.422 nan 8.190 nan 0.000 0.433 318 V N 5.473 125.101 119.914 -0.477 0.000 2.427 318 V HA 0.535 4.653 4.120 -0.004 0.000 0.286 318 V C -0.551 175.256 176.094 -0.479 0.000 1.034 318 V CA -0.428 61.635 62.300 -0.395 0.000 0.893 318 V CB 1.530 33.194 31.823 -0.265 0.000 0.982 318 V HN 0.652 nan 8.190 nan 0.000 0.452 319 F N 4.364 124.154 119.950 -0.266 0.000 2.444 319 F HA 0.751 5.276 4.527 -0.004 0.000 0.342 319 F C 0.200 176.063 175.800 0.104 0.000 1.121 319 F CA -0.590 57.372 58.000 -0.063 0.000 0.997 319 F CB 1.952 40.936 39.000 -0.028 0.000 1.130 319 F HN 0.408 nan 8.300 nan 0.000 0.454 320 V N -0.010 120.075 119.914 0.284 0.000 3.167 320 V HA 1.092 5.210 4.120 -0.004 0.000 0.310 320 V C -0.229 176.019 176.094 0.257 0.000 1.207 320 V CA -0.779 61.685 62.300 0.272 0.000 1.059 320 V CB 1.300 33.260 31.823 0.227 0.000 1.079 320 V HN 1.299 nan 8.190 nan 0.000 0.446 321 G N 1.663 110.594 108.800 0.219 0.000 2.392 321 G HA2 0.037 3.995 3.960 -0.004 0.000 0.677 321 G HA3 0.037 3.995 3.960 -0.004 0.000 0.677 321 G C -0.205 174.806 174.900 0.184 0.000 1.334 321 G CA 0.110 45.318 45.100 0.180 0.000 0.961 321 G HN 2.009 nan 8.290 nan 0.000 0.616 322 N N -0.556 118.224 118.700 0.135 0.000 2.443 322 N HA -0.052 4.686 4.740 -0.004 0.000 0.184 322 N C 1.844 177.470 175.510 0.192 0.000 1.037 322 N CA 2.118 55.237 53.050 0.115 0.000 0.896 322 N CB -0.187 38.323 38.487 0.040 0.000 0.959 322 N HN 0.657 nan 8.380 nan 0.000 0.442 323 F N 0.740 120.716 119.950 0.042 0.000 2.333 323 F HA 0.087 4.612 4.527 -0.003 0.000 0.300 323 F C 1.289 177.271 175.800 0.303 0.000 1.083 323 F CA 0.870 58.944 58.000 0.124 0.000 1.395 323 F CB 0.215 39.269 39.000 0.091 0.000 1.056 323 F HN 0.035 nan 8.300 nan 0.000 0.529 324 L N -0.480 120.876 121.223 0.221 0.000 2.640 324 L HA 0.177 4.515 4.340 -0.004 0.000 0.230 324 L C 1.701 178.613 176.870 0.070 0.000 1.123 324 L CA 0.053 54.948 54.840 0.091 0.000 0.900 324 L CB -0.239 41.944 42.059 0.208 0.000 1.146 324 L HN -0.027 nan 8.230 nan 0.000 0.484 325 R N -0.835 119.740 120.500 0.125 0.000 2.280 325 R HA 0.067 4.404 4.340 -0.004 0.000 0.195 325 R C 1.711 178.042 176.300 0.052 0.000 0.935 325 R CA 0.246 56.399 56.100 0.088 0.000 1.033 325 R CB 0.477 30.833 30.300 0.094 0.000 0.964 325 R HN 0.146 nan 8.270 nan 0.000 0.489 326 V N 0.028 119.955 119.914 0.022 0.000 2.599 326 V HA 0.058 4.176 4.120 -0.004 0.000 0.237 326 V C 0.531 176.543 176.094 -0.136 0.000 1.081 326 V CA 0.815 63.070 62.300 -0.076 0.000 1.107 326 V CB -0.046 31.657 31.823 -0.201 0.000 0.808 326 V HN 0.156 nan 8.190 nan 0.000 0.486 327 N N -0.245 118.330 118.700 -0.209 0.000 2.525 327 N HA 0.314 5.052 4.740 -0.004 0.000 0.288 327 N C 0.899 176.302 175.510 -0.178 0.000 1.242 327 N CA 0.506 53.436 53.050 -0.201 0.000 0.905 327 N CB 1.704 40.032 38.487 -0.265 0.000 1.258 327 N HN 0.285 nan 8.380 nan 0.000 0.551 328 T N -1.883 112.572 114.554 -0.165 0.000 3.081 328 T HA 0.020 4.368 4.350 -0.004 0.000 0.250 328 T C 1.751 176.279 174.700 -0.286 0.000 1.100 328 T CA 0.087 62.079 62.100 -0.180 0.000 1.038 328 T CB -0.072 68.727 68.868 -0.114 0.000 0.962 328 T HN 0.240 nan 8.240 nan 0.000 0.516 329 L N 2.258 123.316 121.223 -0.276 0.000 1.990 329 L HA -0.075 4.262 4.340 -0.004 0.000 0.213 329 L C 2.599 179.274 176.870 -0.325 0.000 1.072 329 L CA 1.776 56.439 54.840 -0.295 0.000 0.755 329 L CB -1.240 40.660 42.059 -0.265 0.000 0.889 329 L HN 0.250 nan 8.230 nan 0.000 0.432 330 S N -0.914 114.555 115.700 -0.385 0.000 2.365 330 S HA -0.259 4.209 4.470 -0.004 0.000 0.225 330 S C 1.926 176.374 174.600 -0.253 0.000 1.039 330 S CA 2.088 60.031 58.200 -0.428 0.000 1.033 330 S CB -0.331 62.407 63.200 -0.769 0.000 0.887 330 S HN 0.460 nan 8.310 nan 0.000 0.447 331 M N 0.726 120.141 119.600 -0.308 0.000 2.117 331 M HA -0.120 4.357 4.480 -0.004 0.000 0.262 331 M C 2.108 178.173 176.300 -0.392 0.000 1.065 331 M CA 1.401 56.459 55.300 -0.403 0.000 1.114 331 M CB -0.393 31.792 32.600 -0.691 0.000 1.361 331 M HN 0.184 nan 8.290 nan 0.000 0.408 332 K N 0.354 120.421 120.400 -0.555 0.000 2.097 332 K HA -0.088 4.229 4.320 -0.004 0.000 0.206 332 K C 1.837 178.308 176.600 -0.215 0.000 1.049 332 K CA 1.064 57.000 56.287 -0.585 0.000 0.933 332 K CB -0.211 31.906 32.500 -0.638 0.000 0.717 332 K HN 0.355 nan 8.250 nan 0.000 0.442 333 L N 0.689 121.820 121.223 -0.154 0.000 2.109 333 L HA -0.122 4.216 4.340 -0.004 0.000 0.207 333 L C 2.277 179.206 176.870 0.098 0.000 1.086 333 L CA 0.783 55.611 54.840 -0.020 0.000 0.760 333 L CB -0.364 41.660 42.059 -0.059 0.000 0.910 333 L HN 0.161 nan 8.230 nan 0.000 0.437 334 L N -0.202 121.046 121.223 0.041 0.000 2.017 334 L HA -0.183 4.155 4.340 -0.004 0.000 0.208 334 L C 2.932 179.803 176.870 0.002 0.000 1.073 334 L CA 1.183 56.008 54.840 -0.026 0.000 0.745 334 L CB -0.714 41.221 42.059 -0.207 0.000 0.894 334 L HN 0.226 nan 8.230 nan 0.000 0.432 335 A N -0.486 122.418 122.820 0.139 0.000 1.892 335 A HA -0.319 3.999 4.320 -0.004 0.000 0.218 335 A C 2.207 179.907 177.584 0.193 0.000 1.188 335 A CA 1.985 54.166 52.037 0.239 0.000 0.631 335 A CB -1.025 18.204 19.000 0.383 0.000 0.822 335 A HN 0.510 nan 8.150 nan 0.000 0.447 336 Y N 0.555 120.888 120.300 0.055 0.000 2.114 336 Y HA -0.111 4.437 4.550 -0.004 0.000 0.284 336 Y C 2.661 178.632 175.900 0.118 0.000 1.143 336 Y CA 1.561 59.692 58.100 0.052 0.000 1.135 336 Y CB -0.623 37.822 38.460 -0.025 0.000 0.980 336 Y HN 0.316 nan 8.280 nan 0.000 0.499 337 A N 0.274 123.196 122.820 0.170 0.000 1.865 337 A HA -0.222 4.096 4.320 -0.004 0.000 0.217 337 A C 2.213 179.979 177.584 0.302 0.000 1.191 337 A CA 1.941 54.114 52.037 0.226 0.000 0.623 337 A CB -1.359 17.855 19.000 0.357 0.000 0.826 337 A HN 0.555 nan 8.150 nan 0.000 0.444 338 L N 0.248 121.619 121.223 0.247 0.000 2.083 338 L HA -0.166 4.172 4.340 -0.004 0.000 0.209 338 L C 2.008 178.991 176.870 0.188 0.000 1.083 338 L CA 2.685 57.688 54.840 0.272 0.000 0.752 338 L CB -0.631 41.575 42.059 0.245 0.000 0.899 338 L HN 0.569 nan 8.230 nan 0.000 0.433 339 D N -2.164 118.298 120.400 0.103 0.000 2.123 339 D HA -0.322 4.315 4.640 -0.004 0.000 0.196 339 D C 2.127 178.421 176.300 -0.010 0.000 0.992 339 D CA 1.554 55.580 54.000 0.043 0.000 0.833 339 D CB -0.252 40.563 40.800 0.025 0.000 0.954 339 D HN 0.489 nan 8.370 nan 0.000 0.455 340 Y N -0.527 119.632 120.300 -0.235 0.000 2.114 340 Y HA -0.140 4.407 4.550 -0.004 0.000 0.284 340 Y C 1.721 177.499 175.900 -0.205 0.000 1.143 340 Y CA 1.755 59.661 58.100 -0.323 0.000 1.135 340 Y CB -0.668 37.434 38.460 -0.597 0.000 0.980 340 Y HN 0.089 nan 8.280 nan 0.000 0.499 341 W N 0.291 121.579 121.300 -0.020 0.000 2.425 341 W HA -0.097 4.561 4.660 -0.004 0.000 0.277 341 W C 2.526 178.975 176.519 -0.117 0.000 1.231 341 W CA 1.338 58.627 57.345 -0.093 0.000 1.248 341 W CB -0.435 29.073 29.460 0.080 0.000 1.117 341 W HN 0.251 nan 8.180 nan 0.000 0.568 342 S N 0.190 115.968 115.700 0.130 0.000 2.605 342 S HA 0.098 4.566 4.470 -0.004 0.000 0.217 342 S C 0.606 175.204 174.600 -0.003 0.000 0.958 342 S CA -0.103 58.139 58.200 0.069 0.000 0.919 342 S CB -0.513 62.734 63.200 0.079 0.000 0.780 342 S HN 0.292 nan 8.310 nan 0.000 0.507 343 K N 1.058 121.410 120.400 -0.080 0.000 3.311 343 K HA -0.197 4.121 4.320 -0.004 0.000 0.270 343 K C 0.926 177.509 176.600 -0.028 0.000 0.927 343 K CA 0.319 56.552 56.287 -0.089 0.000 0.706 343 K CB -2.383 30.067 32.500 -0.083 0.000 1.418 343 K HN 0.979 nan 8.250 nan 0.000 0.459 344 G N -0.085 108.710 108.800 -0.009 0.000 2.168 344 G HA2 -0.346 3.612 3.960 -0.004 0.000 0.263 344 G HA3 -0.346 3.612 3.960 -0.004 0.000 0.263 344 G C 0.718 175.632 174.900 0.024 0.000 0.977 344 G CA 0.632 45.744 45.100 0.020 0.000 0.659 344 G HN 0.421 nan 8.290 nan 0.000 0.533 345 Q N -0.780 119.031 119.800 0.019 0.000 2.354 345 Q HA 0.326 4.663 4.340 -0.004 0.000 0.203 345 Q C 1.410 177.419 176.000 0.015 0.000 0.933 345 Q CA 0.761 56.574 55.803 0.017 0.000 0.901 345 Q CB 0.367 29.114 28.738 0.014 0.000 1.007 345 Q HN 0.670 nan 8.270 nan 0.000 0.495 346 L N 1.006 122.242 121.223 0.022 0.000 2.346 346 L HA 0.431 4.769 4.340 -0.004 0.000 0.274 346 L C -0.400 176.474 176.870 0.007 0.000 1.007 346 L CA -0.712 54.131 54.840 0.006 0.000 0.818 346 L CB 1.884 43.958 42.059 0.026 0.000 1.284 346 L HN -0.263 nan 8.230 nan 0.000 0.424 347 K N 1.981 122.340 120.400 -0.069 0.000 2.235 347 K HA 0.637 4.954 4.320 -0.004 0.000 0.266 347 K C -0.412 176.145 176.600 -0.072 0.000 0.980 347 K CA -0.615 55.634 56.287 -0.064 0.000 0.849 347 K CB 2.042 34.388 32.500 -0.255 0.000 1.098 347 K HN 0.642 nan 8.250 nan 0.000 0.445 348 A N 4.612 127.472 122.820 0.066 0.000 2.491 348 A HA 0.199 4.517 4.320 -0.004 0.000 0.261 348 A C -0.170 177.227 177.584 -0.312 0.000 1.101 348 A CA -0.147 51.891 52.037 0.001 0.000 0.772 348 A CB -0.270 18.686 19.000 -0.073 0.000 1.043 348 A HN 0.671 nan 8.150 nan 0.000 0.501 349 L N 2.254 123.187 121.223 -0.485 0.000 2.334 349 L HA 0.730 5.068 4.340 -0.004 0.000 0.275 349 L C -0.701 175.661 176.870 -0.846 0.000 1.036 349 L CA -0.394 54.109 54.840 -0.561 0.000 0.807 349 L CB 1.332 43.099 42.059 -0.487 0.000 1.231 349 L HN 0.687 nan 8.230 nan 0.000 0.438 350 F N 1.555 121.304 119.950 -0.335 0.000 2.629 350 F HA 0.664 5.188 4.527 -0.004 0.000 0.316 350 F C -0.468 175.030 175.800 -0.502 0.000 1.081 350 F CA -0.738 56.995 58.000 -0.445 0.000 0.954 350 F CB 1.840 40.410 39.000 -0.717 0.000 1.337 350 F HN 0.118 nan 8.300 nan 0.000 0.474 351 L N 1.515 122.763 121.223 0.042 0.000 2.385 351 L HA 0.424 4.762 4.340 -0.004 0.000 0.273 351 L C 0.818 177.877 176.870 0.316 0.000 0.990 351 L CA -0.762 54.211 54.840 0.221 0.000 0.821 351 L CB 2.032 44.318 42.059 0.379 0.000 1.279 351 L HN 0.631 nan 8.230 nan 0.000 0.412 352 E N 0.613 121.033 120.200 0.366 0.000 2.085 352 E HA -0.200 4.148 4.350 -0.004 0.000 0.194 352 E C 0.854 177.363 176.600 -0.151 0.000 0.994 352 E CA 1.684 58.200 56.400 0.192 0.000 0.801 352 E CB 0.023 29.830 29.700 0.178 0.000 0.743 352 E HN 0.587 nan 8.360 nan 0.000 0.453 353 H N 0.436 119.368 119.070 -0.230 0.000 2.555 353 H HA 0.094 4.648 4.556 -0.004 0.000 0.283 353 H C 0.319 175.120 175.328 -0.878 0.000 1.037 353 H CA -0.105 55.595 56.048 -0.579 0.000 1.169 353 H CB 0.023 29.391 29.762 -0.657 0.000 1.375 353 H HN -0.039 nan 8.280 nan 0.000 0.582 354 E N 0.608 120.539 120.200 -0.449 0.000 2.465 354 E HA 0.053 4.400 4.350 -0.004 0.000 0.260 354 E C 1.157 177.577 176.600 -0.299 0.000 0.980 354 E CA 1.054 57.244 56.400 -0.349 0.000 0.927 354 E CB 0.484 30.213 29.700 0.048 0.000 0.934 354 E HN 0.704 nan 8.360 nan 0.000 0.459 355 G N 4.445 113.070 108.800 -0.291 0.000 2.339 355 G HA2 -0.297 3.661 3.960 -0.004 0.000 0.209 355 G HA3 -0.297 3.661 3.960 -0.004 0.000 0.209 355 G C 0.696 175.312 174.900 -0.474 0.000 1.015 355 G CA 0.179 45.089 45.100 -0.316 0.000 0.635 355 G HN 0.552 nan 8.290 nan 0.000 0.499 356 Y N 0.434 120.549 120.300 -0.308 0.000 2.467 356 Y HA 0.452 5.000 4.550 -0.003 0.000 0.250 356 Y C 2.180 178.075 175.900 -0.009 0.000 1.155 356 Y CA -0.272 57.750 58.100 -0.130 0.000 1.249 356 Y CB 0.115 38.480 38.460 -0.158 0.000 1.146 356 Y HN 0.218 nan 8.280 nan 0.000 0.524 357 F N -0.244 119.811 119.950 0.174 0.000 2.134 357 F HA -0.112 4.413 4.527 -0.004 0.000 0.299 357 F C 2.419 178.292 175.800 0.123 0.000 1.097 357 F CA 1.309 59.393 58.000 0.140 0.000 1.264 357 F CB -1.195 37.851 39.000 0.077 0.000 1.001 357 F HN 0.055 nan 8.300 nan 0.000 0.479 358 G N -0.411 108.541 108.800 0.254 0.000 2.440 358 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.218 358 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.218 358 G C 1.935 176.941 174.900 0.176 0.000 1.154 358 G CA 1.024 46.223 45.100 0.166 0.000 0.767 358 G HN 0.473 nan 8.290 nan 0.000 0.552 359 A N 0.068 123.014 122.820 0.210 0.000 1.902 359 A HA 0.059 4.377 4.320 -0.004 0.000 0.217 359 A C 2.620 180.369 177.584 0.276 0.000 1.181 359 A CA 1.910 54.100 52.037 0.256 0.000 0.623 359 A CB -0.667 18.543 19.000 0.349 0.000 0.818 359 A HN 0.271 nan 8.150 nan 0.000 0.443 360 V N -0.073 120.039 119.914 0.331 0.000 2.343 360 V HA -0.178 3.940 4.120 -0.004 0.000 0.247 360 V C 2.830 179.026 176.094 0.169 0.000 1.051 360 V CA 1.958 64.427 62.300 0.281 0.000 1.036 360 V CB -1.479 30.580 31.823 0.393 0.000 0.654 360 V HN 0.615 nan 8.190 nan 0.000 0.451 361 G N -0.373 108.531 108.800 0.174 0.000 2.442 361 G HA2 -0.228 3.730 3.960 -0.004 0.000 0.219 361 G HA3 -0.228 3.730 3.960 -0.004 0.000 0.219 361 G C 1.758 176.713 174.900 0.091 0.000 1.141 361 G CA 1.073 46.237 45.100 0.108 0.000 0.763 361 G HN 0.614 nan 8.290 nan 0.000 0.554 362 A N 0.435 123.322 122.820 0.112 0.000 1.933 362 A HA 0.080 4.397 4.320 -0.004 0.000 0.218 362 A C 2.366 179.997 177.584 0.079 0.000 1.175 362 A CA 1.454 53.551 52.037 0.100 0.000 0.628 362 A CB -0.397 18.674 19.000 0.119 0.000 0.814 362 A HN 0.428 nan 8.150 nan 0.000 0.444 363 L N -0.541 120.741 121.223 0.099 0.000 2.046 363 L HA -0.120 4.218 4.340 -0.004 0.000 0.208 363 L C 2.253 179.146 176.870 0.038 0.000 1.077 363 L CA 1.385 56.269 54.840 0.073 0.000 0.747 363 L CB -0.219 41.918 42.059 0.131 0.000 0.896 363 L HN 0.409 nan 8.230 nan 0.000 0.432 364 L N -0.407 120.834 121.223 0.029 0.000 2.275 364 L HA -0.077 4.261 4.340 -0.004 0.000 0.215 364 L C 2.058 178.969 176.870 0.070 0.000 1.119 364 L CA 0.840 55.716 54.840 0.060 0.000 0.790 364 L CB -0.777 41.245 42.059 -0.061 0.000 0.919 364 L HN 0.378 nan 8.230 nan 0.000 0.443 365 G N -0.279 108.538 108.800 0.029 0.000 3.383 365 G HA2 0.235 4.193 3.960 -0.004 0.000 0.251 365 G HA3 0.235 4.193 3.960 -0.004 0.000 0.251 365 G C 0.509 175.383 174.900 -0.044 0.000 1.203 365 G CA -0.436 44.671 45.100 0.012 0.000 0.852 365 G HN 0.070 nan 8.290 nan 0.000 0.531 366 L N 1.230 122.381 121.223 -0.120 0.000 2.490 366 L HA 0.166 4.504 4.340 -0.004 0.000 0.274 366 L C -1.687 175.057 176.870 -0.210 0.000 1.201 366 L CA -1.441 53.286 54.840 -0.188 0.000 0.869 366 L CB 0.549 42.429 42.059 -0.299 0.000 1.123 366 L HN -0.015 nan 8.230 nan 0.000 0.484 367 P HA -0.048 nan 4.420 nan 0.000 0.261 367 P C -1.302 175.880 177.300 -0.196 0.000 1.173 367 P CA 0.174 63.180 63.100 -0.156 0.000 0.760 367 P CB 0.233 31.866 31.700 -0.112 0.000 0.783 368 N N 0.000 118.588 118.700 -0.187 0.000 1.763 368 N HA 0.000 4.738 4.740 -0.004 0.000 0.220 368 N CA 0.000 52.930 53.050 -0.200 0.000 0.885 368 N CB 0.000 38.344 38.487 -0.238 0.000 1.341 368 N HN 0.000 nan 8.380 nan 0.000 0.667