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 2ohy_1_A DATA FIRST_RESID 12 DATA SEQUENCE PVSVDGETLT VEAVRRVAEE RATVDVPAES IAKAQKSREI FEGIAEQNIP DATA SEQUENCE IYGVTTGYGE MIYMQVDKSK EVELQTNLVR SHSAGVGPLF AEDEARAIVA DATA SEQUENCE ARLNTLAKGH SAVRPIILER LAQYLNEGIT PAIPEIGSLG XXXDLAPLSH DATA SEQUENCE VASTLIGEGY VLRDGRPVET AQVLAERGIE PLELRFKEGL ALINGTSGMT DATA SEQUENCE GLGSLVVGRA LEQAQQAEIV TALLIEAVRG STSPFLAEGH DIARPHEGQI DATA SEQUENCE DTAANMRALM RGSGLTVEHA DLRRELQKDK EAGKDVQRSE IYLQKAYSLR DATA SEQUENCE AIPQVVGAVR DTLYHARHKL RIELNSANDN PLFFEGKEIF HGANFHGQPI DATA SEQUENCE AFAMDFVTIA LTQLGVLAER QINRVLNRHL SYGLPEFLVS GDPGLHSGFA DATA SEQUENCE GAQYPATALV AENRTIGPAS TQSVPSNGDN QDVVSMGLIS ARNARRVLSN DATA SEQUENCE NNKILAVEYL AAAQAVDISG RFDGLSPAAK ATYEAVRRLV PTLGVDRYMA DATA SEQUENCE DDIELVADAL SRGEFLRAIA RETDIQLR 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.303 177.300 0.005 0.000 1.155 12 P CA 0.000 63.103 63.100 0.005 0.000 0.800 12 P CB 0.000 31.703 31.700 0.004 0.000 0.726 13 V N 1.109 121.026 119.914 0.006 0.000 2.450 13 V HA 0.240 4.361 4.120 0.002 0.000 0.281 13 V C 0.878 176.974 176.094 0.004 0.000 1.019 13 V CA 0.151 62.454 62.300 0.006 0.000 1.062 13 V CB 1.159 32.986 31.823 0.007 0.000 0.979 13 V HN 0.723 nan 8.190 nan 0.000 0.477 14 S N 5.262 120.964 115.700 0.004 0.000 2.422 14 S HA 0.286 4.758 4.470 0.002 0.000 0.283 14 S C -0.222 174.379 174.600 0.002 0.000 1.163 14 S CA -0.619 57.582 58.200 0.002 0.000 1.054 14 S CB 0.456 63.658 63.200 0.003 0.000 0.967 14 S HN 0.513 nan 8.310 nan 0.000 0.499 15 V N 6.514 126.428 119.914 -0.000 0.000 2.267 15 V HA 0.219 4.340 4.120 0.002 0.000 0.254 15 V C 0.297 176.388 176.094 -0.004 0.000 1.144 15 V CA -0.394 61.905 62.300 -0.002 0.000 0.992 15 V CB 0.372 32.193 31.823 -0.004 0.000 1.199 15 V HN 0.953 nan 8.190 nan 0.000 0.493 16 D N 1.954 122.353 120.400 -0.001 0.000 2.440 16 D HA 0.190 4.832 4.640 0.002 0.000 0.216 16 D C 1.525 177.827 176.300 0.003 0.000 1.150 16 D CA 0.325 54.325 54.000 -0.002 0.000 0.832 16 D CB 0.452 41.253 40.800 0.001 0.000 0.992 16 D HN 0.544 nan 8.370 nan 0.000 0.502 17 G N 0.328 109.132 108.800 0.007 0.000 2.180 17 G HA2 -0.346 3.615 3.960 0.002 0.000 0.263 17 G HA3 -0.346 3.615 3.960 0.002 0.000 0.263 17 G C 0.842 175.758 174.900 0.028 0.000 0.989 17 G CA 0.954 46.065 45.100 0.017 0.000 0.692 17 G HN 0.414 nan 8.290 nan 0.000 0.526 18 E N -1.761 118.453 120.200 0.022 0.000 2.475 18 E HA 0.062 4.413 4.350 0.002 0.000 0.205 18 E C 2.121 178.734 176.600 0.022 0.000 0.822 18 E CA 1.399 57.815 56.400 0.027 0.000 1.240 18 E CB -0.189 29.526 29.700 0.026 0.000 1.222 18 E HN 0.730 nan 8.360 nan 0.000 0.581 19 T N -0.703 113.860 114.554 0.016 0.000 3.132 19 T HA 0.287 4.639 4.350 0.002 0.000 0.274 19 T C 0.606 175.314 174.700 0.013 0.000 1.011 19 T CA -0.398 61.711 62.100 0.015 0.000 0.899 19 T CB -0.116 68.759 68.868 0.012 0.000 1.089 19 T HN -0.121 nan 8.240 nan 0.000 0.543 20 L N 4.388 125.618 121.223 0.013 0.000 2.540 20 L HA 0.413 4.754 4.340 0.002 0.000 0.276 20 L C 0.488 177.367 176.870 0.014 0.000 1.212 20 L CA 0.749 55.596 54.840 0.011 0.000 0.893 20 L CB 0.537 42.602 42.059 0.009 0.000 1.138 20 L HN 0.518 nan 8.230 nan 0.000 0.491 21 T N 1.136 115.699 114.554 0.014 0.000 2.950 21 T HA 0.424 4.776 4.350 0.002 0.000 0.288 21 T C 1.148 175.859 174.700 0.019 0.000 1.035 21 T CA -0.504 61.607 62.100 0.018 0.000 1.028 21 T CB 1.317 70.195 68.868 0.017 0.000 1.109 21 T HN 0.289 nan 8.240 nan 0.000 0.514 22 V N 0.987 120.916 119.914 0.026 0.000 2.287 22 V HA -0.105 4.016 4.120 0.002 0.000 0.248 22 V C 2.860 178.970 176.094 0.026 0.000 1.053 22 V CA 2.293 64.610 62.300 0.028 0.000 1.027 22 V CB -0.962 30.886 31.823 0.041 0.000 0.646 22 V HN 0.991 nan 8.190 nan 0.000 0.447 23 E N 0.245 120.462 120.200 0.027 0.000 2.110 23 E HA -0.151 4.200 4.350 0.002 0.000 0.193 23 E C 2.162 178.774 176.600 0.019 0.000 0.988 23 E CA 1.471 57.886 56.400 0.025 0.000 0.804 23 E CB -0.531 29.184 29.700 0.025 0.000 0.745 23 E HN 0.540 nan 8.360 nan 0.000 0.458 24 A N -0.065 122.765 122.820 0.016 0.000 1.858 24 A HA -0.173 4.148 4.320 0.002 0.000 0.216 24 A C 2.502 180.093 177.584 0.011 0.000 1.190 24 A CA 1.731 53.776 52.037 0.012 0.000 0.617 24 A CB -0.923 18.084 19.000 0.011 0.000 0.827 24 A HN 0.174 nan 8.150 nan 0.000 0.443 25 V N 0.108 120.028 119.914 0.011 0.000 2.324 25 V HA -0.339 3.782 4.120 0.002 0.000 0.250 25 V C 2.682 178.780 176.094 0.008 0.000 1.060 25 V CA 2.458 64.762 62.300 0.007 0.000 1.042 25 V CB -0.875 30.951 31.823 0.004 0.000 0.650 25 V HN 0.529 nan 8.190 nan 0.000 0.450 26 R N -0.500 120.008 120.500 0.013 0.000 2.073 26 R HA -0.128 4.213 4.340 0.002 0.000 0.234 26 R C 2.577 178.885 176.300 0.013 0.000 1.134 26 R CA 1.592 57.701 56.100 0.015 0.000 0.952 26 R CB -0.384 29.928 30.300 0.020 0.000 0.850 26 R HN 0.457 nan 8.270 nan 0.000 0.433 27 R N 0.126 120.634 120.500 0.013 0.000 2.096 27 R HA -0.157 4.184 4.340 0.002 0.000 0.240 27 R C 2.276 178.582 176.300 0.010 0.000 1.139 27 R CA 1.738 57.845 56.100 0.011 0.000 0.952 27 R CB -0.526 29.780 30.300 0.011 0.000 0.854 27 R HN 0.092 nan 8.270 nan 0.000 0.436 28 V N 0.441 120.361 119.914 0.010 0.000 2.427 28 V HA -0.223 3.898 4.120 0.002 0.000 0.248 28 V C 2.274 178.374 176.094 0.011 0.000 1.051 28 V CA 1.971 64.277 62.300 0.010 0.000 1.048 28 V CB -0.511 31.317 31.823 0.009 0.000 0.666 28 V HN 0.443 nan 8.190 nan 0.000 0.456 29 A N -0.451 122.374 122.820 0.009 0.000 1.861 29 A HA -0.084 4.237 4.320 0.002 0.000 0.212 29 A C 2.184 179.776 177.584 0.012 0.000 1.199 29 A CA 1.223 53.266 52.037 0.010 0.000 0.613 29 A CB -0.257 18.746 19.000 0.005 0.000 0.846 29 A HN 0.562 nan 8.150 nan 0.000 0.446 30 E N -0.215 119.993 120.200 0.013 0.000 2.086 30 E HA -0.063 4.288 4.350 0.002 0.000 0.190 30 E C 0.869 177.475 176.600 0.010 0.000 0.975 30 E CA 0.911 57.319 56.400 0.013 0.000 0.813 30 E CB -0.027 29.681 29.700 0.014 0.000 0.768 30 E HN 0.656 nan 8.360 nan 0.000 0.457 31 E N 0.657 120.862 120.200 0.010 0.000 2.437 31 E HA 0.106 4.457 4.350 0.002 0.000 0.195 31 E C -0.405 176.199 176.600 0.008 0.000 1.029 31 E CA -0.234 56.170 56.400 0.007 0.000 0.948 31 E CB 0.403 30.108 29.700 0.007 0.000 1.082 31 E HN 0.002 nan 8.360 nan 0.000 0.456 32 R N -0.547 119.959 120.500 0.009 0.000 3.701 32 R HA -0.214 4.127 4.340 0.002 0.000 0.276 32 R C -0.129 176.177 176.300 0.010 0.000 1.150 32 R CA 0.835 56.941 56.100 0.010 0.000 0.763 32 R CB -2.891 27.413 30.300 0.008 0.000 1.147 32 R HN 0.313 nan 8.270 nan 0.000 0.489 33 A N 0.467 123.293 122.820 0.010 0.000 2.561 33 A HA 0.199 4.520 4.320 0.002 0.000 0.234 33 A C 0.696 178.286 177.584 0.010 0.000 1.055 33 A CA 0.605 52.648 52.037 0.009 0.000 0.756 33 A CB 0.261 19.266 19.000 0.009 0.000 0.986 33 A HN 0.247 nan 8.150 nan 0.000 0.505 34 T N 1.130 115.689 114.554 0.010 0.000 2.913 34 T HA 0.397 4.748 4.350 0.002 0.000 0.297 34 T C 0.114 174.820 174.700 0.010 0.000 1.029 34 T CA 0.150 62.257 62.100 0.011 0.000 1.104 34 T CB 1.006 69.879 68.868 0.009 0.000 0.964 34 T HN 1.087 nan 8.240 nan 0.000 0.532 35 V N 2.031 121.951 119.914 0.011 0.000 2.715 35 V HA 0.749 4.870 4.120 0.002 0.000 0.310 35 V C -1.310 174.787 176.094 0.006 0.000 1.054 35 V CA -0.774 61.531 62.300 0.009 0.000 0.928 35 V CB 2.181 34.010 31.823 0.010 0.000 1.007 35 V HN 0.961 nan 8.190 nan 0.000 0.437 36 D N 3.362 123.764 120.400 0.003 0.000 2.879 36 D HA 0.541 5.182 4.640 0.002 0.000 0.236 36 D C -0.894 175.404 176.300 -0.003 0.000 1.171 36 D CA -0.350 53.650 54.000 0.000 0.000 0.868 36 D CB 2.404 43.205 40.800 0.001 0.000 1.598 36 D HN 0.693 nan 8.370 nan 0.000 0.497 37 V N 2.590 122.500 119.914 -0.007 0.000 2.364 37 V HA 0.631 4.752 4.120 0.002 0.000 0.272 37 V C -2.138 173.949 176.094 -0.011 0.000 1.036 37 V CA -1.649 60.644 62.300 -0.012 0.000 0.880 37 V CB 0.678 32.490 31.823 -0.018 0.000 0.991 37 V HN 0.486 nan 8.190 nan 0.000 0.460 38 P HA 0.123 nan 4.420 nan 0.000 0.268 38 P C 0.980 178.273 177.300 -0.011 0.000 1.205 38 P CA 0.386 63.481 63.100 -0.008 0.000 0.771 38 P CB 1.431 33.127 31.700 -0.006 0.000 0.858 39 A N 3.901 126.715 122.820 -0.009 0.000 1.971 39 A HA -0.283 4.038 4.320 0.002 0.000 0.222 39 A C 1.972 179.548 177.584 -0.013 0.000 1.182 39 A CA 2.194 54.225 52.037 -0.010 0.000 0.649 39 A CB -1.068 17.927 19.000 -0.007 0.000 0.818 39 A HN 0.582 nan 8.150 nan 0.000 0.458 40 E N 0.058 120.251 120.200 -0.011 0.000 2.007 40 E HA -0.114 4.238 4.350 0.002 0.000 0.194 40 E C 2.351 178.938 176.600 -0.021 0.000 0.999 40 E CA 1.585 57.978 56.400 -0.012 0.000 0.811 40 E CB -0.552 29.143 29.700 -0.008 0.000 0.762 40 E HN 0.528 nan 8.360 nan 0.000 0.450 41 S N 0.515 116.201 115.700 -0.023 0.000 2.365 41 S HA -0.173 4.298 4.470 0.002 0.000 0.225 41 S C 2.033 176.608 174.600 -0.041 0.000 1.039 41 S CA 1.162 59.341 58.200 -0.034 0.000 1.033 41 S CB -0.358 62.825 63.200 -0.028 0.000 0.887 41 S HN 0.256 nan 8.310 nan 0.000 0.447 42 I N 0.813 121.363 120.570 -0.033 0.000 2.614 42 I HA -0.165 4.007 4.170 0.002 0.000 0.258 42 I C 2.121 178.216 176.117 -0.036 0.000 1.189 42 I CA 0.777 62.056 61.300 -0.035 0.000 1.462 42 I CB -0.255 37.728 38.000 -0.027 0.000 1.092 42 I HN 0.289 nan 8.210 nan 0.000 0.442 43 A N 1.636 124.438 122.820 -0.031 0.000 1.850 43 A HA -0.162 4.159 4.320 0.002 0.000 0.212 43 A C 2.090 179.653 177.584 -0.035 0.000 1.208 43 A CA 1.278 53.299 52.037 -0.027 0.000 0.609 43 A CB -0.483 18.507 19.000 -0.018 0.000 0.860 43 A HN 0.518 nan 8.150 nan 0.000 0.448 44 K N 0.012 120.387 120.400 -0.041 0.000 2.611 44 K HA 0.342 4.663 4.320 0.002 0.000 0.193 44 K C 1.202 177.752 176.600 -0.084 0.000 1.026 44 K CA 0.773 57.028 56.287 -0.053 0.000 1.063 44 K CB -0.090 32.375 32.500 -0.059 0.000 0.839 44 K HN 0.286 nan 8.250 nan 0.000 0.505 45 A N 2.029 124.801 122.820 -0.079 0.000 1.909 45 A HA -0.125 4.196 4.320 0.002 0.000 0.209 45 A C 2.243 179.772 177.584 -0.093 0.000 1.247 45 A CA 0.387 52.365 52.037 -0.098 0.000 0.660 45 A CB -0.263 18.689 19.000 -0.080 0.000 0.910 45 A HN 0.483 nan 8.150 nan 0.000 0.465 46 Q N 0.512 120.274 119.800 -0.064 0.000 2.084 46 Q HA -0.190 4.151 4.340 0.002 0.000 0.202 46 Q C 1.762 177.728 176.000 -0.057 0.000 0.978 46 Q CA 1.646 57.419 55.803 -0.052 0.000 0.844 46 Q CB -0.473 28.245 28.738 -0.033 0.000 0.898 46 Q HN 0.587 nan 8.270 nan 0.000 0.426 47 K N 1.215 121.585 120.400 -0.051 0.000 1.978 47 K HA -0.108 4.214 4.320 0.002 0.000 0.214 47 K C 2.464 179.013 176.600 -0.084 0.000 1.049 47 K CA 1.744 58.008 56.287 -0.038 0.000 0.939 47 K CB -0.251 32.242 32.500 -0.012 0.000 0.721 47 K HN 0.133 nan 8.250 nan 0.000 0.441 48 S N 1.113 116.734 115.700 -0.132 0.000 2.372 48 S HA -0.235 4.236 4.470 0.002 0.000 0.227 48 S C 1.948 176.275 174.600 -0.455 0.000 1.044 48 S CA 1.787 59.785 58.200 -0.336 0.000 1.050 48 S CB -0.343 62.678 63.200 -0.299 0.000 0.901 48 S HN 0.237 nan 8.310 nan 0.000 0.447 49 R N 1.469 121.827 120.500 -0.237 0.000 2.105 49 R HA -0.082 4.259 4.340 0.002 0.000 0.239 49 R C 1.988 178.254 176.300 -0.056 0.000 1.135 49 R CA 1.817 57.848 56.100 -0.114 0.000 0.967 49 R CB -0.620 29.645 30.300 -0.059 0.000 0.861 49 R HN 0.520 nan 8.270 nan 0.000 0.442 50 E N -0.610 119.545 120.200 -0.074 0.000 2.007 50 E HA -0.166 4.185 4.350 0.002 0.000 0.194 50 E C 1.844 178.416 176.600 -0.045 0.000 0.999 50 E CA 1.799 58.175 56.400 -0.040 0.000 0.811 50 E CB -0.181 29.506 29.700 -0.022 0.000 0.762 50 E HN 0.197 nan 8.360 nan 0.000 0.450 51 I N 0.398 120.942 120.570 -0.044 0.000 2.163 51 I HA -0.241 3.930 4.170 0.002 0.000 0.243 51 I C 2.064 178.185 176.117 0.006 0.000 1.085 51 I CA 1.089 62.418 61.300 0.048 0.000 1.347 51 I CB -0.546 37.624 38.000 0.283 0.000 1.044 51 I HN 0.156 nan 8.210 nan 0.000 0.408 52 F N 1.633 121.358 119.950 -0.374 0.000 2.065 52 F HA -0.278 4.250 4.527 0.002 0.000 0.298 52 F C 2.559 178.266 175.800 -0.155 0.000 1.112 52 F CA 2.136 59.961 58.000 -0.291 0.000 1.212 52 F CB -0.618 38.071 39.000 -0.517 0.000 0.975 52 F HN 0.122 nan 8.300 nan 0.000 0.476 53 E N -0.406 119.623 120.200 -0.284 0.000 2.219 53 E HA -0.183 4.168 4.350 0.002 0.000 0.198 53 E C 2.278 178.676 176.600 -0.337 0.000 0.998 53 E CA 0.900 57.100 56.400 -0.334 0.000 0.818 53 E CB -0.658 29.013 29.700 -0.048 0.000 0.741 53 E HN 0.587 nan 8.360 nan 0.000 0.477 54 G N -0.033 108.634 108.800 -0.221 0.000 2.650 54 G HA2 -0.110 3.851 3.960 0.002 0.000 0.214 54 G HA3 -0.110 3.851 3.960 0.002 0.000 0.214 54 G C 1.361 176.145 174.900 -0.192 0.000 1.136 54 G CA 0.112 45.121 45.100 -0.153 0.000 0.789 54 G HN 0.172 nan 8.290 nan 0.000 0.536 55 I N 0.542 120.930 120.570 -0.303 0.000 2.628 55 I HA 0.083 4.254 4.170 0.002 0.000 0.255 55 I C 3.093 178.963 176.117 -0.411 0.000 1.119 55 I CA 0.651 61.785 61.300 -0.276 0.000 1.448 55 I CB -0.069 37.808 38.000 -0.205 0.000 1.133 55 I HN 0.150 nan 8.210 nan 0.000 0.438 56 A N 0.882 123.263 122.820 -0.731 0.000 1.933 56 A HA -0.191 4.130 4.320 0.002 0.000 0.218 56 A C 2.190 179.417 177.584 -0.594 0.000 1.175 56 A CA 1.451 52.956 52.037 -0.886 0.000 0.628 56 A CB -0.425 17.553 19.000 -1.703 0.000 0.814 56 A HN 0.338 nan 8.150 nan 0.000 0.444 57 E N 0.368 120.312 120.200 -0.427 0.000 2.097 57 E HA -0.246 4.105 4.350 0.002 0.000 0.196 57 E C 1.909 178.430 176.600 -0.132 0.000 1.000 57 E CA 1.587 57.867 56.400 -0.201 0.000 0.804 57 E CB -0.515 29.106 29.700 -0.131 0.000 0.740 57 E HN 0.839 nan 8.360 nan 0.000 0.454 58 Q N 0.635 120.351 119.800 -0.140 0.000 2.541 58 Q HA -0.030 4.311 4.340 0.002 0.000 0.215 58 Q C 0.023 175.978 176.000 -0.075 0.000 0.977 58 Q CA -0.098 55.653 55.803 -0.087 0.000 0.934 58 Q CB -0.196 28.496 28.738 -0.078 0.000 0.988 58 Q HN 0.143 nan 8.270 nan 0.000 0.521 59 N N 1.144 119.784 118.700 -0.099 0.000 2.714 59 N HA -0.172 4.569 4.740 0.002 0.000 0.253 59 N C -0.773 174.707 175.510 -0.050 0.000 1.024 59 N CA 0.857 53.868 53.050 -0.065 0.000 0.726 59 N CB -1.171 37.301 38.487 -0.024 0.000 0.908 59 N HN 0.546 nan 8.380 nan 0.000 0.542 60 I N -2.648 117.883 120.570 -0.065 0.000 2.676 60 I HA 0.639 4.810 4.170 0.002 0.000 0.309 60 I C -2.139 173.969 176.117 -0.015 0.000 0.990 60 I CA -2.279 59.001 61.300 -0.033 0.000 1.168 60 I CB 1.411 39.394 38.000 -0.029 0.000 1.343 60 I HN -0.206 nan 8.210 nan 0.000 0.482 61 P HA 0.273 nan 4.420 nan 0.000 0.263 61 P C -0.963 176.387 177.300 0.084 0.000 1.195 61 P CA 0.520 63.638 63.100 0.030 0.000 0.762 61 P CB 0.217 31.927 31.700 0.017 0.000 0.799 62 I N 3.421 124.064 120.570 0.121 0.000 2.590 62 I HA 0.122 4.294 4.170 0.002 0.000 0.283 62 I C -0.429 175.807 176.117 0.200 0.000 1.154 62 I CA -1.084 60.361 61.300 0.242 0.000 1.067 62 I CB 1.114 39.232 38.000 0.197 0.000 1.243 62 I HN 0.273 nan 8.210 nan 0.000 0.451 63 Y N 6.051 126.474 120.300 0.204 0.000 2.987 63 Y HA 0.108 4.660 4.550 0.003 0.000 0.339 63 Y C 1.509 177.369 175.900 -0.066 0.000 1.272 63 Y CA 2.137 60.260 58.100 0.039 0.000 1.562 63 Y CB 0.572 39.085 38.460 0.089 0.000 1.253 63 Y HN 0.879 nan 8.280 nan 0.000 0.604 64 G N 2.804 110.863 108.800 -1.234 0.000 2.480 64 G HA2 -0.371 3.590 3.960 0.002 0.000 0.246 64 G HA3 -0.371 3.590 3.960 0.002 0.000 0.246 64 G C 0.867 175.536 174.900 -0.384 0.000 1.073 64 G CA 0.805 45.278 45.100 -1.044 0.000 0.643 64 G HN 0.783 nan 8.290 nan 0.000 0.525 65 V N 0.870 120.710 119.914 -0.124 0.000 2.374 65 V HA 0.177 4.298 4.120 0.002 0.000 0.241 65 V C 2.221 178.363 176.094 0.081 0.000 1.034 65 V CA 2.744 65.111 62.300 0.110 0.000 1.037 65 V CB -0.038 31.935 31.823 0.249 0.000 0.682 65 V HN 1.076 nan 8.190 nan 0.000 0.463 66 T N -1.697 112.855 114.554 -0.003 0.000 3.380 66 T HA 0.394 4.745 4.350 0.002 0.000 0.289 66 T C 0.048 174.710 174.700 -0.064 0.000 1.012 66 T CA 0.302 62.400 62.100 -0.003 0.000 0.944 66 T CB -0.000 68.875 68.868 0.012 0.000 1.172 66 T HN 0.556 nan 8.240 nan 0.000 0.502 67 T N -2.508 111.938 114.554 -0.180 0.000 2.778 67 T HA 0.801 5.153 4.350 0.002 0.000 0.293 67 T C 0.436 174.905 174.700 -0.385 0.000 1.144 67 T CA -0.440 61.532 62.100 -0.213 0.000 1.010 67 T CB 1.292 70.073 68.868 -0.145 0.000 1.325 67 T HN 0.305 nan 8.240 nan 0.000 0.515 68 G N -0.870 107.741 108.800 -0.315 0.000 2.588 68 G HA2 0.553 4.514 3.960 0.002 0.000 0.281 68 G HA3 0.553 4.514 3.960 0.002 0.000 0.281 68 G C -1.442 173.187 174.900 -0.453 0.000 1.236 68 G CA -0.732 44.186 45.100 -0.304 0.000 0.969 68 G HN 0.623 nan 8.290 nan 0.000 0.504 69 Y N -0.548 119.690 120.300 -0.104 0.000 2.420 69 Y HA 0.503 5.054 4.550 0.002 0.000 0.334 69 Y C 1.225 177.211 175.900 0.143 0.000 1.094 69 Y CA 0.532 58.622 58.100 -0.018 0.000 1.126 69 Y CB 1.672 40.092 38.460 -0.067 0.000 1.217 69 Y HN 1.134 nan 8.280 nan 0.000 0.462 70 G N 1.920 110.980 108.800 0.434 0.000 2.622 70 G HA2 -0.477 3.484 3.960 0.002 0.000 0.307 70 G HA3 -0.477 3.484 3.960 0.002 0.000 0.307 70 G C 1.071 176.091 174.900 0.199 0.000 1.226 70 G CA 0.919 46.173 45.100 0.256 0.000 0.997 70 G HN 0.757 nan 8.290 nan 0.000 0.551 71 E N 0.269 120.568 120.200 0.165 0.000 2.418 71 E HA 0.164 4.515 4.350 0.002 0.000 0.197 71 E C 2.298 179.015 176.600 0.196 0.000 1.026 71 E CA 1.679 58.194 56.400 0.191 0.000 0.862 71 E CB -0.151 29.661 29.700 0.186 0.000 0.799 71 E HN 0.445 nan 8.360 nan 0.000 0.518 72 M N 0.128 119.744 119.600 0.028 0.000 2.563 72 M HA 0.256 4.737 4.480 0.002 0.000 0.231 72 M C 1.336 177.402 176.300 -0.391 0.000 1.136 72 M CA 0.143 55.232 55.300 -0.351 0.000 1.026 72 M CB 0.026 32.519 32.600 -0.178 0.000 1.597 72 M HN 0.271 nan 8.290 nan 0.000 0.495 73 I N 0.129 120.661 120.570 -0.063 0.000 2.800 73 I HA -0.295 3.877 4.170 0.002 0.000 0.266 73 I C 1.468 177.585 176.117 -0.000 0.000 1.249 73 I CA 1.289 62.606 61.300 0.030 0.000 1.458 73 I CB -0.026 38.111 38.000 0.228 0.000 1.093 73 I HN 0.499 nan 8.210 nan 0.000 0.466 74 Y N -0.955 119.380 120.300 0.058 0.000 2.457 74 Y HA 0.135 4.686 4.550 0.002 0.000 0.292 74 Y C 1.109 177.026 175.900 0.028 0.000 1.125 74 Y CA -0.283 57.841 58.100 0.039 0.000 1.254 74 Y CB -0.771 37.710 38.460 0.035 0.000 1.012 74 Y HN -0.047 nan 8.280 nan 0.000 0.555 75 M N 3.216 122.609 119.600 -0.344 0.000 2.194 75 M HA 0.121 4.603 4.480 0.002 0.000 0.347 75 M C -0.481 175.768 176.300 -0.086 0.000 1.439 75 M CA -0.149 55.048 55.300 -0.172 0.000 1.131 75 M CB 0.439 32.879 32.600 -0.267 0.000 1.733 75 M HN 0.304 nan 8.290 nan 0.000 0.467 76 Q N 2.753 122.543 119.800 -0.016 0.000 2.261 76 Q HA 0.554 4.895 4.340 0.002 0.000 0.252 76 Q C -0.671 175.320 176.000 -0.015 0.000 0.915 76 Q CA -0.337 55.459 55.803 -0.012 0.000 0.915 76 Q CB 1.655 30.401 28.738 0.014 0.000 1.204 76 Q HN 0.469 nan 8.270 nan 0.000 0.421 77 V N 2.319 122.223 119.914 -0.017 0.000 2.443 77 V HA 0.141 4.262 4.120 0.002 0.000 0.293 77 V C 0.031 176.139 176.094 0.022 0.000 1.021 77 V CA -1.017 61.282 62.300 -0.002 0.000 0.848 77 V CB 1.898 33.714 31.823 -0.012 0.000 0.998 77 V HN 0.722 nan 8.190 nan 0.000 0.424 78 D N 4.083 124.499 120.400 0.028 0.000 2.414 78 D HA 0.024 4.665 4.640 0.002 0.000 0.242 78 D C 1.332 177.677 176.300 0.075 0.000 1.129 78 D CA -0.177 53.848 54.000 0.040 0.000 0.885 78 D CB 1.320 42.138 40.800 0.030 0.000 1.198 78 D HN 0.767 nan 8.370 nan 0.000 0.437 79 K N 0.857 121.324 120.400 0.111 0.000 2.228 79 K HA -0.207 4.115 4.320 0.002 0.000 0.205 79 K C 1.446 178.139 176.600 0.156 0.000 1.045 79 K CA 1.760 58.189 56.287 0.235 0.000 0.931 79 K CB -0.299 32.346 32.500 0.240 0.000 0.727 79 K HN 0.288 nan 8.250 nan 0.000 0.458 80 S N 0.171 115.916 115.700 0.075 0.000 2.595 80 S HA 0.021 4.492 4.470 0.002 0.000 0.235 80 S C 0.806 175.401 174.600 -0.008 0.000 0.974 80 S CA 0.282 58.498 58.200 0.026 0.000 0.942 80 S CB 0.034 63.245 63.200 0.020 0.000 0.766 80 S HN 0.236 nan 8.310 nan 0.000 0.536 81 K N 0.978 121.375 120.400 -0.005 0.000 2.537 81 K HA 0.301 4.623 4.320 0.002 0.000 0.206 81 K C 1.062 177.620 176.600 -0.070 0.000 1.041 81 K CA -0.100 56.170 56.287 -0.027 0.000 1.090 81 K CB 0.156 32.656 32.500 -0.000 0.000 0.833 81 K HN 0.554 nan 8.250 nan 0.000 0.493 82 E N 0.852 120.953 120.200 -0.165 0.000 2.086 82 E HA -0.187 4.164 4.350 0.002 0.000 0.200 82 E C 1.299 177.731 176.600 -0.281 0.000 1.012 82 E CA 1.537 57.703 56.400 -0.389 0.000 0.812 82 E CB 0.319 29.485 29.700 -0.889 0.000 0.743 82 E HN -0.024 nan 8.360 nan 0.000 0.453 83 V N 0.517 120.305 119.914 -0.209 0.000 2.535 83 V HA -0.120 4.002 4.120 0.002 0.000 0.246 83 V C 2.246 178.286 176.094 -0.090 0.000 1.045 83 V CA 1.500 63.713 62.300 -0.144 0.000 1.058 83 V CB -0.263 31.486 31.823 -0.123 0.000 0.689 83 V HN 0.274 nan 8.190 nan 0.000 0.461 84 E N 0.057 120.214 120.200 -0.072 0.000 2.110 84 E HA -0.189 4.162 4.350 0.002 0.000 0.193 84 E C 2.295 178.878 176.600 -0.028 0.000 0.988 84 E CA 1.077 57.451 56.400 -0.045 0.000 0.804 84 E CB -0.003 29.678 29.700 -0.032 0.000 0.745 84 E HN 0.485 nan 8.360 nan 0.000 0.458 85 L N 0.771 121.988 121.223 -0.011 0.000 1.970 85 L HA -0.271 4.071 4.340 0.002 0.000 0.212 85 L C 2.657 179.543 176.870 0.026 0.000 1.071 85 L CA 1.378 56.248 54.840 0.050 0.000 0.751 85 L CB -0.356 41.756 42.059 0.088 0.000 0.889 85 L HN 0.241 nan 8.230 nan 0.000 0.432 86 Q N -0.777 119.023 119.800 0.001 0.000 2.096 86 Q HA -0.190 4.152 4.340 0.002 0.000 0.204 86 Q C 2.025 177.969 176.000 -0.093 0.000 0.982 86 Q CA 2.267 58.046 55.803 -0.040 0.000 0.850 86 Q CB -0.897 27.818 28.738 -0.039 0.000 0.901 86 Q HN 0.555 nan 8.270 nan 0.000 0.422 87 T N 1.571 116.079 114.554 -0.076 0.000 2.770 87 T HA -0.076 4.275 4.350 0.002 0.000 0.263 87 T C 1.620 176.271 174.700 -0.082 0.000 1.039 87 T CA 1.271 63.325 62.100 -0.078 0.000 1.142 87 T CB -0.250 68.580 68.868 -0.063 0.000 0.868 87 T HN 0.239 nan 8.240 nan 0.000 0.435 88 N N 1.367 120.025 118.700 -0.070 0.000 2.094 88 N HA -0.063 4.678 4.740 0.002 0.000 0.191 88 N C 1.655 177.108 175.510 -0.095 0.000 1.023 88 N CA 0.662 53.676 53.050 -0.060 0.000 0.857 88 N CB -0.730 37.738 38.487 -0.032 0.000 1.013 88 N HN 0.208 nan 8.380 nan 0.000 0.426 89 L N 0.620 121.718 121.223 -0.207 0.000 1.956 89 L HA -0.160 4.181 4.340 0.002 0.000 0.216 89 L C 1.937 178.658 176.870 -0.248 0.000 1.073 89 L CA 1.577 56.167 54.840 -0.417 0.000 0.762 89 L CB -0.838 40.736 42.059 -0.808 0.000 0.889 89 L HN -0.008 nan 8.230 nan 0.000 0.433 90 V N 0.177 119.964 119.914 -0.211 0.000 2.324 90 V HA -0.320 3.801 4.120 0.002 0.000 0.250 90 V C 2.759 178.809 176.094 -0.072 0.000 1.060 90 V CA 2.349 64.571 62.300 -0.130 0.000 1.042 90 V CB -0.839 30.917 31.823 -0.112 0.000 0.650 90 V HN 0.483 nan 8.190 nan 0.000 0.450 91 R N 0.644 121.103 120.500 -0.068 0.000 2.090 91 R HA -0.092 4.249 4.340 0.002 0.000 0.228 91 R C 2.508 178.789 176.300 -0.032 0.000 1.110 91 R CA 1.602 57.666 56.100 -0.061 0.000 0.973 91 R CB -0.507 29.758 30.300 -0.058 0.000 0.869 91 R HN 0.700 nan 8.270 nan 0.000 0.440 92 S N -0.281 115.425 115.700 0.010 0.000 2.489 92 S HA -0.058 4.413 4.470 0.002 0.000 0.228 92 S C 1.191 175.772 174.600 -0.032 0.000 0.995 92 S CA 0.729 58.932 58.200 0.005 0.000 0.934 92 S CB -0.116 63.095 63.200 0.019 0.000 0.771 92 S HN 0.371 nan 8.310 nan 0.000 0.522 93 H N 0.938 119.954 119.070 -0.089 0.000 2.575 93 H HA 0.436 4.993 4.556 0.002 0.000 0.267 93 H C 0.233 175.552 175.328 -0.015 0.000 0.966 93 H CA -0.115 55.898 56.048 -0.058 0.000 1.165 93 H CB 0.206 29.916 29.762 -0.087 0.000 1.433 93 H HN 0.269 nan 8.280 nan 0.000 0.544 94 S N 1.162 116.878 115.700 0.026 0.000 3.517 94 S HA 0.364 4.836 4.470 0.002 0.000 0.284 94 S C 0.674 175.337 174.600 0.104 0.000 1.260 94 S CA 0.142 58.294 58.200 -0.080 0.000 0.975 94 S CB -0.307 62.640 63.200 -0.421 0.000 1.540 94 S HN 0.485 nan 8.310 nan 0.000 0.506 95 A N 2.265 125.221 122.820 0.227 0.000 2.610 95 A HA 0.564 4.886 4.320 0.002 0.000 0.290 95 A C 0.817 178.488 177.584 0.146 0.000 1.001 95 A CA -0.449 51.681 52.037 0.155 0.000 1.004 95 A CB 0.076 19.097 19.000 0.035 0.000 1.220 95 A HN 0.639 nan 8.150 nan 0.000 0.507 96 G N 0.269 109.196 108.800 0.211 0.000 2.442 96 G HA2 0.508 4.469 3.960 0.002 0.000 0.249 96 G HA3 0.508 4.469 3.960 0.002 0.000 0.249 96 G C 0.149 175.001 174.900 -0.080 0.000 1.263 96 G CA 0.536 45.609 45.100 -0.045 0.000 0.846 96 G HN 1.197 nan 8.290 nan 0.000 0.555 97 V N 0.303 120.171 119.914 -0.077 0.000 3.155 97 V HA 1.039 5.160 4.120 0.002 0.000 0.313 97 V C 0.862 176.890 176.094 -0.110 0.000 1.162 97 V CA 0.134 62.386 62.300 -0.079 0.000 1.048 97 V CB 1.051 32.846 31.823 -0.046 0.000 1.092 97 V HN 2.414 nan 8.190 nan 0.000 0.447 98 G N 1.135 109.873 108.800 -0.103 0.000 2.615 98 G HA2 -0.034 3.928 3.960 0.002 0.000 0.218 98 G HA3 -0.034 3.928 3.960 0.002 0.000 0.218 98 G C -2.828 171.983 174.900 -0.149 0.000 1.339 98 G CA -0.229 44.798 45.100 -0.120 0.000 0.884 98 G HN 1.024 nan 8.290 nan 0.000 0.559 99 P HA 0.548 nan 4.420 nan 0.000 0.273 99 P C -0.029 177.129 177.300 -0.237 0.000 1.250 99 P CA -0.456 62.534 63.100 -0.183 0.000 0.793 99 P CB 0.346 31.936 31.700 -0.184 0.000 1.011 100 L N 0.883 122.001 121.223 -0.175 0.000 2.307 100 L HA 0.390 4.732 4.340 0.002 0.000 0.282 100 L C 0.400 177.209 176.870 -0.103 0.000 1.051 100 L CA -0.761 54.002 54.840 -0.127 0.000 0.804 100 L CB 0.273 42.300 42.059 -0.052 0.000 1.197 100 L HN 0.284 nan 8.230 nan 0.000 0.431 101 F N 1.380 121.311 119.950 -0.031 0.000 2.539 101 F HA 0.170 4.698 4.527 0.002 0.000 0.340 101 F C 1.138 176.933 175.800 -0.008 0.000 1.185 101 F CA 0.116 58.106 58.000 -0.016 0.000 1.333 101 F CB 0.569 39.563 39.000 -0.009 0.000 1.152 101 F HN 0.542 nan 8.300 nan 0.000 0.602 102 A N 2.119 125.074 122.820 0.225 0.000 2.346 102 A HA 0.136 4.457 4.320 0.002 0.000 0.252 102 A C 1.410 179.057 177.584 0.105 0.000 1.089 102 A CA -0.250 51.859 52.037 0.120 0.000 0.797 102 A CB 0.174 19.230 19.000 0.093 0.000 1.047 102 A HN 0.943 nan 8.150 nan 0.000 0.494 103 E N 0.016 120.255 120.200 0.066 0.000 2.065 103 E HA -0.306 4.045 4.350 0.002 0.000 0.201 103 E C 1.334 177.958 176.600 0.041 0.000 1.016 103 E CA 2.306 58.736 56.400 0.049 0.000 0.818 103 E CB -0.117 29.602 29.700 0.033 0.000 0.749 103 E HN 0.848 nan 8.360 nan 0.000 0.453 104 D N -0.037 120.385 120.400 0.038 0.000 2.144 104 D HA -0.200 4.441 4.640 0.002 0.000 0.199 104 D C 1.543 177.851 176.300 0.014 0.000 0.984 104 D CA 1.343 55.358 54.000 0.025 0.000 0.834 104 D CB -0.580 40.236 40.800 0.026 0.000 0.955 104 D HN 0.376 nan 8.370 nan 0.000 0.465 105 E N 0.582 120.800 120.200 0.031 0.000 2.047 105 E HA -0.068 4.284 4.350 0.002 0.000 0.191 105 E C 2.295 178.832 176.600 -0.106 0.000 0.987 105 E CA 1.169 57.556 56.400 -0.021 0.000 0.799 105 E CB -0.223 29.539 29.700 0.103 0.000 0.752 105 E HN 0.379 nan 8.360 nan 0.000 0.449 106 A N 1.356 124.166 122.820 -0.017 0.000 1.940 106 A HA -0.215 4.106 4.320 0.002 0.000 0.219 106 A C 2.070 179.639 177.584 -0.026 0.000 1.176 106 A CA 1.411 53.435 52.037 -0.021 0.000 0.631 106 A CB -0.392 18.648 19.000 0.067 0.000 0.814 106 A HN 0.063 nan 8.150 nan 0.000 0.446 107 R N -0.870 119.626 120.500 -0.006 0.000 2.075 107 R HA -0.028 4.313 4.340 0.002 0.000 0.232 107 R C 2.471 178.760 176.300 -0.018 0.000 1.126 107 R CA 1.113 57.215 56.100 0.002 0.000 0.963 107 R CB -0.378 29.930 30.300 0.013 0.000 0.858 107 R HN 0.507 nan 8.270 nan 0.000 0.435 108 A N 0.867 123.664 122.820 -0.038 0.000 1.972 108 A HA -0.134 4.187 4.320 0.002 0.000 0.219 108 A C 2.043 179.588 177.584 -0.065 0.000 1.169 108 A CA 1.140 53.151 52.037 -0.045 0.000 0.635 108 A CB -0.419 18.551 19.000 -0.051 0.000 0.810 108 A HN 0.206 nan 8.150 nan 0.000 0.446 109 I N -0.819 119.690 120.570 -0.101 0.000 2.163 109 I HA -0.186 3.985 4.170 0.002 0.000 0.240 109 I C 2.365 178.449 176.117 -0.055 0.000 1.081 109 I CA 1.036 62.270 61.300 -0.111 0.000 1.353 109 I CB -0.429 37.462 38.000 -0.180 0.000 1.054 109 I HN 0.142 nan 8.210 nan 0.000 0.407 110 V N 1.309 121.204 119.914 -0.031 0.000 2.282 110 V HA -0.353 3.768 4.120 0.002 0.000 0.249 110 V C 2.757 178.844 176.094 -0.011 0.000 1.057 110 V CA 2.177 64.474 62.300 -0.006 0.000 1.032 110 V CB -1.058 30.781 31.823 0.027 0.000 0.645 110 V HN 0.520 nan 8.190 nan 0.000 0.447 111 A N -0.151 122.663 122.820 -0.010 0.000 1.908 111 A HA -0.172 4.149 4.320 0.002 0.000 0.218 111 A C 2.428 180.004 177.584 -0.013 0.000 1.181 111 A CA 2.272 54.304 52.037 -0.008 0.000 0.627 111 A CB -0.832 18.165 19.000 -0.005 0.000 0.818 111 A HN 0.615 nan 8.150 nan 0.000 0.445 112 A N -0.655 122.153 122.820 -0.019 0.000 1.933 112 A HA -0.152 4.169 4.320 0.002 0.000 0.218 112 A C 2.190 179.765 177.584 -0.014 0.000 1.175 112 A CA 2.094 54.121 52.037 -0.018 0.000 0.628 112 A CB -0.397 18.587 19.000 -0.027 0.000 0.814 112 A HN 0.418 nan 8.150 nan 0.000 0.444 113 R N -0.740 119.750 120.500 -0.017 0.000 2.115 113 R HA 0.002 4.343 4.340 0.002 0.000 0.226 113 R C 1.853 178.141 176.300 -0.019 0.000 1.100 113 R CA 1.239 57.330 56.100 -0.015 0.000 0.980 113 R CB -0.807 29.482 30.300 -0.018 0.000 0.875 113 R HN 0.457 nan 8.270 nan 0.000 0.445 114 L N 0.536 121.746 121.223 -0.022 0.000 1.988 114 L HA -0.057 4.284 4.340 0.002 0.000 0.207 114 L C 1.730 178.589 176.870 -0.019 0.000 1.071 114 L CA 2.061 56.885 54.840 -0.026 0.000 0.744 114 L CB -1.042 41.002 42.059 -0.024 0.000 0.893 114 L HN 0.210 nan 8.230 nan 0.000 0.433 115 N N -1.358 117.335 118.700 -0.011 0.000 2.132 115 N HA -0.215 4.526 4.740 0.002 0.000 0.191 115 N C 1.643 177.153 175.510 0.000 0.000 1.015 115 N CA 2.031 55.078 53.050 -0.005 0.000 0.864 115 N CB -0.204 38.283 38.487 -0.001 0.000 1.006 115 N HN 0.473 nan 8.380 nan 0.000 0.430 116 T N 0.312 114.866 114.554 0.000 0.000 2.674 116 T HA -0.062 4.289 4.350 0.002 0.000 0.265 116 T C 1.753 176.457 174.700 0.005 0.000 1.039 116 T CA 1.099 63.205 62.100 0.010 0.000 1.150 116 T CB -0.308 68.566 68.868 0.010 0.000 0.864 116 T HN 0.195 nan 8.240 nan 0.000 0.427 117 L N 0.703 121.917 121.223 -0.014 0.000 2.465 117 L HA 0.104 4.445 4.340 0.002 0.000 0.224 117 L C 2.587 179.431 176.870 -0.042 0.000 1.145 117 L CA 0.452 55.272 54.840 -0.033 0.000 0.834 117 L CB -0.494 41.537 42.059 -0.046 0.000 0.944 117 L HN 0.222 nan 8.230 nan 0.000 0.451 118 A N -0.362 122.440 122.820 -0.030 0.000 2.251 118 A HA -0.067 4.254 4.320 0.002 0.000 0.209 118 A C 2.174 179.739 177.584 -0.032 0.000 1.187 118 A CA 0.478 52.494 52.037 -0.034 0.000 0.823 118 A CB -0.087 18.899 19.000 -0.024 0.000 0.846 118 A HN 0.160 nan 8.150 nan 0.000 0.486 119 K N -0.500 119.894 120.400 -0.011 0.000 2.155 119 K HA 0.084 4.405 4.320 0.002 0.000 0.203 119 K C 1.280 177.821 176.600 -0.099 0.000 1.052 119 K CA 1.597 57.899 56.287 0.024 0.000 0.948 119 K CB -0.255 32.318 32.500 0.122 0.000 0.728 119 K HN 0.778 nan 8.250 nan 0.000 0.448 120 G N -0.912 107.799 108.800 -0.149 0.000 2.213 120 G HA2 -0.243 3.718 3.960 0.002 0.000 0.226 120 G HA3 -0.243 3.718 3.960 0.002 0.000 0.226 120 G C 0.348 175.012 174.900 -0.394 0.000 0.992 120 G CA 0.422 45.347 45.100 -0.293 0.000 0.632 120 G HN 0.515 nan 8.290 nan 0.000 0.511 121 H N 0.645 119.639 119.070 -0.127 0.000 2.517 121 H HA 0.515 5.072 4.556 0.003 0.000 0.282 121 H C 2.066 177.287 175.328 -0.178 0.000 1.023 121 H CA 0.855 56.775 56.048 -0.213 0.000 1.169 121 H CB 0.666 30.179 29.762 -0.414 0.000 1.454 121 H HN 0.319 nan 8.280 nan 0.000 0.556 122 S N 0.361 116.010 115.700 -0.084 0.000 2.517 122 S HA 0.271 4.743 4.470 0.002 0.000 0.214 122 S C 1.411 175.846 174.600 -0.276 0.000 0.991 122 S CA 0.379 58.503 58.200 -0.127 0.000 0.906 122 S CB 0.289 63.437 63.200 -0.088 0.000 0.789 122 S HN 0.626 nan 8.310 nan 0.000 0.513 123 A N 1.046 123.677 122.820 -0.316 0.000 2.739 123 A HA -0.128 4.193 4.320 0.002 0.000 0.296 123 A C 0.184 177.547 177.584 -0.369 0.000 1.488 123 A CA 0.324 52.077 52.037 -0.474 0.000 0.746 123 A CB -2.286 16.174 19.000 -0.901 0.000 1.047 123 A HN 0.313 nan 8.150 nan 0.000 0.477 124 V N 0.284 120.068 119.914 -0.216 0.000 2.532 124 V HA 0.441 4.562 4.120 0.002 0.000 0.295 124 V C 1.172 177.214 176.094 -0.086 0.000 1.041 124 V CA -0.865 61.357 62.300 -0.130 0.000 0.926 124 V CB 1.575 33.335 31.823 -0.105 0.000 0.992 124 V HN 0.640 nan 8.190 nan 0.000 0.457 125 R N 4.047 124.521 120.500 -0.045 0.000 2.638 125 R HA 0.043 4.384 4.340 0.002 0.000 0.268 125 R C -1.632 174.638 176.300 -0.050 0.000 1.006 125 R CA -0.713 55.367 56.100 -0.034 0.000 1.088 125 R CB 0.132 30.422 30.300 -0.016 0.000 0.950 125 R HN 0.491 nan 8.270 nan 0.000 0.419 126 P HA -0.187 nan 4.420 nan 0.000 0.217 126 P C 0.875 178.147 177.300 -0.048 0.000 1.148 126 P CA 1.150 64.221 63.100 -0.048 0.000 0.828 126 P CB -0.056 31.620 31.700 -0.040 0.000 0.783 127 I N -4.700 115.844 120.570 -0.044 0.000 2.700 127 I HA -0.142 4.030 4.170 0.002 0.000 0.261 127 I C 1.786 177.861 176.117 -0.070 0.000 1.219 127 I CA 1.521 62.792 61.300 -0.049 0.000 1.463 127 I CB -1.148 36.828 38.000 -0.041 0.000 1.092 127 I HN -0.143 nan 8.210 nan 0.000 0.452 128 I N 0.584 121.110 120.570 -0.073 0.000 2.233 128 I HA -0.164 4.008 4.170 0.002 0.000 0.243 128 I C 2.365 178.423 176.117 -0.098 0.000 1.093 128 I CA 1.415 62.660 61.300 -0.092 0.000 1.380 128 I CB -0.899 37.053 38.000 -0.080 0.000 1.067 128 I HN 0.309 nan 8.210 nan 0.000 0.413 129 L N 0.604 121.781 121.223 -0.077 0.000 2.056 129 L HA -0.148 4.193 4.340 0.002 0.000 0.207 129 L C 2.429 179.259 176.870 -0.066 0.000 1.078 129 L CA 1.515 56.314 54.840 -0.068 0.000 0.749 129 L CB -0.873 41.153 42.059 -0.055 0.000 0.901 129 L HN 0.221 nan 8.230 nan 0.000 0.433 130 E N -0.559 119.605 120.200 -0.060 0.000 2.012 130 E HA -0.287 4.064 4.350 0.002 0.000 0.197 130 E C 2.336 178.897 176.600 -0.065 0.000 1.007 130 E CA 1.304 57.675 56.400 -0.049 0.000 0.816 130 E CB -0.174 29.503 29.700 -0.039 0.000 0.762 130 E HN 0.138 nan 8.360 nan 0.000 0.451 131 R N 1.007 121.446 120.500 -0.102 0.000 2.139 131 R HA -0.129 4.213 4.340 0.002 0.000 0.243 131 R C 2.086 178.217 176.300 -0.282 0.000 1.145 131 R CA 1.113 57.111 56.100 -0.170 0.000 0.976 131 R CB -0.551 29.613 30.300 -0.226 0.000 0.866 131 R HN 0.197 nan 8.270 nan 0.000 0.449 132 L N -0.801 120.284 121.223 -0.229 0.000 2.005 132 L HA -0.106 4.236 4.340 0.002 0.000 0.207 132 L C 2.382 179.217 176.870 -0.058 0.000 1.072 132 L CA 1.453 56.175 54.840 -0.197 0.000 0.744 132 L CB -0.610 41.375 42.059 -0.124 0.000 0.895 132 L HN 0.330 nan 8.230 nan 0.000 0.433 133 A N -0.749 122.051 122.820 -0.033 0.000 1.940 133 A HA -0.308 4.014 4.320 0.002 0.000 0.219 133 A C 2.224 179.837 177.584 0.047 0.000 1.176 133 A CA 1.997 54.038 52.037 0.008 0.000 0.631 133 A CB -0.626 18.372 19.000 -0.003 0.000 0.814 133 A HN 0.539 nan 8.150 nan 0.000 0.446 134 Q N -1.770 118.064 119.800 0.057 0.000 2.050 134 Q HA -0.230 4.111 4.340 0.002 0.000 0.202 134 Q C 1.884 178.013 176.000 0.215 0.000 0.980 134 Q CA 1.873 57.745 55.803 0.115 0.000 0.840 134 Q CB -0.315 28.496 28.738 0.121 0.000 0.898 134 Q HN 0.677 nan 8.270 nan 0.000 0.424 135 Y N 0.768 121.067 120.300 -0.003 0.000 2.114 135 Y HA -0.258 4.293 4.550 0.002 0.000 0.282 135 Y C 2.169 178.070 175.900 0.002 0.000 1.165 135 Y CA 1.156 59.256 58.100 0.001 0.000 1.148 135 Y CB -0.641 37.820 38.460 0.002 0.000 0.972 135 Y HN 0.161 nan 8.280 nan 0.000 0.504 136 L N -0.433 120.894 121.223 0.173 0.000 2.027 136 L HA -0.254 4.087 4.340 0.002 0.000 0.206 136 L C 1.922 178.828 176.870 0.059 0.000 1.074 136 L CA 1.700 56.593 54.840 0.089 0.000 0.745 136 L CB -0.621 41.475 42.059 0.061 0.000 0.898 136 L HN 0.246 nan 8.230 nan 0.000 0.433 137 N N -0.694 118.042 118.700 0.060 0.000 2.381 137 N HA -0.156 4.585 4.740 0.002 0.000 0.182 137 N C 1.185 176.714 175.510 0.031 0.000 1.025 137 N CA 0.655 53.728 53.050 0.039 0.000 0.888 137 N CB 0.161 38.670 38.487 0.036 0.000 0.965 137 N HN 0.399 nan 8.380 nan 0.000 0.438 138 E N -0.772 119.449 120.200 0.035 0.000 2.498 138 E HA 0.135 4.486 4.350 0.002 0.000 0.203 138 E C 0.630 177.223 176.600 -0.011 0.000 1.013 138 E CA -0.077 56.330 56.400 0.011 0.000 0.927 138 E CB 0.858 30.564 29.700 0.009 0.000 1.012 138 E HN 0.335 nan 8.360 nan 0.000 0.482 139 G N 2.363 111.160 108.800 -0.005 0.000 2.132 139 G HA2 -0.269 3.692 3.960 0.002 0.000 0.234 139 G HA3 -0.269 3.692 3.960 0.002 0.000 0.234 139 G C 0.036 174.907 174.900 -0.049 0.000 0.989 139 G CA 0.189 45.279 45.100 -0.017 0.000 0.676 139 G HN 0.262 nan 8.290 nan 0.000 0.522 140 I N 2.283 122.796 120.570 -0.095 0.000 2.282 140 I HA 0.600 4.771 4.170 0.002 0.000 0.290 140 I C 0.226 176.270 176.117 -0.120 0.000 1.090 140 I CA -0.479 60.703 61.300 -0.196 0.000 1.231 140 I CB 0.619 38.332 38.000 -0.477 0.000 1.434 140 I HN 0.028 nan 8.210 nan 0.000 0.487 141 T N 9.194 123.721 114.554 -0.045 0.000 2.767 141 T HA 0.448 4.800 4.350 0.002 0.000 0.288 141 T C -2.480 172.247 174.700 0.044 0.000 0.963 141 T CA -1.062 61.049 62.100 0.019 0.000 1.019 141 T CB 1.043 69.928 68.868 0.028 0.000 0.923 141 T HN 0.360 nan 8.240 nan 0.000 0.468 142 P HA 0.273 nan 4.420 nan 0.000 0.271 142 P C -0.978 176.396 177.300 0.124 0.000 1.218 142 P CA -0.449 62.725 63.100 0.123 0.000 0.780 142 P CB 0.425 32.218 31.700 0.155 0.000 0.901 143 A N 4.219 127.129 122.820 0.150 0.000 2.650 143 A HA 0.353 4.674 4.320 0.002 0.000 0.320 143 A C 0.008 177.672 177.584 0.134 0.000 1.466 143 A CA -0.369 51.747 52.037 0.130 0.000 1.099 143 A CB -1.047 18.034 19.000 0.136 0.000 1.136 143 A HN 0.453 nan 8.150 nan 0.000 0.532 144 I N 5.003 125.655 120.570 0.137 0.000 2.307 144 I HA 0.278 4.449 4.170 0.002 0.000 0.289 144 I C -2.068 174.104 176.117 0.092 0.000 1.021 144 I CA -2.176 59.207 61.300 0.139 0.000 1.224 144 I CB 1.723 39.870 38.000 0.244 0.000 1.376 144 I HN 0.406 nan 8.210 nan 0.000 0.470 145 P HA 0.127 nan 4.420 nan 0.000 0.275 145 P C -0.031 177.165 177.300 -0.173 0.000 1.227 145 P CA -0.163 62.810 63.100 -0.213 0.000 0.781 145 P CB 1.177 32.695 31.700 -0.304 0.000 0.906 146 E N 1.227 121.164 120.200 -0.439 0.000 2.208 146 E HA -0.009 4.342 4.350 0.002 0.000 0.193 146 E C 0.552 177.059 176.600 -0.155 0.000 0.988 146 E CA 0.712 56.756 56.400 -0.592 0.000 0.828 146 E CB 0.014 29.169 29.700 -0.909 0.000 0.763 146 E HN 0.486 nan 8.360 nan 0.000 0.478 147 I N -0.550 119.943 120.570 -0.128 0.000 2.460 147 I HA 0.314 4.486 4.170 0.002 0.000 0.298 147 I C 0.916 177.019 176.117 -0.024 0.000 0.989 147 I CA -0.092 61.174 61.300 -0.056 0.000 1.173 147 I CB 1.923 39.883 38.000 -0.067 0.000 1.338 147 I HN 0.132 nan 8.210 nan 0.000 0.456 148 G N 3.285 112.087 108.800 0.004 0.000 3.211 148 G HA2 -0.192 3.770 3.960 0.002 0.000 0.202 148 G HA3 -0.192 3.770 3.960 0.002 0.000 0.202 148 G C 0.303 175.219 174.900 0.028 0.000 1.035 148 G CA -0.033 45.077 45.100 0.016 0.000 0.846 148 G HN 0.580 nan 8.290 nan 0.000 0.464 149 S N 0.559 116.283 115.700 0.041 0.000 2.549 149 S HA 0.531 5.002 4.470 0.002 0.000 0.279 149 S C 1.269 175.880 174.600 0.018 0.000 1.321 149 S CA -0.244 57.978 58.200 0.037 0.000 1.054 149 S CB 0.685 63.916 63.200 0.053 0.000 0.899 149 S HN 0.359 nan 8.310 nan 0.000 0.497 150 L N 4.504 125.728 121.223 0.002 0.000 2.640 150 L HA 0.337 4.678 4.340 0.002 0.000 0.230 150 L C 1.391 178.234 176.870 -0.045 0.000 1.123 150 L CA 0.199 55.031 54.840 -0.013 0.000 0.900 150 L CB -0.859 41.192 42.059 -0.013 0.000 1.146 150 L HN 1.061 nan 8.230 nan 0.000 0.484 156 L N 0.632 121.874 121.223 0.032 0.000 1.971 156 L HA -0.231 4.110 4.340 0.002 0.000 0.215 156 L C 2.653 179.581 176.870 0.096 0.000 1.072 156 L CA 2.352 57.223 54.840 0.052 0.000 0.758 156 L CB -0.365 41.745 42.059 0.086 0.000 0.889 156 L HN 0.234 nan 8.230 nan 0.000 0.433 157 A N -0.031 122.859 122.820 0.118 0.000 1.858 157 A HA -0.117 4.205 4.320 0.002 0.000 0.216 157 A C 0.025 177.737 177.584 0.213 0.000 1.190 157 A CA 1.782 53.922 52.037 0.171 0.000 0.617 157 A CB -1.891 17.188 19.000 0.132 0.000 0.827 157 A HN 0.294 nan 8.150 nan 0.000 0.443 158 P HA -0.156 nan 4.420 nan 0.000 0.216 158 P C 1.346 178.731 177.300 0.142 0.000 1.153 158 P CA 1.039 64.222 63.100 0.138 0.000 0.858 158 P CB -0.147 31.630 31.700 0.129 0.000 0.789 159 L N -1.574 119.710 121.223 0.101 0.000 2.240 159 L HA -0.053 4.288 4.340 0.002 0.000 0.211 159 L C 2.222 179.141 176.870 0.081 0.000 1.106 159 L CA 1.094 55.975 54.840 0.070 0.000 0.793 159 L CB -0.846 41.233 42.059 0.033 0.000 0.927 159 L HN -0.043 nan 8.230 nan 0.000 0.446 160 S N -1.256 114.509 115.700 0.109 0.000 2.447 160 S HA -0.151 4.321 4.470 0.002 0.000 0.233 160 S C 1.704 176.335 174.600 0.050 0.000 1.006 160 S CA 0.893 59.131 58.200 0.065 0.000 0.957 160 S CB -0.231 63.019 63.200 0.083 0.000 0.773 160 S HN 0.484 nan 8.310 nan 0.000 0.507 161 H N -0.102 119.003 119.070 0.059 0.000 2.448 161 H HA 0.180 4.737 4.556 0.002 0.000 0.292 161 H C 1.985 177.360 175.328 0.077 0.000 1.035 161 H CA 0.804 56.899 56.048 0.080 0.000 1.349 161 H CB -0.057 29.767 29.762 0.103 0.000 1.425 161 H HN 0.135 nan 8.280 nan 0.000 0.539 162 V N 0.372 120.389 119.914 0.172 0.000 2.323 162 V HA -0.192 3.929 4.120 0.002 0.000 0.244 162 V C 2.491 178.627 176.094 0.070 0.000 1.041 162 V CA 1.592 63.964 62.300 0.119 0.000 1.025 162 V CB -0.879 30.992 31.823 0.080 0.000 0.656 162 V HN 0.540 nan 8.190 nan 0.000 0.451 163 A N -0.557 122.281 122.820 0.030 0.000 2.070 163 A HA -0.186 4.136 4.320 0.002 0.000 0.220 163 A C 2.435 180.009 177.584 -0.017 0.000 1.159 163 A CA 2.082 54.111 52.037 -0.013 0.000 0.656 163 A CB -0.485 18.495 19.000 -0.034 0.000 0.800 163 A HN 0.516 nan 8.150 nan 0.000 0.453 164 S N -0.402 115.295 115.700 -0.005 0.000 2.357 164 S HA -0.133 4.339 4.470 0.002 0.000 0.221 164 S C 2.315 176.926 174.600 0.019 0.000 1.031 164 S CA 1.781 59.967 58.200 -0.023 0.000 0.982 164 S CB -0.668 62.493 63.200 -0.064 0.000 0.853 164 S HN 0.911 nan 8.310 nan 0.000 0.458 165 T N 1.542 116.146 114.554 0.083 0.000 2.803 165 T HA -0.029 4.322 4.350 0.002 0.000 0.269 165 T C 1.678 176.516 174.700 0.229 0.000 1.052 165 T CA 0.986 63.183 62.100 0.162 0.000 1.136 165 T CB -0.696 68.325 68.868 0.256 0.000 0.864 165 T HN 0.268 nan 8.240 nan 0.000 0.467 166 L N 0.818 122.107 121.223 0.111 0.000 2.141 166 L HA 0.203 4.544 4.340 0.002 0.000 0.209 166 L C 2.196 179.066 176.870 0.000 0.000 1.094 166 L CA 1.159 55.984 54.840 -0.024 0.000 0.763 166 L CB -0.431 41.545 42.059 -0.139 0.000 0.908 166 L HN 0.519 nan 8.230 nan 0.000 0.437 167 I N -3.192 117.377 120.570 -0.001 0.000 3.850 167 I HA 0.395 4.567 4.170 0.002 0.000 0.333 167 I C 1.049 177.161 176.117 -0.009 0.000 1.511 167 I CA 0.070 61.360 61.300 -0.017 0.000 1.199 167 I CB -0.370 37.607 38.000 -0.039 0.000 1.217 167 I HN 0.164 nan 8.210 nan 0.000 0.423 168 G N 1.217 110.031 108.800 0.023 0.000 2.233 168 G HA2 -0.280 3.681 3.960 0.002 0.000 0.270 168 G HA3 -0.280 3.681 3.960 0.002 0.000 0.270 168 G C -0.063 174.813 174.900 -0.039 0.000 1.011 168 G CA 0.817 45.920 45.100 0.005 0.000 0.762 168 G HN 0.712 nan 8.290 nan 0.000 0.511 169 E N -1.509 118.662 120.200 -0.048 0.000 2.447 169 E HA 0.661 5.013 4.350 0.002 0.000 0.251 169 E C 1.125 177.646 176.600 -0.131 0.000 0.910 169 E CA -0.676 55.662 56.400 -0.104 0.000 0.841 169 E CB 1.110 30.752 29.700 -0.097 0.000 1.403 169 E HN 1.218 nan 8.360 nan 0.000 0.400 170 G N -0.325 108.346 108.800 -0.214 0.000 2.550 170 G HA2 -0.285 3.676 3.960 0.002 0.000 0.277 170 G HA3 -0.285 3.676 3.960 0.002 0.000 0.277 170 G C -1.082 173.568 174.900 -0.417 0.000 1.190 170 G CA 0.295 45.274 45.100 -0.201 0.000 0.971 170 G HN 0.397 nan 8.290 nan 0.000 0.559 171 Y N -1.064 119.273 120.300 0.060 0.000 2.534 171 Y HA 0.574 5.125 4.550 0.002 0.000 0.345 171 Y C 0.593 176.527 175.900 0.057 0.000 1.031 171 Y CA -0.378 57.755 58.100 0.055 0.000 1.022 171 Y CB 2.128 40.627 38.460 0.065 0.000 1.292 171 Y HN 0.963 nan 8.280 nan 0.000 0.459 172 V N 0.301 120.325 119.914 0.182 0.000 2.994 172 V HA 0.680 4.801 4.120 0.002 0.000 0.318 172 V C -1.091 175.060 176.094 0.095 0.000 1.085 172 V CA -1.124 61.234 62.300 0.097 0.000 0.998 172 V CB 2.004 33.830 31.823 0.006 0.000 1.063 172 V HN 0.613 nan 8.190 nan 0.000 0.447 173 L N 3.234 124.493 121.223 0.061 0.000 2.259 173 L HA 0.561 4.902 4.340 0.002 0.000 0.288 173 L C 0.114 176.998 176.870 0.024 0.000 1.051 173 L CA 0.025 54.893 54.840 0.047 0.000 0.824 173 L CB 0.418 42.507 42.059 0.050 0.000 1.206 173 L HN 0.909 nan 8.230 nan 0.000 0.429 174 R N 4.412 124.926 120.500 0.023 0.000 2.360 174 R HA 0.229 4.571 4.340 0.002 0.000 0.318 174 R C -0.644 175.661 176.300 0.009 0.000 0.950 174 R CA -0.466 55.640 56.100 0.010 0.000 0.837 174 R CB 0.728 31.033 30.300 0.009 0.000 1.165 174 R HN 0.684 nan 8.270 nan 0.000 0.458 175 D N 3.925 124.328 120.400 0.005 0.000 2.706 175 D HA -0.233 4.408 4.640 0.002 0.000 0.230 175 D C 0.809 177.112 176.300 0.004 0.000 1.184 175 D CA 1.889 55.891 54.000 0.004 0.000 0.628 175 D CB -0.678 40.123 40.800 0.001 0.000 1.019 175 D HN 1.080 nan 8.370 nan 0.000 0.415 176 G N -0.690 108.114 108.800 0.007 0.000 2.345 176 G HA2 -0.320 3.641 3.960 0.002 0.000 0.218 176 G HA3 -0.320 3.641 3.960 0.002 0.000 0.218 176 G C 0.470 175.369 174.900 -0.002 0.000 1.058 176 G CA 0.241 45.343 45.100 0.003 0.000 0.632 176 G HN 0.503 nan 8.290 nan 0.000 0.508 177 R N 1.494 121.994 120.500 0.000 0.000 2.674 177 R HA 0.567 4.909 4.340 0.002 0.000 0.266 177 R C -2.670 173.636 176.300 0.009 0.000 1.016 177 R CA -1.643 54.454 56.100 -0.006 0.000 1.062 177 R CB 1.665 31.962 30.300 -0.005 0.000 1.142 177 R HN 0.174 nan 8.270 nan 0.000 0.517 178 P HA 0.115 nan 4.420 nan 0.000 0.297 178 P C -0.842 176.545 177.300 0.145 0.000 1.331 178 P CA -0.369 62.751 63.100 0.034 0.000 0.803 178 P CB 1.402 33.016 31.700 -0.142 0.000 0.929 179 V N 0.439 120.483 119.914 0.218 0.000 2.769 179 V HA 0.465 4.586 4.120 0.002 0.000 0.312 179 V C 0.093 176.309 176.094 0.205 0.000 1.061 179 V CA -1.214 61.215 62.300 0.214 0.000 0.931 179 V CB 1.779 33.656 31.823 0.090 0.000 1.010 179 V HN 0.382 nan 8.190 nan 0.000 0.433 180 E N 2.124 122.379 120.200 0.092 0.000 2.652 180 E HA -0.021 4.330 4.350 0.002 0.000 0.255 180 E C 0.791 177.333 176.600 -0.097 0.000 0.952 180 E CA 0.672 56.980 56.400 -0.154 0.000 0.947 180 E CB 0.795 30.411 29.700 -0.141 0.000 0.912 180 E HN 0.845 nan 8.360 nan 0.000 0.489 181 T N 2.875 117.348 114.554 -0.134 0.000 2.881 181 T HA -0.195 4.156 4.350 0.002 0.000 0.270 181 T C 1.765 176.427 174.700 -0.064 0.000 1.068 181 T CA 1.193 63.250 62.100 -0.071 0.000 1.131 181 T CB 0.015 68.853 68.868 -0.049 0.000 0.871 181 T HN 0.614 nan 8.240 nan 0.000 0.479 182 A N 1.802 124.574 122.820 -0.081 0.000 1.849 182 A HA -0.259 4.062 4.320 0.002 0.000 0.217 182 A C 2.288 179.846 177.584 -0.042 0.000 1.202 182 A CA 1.899 53.901 52.037 -0.059 0.000 0.629 182 A CB -0.785 18.174 19.000 -0.068 0.000 0.834 182 A HN 0.568 nan 8.150 nan 0.000 0.447 183 Q N -0.614 119.162 119.800 -0.040 0.000 2.020 183 Q HA -0.130 4.211 4.340 0.002 0.000 0.202 183 Q C 2.201 178.183 176.000 -0.030 0.000 0.982 183 Q CA 1.749 57.535 55.803 -0.028 0.000 0.838 183 Q CB -0.568 28.159 28.738 -0.019 0.000 0.899 183 Q HN 0.474 nan 8.270 nan 0.000 0.423 184 V N 1.718 121.610 119.914 -0.036 0.000 2.278 184 V HA -0.307 3.814 4.120 0.002 0.000 0.251 184 V C 2.306 178.365 176.094 -0.057 0.000 1.062 184 V CA 1.818 64.088 62.300 -0.049 0.000 1.038 184 V CB -0.725 31.060 31.823 -0.064 0.000 0.646 184 V HN 0.344 nan 8.190 nan 0.000 0.447 185 L N -0.192 120.999 121.223 -0.054 0.000 2.017 185 L HA -0.145 4.196 4.340 0.002 0.000 0.208 185 L C 2.736 179.592 176.870 -0.022 0.000 1.073 185 L CA 1.684 56.501 54.840 -0.038 0.000 0.745 185 L CB -0.837 41.215 42.059 -0.011 0.000 0.894 185 L HN 0.382 nan 8.230 nan 0.000 0.432 186 A N -0.674 122.134 122.820 -0.020 0.000 1.969 186 A HA -0.213 4.108 4.320 0.002 0.000 0.218 186 A C 2.165 179.739 177.584 -0.016 0.000 1.169 186 A CA 1.315 53.343 52.037 -0.015 0.000 0.635 186 A CB -0.430 18.561 19.000 -0.016 0.000 0.810 186 A HN 0.415 nan 8.150 nan 0.000 0.445 187 E N -1.030 119.157 120.200 -0.021 0.000 2.516 187 E HA -0.048 4.304 4.350 0.002 0.000 0.199 187 E C 1.548 178.135 176.600 -0.022 0.000 1.069 187 E CA 0.316 56.704 56.400 -0.020 0.000 0.876 187 E CB 0.025 29.712 29.700 -0.022 0.000 0.843 187 E HN 0.548 nan 8.360 nan 0.000 0.530 188 R N -1.398 119.087 120.500 -0.025 0.000 2.549 188 R HA 0.107 4.448 4.340 0.002 0.000 0.344 188 R C 0.444 176.737 176.300 -0.013 0.000 0.979 188 R CA 0.675 56.760 56.100 -0.024 0.000 1.140 188 R CB 0.808 31.083 30.300 -0.042 0.000 1.377 188 R HN 0.154 nan 8.270 nan 0.000 0.541 189 G N 1.922 110.717 108.800 -0.008 0.000 2.225 189 G HA2 -0.241 3.720 3.960 0.002 0.000 0.264 189 G HA3 -0.241 3.720 3.960 0.002 0.000 0.264 189 G C -0.210 174.695 174.900 0.008 0.000 1.060 189 G CA 0.388 45.488 45.100 -0.001 0.000 0.833 189 G HN 0.274 nan 8.290 nan 0.000 0.498 190 I N 0.520 121.097 120.570 0.012 0.000 2.509 190 I HA 0.383 4.554 4.170 0.002 0.000 0.293 190 I C -0.041 176.095 176.117 0.031 0.000 1.020 190 I CA -1.078 60.243 61.300 0.034 0.000 1.088 190 I CB 1.789 39.827 38.000 0.063 0.000 1.267 190 I HN 0.248 nan 8.210 nan 0.000 0.430 191 E N 7.586 127.806 120.200 0.032 0.000 2.109 191 E HA 0.393 4.744 4.350 0.002 0.000 0.278 191 E C -2.681 173.936 176.600 0.028 0.000 0.954 191 E CA -2.002 54.410 56.400 0.021 0.000 0.779 191 E CB 0.727 30.433 29.700 0.009 0.000 1.093 191 E HN 0.249 nan 8.360 nan 0.000 0.401 192 P HA -0.017 nan 4.420 nan 0.000 0.270 192 P C -0.050 177.251 177.300 0.001 0.000 1.216 192 P CA 0.026 63.142 63.100 0.026 0.000 0.788 192 P CB 0.855 32.562 31.700 0.011 0.000 0.883 193 L N 0.194 121.410 121.223 -0.013 0.000 2.365 193 L HA 0.416 4.758 4.340 0.002 0.000 0.267 193 L C 0.895 177.742 176.870 -0.039 0.000 1.033 193 L CA -0.685 54.136 54.840 -0.032 0.000 0.802 193 L CB 0.813 42.841 42.059 -0.052 0.000 1.267 193 L HN 0.436 nan 8.230 nan 0.000 0.457 194 E N 1.399 121.572 120.200 -0.045 0.000 2.155 194 E HA 0.346 4.697 4.350 0.002 0.000 0.264 194 E C -1.275 175.288 176.600 -0.062 0.000 0.886 194 E CA -0.634 55.735 56.400 -0.053 0.000 0.752 194 E CB 1.289 30.957 29.700 -0.053 0.000 1.133 194 E HN 0.434 nan 8.360 nan 0.000 0.414 195 L N 5.078 126.261 121.223 -0.067 0.000 2.477 195 L HA 0.245 4.586 4.340 0.002 0.000 0.272 195 L C 0.926 177.743 176.870 -0.089 0.000 1.157 195 L CA 0.237 55.036 54.840 -0.068 0.000 0.889 195 L CB 0.266 42.286 42.059 -0.065 0.000 1.158 195 L HN 0.498 nan 8.230 nan 0.000 0.473 196 R N 2.065 122.520 120.500 -0.076 0.000 2.730 196 R HA 0.422 4.763 4.340 0.002 0.000 0.228 196 R C -0.598 175.672 176.300 -0.050 0.000 1.312 196 R CA -1.088 54.936 56.100 -0.127 0.000 1.093 196 R CB 0.467 30.724 30.300 -0.071 0.000 1.583 196 R HN 0.160 nan 8.270 nan 0.000 0.535 197 F N 2.440 122.435 119.950 0.075 0.000 2.512 197 F HA -0.185 4.343 4.527 0.002 0.000 0.406 197 F C 1.543 177.444 175.800 0.170 0.000 0.990 197 F CA 1.145 59.233 58.000 0.146 0.000 1.137 197 F CB -0.185 38.952 39.000 0.228 0.000 0.960 197 F HN 0.601 nan 8.300 nan 0.000 0.533 198 K N 0.992 121.576 120.400 0.306 0.000 3.529 198 K HA -0.300 4.021 4.320 0.002 0.000 0.313 198 K C 1.142 177.765 176.600 0.038 0.000 1.316 198 K CA 1.645 58.017 56.287 0.141 0.000 0.988 198 K CB -0.803 31.712 32.500 0.025 0.000 1.252 198 K HN 0.813 nan 8.250 nan 0.000 0.438 199 E N -0.872 119.351 120.200 0.039 0.000 2.072 199 E HA -0.079 4.272 4.350 0.002 0.000 0.190 199 E C 1.988 178.573 176.600 -0.025 0.000 0.982 199 E CA 1.024 57.416 56.400 -0.012 0.000 0.803 199 E CB -0.144 29.545 29.700 -0.019 0.000 0.755 199 E HN 0.547 nan 8.360 nan 0.000 0.453 200 G N 1.887 110.674 108.800 -0.023 0.000 2.421 200 G HA2 -0.255 3.706 3.960 0.002 0.000 0.216 200 G HA3 -0.255 3.706 3.960 0.002 0.000 0.216 200 G C 1.597 176.464 174.900 -0.056 0.000 1.171 200 G CA 0.637 45.704 45.100 -0.055 0.000 0.775 200 G HN 0.137 nan 8.290 nan 0.000 0.543 201 L N 1.520 122.740 121.223 -0.004 0.000 2.017 201 L HA 0.126 4.467 4.340 0.002 0.000 0.208 201 L C 3.056 179.937 176.870 0.019 0.000 1.073 201 L CA 2.328 57.187 54.840 0.030 0.000 0.745 201 L CB -0.892 41.254 42.059 0.145 0.000 0.894 201 L HN 0.236 nan 8.230 nan 0.000 0.432 202 A N -0.643 122.182 122.820 0.009 0.000 1.978 202 A HA -0.195 4.126 4.320 0.002 0.000 0.220 202 A C 2.319 179.897 177.584 -0.010 0.000 1.170 202 A CA 2.053 54.088 52.037 -0.003 0.000 0.636 202 A CB -0.945 18.029 19.000 -0.042 0.000 0.810 202 A HN 0.538 nan 8.150 nan 0.000 0.448 203 L N -0.598 120.610 121.223 -0.026 0.000 2.141 203 L HA -0.078 4.263 4.340 0.002 0.000 0.209 203 L C 2.251 179.110 176.870 -0.019 0.000 1.094 203 L CA 1.513 56.335 54.840 -0.030 0.000 0.763 203 L CB -0.218 41.815 42.059 -0.044 0.000 0.908 203 L HN 0.716 nan 8.230 nan 0.000 0.437 204 I N -5.262 115.293 120.570 -0.024 0.000 4.082 204 I HA 0.168 4.339 4.170 0.002 0.000 0.337 204 I C 0.679 176.793 176.117 -0.006 0.000 1.352 204 I CA -0.001 61.287 61.300 -0.019 0.000 1.097 204 I CB 0.097 38.066 38.000 -0.053 0.000 1.048 204 I HN -0.002 nan 8.210 nan 0.000 0.393 205 N N 2.550 121.261 118.700 0.019 0.000 3.324 205 N HA 0.472 5.214 4.740 0.002 0.000 0.302 205 N C -0.200 175.387 175.510 0.128 0.000 1.360 205 N CA 0.194 53.277 53.050 0.055 0.000 1.190 205 N CB 0.502 39.048 38.487 0.099 0.000 1.462 205 N HN 0.662 nan 8.380 nan 0.000 0.532 206 G N -1.532 107.327 108.800 0.098 0.000 2.706 206 G HA2 0.241 4.202 3.960 0.002 0.000 0.307 206 G HA3 0.241 4.202 3.960 0.002 0.000 0.307 206 G C -0.325 174.620 174.900 0.075 0.000 1.307 206 G CA -0.424 44.744 45.100 0.115 0.000 0.790 206 G HN 0.135 nan 8.290 nan 0.000 0.503 207 T N -2.027 112.558 114.554 0.052 0.000 3.258 207 T HA 0.348 4.700 4.350 0.002 0.000 0.263 207 T C 1.422 176.121 174.700 -0.003 0.000 0.983 207 T CA 0.716 62.828 62.100 0.021 0.000 0.907 207 T CB 0.389 69.265 68.868 0.014 0.000 1.096 207 T HN 0.231 nan 8.240 nan 0.000 0.556 208 S N 1.039 116.736 115.700 -0.005 0.000 2.402 208 S HA 0.048 4.520 4.470 0.002 0.000 0.229 208 S C 2.302 176.865 174.600 -0.062 0.000 1.021 208 S CA 1.226 59.410 58.200 -0.027 0.000 0.974 208 S CB -0.637 62.550 63.200 -0.022 0.000 0.800 208 S HN 0.785 nan 8.310 nan 0.000 0.484 209 G N 2.631 111.390 108.800 -0.069 0.000 2.414 209 G HA2 -0.220 3.741 3.960 0.002 0.000 0.215 209 G HA3 -0.220 3.741 3.960 0.002 0.000 0.215 209 G C 1.491 176.317 174.900 -0.123 0.000 1.188 209 G CA 1.109 46.127 45.100 -0.136 0.000 0.783 209 G HN 0.620 nan 8.290 nan 0.000 0.537 210 M N -0.340 119.228 119.600 -0.054 0.000 2.200 210 M HA 0.076 4.558 4.480 0.002 0.000 0.265 210 M C 2.276 178.555 176.300 -0.034 0.000 1.066 210 M CA 2.080 57.361 55.300 -0.031 0.000 1.127 210 M CB -0.929 31.662 32.600 -0.014 0.000 1.379 210 M HN -0.015 nan 8.290 nan 0.000 0.420 211 T N 1.050 115.583 114.554 -0.035 0.000 2.821 211 T HA 0.035 4.386 4.350 0.002 0.000 0.267 211 T C 1.964 176.643 174.700 -0.034 0.000 1.046 211 T CA 1.517 63.601 62.100 -0.027 0.000 1.139 211 T CB -0.697 68.158 68.868 -0.021 0.000 0.871 211 T HN 0.704 nan 8.240 nan 0.000 0.454 212 G N 1.486 110.251 108.800 -0.059 0.000 2.414 212 G HA2 -0.117 3.844 3.960 0.002 0.000 0.215 212 G HA3 -0.117 3.844 3.960 0.002 0.000 0.215 212 G C 1.503 176.359 174.900 -0.074 0.000 1.188 212 G CA 0.612 45.670 45.100 -0.071 0.000 0.783 212 G HN 0.386 nan 8.290 nan 0.000 0.537 213 L N 1.634 122.792 121.223 -0.109 0.000 2.046 213 L HA 0.140 4.481 4.340 0.002 0.000 0.208 213 L C 2.853 179.715 176.870 -0.013 0.000 1.077 213 L CA 2.334 57.128 54.840 -0.077 0.000 0.747 213 L CB -1.011 40.996 42.059 -0.087 0.000 0.896 213 L HN 0.191 nan 8.230 nan 0.000 0.432 214 G N -1.652 107.143 108.800 -0.008 0.000 2.442 214 G HA2 -0.279 3.682 3.960 0.002 0.000 0.219 214 G HA3 -0.279 3.682 3.960 0.002 0.000 0.219 214 G C 1.584 176.497 174.900 0.021 0.000 1.141 214 G CA 0.991 46.099 45.100 0.014 0.000 0.763 214 G HN 0.492 nan 8.290 nan 0.000 0.554 215 S N 0.511 116.217 115.700 0.009 0.000 2.359 215 S HA -0.058 4.414 4.470 0.002 0.000 0.224 215 S C 2.315 176.930 174.600 0.025 0.000 1.035 215 S CA 1.086 59.297 58.200 0.018 0.000 1.018 215 S CB -0.315 62.889 63.200 0.007 0.000 0.876 215 S HN 0.339 nan 8.310 nan 0.000 0.448 216 L N 1.106 122.339 121.223 0.017 0.000 2.017 216 L HA -0.109 4.232 4.340 0.002 0.000 0.208 216 L C 2.403 179.296 176.870 0.039 0.000 1.073 216 L CA 0.990 55.845 54.840 0.026 0.000 0.745 216 L CB -0.905 41.166 42.059 0.020 0.000 0.894 216 L HN 0.203 nan 8.230 nan 0.000 0.432 217 V N -0.612 119.327 119.914 0.042 0.000 2.287 217 V HA -0.253 3.868 4.120 0.002 0.000 0.248 217 V C 2.425 178.553 176.094 0.057 0.000 1.053 217 V CA 1.635 63.967 62.300 0.052 0.000 1.027 217 V CB -0.362 31.494 31.823 0.055 0.000 0.646 217 V HN 0.203 nan 8.190 nan 0.000 0.447 218 V N 0.859 120.808 119.914 0.059 0.000 2.427 218 V HA -0.142 3.979 4.120 0.002 0.000 0.248 218 V C 2.630 178.768 176.094 0.075 0.000 1.051 218 V CA 2.054 64.398 62.300 0.072 0.000 1.048 218 V CB -1.327 30.545 31.823 0.081 0.000 0.666 218 V HN 0.616 nan 8.190 nan 0.000 0.456 219 G N -0.078 108.761 108.800 0.064 0.000 2.418 219 G HA2 -0.241 3.721 3.960 0.002 0.000 0.217 219 G HA3 -0.241 3.721 3.960 0.002 0.000 0.217 219 G C 1.765 176.703 174.900 0.063 0.000 1.158 219 G CA 0.700 45.837 45.100 0.063 0.000 0.771 219 G HN 0.448 nan 8.290 nan 0.000 0.545 220 R N 0.405 120.939 120.500 0.058 0.000 2.090 220 R HA 0.173 4.515 4.340 0.002 0.000 0.228 220 R C 3.025 179.363 176.300 0.063 0.000 1.110 220 R CA 0.866 57.001 56.100 0.058 0.000 0.973 220 R CB -0.323 30.009 30.300 0.053 0.000 0.869 220 R HN 0.327 nan 8.270 nan 0.000 0.440 221 A N 1.478 124.336 122.820 0.064 0.000 1.908 221 A HA -0.163 4.158 4.320 0.002 0.000 0.218 221 A C 2.153 179.775 177.584 0.062 0.000 1.181 221 A CA 1.291 53.365 52.037 0.062 0.000 0.627 221 A CB -0.592 18.445 19.000 0.062 0.000 0.818 221 A HN 0.184 nan 8.150 nan 0.000 0.445 222 L N -0.970 120.298 121.223 0.074 0.000 2.083 222 L HA -0.200 4.142 4.340 0.002 0.000 0.209 222 L C 2.604 179.522 176.870 0.081 0.000 1.083 222 L CA 1.615 56.506 54.840 0.085 0.000 0.752 222 L CB -0.469 41.662 42.059 0.119 0.000 0.899 222 L HN 0.473 nan 8.230 nan 0.000 0.433 223 E N -0.554 119.693 120.200 0.078 0.000 2.150 223 E HA -0.263 4.088 4.350 0.002 0.000 0.193 223 E C 2.167 178.819 176.600 0.086 0.000 0.985 223 E CA 0.810 57.258 56.400 0.080 0.000 0.814 223 E CB 0.046 29.790 29.700 0.073 0.000 0.752 223 E HN 0.455 nan 8.360 nan 0.000 0.466 224 Q N 0.161 120.008 119.800 0.079 0.000 2.119 224 Q HA -0.147 4.194 4.340 0.002 0.000 0.201 224 Q C 2.062 178.106 176.000 0.074 0.000 0.972 224 Q CA 1.279 57.131 55.803 0.082 0.000 0.847 224 Q CB -0.046 28.734 28.738 0.071 0.000 0.903 224 Q HN 0.228 nan 8.270 nan 0.000 0.433 225 A N 0.399 123.254 122.820 0.057 0.000 1.933 225 A HA -0.228 4.093 4.320 0.002 0.000 0.218 225 A C 1.883 179.496 177.584 0.050 0.000 1.175 225 A CA 1.482 53.543 52.037 0.040 0.000 0.628 225 A CB -0.410 18.600 19.000 0.017 0.000 0.814 225 A HN 0.483 nan 8.150 nan 0.000 0.444 226 Q N -0.760 119.081 119.800 0.068 0.000 2.123 226 Q HA -0.160 4.181 4.340 0.002 0.000 0.199 226 Q C 2.160 178.215 176.000 0.093 0.000 0.966 226 Q CA 1.466 57.313 55.803 0.074 0.000 0.845 226 Q CB -0.148 28.640 28.738 0.083 0.000 0.907 226 Q HN 0.766 nan 8.270 nan 0.000 0.439 227 Q N -0.258 119.616 119.800 0.124 0.000 2.311 227 Q HA 0.013 4.354 4.340 0.002 0.000 0.203 227 Q C 1.937 178.029 176.000 0.154 0.000 0.954 227 Q CA 0.795 56.713 55.803 0.193 0.000 0.885 227 Q CB 0.071 28.943 28.738 0.224 0.000 0.963 227 Q HN 0.304 nan 8.270 nan 0.000 0.471 228 A N 1.493 124.365 122.820 0.086 0.000 1.897 228 A HA -0.189 4.132 4.320 0.002 0.000 0.215 228 A C 1.795 179.365 177.584 -0.023 0.000 1.181 228 A CA 1.190 53.246 52.037 0.031 0.000 0.620 228 A CB -0.199 18.820 19.000 0.032 0.000 0.821 228 A HN 0.281 nan 8.150 nan 0.000 0.443 229 E N -0.121 120.076 120.200 -0.006 0.000 2.072 229 E HA -0.120 4.231 4.350 0.002 0.000 0.191 229 E C 1.824 178.384 176.600 -0.068 0.000 0.985 229 E CA 1.079 57.457 56.400 -0.036 0.000 0.801 229 E CB -0.308 29.380 29.700 -0.021 0.000 0.750 229 E HN 0.674 nan 8.360 nan 0.000 0.452 230 I N 0.626 121.180 120.570 -0.027 0.000 2.052 230 I HA -0.309 3.862 4.170 0.002 0.000 0.235 230 I C 2.550 178.571 176.117 -0.160 0.000 1.046 230 I CA 1.130 62.411 61.300 -0.031 0.000 1.308 230 I CB -0.495 37.563 38.000 0.097 0.000 1.031 230 I HN 0.045 nan 8.210 nan 0.000 0.395 231 V N 0.459 120.158 119.914 -0.359 0.000 2.392 231 V HA -0.323 3.798 4.120 0.002 0.000 0.249 231 V C 2.443 178.335 176.094 -0.336 0.000 1.059 231 V CA 2.788 64.713 62.300 -0.625 0.000 1.051 231 V CB -0.528 30.522 31.823 -1.288 0.000 0.658 231 V HN 0.542 nan 8.190 nan 0.000 0.455 232 T N 0.530 114.950 114.554 -0.224 0.000 2.684 232 T HA -0.186 4.166 4.350 0.002 0.000 0.267 232 T C 1.992 176.614 174.700 -0.131 0.000 1.036 232 T CA 1.819 63.837 62.100 -0.137 0.000 1.148 232 T CB -0.587 68.234 68.868 -0.078 0.000 0.863 232 T HN 0.714 nan 8.240 nan 0.000 0.436 233 A N 1.276 124.002 122.820 -0.156 0.000 1.933 233 A HA -0.026 4.295 4.320 0.002 0.000 0.218 233 A C 2.235 179.742 177.584 -0.128 0.000 1.175 233 A CA 1.385 53.320 52.037 -0.169 0.000 0.628 233 A CB -0.785 18.111 19.000 -0.173 0.000 0.814 233 A HN 0.419 nan 8.150 nan 0.000 0.444 234 L N -0.302 120.845 121.223 -0.127 0.000 1.989 234 L HA -0.134 4.207 4.340 0.002 0.000 0.211 234 L C 2.285 179.103 176.870 -0.086 0.000 1.071 234 L CA 2.258 57.041 54.840 -0.094 0.000 0.749 234 L CB -0.755 41.237 42.059 -0.113 0.000 0.890 234 L HN 0.440 nan 8.230 nan 0.000 0.431 235 L N -0.931 120.226 121.223 -0.110 0.000 2.012 235 L HA -0.230 4.111 4.340 0.002 0.000 0.210 235 L C 2.512 179.350 176.870 -0.054 0.000 1.073 235 L CA 1.709 56.499 54.840 -0.082 0.000 0.748 235 L CB -0.253 41.750 42.059 -0.093 0.000 0.891 235 L HN 0.329 nan 8.230 nan 0.000 0.431 236 I N -0.334 120.205 120.570 -0.052 0.000 2.423 236 I HA -0.293 3.878 4.170 0.002 0.000 0.254 236 I C 2.315 178.403 176.117 -0.048 0.000 1.151 236 I CA 1.277 62.558 61.300 -0.030 0.000 1.421 236 I CB -0.262 37.735 38.000 -0.004 0.000 1.079 236 I HN 0.420 nan 8.210 nan 0.000 0.431 237 E N 0.805 120.968 120.200 -0.061 0.000 2.051 237 E HA -0.097 4.254 4.350 0.002 0.000 0.189 237 E C 2.319 178.887 176.600 -0.054 0.000 0.979 237 E CA 1.024 57.388 56.400 -0.060 0.000 0.803 237 E CB -0.114 29.545 29.700 -0.068 0.000 0.761 237 E HN 0.444 nan 8.360 nan 0.000 0.451 238 A N 0.944 123.736 122.820 -0.046 0.000 2.125 238 A HA -0.080 4.241 4.320 0.002 0.000 0.219 238 A C 2.055 179.622 177.584 -0.029 0.000 1.156 238 A CA 0.837 52.853 52.037 -0.034 0.000 0.671 238 A CB -0.007 18.978 19.000 -0.026 0.000 0.794 238 A HN 0.182 nan 8.150 nan 0.000 0.459 239 V N -0.753 119.140 119.914 -0.036 0.000 3.427 239 V HA 0.166 4.287 4.120 0.002 0.000 0.305 239 V C 0.164 176.199 176.094 -0.099 0.000 1.412 239 V CA -0.125 62.157 62.300 -0.030 0.000 1.086 239 V CB -0.826 31.007 31.823 0.016 0.000 0.964 239 V HN 0.593 nan 8.190 nan 0.000 0.439 240 R N 0.186 120.636 120.500 -0.084 0.000 3.336 240 R HA -0.139 4.202 4.340 0.002 0.000 0.260 240 R C 0.655 176.874 176.300 -0.134 0.000 1.032 240 R CA 0.700 56.746 56.100 -0.091 0.000 0.693 240 R CB -2.345 27.911 30.300 -0.073 0.000 1.134 240 R HN 0.635 nan 8.270 nan 0.000 0.433 241 G N 0.179 108.905 108.800 -0.124 0.000 2.651 241 G HA2 0.273 4.235 3.960 0.002 0.000 0.260 241 G HA3 0.273 4.235 3.960 0.002 0.000 0.260 241 G C 0.002 174.888 174.900 -0.023 0.000 1.216 241 G CA 0.071 45.099 45.100 -0.120 0.000 0.913 241 G HN 0.201 nan 8.290 nan 0.000 0.535 242 S N -2.061 113.646 115.700 0.011 0.000 2.610 242 S HA 0.391 4.862 4.470 0.002 0.000 0.273 242 S C 1.605 176.299 174.600 0.155 0.000 1.274 242 S CA 0.160 58.399 58.200 0.065 0.000 1.023 242 S CB 1.067 64.304 63.200 0.061 0.000 0.962 242 S HN 0.828 nan 8.310 nan 0.000 0.523 243 T N 0.622 115.276 114.554 0.167 0.000 3.037 243 T HA 0.049 4.400 4.350 0.002 0.000 0.251 243 T C 1.973 176.789 174.700 0.193 0.000 1.079 243 T CA 0.753 63.024 62.100 0.285 0.000 1.067 243 T CB -0.410 68.572 68.868 0.190 0.000 0.948 243 T HN 0.476 nan 8.240 nan 0.000 0.496 244 S N 2.985 118.729 115.700 0.073 0.000 2.381 244 S HA -0.103 4.369 4.470 0.002 0.000 0.230 244 S C -0.618 173.909 174.600 -0.121 0.000 1.052 244 S CA 1.778 59.966 58.200 -0.019 0.000 1.068 244 S CB -1.299 61.860 63.200 -0.068 0.000 0.918 244 S HN 0.418 nan 8.310 nan 0.000 0.448 245 P HA -0.066 nan 4.420 nan 0.000 0.220 245 P C 0.435 177.439 177.300 -0.494 0.000 1.144 245 P CA 1.099 63.875 63.100 -0.539 0.000 0.800 245 P CB -0.117 31.061 31.700 -0.870 0.000 0.772 246 F N -2.483 117.538 119.950 0.118 0.000 2.695 246 F HA 0.200 4.728 4.527 0.002 0.000 0.303 246 F C 1.028 176.906 175.800 0.130 0.000 1.091 246 F CA -0.524 57.545 58.000 0.115 0.000 1.300 246 F CB -0.762 38.240 39.000 0.003 0.000 1.071 246 F HN -0.269 nan 8.300 nan 0.000 0.578 247 L N 0.822 122.184 121.223 0.233 0.000 2.540 247 L HA 0.025 4.366 4.340 0.002 0.000 0.276 247 L C 1.784 178.783 176.870 0.216 0.000 1.212 247 L CA -0.127 54.812 54.840 0.165 0.000 0.893 247 L CB 0.443 42.550 42.059 0.079 0.000 1.138 247 L HN 0.245 nan 8.230 nan 0.000 0.491 248 A N 3.504 126.422 122.820 0.163 0.000 1.958 248 A HA -0.215 4.107 4.320 0.002 0.000 0.221 248 A C 2.108 179.770 177.584 0.131 0.000 1.178 248 A CA 1.879 54.012 52.037 0.161 0.000 0.642 248 A CB -0.472 18.582 19.000 0.089 0.000 0.816 248 A HN 0.923 nan 8.150 nan 0.000 0.453 249 E N -0.340 119.900 120.200 0.065 0.000 2.118 249 E HA -0.167 4.184 4.350 0.002 0.000 0.195 249 E C 1.918 178.498 176.600 -0.034 0.000 0.992 249 E CA 1.460 57.868 56.400 0.013 0.000 0.804 249 E CB -1.021 28.675 29.700 -0.008 0.000 0.741 249 E HN 0.493 nan 8.360 nan 0.000 0.458 250 G N -0.065 108.686 108.800 -0.081 0.000 2.509 250 G HA2 -0.161 3.800 3.960 0.002 0.000 0.218 250 G HA3 -0.161 3.800 3.960 0.002 0.000 0.218 250 G C 0.756 175.369 174.900 -0.479 0.000 1.124 250 G CA 1.058 45.979 45.100 -0.298 0.000 0.776 250 G HN 0.374 nan 8.290 nan 0.000 0.547 251 H N -0.673 118.394 119.070 -0.004 0.000 2.302 251 H HA 0.198 4.755 4.556 0.002 0.000 0.252 251 H C 1.904 177.236 175.328 0.007 0.000 1.017 251 H CA 0.236 56.291 56.048 0.011 0.000 1.404 251 H CB -0.221 29.563 29.762 0.036 0.000 1.394 251 H HN 0.066 nan 8.280 nan 0.000 0.560 252 D N 0.646 121.147 120.400 0.169 0.000 2.172 252 D HA -0.147 4.495 4.640 0.002 0.000 0.196 252 D C 1.614 177.936 176.300 0.037 0.000 0.999 252 D CA 1.642 55.693 54.000 0.085 0.000 0.856 252 D CB 0.113 40.956 40.800 0.072 0.000 0.934 252 D HN 0.376 nan 8.370 nan 0.000 0.453 253 I N -0.449 120.133 120.570 0.020 0.000 2.900 253 I HA 0.050 4.221 4.170 0.002 0.000 0.251 253 I C 2.218 178.316 176.117 -0.032 0.000 1.102 253 I CA 0.523 61.818 61.300 -0.008 0.000 1.457 253 I CB -0.133 37.860 38.000 -0.012 0.000 1.285 253 I HN -0.073 nan 8.210 nan 0.000 0.459 254 A N 0.262 123.050 122.820 -0.053 0.000 2.016 254 A HA 0.011 4.332 4.320 0.002 0.000 0.217 254 A C 1.642 179.179 177.584 -0.079 0.000 1.162 254 A CA 0.941 52.934 52.037 -0.074 0.000 0.662 254 A CB -0.066 18.873 19.000 -0.103 0.000 0.812 254 A HN 0.327 nan 8.150 nan 0.000 0.450 255 R N -0.597 119.861 120.500 -0.070 0.000 2.754 255 R HA 0.231 4.573 4.340 0.002 0.000 0.255 255 R C -2.652 173.619 176.300 -0.049 0.000 1.723 255 R CA -1.361 54.697 56.100 -0.069 0.000 1.596 255 R CB 0.811 31.095 30.300 -0.026 0.000 1.424 255 R HN 0.051 nan 8.270 nan 0.000 0.662 256 P HA -0.131 nan 4.420 nan 0.000 0.281 256 P C -0.705 176.560 177.300 -0.057 0.000 1.349 256 P CA 0.826 63.888 63.100 -0.062 0.000 0.742 256 P CB -0.354 31.298 31.700 -0.079 0.000 1.202 257 H N -0.504 118.602 119.070 0.059 0.000 2.975 257 H HA -0.012 4.545 4.556 0.002 0.000 0.303 257 H C 1.623 177.004 175.328 0.089 0.000 1.023 257 H CA 0.057 56.143 56.048 0.065 0.000 1.473 257 H CB 0.578 30.372 29.762 0.053 0.000 1.498 257 H HN 0.195 nan 8.280 nan 0.000 0.549 258 E N 3.179 123.513 120.200 0.223 0.000 2.068 258 E HA -0.253 4.098 4.350 0.002 0.000 0.207 258 E C 2.305 179.052 176.600 0.245 0.000 1.032 258 E CA 1.716 58.241 56.400 0.208 0.000 0.839 258 E CB -0.290 29.547 29.700 0.227 0.000 0.758 258 E HN 0.910 nan 8.360 nan 0.000 0.457 259 G N 0.195 109.143 108.800 0.246 0.000 2.440 259 G HA2 -0.381 3.580 3.960 0.002 0.000 0.218 259 G HA3 -0.381 3.580 3.960 0.002 0.000 0.218 259 G C 1.501 176.458 174.900 0.094 0.000 1.154 259 G CA 1.000 46.181 45.100 0.134 0.000 0.767 259 G HN 0.412 nan 8.290 nan 0.000 0.552 260 Q N -0.227 119.647 119.800 0.123 0.000 2.050 260 Q HA -0.056 4.286 4.340 0.002 0.000 0.202 260 Q C 2.578 178.612 176.000 0.056 0.000 0.980 260 Q CA 1.190 57.066 55.803 0.121 0.000 0.840 260 Q CB -0.215 28.665 28.738 0.236 0.000 0.898 260 Q HN 0.569 nan 8.270 nan 0.000 0.424 261 I N 1.023 121.655 120.570 0.103 0.000 2.163 261 I HA -0.311 3.861 4.170 0.002 0.000 0.243 261 I C 1.745 177.874 176.117 0.020 0.000 1.085 261 I CA 1.346 62.680 61.300 0.058 0.000 1.347 261 I CB -0.316 37.741 38.000 0.095 0.000 1.044 261 I HN 0.260 nan 8.210 nan 0.000 0.408 262 D N 0.283 120.728 120.400 0.074 0.000 2.123 262 D HA -0.155 4.486 4.640 0.002 0.000 0.196 262 D C 2.204 178.524 176.300 0.033 0.000 0.992 262 D CA 1.593 55.641 54.000 0.079 0.000 0.833 262 D CB -0.423 40.484 40.800 0.178 0.000 0.954 262 D HN 0.259 nan 8.370 nan 0.000 0.455 263 T N 0.553 115.117 114.554 0.015 0.000 2.777 263 T HA -0.080 4.271 4.350 0.002 0.000 0.266 263 T C 1.980 176.654 174.700 -0.043 0.000 1.040 263 T CA 1.382 63.478 62.100 -0.007 0.000 1.141 263 T CB -0.240 68.630 68.868 0.005 0.000 0.868 263 T HN 0.190 nan 8.240 nan 0.000 0.444 264 A N 1.557 124.304 122.820 -0.121 0.000 1.883 264 A HA 0.086 4.407 4.320 0.002 0.000 0.217 264 A C 2.651 180.188 177.584 -0.077 0.000 1.186 264 A CA 1.983 53.916 52.037 -0.173 0.000 0.624 264 A CB -1.214 17.413 19.000 -0.622 0.000 0.822 264 A HN 0.505 nan 8.150 nan 0.000 0.444 265 A N 0.357 123.141 122.820 -0.059 0.000 1.883 265 A HA -0.248 4.074 4.320 0.002 0.000 0.217 265 A C 1.909 179.470 177.584 -0.038 0.000 1.186 265 A CA 2.087 54.107 52.037 -0.027 0.000 0.624 265 A CB -0.761 18.237 19.000 -0.004 0.000 0.822 265 A HN 0.558 nan 8.150 nan 0.000 0.444 266 N N -0.474 118.203 118.700 -0.038 0.000 2.166 266 N HA -0.115 4.626 4.740 0.002 0.000 0.186 266 N C 1.574 177.021 175.510 -0.105 0.000 1.019 266 N CA 1.560 54.582 53.050 -0.046 0.000 0.856 266 N CB -0.411 38.062 38.487 -0.022 0.000 0.993 266 N HN 0.336 nan 8.380 nan 0.000 0.426 267 M N 0.487 119.989 119.600 -0.164 0.000 2.213 267 M HA -0.019 4.462 4.480 0.002 0.000 0.263 267 M C 1.844 177.939 176.300 -0.340 0.000 1.062 267 M CA 1.100 56.187 55.300 -0.355 0.000 1.105 267 M CB -0.761 31.462 32.600 -0.629 0.000 1.385 267 M HN 0.149 nan 8.290 nan 0.000 0.417 268 R N -0.502 119.888 120.500 -0.184 0.000 2.090 268 R HA 0.015 4.356 4.340 0.002 0.000 0.228 268 R C 2.232 178.482 176.300 -0.083 0.000 1.110 268 R CA 1.271 57.310 56.100 -0.103 0.000 0.973 268 R CB -0.266 30.022 30.300 -0.019 0.000 0.869 268 R HN 0.362 nan 8.270 nan 0.000 0.440 269 A N 1.005 123.782 122.820 -0.072 0.000 1.897 269 A HA -0.083 4.238 4.320 0.002 0.000 0.215 269 A C 2.124 179.674 177.584 -0.058 0.000 1.181 269 A CA 0.931 52.939 52.037 -0.049 0.000 0.620 269 A CB -0.385 18.596 19.000 -0.031 0.000 0.821 269 A HN 0.150 nan 8.150 nan 0.000 0.443 270 L N -1.192 119.981 121.223 -0.083 0.000 2.056 270 L HA -0.121 4.220 4.340 0.002 0.000 0.207 270 L C 2.646 179.461 176.870 -0.091 0.000 1.078 270 L CA 1.380 56.173 54.840 -0.079 0.000 0.749 270 L CB -0.355 41.646 42.059 -0.098 0.000 0.901 270 L HN 0.379 nan 8.230 nan 0.000 0.433 271 M N -1.016 118.505 119.600 -0.131 0.000 2.595 271 M HA -0.027 4.455 4.480 0.002 0.000 0.248 271 M C 0.844 177.097 176.300 -0.079 0.000 1.119 271 M CA 0.191 55.420 55.300 -0.119 0.000 1.079 271 M CB -0.113 32.386 32.600 -0.169 0.000 1.472 271 M HN 0.069 nan 8.290 nan 0.000 0.501 272 R N 1.568 122.028 120.500 -0.066 0.000 2.485 272 R HA 0.004 4.346 4.340 0.002 0.000 0.304 272 R C 0.670 176.946 176.300 -0.040 0.000 0.934 272 R CA 1.181 57.255 56.100 -0.043 0.000 1.102 272 R CB -0.117 30.162 30.300 -0.034 0.000 0.906 272 R HN 0.538 nan 8.270 nan 0.000 0.407 273 G N 2.818 111.597 108.800 -0.035 0.000 2.198 273 G HA2 -0.292 3.669 3.960 0.002 0.000 0.257 273 G HA3 -0.292 3.669 3.960 0.002 0.000 0.257 273 G C -0.106 174.764 174.900 -0.050 0.000 1.042 273 G CA 0.426 45.503 45.100 -0.037 0.000 0.791 273 G HN 0.696 nan 8.290 nan 0.000 0.502 274 S N -0.985 114.684 115.700 -0.051 0.000 2.585 274 S HA 0.658 5.129 4.470 0.002 0.000 0.277 274 S C 1.532 176.098 174.600 -0.056 0.000 1.241 274 S CA 0.732 58.894 58.200 -0.063 0.000 1.041 274 S CB 1.413 64.575 63.200 -0.063 0.000 0.987 274 S HN 1.270 nan 8.310 nan 0.000 0.512 275 G N 2.693 111.452 108.800 -0.068 0.000 3.020 275 G HA2 0.178 4.139 3.960 0.002 0.000 0.217 275 G HA3 0.178 4.139 3.960 0.002 0.000 0.217 275 G C 0.897 175.765 174.900 -0.052 0.000 1.144 275 G CA -0.096 44.970 45.100 -0.058 0.000 0.760 275 G HN 0.649 nan 8.290 nan 0.000 0.548 276 L N 0.602 121.791 121.223 -0.057 0.000 2.354 276 L HA 0.167 4.508 4.340 0.002 0.000 0.212 276 L C 1.223 178.067 176.870 -0.042 0.000 1.091 276 L CA 0.249 55.059 54.840 -0.050 0.000 0.828 276 L CB -0.223 41.802 42.059 -0.058 0.000 0.973 276 L HN -0.042 nan 8.230 nan 0.000 0.461 277 T N 1.217 115.748 114.554 -0.038 0.000 2.856 277 T HA 0.268 4.620 4.350 0.002 0.000 0.306 277 T C -0.133 174.559 174.700 -0.014 0.000 1.062 277 T CA -0.216 61.870 62.100 -0.024 0.000 1.083 277 T CB 1.657 70.517 68.868 -0.014 0.000 0.984 277 T HN 0.050 nan 8.240 nan 0.000 0.542 278 V N -0.314 119.598 119.914 -0.003 0.000 2.540 278 V HA 0.604 4.726 4.120 0.002 0.000 0.302 278 V C -0.248 175.862 176.094 0.026 0.000 1.035 278 V CA -1.043 61.257 62.300 0.001 0.000 0.873 278 V CB 1.819 33.634 31.823 -0.014 0.000 0.992 278 V HN 0.652 nan 8.190 nan 0.000 0.428 279 E N 2.176 122.391 120.200 0.025 0.000 2.366 279 E HA 0.154 4.506 4.350 0.002 0.000 0.266 279 E C 0.652 177.283 176.600 0.053 0.000 1.051 279 E CA 0.082 56.512 56.400 0.051 0.000 0.884 279 E CB 1.343 31.066 29.700 0.038 0.000 1.006 279 E HN 1.016 nan 8.360 nan 0.000 0.417 280 H N 2.964 122.039 119.070 0.008 0.000 2.319 280 H HA -0.176 4.381 4.556 0.002 0.000 0.299 280 H C 1.711 177.040 175.328 0.001 0.000 1.092 280 H CA 2.568 58.617 56.048 0.002 0.000 1.302 280 H CB 0.162 29.923 29.762 -0.002 0.000 1.373 280 H HN 0.601 nan 8.280 nan 0.000 0.497 281 A N 0.670 123.480 122.820 -0.017 0.000 1.892 281 A HA -0.260 4.061 4.320 0.002 0.000 0.218 281 A C 2.186 179.705 177.584 -0.108 0.000 1.188 281 A CA 2.120 54.120 52.037 -0.061 0.000 0.631 281 A CB -0.697 18.307 19.000 0.006 0.000 0.822 281 A HN 0.601 nan 8.150 nan 0.000 0.447 282 D N -0.109 120.249 120.400 -0.071 0.000 2.104 282 D HA -0.138 4.504 4.640 0.002 0.000 0.194 282 D C 2.006 178.249 176.300 -0.094 0.000 0.994 282 D CA 1.125 55.087 54.000 -0.063 0.000 0.830 282 D CB -0.415 40.363 40.800 -0.036 0.000 0.959 282 D HN 0.454 nan 8.370 nan 0.000 0.452 283 L N 0.513 121.656 121.223 -0.132 0.000 1.989 283 L HA -0.193 4.148 4.340 0.002 0.000 0.211 283 L C 2.752 179.518 176.870 -0.173 0.000 1.071 283 L CA 1.181 55.938 54.840 -0.138 0.000 0.749 283 L CB -0.324 41.645 42.059 -0.150 0.000 0.890 283 L HN 0.010 nan 8.230 nan 0.000 0.431 284 R N 0.271 120.590 120.500 -0.302 0.000 2.094 284 R HA -0.220 4.121 4.340 0.002 0.000 0.239 284 R C 2.416 178.646 176.300 -0.117 0.000 1.137 284 R CA 1.856 57.816 56.100 -0.234 0.000 0.943 284 R CB -0.162 29.971 30.300 -0.279 0.000 0.850 284 R HN 0.309 nan 8.270 nan 0.000 0.433 285 R N -0.066 120.375 120.500 -0.099 0.000 2.115 285 R HA -0.129 4.213 4.340 0.002 0.000 0.230 285 R C 2.341 178.613 176.300 -0.046 0.000 1.111 285 R CA 1.482 57.547 56.100 -0.058 0.000 0.976 285 R CB -0.211 30.062 30.300 -0.046 0.000 0.870 285 R HN 0.475 nan 8.270 nan 0.000 0.445 286 E N 0.921 121.090 120.200 -0.052 0.000 2.015 286 E HA -0.211 4.141 4.350 0.002 0.000 0.191 286 E C 1.943 178.526 176.600 -0.028 0.000 0.991 286 E CA 0.988 57.367 56.400 -0.034 0.000 0.802 286 E CB -0.010 29.671 29.700 -0.032 0.000 0.759 286 E HN 0.111 nan 8.360 nan 0.000 0.447 287 L N 1.367 122.568 121.223 -0.037 0.000 2.046 287 L HA -0.222 4.119 4.340 0.002 0.000 0.208 287 L C 2.528 179.381 176.870 -0.028 0.000 1.077 287 L CA 2.030 56.852 54.840 -0.029 0.000 0.747 287 L CB -0.686 41.350 42.059 -0.037 0.000 0.896 287 L HN 0.197 nan 8.230 nan 0.000 0.432 288 Q N 0.326 120.106 119.800 -0.034 0.000 2.061 288 Q HA -0.295 4.047 4.340 0.002 0.000 0.204 288 Q C 2.283 178.271 176.000 -0.020 0.000 0.984 288 Q CA 2.338 58.125 55.803 -0.026 0.000 0.846 288 Q CB -0.440 28.282 28.738 -0.027 0.000 0.902 288 Q HN 0.440 nan 8.270 nan 0.000 0.421 289 K N 0.369 120.757 120.400 -0.020 0.000 2.160 289 K HA -0.182 4.140 4.320 0.002 0.000 0.206 289 K C 1.072 177.665 176.600 -0.011 0.000 1.047 289 K CA 1.815 58.093 56.287 -0.015 0.000 0.930 289 K CB -0.623 31.869 32.500 -0.014 0.000 0.720 289 K HN 0.365 nan 8.250 nan 0.000 0.450 290 D N -0.143 120.250 120.400 -0.012 0.000 2.336 290 D HA 0.009 4.651 4.640 0.002 0.000 0.229 290 D C -0.656 175.638 176.300 -0.010 0.000 1.061 290 D CA 0.269 54.264 54.000 -0.008 0.000 0.875 290 D CB 0.252 41.049 40.800 -0.006 0.000 0.904 290 D HN 0.121 nan 8.370 nan 0.000 0.525 291 K N 0.836 121.229 120.400 -0.012 0.000 2.206 291 K HA 0.315 4.637 4.320 0.002 0.000 0.264 291 K C -0.071 176.522 176.600 -0.010 0.000 0.967 291 K CA -0.616 55.663 56.287 -0.013 0.000 0.844 291 K CB 2.263 34.754 32.500 -0.016 0.000 1.099 291 K HN 0.119 nan 8.250 nan 0.000 0.441 292 E N 0.843 121.038 120.200 -0.010 0.000 2.342 292 E HA 0.361 4.712 4.350 0.002 0.000 0.257 292 E C -0.412 176.183 176.600 -0.008 0.000 1.150 292 E CA -0.561 55.835 56.400 -0.008 0.000 0.926 292 E CB 1.267 30.963 29.700 -0.007 0.000 1.074 292 E HN 0.634 nan 8.360 nan 0.000 0.449 293 A N -0.120 122.695 122.820 -0.007 0.000 2.263 293 A HA 0.826 5.148 4.320 0.002 0.000 0.318 293 A C 0.484 178.064 177.584 -0.007 0.000 1.111 293 A CA 0.375 52.407 52.037 -0.007 0.000 0.901 293 A CB 1.289 20.285 19.000 -0.006 0.000 1.280 293 A HN 0.704 nan 8.150 nan 0.000 0.503 294 G N -0.818 107.978 108.800 -0.006 0.000 2.191 294 G HA2 0.274 4.235 3.960 0.002 0.000 0.090 294 G HA3 0.274 4.235 3.960 0.002 0.000 0.090 294 G C -0.243 174.653 174.900 -0.006 0.000 1.980 294 G CA 0.596 45.692 45.100 -0.006 0.000 1.116 294 G HN 1.759 nan 8.290 nan 0.000 0.313 295 K N 0.693 121.088 120.400 -0.007 0.000 2.326 295 K HA 0.105 4.427 4.320 0.002 0.000 0.120 295 K C -1.359 175.237 176.600 -0.008 0.000 1.629 295 K CA 0.657 56.940 56.287 -0.007 0.000 0.502 295 K CB -1.217 31.279 32.500 -0.006 0.000 2.199 295 K HN 0.732 nan 8.250 nan 0.000 0.458 296 D N -0.072 120.323 120.400 -0.009 0.000 2.712 296 D HA 0.595 5.236 4.640 0.002 0.000 0.252 296 D C -0.016 176.276 176.300 -0.012 0.000 1.123 296 D CA -0.512 53.482 54.000 -0.010 0.000 1.109 296 D CB 1.185 41.980 40.800 -0.009 0.000 1.313 296 D HN 0.155 nan 8.370 nan 0.000 0.629 297 V N -2.883 117.023 119.914 -0.014 0.000 2.444 297 V HA 0.599 4.720 4.120 0.002 0.000 0.294 297 V C -0.798 175.285 176.094 -0.019 0.000 1.022 297 V CA -0.670 61.620 62.300 -0.017 0.000 0.850 297 V CB 0.914 32.727 31.823 -0.018 0.000 0.992 297 V HN 0.519 nan 8.190 nan 0.000 0.426 298 Q N 3.176 122.962 119.800 -0.022 0.000 2.248 298 Q HA 0.629 4.971 4.340 0.002 0.000 0.263 298 Q C -0.751 175.231 176.000 -0.031 0.000 1.007 298 Q CA -0.926 54.863 55.803 -0.023 0.000 0.877 298 Q CB 2.713 31.439 28.738 -0.021 0.000 1.315 298 Q HN 0.781 nan 8.270 nan 0.000 0.454 299 R N 0.745 121.228 120.500 -0.027 0.000 2.255 299 R HA 0.425 4.766 4.340 0.002 0.000 0.326 299 R C -0.644 175.638 176.300 -0.031 0.000 0.986 299 R CA -0.240 55.840 56.100 -0.033 0.000 0.847 299 R CB 1.670 31.957 30.300 -0.022 0.000 1.111 299 R HN 0.386 nan 8.270 nan 0.000 0.452 300 S N 0.804 116.474 115.700 -0.049 0.000 2.648 300 S HA 0.177 4.649 4.470 0.002 0.000 0.305 300 S C 0.342 174.927 174.600 -0.024 0.000 1.094 300 S CA -0.668 57.511 58.200 -0.036 0.000 0.983 300 S CB 1.846 65.018 63.200 -0.047 0.000 1.101 300 S HN 0.750 nan 8.310 nan 0.000 0.514 301 E N 0.993 121.210 120.200 0.028 0.000 2.481 301 E HA 0.347 4.698 4.350 0.002 0.000 0.198 301 E C -0.296 176.426 176.600 0.202 0.000 1.027 301 E CA -0.001 56.465 56.400 0.110 0.000 0.900 301 E CB 0.265 30.023 29.700 0.097 0.000 0.993 301 E HN 0.622 nan 8.360 nan 0.000 0.482 302 I N 0.759 121.397 120.570 0.113 0.000 2.577 302 I HA 0.188 4.359 4.170 0.002 0.000 0.300 302 I C -0.656 175.549 176.117 0.147 0.000 0.990 302 I CA -0.726 60.679 61.300 0.175 0.000 1.283 302 I CB 0.930 38.974 38.000 0.072 0.000 1.411 302 I HN -0.055 nan 8.210 nan 0.000 0.515 303 Y N 4.464 124.800 120.300 0.060 0.000 2.376 303 Y HA 0.181 4.732 4.550 0.002 0.000 0.326 303 Y C 0.645 176.573 175.900 0.045 0.000 0.970 303 Y CA -0.710 57.434 58.100 0.073 0.000 1.248 303 Y CB 1.634 40.181 38.460 0.145 0.000 1.117 303 Y HN 0.460 nan 8.280 nan 0.000 0.476 304 L N 2.045 123.331 121.223 0.106 0.000 2.081 304 L HA -0.161 4.180 4.340 0.002 0.000 0.212 304 L C 0.393 177.355 176.870 0.153 0.000 1.080 304 L CA 2.070 56.971 54.840 0.102 0.000 0.754 304 L CB -0.178 41.934 42.059 0.088 0.000 0.893 304 L HN 0.603 nan 8.230 nan 0.000 0.433 305 Q N -0.813 119.087 119.800 0.167 0.000 2.399 305 Q HA 0.383 4.724 4.340 0.002 0.000 0.276 305 Q C -0.726 175.398 176.000 0.207 0.000 1.098 305 Q CA -1.091 54.802 55.803 0.150 0.000 0.827 305 Q CB 1.967 30.780 28.738 0.126 0.000 1.386 305 Q HN -0.078 nan 8.270 nan 0.000 0.443 306 K N 0.261 120.744 120.400 0.139 0.000 2.168 306 K HA 0.636 4.957 4.320 0.002 0.000 0.239 306 K C -0.386 176.348 176.600 0.222 0.000 0.999 306 K CA -0.662 55.722 56.287 0.161 0.000 0.900 306 K CB 1.009 33.508 32.500 -0.001 0.000 1.111 306 K HN 0.741 nan 8.250 nan 0.000 0.452 307 A N 0.506 123.483 122.820 0.261 0.000 2.429 307 A HA 0.031 4.352 4.320 0.002 0.000 0.242 307 A C 0.590 178.350 177.584 0.294 0.000 1.088 307 A CA 0.200 52.373 52.037 0.228 0.000 0.784 307 A CB -0.244 18.834 19.000 0.132 0.000 1.038 307 A HN 0.617 nan 8.150 nan 0.000 0.501 308 Y N 1.103 121.433 120.300 0.049 0.000 2.102 308 Y HA -0.256 4.295 4.550 0.001 0.000 0.280 308 Y C 3.062 178.983 175.900 0.035 0.000 1.178 308 Y CA 2.009 60.126 58.100 0.030 0.000 1.146 308 Y CB -1.300 37.174 38.460 0.023 0.000 0.968 308 Y HN 0.776 nan 8.280 nan 0.000 0.504 309 S N -0.652 115.176 115.700 0.214 0.000 2.465 309 S HA -0.119 4.352 4.470 0.002 0.000 0.241 309 S C 1.489 176.164 174.600 0.125 0.000 1.000 309 S CA 1.290 59.571 58.200 0.136 0.000 0.964 309 S CB -0.677 62.580 63.200 0.095 0.000 0.763 309 S HN 0.495 nan 8.310 nan 0.000 0.512 310 L N -0.621 120.686 121.223 0.140 0.000 2.858 310 L HA 0.467 4.808 4.340 0.002 0.000 0.251 310 L C 2.208 179.148 176.870 0.117 0.000 1.149 310 L CA -0.060 54.862 54.840 0.137 0.000 0.955 310 L CB 0.216 42.347 42.059 0.121 0.000 1.289 310 L HN 0.243 nan 8.230 nan 0.000 0.542 311 R N 0.407 120.944 120.500 0.062 0.000 2.470 311 R HA 0.274 4.616 4.340 0.002 0.000 0.210 311 R C 1.269 177.487 176.300 -0.138 0.000 0.873 311 R CA 0.738 56.789 56.100 -0.082 0.000 1.015 311 R CB 0.383 30.659 30.300 -0.040 0.000 1.348 311 R HN 0.087 nan 8.270 nan 0.000 0.650 312 A N 0.886 123.672 122.820 -0.057 0.000 2.797 312 A HA 0.249 4.570 4.320 0.002 0.000 0.287 312 A C 0.806 178.399 177.584 0.014 0.000 1.369 312 A CA -0.208 51.783 52.037 -0.077 0.000 0.968 312 A CB -0.316 18.592 19.000 -0.154 0.000 1.069 312 A HN 0.240 nan 8.150 nan 0.000 0.571 313 I N 0.369 120.989 120.570 0.083 0.000 2.202 313 I HA -0.064 4.108 4.170 0.002 0.000 0.242 313 I C -0.627 175.561 176.117 0.118 0.000 1.091 313 I CA 1.260 62.643 61.300 0.138 0.000 1.368 313 I CB -0.901 37.255 38.000 0.260 0.000 1.058 313 I HN 0.196 nan 8.210 nan 0.000 0.410 314 P HA -0.189 nan 4.420 nan 0.000 0.215 314 P C 1.561 178.915 177.300 0.090 0.000 1.157 314 P CA 1.410 64.574 63.100 0.107 0.000 0.874 314 P CB 0.022 31.810 31.700 0.146 0.000 0.790 315 Q N -0.765 119.083 119.800 0.080 0.000 1.993 315 Q HA -0.109 4.233 4.340 0.002 0.000 0.202 315 Q C 2.186 178.180 176.000 -0.009 0.000 0.984 315 Q CA 1.483 57.304 55.803 0.031 0.000 0.837 315 Q CB -1.620 27.110 28.738 -0.013 0.000 0.902 315 Q HN 0.073 nan 8.270 nan 0.000 0.423 316 V N -0.182 119.729 119.914 -0.004 0.000 2.270 316 V HA -0.205 3.917 4.120 0.002 0.000 0.245 316 V C 2.163 178.248 176.094 -0.015 0.000 1.043 316 V CA 1.626 63.919 62.300 -0.010 0.000 1.014 316 V CB -0.728 31.101 31.823 0.011 0.000 0.645 316 V HN 0.181 nan 8.190 nan 0.000 0.447 317 V N 1.128 121.043 119.914 0.001 0.000 2.515 317 V HA -0.106 4.015 4.120 0.002 0.000 0.250 317 V C 2.647 178.718 176.094 -0.040 0.000 1.058 317 V CA 1.926 64.219 62.300 -0.011 0.000 1.064 317 V CB -1.493 30.335 31.823 0.008 0.000 0.675 317 V HN 0.597 nan 8.190 nan 0.000 0.461 318 G N -0.043 108.742 108.800 -0.025 0.000 2.422 318 G HA2 -0.189 3.772 3.960 0.002 0.000 0.218 318 G HA3 -0.189 3.772 3.960 0.002 0.000 0.218 318 G C 1.758 176.604 174.900 -0.090 0.000 1.146 318 G CA 1.012 46.089 45.100 -0.037 0.000 0.769 318 G HN 0.599 nan 8.290 nan 0.000 0.547 319 A N 0.164 122.927 122.820 -0.095 0.000 1.933 319 A HA 0.082 4.403 4.320 0.002 0.000 0.218 319 A C 2.602 180.116 177.584 -0.116 0.000 1.175 319 A CA 1.802 53.761 52.037 -0.129 0.000 0.628 319 A CB -0.548 18.378 19.000 -0.123 0.000 0.814 319 A HN 0.257 nan 8.150 nan 0.000 0.444 320 V N -0.015 119.841 119.914 -0.097 0.000 2.295 320 V HA -0.285 3.837 4.120 0.002 0.000 0.246 320 V C 2.602 178.599 176.094 -0.161 0.000 1.049 320 V CA 2.255 64.502 62.300 -0.087 0.000 1.024 320 V CB -0.869 30.922 31.823 -0.055 0.000 0.648 320 V HN 0.527 nan 8.190 nan 0.000 0.447 321 R N -0.021 120.324 120.500 -0.257 0.000 2.103 321 R HA -0.201 4.140 4.340 0.002 0.000 0.242 321 R C 2.116 177.935 176.300 -0.802 0.000 1.142 321 R CA 1.929 57.673 56.100 -0.593 0.000 0.960 321 R CB -0.536 29.400 30.300 -0.607 0.000 0.858 321 R HN 0.508 nan 8.270 nan 0.000 0.439 322 D N -0.516 119.653 120.400 -0.386 0.000 2.149 322 D HA -0.114 4.527 4.640 0.002 0.000 0.198 322 D C 1.741 178.043 176.300 0.004 0.000 0.990 322 D CA 1.518 55.451 54.000 -0.112 0.000 0.839 322 D CB -0.214 40.568 40.800 -0.030 0.000 0.948 322 D HN 0.235 nan 8.370 nan 0.000 0.460 323 T N 0.478 115.011 114.554 -0.036 0.000 2.857 323 T HA 0.019 4.370 4.350 0.002 0.000 0.266 323 T C 2.197 176.979 174.700 0.138 0.000 1.048 323 T CA 0.363 62.505 62.100 0.071 0.000 1.139 323 T CB -0.077 68.815 68.868 0.040 0.000 0.874 323 T HN 0.127 nan 8.240 nan 0.000 0.455 324 L N -0.333 120.905 121.223 0.025 0.000 2.156 324 L HA -0.039 4.303 4.340 0.002 0.000 0.208 324 L C 2.448 179.445 176.870 0.212 0.000 1.095 324 L CA 1.111 55.997 54.840 0.077 0.000 0.770 324 L CB -0.565 41.488 42.059 -0.009 0.000 0.914 324 L HN 0.231 nan 8.230 nan 0.000 0.439 325 Y N -0.993 119.389 120.300 0.137 0.000 2.163 325 Y HA -0.240 4.312 4.550 0.003 0.000 0.288 325 Y C 2.823 178.832 175.900 0.182 0.000 1.136 325 Y CA 1.015 59.192 58.100 0.129 0.000 1.147 325 Y CB -1.177 37.346 38.460 0.106 0.000 0.987 325 Y HN 0.253 nan 8.280 nan 0.000 0.509 326 H N 0.160 119.413 119.070 0.304 0.000 2.387 326 H HA -0.116 4.442 4.556 0.003 0.000 0.299 326 H C 2.067 177.545 175.328 0.251 0.000 1.090 326 H CA 1.433 57.652 56.048 0.286 0.000 1.332 326 H CB 0.019 29.929 29.762 0.245 0.000 1.386 326 H HN 0.294 nan 8.280 nan 0.000 0.516 327 A N 1.638 124.631 122.820 0.289 0.000 1.873 327 A HA -0.157 4.164 4.320 0.002 0.000 0.215 327 A C 2.629 180.277 177.584 0.107 0.000 1.186 327 A CA 1.447 53.590 52.037 0.178 0.000 0.616 327 A CB -0.705 18.407 19.000 0.187 0.000 0.823 327 A HN 0.484 nan 8.150 nan 0.000 0.442 328 R N -1.010 119.581 120.500 0.152 0.000 2.091 328 R HA -0.238 4.104 4.340 0.002 0.000 0.238 328 R C 2.153 178.527 176.300 0.124 0.000 1.136 328 R CA 1.982 58.158 56.100 0.127 0.000 0.959 328 R CB -0.664 29.726 30.300 0.150 0.000 0.856 328 R HN 0.843 nan 8.270 nan 0.000 0.437 329 H N 0.304 119.375 119.070 0.002 0.000 2.290 329 H HA -0.120 4.437 4.556 0.002 0.000 0.298 329 H C 1.464 176.747 175.328 -0.075 0.000 1.087 329 H CA 1.584 57.604 56.048 -0.047 0.000 1.291 329 H CB 0.224 29.935 29.762 -0.085 0.000 1.369 329 H HN 0.085 nan 8.280 nan 0.000 0.492 330 K N 0.645 120.915 120.400 -0.216 0.000 2.097 330 K HA -0.109 4.213 4.320 0.002 0.000 0.206 330 K C 2.470 179.006 176.600 -0.106 0.000 1.049 330 K CA 0.642 56.776 56.287 -0.255 0.000 0.933 330 K CB -0.323 32.052 32.500 -0.209 0.000 0.717 330 K HN 0.409 nan 8.250 nan 0.000 0.442 331 L N 0.297 121.498 121.223 -0.036 0.000 2.093 331 L HA -0.103 4.238 4.340 0.002 0.000 0.208 331 L C 2.785 179.655 176.870 0.000 0.000 1.085 331 L CA 0.935 55.770 54.840 -0.009 0.000 0.755 331 L CB -0.274 41.795 42.059 0.017 0.000 0.904 331 L HN 0.159 nan 8.230 nan 0.000 0.435 332 R N 0.597 121.110 120.500 0.020 0.000 2.075 332 R HA -0.137 4.204 4.340 0.002 0.000 0.232 332 R C 2.271 178.582 176.300 0.019 0.000 1.126 332 R CA 1.347 57.468 56.100 0.035 0.000 0.963 332 R CB -0.136 30.208 30.300 0.073 0.000 0.858 332 R HN 0.268 nan 8.270 nan 0.000 0.435 333 I N 0.480 121.046 120.570 -0.006 0.000 2.163 333 I HA -0.226 3.945 4.170 0.002 0.000 0.240 333 I C 2.359 178.460 176.117 -0.026 0.000 1.081 333 I CA 1.375 62.659 61.300 -0.026 0.000 1.353 333 I CB -0.328 37.617 38.000 -0.092 0.000 1.054 333 I HN 0.252 nan 8.210 nan 0.000 0.407 334 E N 1.432 121.610 120.200 -0.037 0.000 2.085 334 E HA -0.208 4.143 4.350 0.002 0.000 0.194 334 E C 2.173 178.768 176.600 -0.010 0.000 0.994 334 E CA 1.404 57.788 56.400 -0.026 0.000 0.801 334 E CB -0.327 29.355 29.700 -0.030 0.000 0.743 334 E HN 0.361 nan 8.360 nan 0.000 0.453 335 L N 0.497 121.717 121.223 -0.005 0.000 2.013 335 L HA -0.189 4.152 4.340 0.002 0.000 0.212 335 L C 1.025 177.899 176.870 0.007 0.000 1.073 335 L CA 1.285 56.126 54.840 0.001 0.000 0.753 335 L CB -0.353 41.709 42.059 0.005 0.000 0.890 335 L HN 0.165 nan 8.230 nan 0.000 0.432 336 N N 0.359 119.065 118.700 0.010 0.000 2.575 336 N HA 0.057 4.798 4.740 0.002 0.000 0.275 336 N C -0.255 175.267 175.510 0.021 0.000 1.202 336 N CA 0.119 53.180 53.050 0.018 0.000 0.945 336 N CB 0.344 38.844 38.487 0.021 0.000 1.247 336 N HN 0.255 nan 8.380 nan 0.000 0.510 337 S N -1.323 114.386 115.700 0.015 0.000 2.600 337 S HA 0.703 5.174 4.470 0.002 0.000 0.300 337 S C -0.155 174.459 174.600 0.022 0.000 1.087 337 S CA -0.954 57.252 58.200 0.009 0.000 0.965 337 S CB 2.407 65.602 63.200 -0.009 0.000 1.089 337 S HN 0.115 nan 8.310 nan 0.000 0.496 338 A N 2.815 125.644 122.820 0.016 0.000 3.078 338 A HA 0.303 4.624 4.320 0.002 0.000 0.279 338 A C 0.590 178.191 177.584 0.028 0.000 1.594 338 A CA -0.888 51.168 52.037 0.033 0.000 1.301 338 A CB -1.102 17.911 19.000 0.021 0.000 1.162 338 A HN 0.762 nan 8.150 nan 0.000 0.585 339 N N 1.516 120.237 118.700 0.036 0.000 2.807 339 N HA 0.217 4.958 4.740 0.002 0.000 0.259 339 N C -0.995 174.572 175.510 0.094 0.000 1.149 339 N CA -0.055 53.028 53.050 0.054 0.000 1.042 339 N CB 0.782 39.295 38.487 0.044 0.000 1.367 339 N HN 0.532 nan 8.380 nan 0.000 0.516 340 D N 0.649 121.118 120.400 0.115 0.000 2.643 340 D HA 0.481 5.122 4.640 0.002 0.000 0.283 340 D C -1.808 174.606 176.300 0.189 0.000 1.242 340 D CA -0.566 53.520 54.000 0.144 0.000 0.863 340 D CB 1.657 42.502 40.800 0.075 0.000 1.382 340 D HN 0.396 nan 8.370 nan 0.000 0.444 341 N N -0.132 118.695 118.700 0.211 0.000 2.710 341 N HA 0.397 5.139 4.740 0.002 0.000 0.257 341 N C -2.964 172.654 175.510 0.181 0.000 1.140 341 N CA -0.987 52.188 53.050 0.208 0.000 0.953 341 N CB 2.527 41.220 38.487 0.343 0.000 1.664 341 N HN 0.118 nan 8.380 nan 0.000 0.497 342 P HA 0.306 nan 4.420 nan 0.000 0.277 342 P C -0.840 176.484 177.300 0.041 0.000 1.271 342 P CA -0.383 62.669 63.100 -0.080 0.000 0.795 342 P CB 1.215 32.639 31.700 -0.461 0.000 1.101 343 L N -0.293 121.025 121.223 0.158 0.000 2.330 343 L HA 0.528 4.869 4.340 0.002 0.000 0.271 343 L C -0.013 176.912 176.870 0.091 0.000 1.013 343 L CA -0.945 53.972 54.840 0.128 0.000 0.816 343 L CB 1.361 43.536 42.059 0.195 0.000 1.287 343 L HN 0.306 nan 8.230 nan 0.000 0.435 344 F N 1.410 121.191 119.950 -0.283 0.000 2.480 344 F HA 0.711 5.239 4.527 0.002 0.000 0.329 344 F C -1.027 174.454 175.800 -0.532 0.000 1.091 344 F CA -0.483 57.390 58.000 -0.213 0.000 0.972 344 F CB 1.278 40.205 39.000 -0.122 0.000 1.150 344 F HN 0.125 nan 8.300 nan 0.000 0.467 345 F N 1.625 121.211 119.950 -0.606 0.000 2.726 345 F HA 0.300 4.828 4.527 0.002 0.000 0.324 345 F C -0.389 175.107 175.800 -0.506 0.000 1.140 345 F CA -1.095 56.732 58.000 -0.288 0.000 0.964 345 F CB 0.922 39.842 39.000 -0.133 0.000 1.399 345 F HN 0.361 nan 8.300 nan 0.000 0.491 346 E N 0.820 121.065 120.200 0.076 0.000 2.265 346 E HA 0.291 4.642 4.350 0.002 0.000 0.272 346 E C 0.593 177.185 176.600 -0.014 0.000 1.067 346 E CA 0.391 56.816 56.400 0.041 0.000 0.900 346 E CB 0.573 30.330 29.700 0.095 0.000 1.017 346 E HN 0.848 nan 8.360 nan 0.000 0.431 347 G N 4.487 113.268 108.800 -0.031 0.000 2.424 347 G HA2 -0.295 3.666 3.960 0.002 0.000 0.294 347 G HA3 -0.295 3.666 3.960 0.002 0.000 0.294 347 G C -0.045 174.837 174.900 -0.030 0.000 0.939 347 G CA 1.165 46.255 45.100 -0.017 0.000 1.143 347 G HN 0.448 nan 8.290 nan 0.000 0.507 348 K N -0.299 120.063 120.400 -0.064 0.000 2.385 348 K HA 0.521 4.842 4.320 0.002 0.000 0.248 348 K C 0.391 176.993 176.600 0.003 0.000 0.955 348 K CA -0.908 55.368 56.287 -0.019 0.000 0.816 348 K CB 1.095 33.603 32.500 0.013 0.000 1.250 348 K HN 0.104 nan 8.250 nan 0.000 0.434 349 E N 1.580 121.812 120.200 0.053 0.000 2.422 349 E HA 0.030 4.381 4.350 0.002 0.000 0.260 349 E C 0.147 176.852 176.600 0.176 0.000 1.108 349 E CA -0.072 56.385 56.400 0.095 0.000 0.943 349 E CB 0.393 30.147 29.700 0.090 0.000 0.961 349 E HN 0.388 nan 8.360 nan 0.000 0.443 350 I N 2.997 123.707 120.570 0.233 0.000 2.578 350 I HA -0.077 4.095 4.170 0.002 0.000 0.286 350 I C 0.559 176.944 176.117 0.446 0.000 1.126 350 I CA 0.019 61.520 61.300 0.335 0.000 1.380 350 I CB -1.272 36.977 38.000 0.415 0.000 1.408 350 I HN 0.336 nan 8.210 nan 0.000 0.532 351 F N 8.056 128.169 119.950 0.272 0.000 2.543 351 F HA 0.077 4.605 4.527 0.002 0.000 0.375 351 F C 0.126 176.032 175.800 0.177 0.000 1.075 351 F CA 0.141 58.295 58.000 0.257 0.000 1.225 351 F CB 0.092 39.270 39.000 0.298 0.000 1.099 351 F HN 0.380 nan 8.300 nan 0.000 0.561 352 H N 5.042 123.686 119.070 -0.710 0.000 2.697 352 H HA 0.473 5.030 4.556 0.002 0.000 0.270 352 H C 0.470 175.255 175.328 -0.906 0.000 1.188 352 H CA -0.193 55.513 56.048 -0.570 0.000 1.322 352 H CB 0.767 30.379 29.762 -0.251 0.000 1.405 352 H HN 0.765 nan 8.280 nan 0.000 0.502 353 G N 0.570 108.816 108.800 -0.923 0.000 3.286 353 G HA2 0.594 4.556 3.960 0.002 0.000 0.166 353 G HA3 0.594 4.556 3.960 0.002 0.000 0.166 353 G C -0.485 174.223 174.900 -0.321 0.000 1.155 353 G CA -0.260 44.498 45.100 -0.570 0.000 0.871 353 G HN 0.510 nan 8.290 nan 0.000 0.637 354 A N -0.656 121.932 122.820 -0.386 0.000 2.897 354 A HA 0.369 4.691 4.320 0.002 0.000 0.230 354 A C 0.469 177.499 177.584 -0.923 0.000 0.896 354 A CA -0.293 51.090 52.037 -1.089 0.000 1.114 354 A CB -0.536 18.050 19.000 -0.689 0.000 1.230 354 A HN 0.472 nan 8.150 nan 0.000 0.481 355 N N 0.137 118.574 118.700 -0.439 0.000 2.626 355 N HA -0.025 4.717 4.740 0.002 0.000 0.193 355 N C 0.897 176.337 175.510 -0.115 0.000 1.213 355 N CA 1.008 53.949 53.050 -0.181 0.000 0.914 355 N CB -0.258 38.220 38.487 -0.015 0.000 0.994 355 N HN 0.758 nan 8.380 nan 0.000 0.447 356 F N -1.435 118.565 119.950 0.083 0.000 2.765 356 F HA 0.222 4.750 4.527 0.002 0.000 0.302 356 F C 0.775 176.592 175.800 0.028 0.000 1.111 356 F CA -0.406 57.623 58.000 0.047 0.000 1.359 356 F CB -0.750 38.275 39.000 0.042 0.000 1.097 356 F HN 0.038 nan 8.300 nan 0.000 0.577 357 H N 1.853 120.940 119.070 0.029 0.000 2.944 357 H HA 0.283 4.840 4.556 0.002 0.000 0.278 357 H C 1.161 176.487 175.328 -0.003 0.000 1.083 357 H CA 0.250 56.346 56.048 0.081 0.000 1.479 357 H CB 1.447 31.170 29.762 -0.065 0.000 1.486 357 H HN 0.383 nan 8.280 nan 0.000 0.493 358 G N 3.739 112.504 108.800 -0.058 0.000 3.124 358 G HA2 -0.151 3.811 3.960 0.002 0.000 0.212 358 G HA3 -0.151 3.811 3.960 0.002 0.000 0.212 358 G C 1.355 176.216 174.900 -0.066 0.000 1.181 358 G CA -0.144 44.930 45.100 -0.043 0.000 0.803 358 G HN 0.513 nan 8.290 nan 0.000 0.529 359 Q N 1.588 121.408 119.800 0.032 0.000 2.118 359 Q HA -0.143 4.198 4.340 0.002 0.000 0.211 359 Q C 0.334 176.097 176.000 -0.394 0.000 0.998 359 Q CA 2.451 58.120 55.803 -0.223 0.000 0.872 359 Q CB -0.725 27.900 28.738 -0.188 0.000 0.925 359 Q HN 0.416 nan 8.270 nan 0.000 0.414 360 P HA -0.170 nan 4.420 nan 0.000 0.216 360 P C 0.885 178.137 177.300 -0.080 0.000 1.153 360 P CA 1.322 64.360 63.100 -0.103 0.000 0.858 360 P CB -0.102 31.565 31.700 -0.055 0.000 0.789 361 I N -0.551 119.967 120.570 -0.086 0.000 2.716 361 I HA 0.005 4.176 4.170 0.002 0.000 0.259 361 I C 2.545 178.613 176.117 -0.081 0.000 1.172 361 I CA 0.507 61.769 61.300 -0.063 0.000 1.478 361 I CB -1.981 35.992 38.000 -0.044 0.000 1.104 361 I HN -0.102 nan 8.210 nan 0.000 0.439 362 A N 1.170 123.917 122.820 -0.123 0.000 1.902 362 A HA -0.184 4.137 4.320 0.002 0.000 0.217 362 A C 2.109 179.647 177.584 -0.077 0.000 1.181 362 A CA 1.403 53.378 52.037 -0.104 0.000 0.623 362 A CB -0.740 18.172 19.000 -0.146 0.000 0.818 362 A HN 0.236 nan 8.150 nan 0.000 0.443 363 F N 0.131 119.917 119.950 -0.273 0.000 2.113 363 F HA -0.041 4.488 4.527 0.004 0.000 0.297 363 F C 2.898 178.024 175.800 -1.124 0.000 1.103 363 F CA 0.273 57.865 58.000 -0.680 0.000 1.248 363 F CB -1.320 37.383 39.000 -0.496 0.000 0.999 363 F HN 0.283 nan 8.300 nan 0.000 0.475 364 A N 0.045 122.665 122.820 -0.333 0.000 1.892 364 A HA -0.242 4.079 4.320 0.002 0.000 0.218 364 A C 2.225 179.752 177.584 -0.095 0.000 1.188 364 A CA 2.123 54.070 52.037 -0.150 0.000 0.631 364 A CB -0.664 18.350 19.000 0.023 0.000 0.822 364 A HN 0.213 nan 8.150 nan 0.000 0.447 365 M N -0.458 119.098 119.600 -0.073 0.000 2.229 365 M HA -0.072 4.409 4.480 0.002 0.000 0.264 365 M C 1.424 177.735 176.300 0.018 0.000 1.063 365 M CA 1.183 56.483 55.300 -0.001 0.000 1.114 365 M CB -1.600 31.005 32.600 0.009 0.000 1.387 365 M HN 0.312 nan 8.290 nan 0.000 0.420 366 D N 0.121 120.499 120.400 -0.037 0.000 2.144 366 D HA -0.104 4.537 4.640 0.002 0.000 0.199 366 D C 1.847 178.276 176.300 0.216 0.000 0.984 366 D CA 1.065 55.105 54.000 0.066 0.000 0.834 366 D CB -0.103 40.743 40.800 0.077 0.000 0.955 366 D HN 0.209 nan 8.370 nan 0.000 0.465 367 F N 0.297 120.296 119.950 0.081 0.000 2.234 367 F HA -0.055 4.474 4.527 0.003 0.000 0.299 367 F C 2.451 178.277 175.800 0.043 0.000 1.087 367 F CA 0.057 58.083 58.000 0.043 0.000 1.340 367 F CB -1.195 37.828 39.000 0.038 0.000 1.031 367 F HN -0.131 nan 8.300 nan 0.000 0.500 368 V N -0.338 119.712 119.914 0.227 0.000 2.358 368 V HA -0.266 3.855 4.120 0.002 0.000 0.246 368 V C 2.306 178.467 176.094 0.111 0.000 1.047 368 V CA 2.293 64.680 62.300 0.144 0.000 1.035 368 V CB -1.118 30.771 31.823 0.111 0.000 0.658 368 V HN 0.326 nan 8.190 nan 0.000 0.452 369 T N 0.412 115.031 114.554 0.110 0.000 2.684 369 T HA -0.180 4.172 4.350 0.002 0.000 0.267 369 T C 1.803 176.553 174.700 0.085 0.000 1.036 369 T CA 1.965 64.118 62.100 0.088 0.000 1.148 369 T CB -0.291 68.629 68.868 0.086 0.000 0.863 369 T HN 0.341 nan 8.240 nan 0.000 0.436 370 I N 1.176 121.809 120.570 0.105 0.000 2.142 370 I HA -0.184 3.987 4.170 0.002 0.000 0.240 370 I C 2.960 179.109 176.117 0.053 0.000 1.078 370 I CA 1.187 62.533 61.300 0.077 0.000 1.343 370 I CB -0.562 37.486 38.000 0.080 0.000 1.046 370 I HN 0.197 nan 8.210 nan 0.000 0.405 371 A N 1.061 123.917 122.820 0.060 0.000 1.883 371 A HA -0.194 4.127 4.320 0.002 0.000 0.217 371 A C 2.315 179.918 177.584 0.031 0.000 1.186 371 A CA 1.564 53.620 52.037 0.032 0.000 0.624 371 A CB -1.009 18.011 19.000 0.035 0.000 0.822 371 A HN 0.393 nan 8.150 nan 0.000 0.444 372 L N -0.742 120.508 121.223 0.045 0.000 2.079 372 L HA -0.176 4.165 4.340 0.002 0.000 0.210 372 L C 2.760 179.654 176.870 0.040 0.000 1.081 372 L CA 1.753 56.618 54.840 0.042 0.000 0.752 372 L CB -0.928 41.162 42.059 0.051 0.000 0.896 372 L HN 0.376 nan 8.230 nan 0.000 0.433 373 T N -1.251 113.328 114.554 0.042 0.000 2.788 373 T HA -0.266 4.085 4.350 0.002 0.000 0.268 373 T C 1.827 176.547 174.700 0.033 0.000 1.044 373 T CA 1.502 63.625 62.100 0.039 0.000 1.139 373 T CB -0.109 68.783 68.868 0.040 0.000 0.867 373 T HN 0.222 nan 8.240 nan 0.000 0.454 374 Q N 0.628 120.444 119.800 0.027 0.000 2.123 374 Q HA 0.046 4.388 4.340 0.002 0.000 0.199 374 Q C 2.066 178.081 176.000 0.025 0.000 0.966 374 Q CA 0.941 56.757 55.803 0.022 0.000 0.845 374 Q CB -0.655 28.090 28.738 0.011 0.000 0.907 374 Q HN 0.422 nan 8.270 nan 0.000 0.439 375 L N -0.255 120.982 121.223 0.024 0.000 2.079 375 L HA -0.023 4.319 4.340 0.002 0.000 0.210 375 L C 1.945 178.835 176.870 0.033 0.000 1.081 375 L CA 2.397 57.252 54.840 0.026 0.000 0.752 375 L CB -0.954 41.120 42.059 0.026 0.000 0.896 375 L HN 0.324 nan 8.230 nan 0.000 0.433 376 G N -1.703 107.119 108.800 0.037 0.000 2.403 376 G HA2 -0.124 3.837 3.960 0.002 0.000 0.216 376 G HA3 -0.124 3.837 3.960 0.002 0.000 0.216 376 G C 1.531 176.454 174.900 0.040 0.000 1.154 376 G CA 0.740 45.865 45.100 0.041 0.000 0.784 376 G HN 0.296 nan 8.290 nan 0.000 0.538 377 V N 0.843 120.780 119.914 0.037 0.000 2.287 377 V HA -0.166 3.955 4.120 0.002 0.000 0.248 377 V C 2.696 178.814 176.094 0.039 0.000 1.053 377 V CA 1.790 64.113 62.300 0.038 0.000 1.027 377 V CB -0.423 31.422 31.823 0.035 0.000 0.646 377 V HN 0.375 nan 8.190 nan 0.000 0.447 378 L N 0.741 121.987 121.223 0.039 0.000 2.046 378 L HA -0.061 4.280 4.340 0.002 0.000 0.208 378 L C 2.403 179.294 176.870 0.035 0.000 1.077 378 L CA 2.384 57.249 54.840 0.042 0.000 0.747 378 L CB -1.002 41.082 42.059 0.041 0.000 0.896 378 L HN 0.220 nan 8.230 nan 0.000 0.432 379 A N -0.371 122.467 122.820 0.030 0.000 1.902 379 A HA -0.241 4.080 4.320 0.002 0.000 0.217 379 A C 2.215 179.813 177.584 0.023 0.000 1.181 379 A CA 1.653 53.702 52.037 0.020 0.000 0.623 379 A CB -0.740 18.276 19.000 0.027 0.000 0.818 379 A HN 0.633 nan 8.150 nan 0.000 0.443 380 E N -0.056 120.164 120.200 0.034 0.000 2.051 380 E HA -0.204 4.148 4.350 0.002 0.000 0.192 380 E C 2.039 178.660 176.600 0.035 0.000 0.991 380 E CA 1.456 57.880 56.400 0.040 0.000 0.799 380 E CB -0.260 29.468 29.700 0.048 0.000 0.748 380 E HN 0.351 nan 8.360 nan 0.000 0.449 381 R N 0.277 120.797 120.500 0.034 0.000 2.152 381 R HA -0.068 4.274 4.340 0.002 0.000 0.232 381 R C 2.349 178.662 176.300 0.021 0.000 1.117 381 R CA 1.563 57.681 56.100 0.029 0.000 0.981 381 R CB -0.415 29.906 30.300 0.034 0.000 0.870 381 R HN 0.513 nan 8.270 nan 0.000 0.451 382 Q N -0.114 119.697 119.800 0.020 0.000 2.123 382 Q HA -0.003 4.339 4.340 0.002 0.000 0.199 382 Q C 2.182 178.176 176.000 -0.010 0.000 0.966 382 Q CA 0.917 56.726 55.803 0.010 0.000 0.845 382 Q CB -0.023 28.717 28.738 0.003 0.000 0.907 382 Q HN 0.306 nan 8.270 nan 0.000 0.439 383 I N 0.952 121.518 120.570 -0.007 0.000 2.179 383 I HA -0.297 3.874 4.170 0.002 0.000 0.242 383 I C 2.167 178.278 176.117 -0.011 0.000 1.088 383 I CA 1.235 62.527 61.300 -0.013 0.000 1.357 383 I CB -0.293 37.718 38.000 0.017 0.000 1.051 383 I HN 0.273 nan 8.210 nan 0.000 0.409 384 N N 0.978 119.682 118.700 0.007 0.000 2.149 384 N HA -0.259 4.483 4.740 0.002 0.000 0.188 384 N C 1.928 177.412 175.510 -0.043 0.000 1.019 384 N CA 1.314 54.367 53.050 0.005 0.000 0.857 384 N CB -0.070 38.431 38.487 0.022 0.000 0.997 384 N HN 0.040 nan 8.380 nan 0.000 0.426 385 R N -0.022 120.454 120.500 -0.040 0.000 2.083 385 R HA -0.059 4.282 4.340 0.002 0.000 0.237 385 R C 2.072 178.313 176.300 -0.098 0.000 1.137 385 R CA 1.509 57.571 56.100 -0.063 0.000 0.951 385 R CB -0.997 29.298 30.300 -0.009 0.000 0.851 385 R HN 0.252 nan 8.270 nan 0.000 0.434 386 V N -0.133 119.732 119.914 -0.081 0.000 2.788 386 V HA 0.022 4.143 4.120 0.002 0.000 0.251 386 V C 1.713 177.711 176.094 -0.160 0.000 1.068 386 V CA 1.239 63.477 62.300 -0.104 0.000 1.090 386 V CB -0.077 31.687 31.823 -0.097 0.000 0.710 386 V HN 0.364 nan 8.190 nan 0.000 0.467 387 L N 0.309 121.434 121.223 -0.162 0.000 2.341 387 L HA 0.129 4.470 4.340 0.002 0.000 0.214 387 L C 1.050 177.590 176.870 -0.551 0.000 1.115 387 L CA 0.357 55.055 54.840 -0.236 0.000 0.820 387 L CB -0.316 41.728 42.059 -0.025 0.000 0.944 387 L HN 0.321 nan 8.230 nan 0.000 0.452 388 N N 1.069 119.527 118.700 -0.403 0.000 2.420 388 N HA 0.034 4.776 4.740 0.002 0.000 0.249 388 N C 1.172 176.448 175.510 -0.390 0.000 1.033 388 N CA -0.171 52.610 53.050 -0.450 0.000 0.944 388 N CB 1.118 39.465 38.487 -0.233 0.000 1.113 388 N HN 0.215 nan 8.380 nan 0.000 0.502 389 R N 3.012 123.229 120.500 -0.473 0.000 2.170 389 R HA -0.142 4.199 4.340 0.002 0.000 0.242 389 R C 0.645 176.777 176.300 -0.280 0.000 1.145 389 R CA 1.531 57.414 56.100 -0.362 0.000 0.984 389 R CB -0.524 29.552 30.300 -0.373 0.000 0.869 389 R HN 0.640 nan 8.270 nan 0.000 0.455 390 H N -0.147 118.799 119.070 -0.206 0.000 2.547 390 H HA 0.147 4.704 4.556 0.002 0.000 0.272 390 H C 1.271 176.429 175.328 -0.282 0.000 0.989 390 H CA 0.877 56.813 56.048 -0.188 0.000 1.214 390 H CB 0.302 29.984 29.762 -0.133 0.000 1.389 390 H HN 0.193 nan 8.280 nan 0.000 0.577 391 L N -0.942 120.135 121.223 -0.243 0.000 2.948 391 L HA 0.097 4.438 4.340 0.002 0.000 0.259 391 L C 1.906 178.397 176.870 -0.631 0.000 1.136 391 L CA 0.206 54.776 54.840 -0.449 0.000 0.959 391 L CB 0.321 42.204 42.059 -0.292 0.000 1.370 391 L HN 0.109 nan 8.230 nan 0.000 0.552 392 S N -0.887 114.584 115.700 -0.382 0.000 2.547 392 S HA -0.140 4.332 4.470 0.002 0.000 0.235 392 S C 0.650 175.195 174.600 -0.093 0.000 0.980 392 S CA 0.213 58.280 58.200 -0.222 0.000 0.941 392 S CB -0.519 62.586 63.200 -0.158 0.000 0.763 392 S HN 0.483 nan 8.310 nan 0.000 0.532 393 Y N -0.003 120.222 120.300 -0.126 0.000 4.366 393 Y HA -0.154 4.397 4.550 0.002 0.000 0.236 393 Y C 1.437 177.291 175.900 -0.076 0.000 1.142 393 Y CA 0.495 58.526 58.100 -0.117 0.000 2.024 393 Y CB -1.770 36.623 38.460 -0.111 0.000 1.621 393 Y HN 0.576 nan 8.280 nan 0.000 0.694 394 G N -1.798 107.006 108.800 0.006 0.000 3.288 394 G HA2 -0.153 3.808 3.960 0.002 0.000 0.195 394 G HA3 -0.153 3.808 3.960 0.002 0.000 0.195 394 G C 0.182 175.067 174.900 -0.025 0.000 1.093 394 G CA -0.387 44.715 45.100 0.004 0.000 0.852 394 G HN 0.296 nan 8.290 nan 0.000 0.453 395 L N 3.465 124.669 121.223 -0.033 0.000 2.503 395 L HA 0.281 4.623 4.340 0.002 0.000 0.287 395 L C -1.237 175.588 176.870 -0.076 0.000 1.252 395 L CA -1.068 53.743 54.840 -0.050 0.000 0.835 395 L CB -0.310 41.712 42.059 -0.061 0.000 1.099 395 L HN 0.195 nan 8.230 nan 0.000 0.516 396 P HA 0.045 nan 4.420 nan 0.000 0.274 396 P C -0.884 176.359 177.300 -0.096 0.000 1.231 396 P CA -0.571 62.496 63.100 -0.056 0.000 0.790 396 P CB 0.406 32.099 31.700 -0.012 0.000 0.951 397 E N 2.416 122.550 120.200 -0.110 0.000 2.558 397 E HA -0.136 4.216 4.350 0.002 0.000 0.255 397 E C -0.192 176.384 176.600 -0.040 0.000 0.968 397 E CA -0.049 56.223 56.400 -0.213 0.000 0.939 397 E CB -0.504 29.155 29.700 -0.069 0.000 0.921 397 E HN 0.440 nan 8.360 nan 0.000 0.477 398 F N 1.301 121.237 119.950 -0.024 0.000 3.097 398 F HA -0.273 4.255 4.527 0.002 0.000 0.278 398 F C 0.887 176.719 175.800 0.054 0.000 0.917 398 F CA 0.811 58.818 58.000 0.012 0.000 0.962 398 F CB -1.926 37.087 39.000 0.021 0.000 0.964 398 F HN 0.566 nan 8.300 nan 0.000 0.668 399 L N -2.510 118.757 121.223 0.073 0.000 3.781 399 L HA -0.284 4.057 4.340 0.002 0.000 0.426 399 L C 0.261 177.209 176.870 0.130 0.000 1.197 399 L CA 0.019 54.893 54.840 0.056 0.000 0.907 399 L CB -2.057 39.981 42.059 -0.036 0.000 1.812 399 L HN 0.121 nan 8.230 nan 0.000 0.956 400 V N -0.262 119.731 119.914 0.132 0.000 2.686 400 V HA 0.080 4.201 4.120 0.002 0.000 0.295 400 V C 1.540 177.664 176.094 0.050 0.000 1.055 400 V CA 0.893 63.259 62.300 0.111 0.000 1.050 400 V CB 1.656 33.556 31.823 0.128 0.000 0.984 400 V HN 0.421 nan 8.190 nan 0.000 0.482 401 S N 2.582 118.286 115.700 0.007 0.000 2.404 401 S HA 0.137 4.608 4.470 0.002 0.000 0.223 401 S C 1.246 175.826 174.600 -0.034 0.000 1.040 401 S CA 0.689 58.880 58.200 -0.014 0.000 0.957 401 S CB 0.212 63.395 63.200 -0.028 0.000 0.826 401 S HN 0.955 nan 8.310 nan 0.000 0.491 402 G N 1.469 110.215 108.800 -0.089 0.000 3.182 402 G HA2 0.229 4.190 3.960 0.002 0.000 0.167 402 G HA3 0.229 4.190 3.960 0.002 0.000 0.167 402 G C -0.949 173.979 174.900 0.046 0.000 1.537 402 G CA -0.392 44.678 45.100 -0.051 0.000 1.046 402 G HN 0.160 nan 8.290 nan 0.000 0.580 403 D N 2.492 122.975 120.400 0.137 0.000 2.338 403 D HA 0.263 4.904 4.640 0.002 0.000 0.255 403 D C -1.735 174.671 176.300 0.177 0.000 1.237 403 D CA -0.801 53.288 54.000 0.148 0.000 0.883 403 D CB 1.358 42.242 40.800 0.139 0.000 1.087 403 D HN 0.028 nan 8.370 nan 0.000 0.485 404 P HA 0.027 nan 4.420 nan 0.000 0.271 404 P C 1.043 178.397 177.300 0.089 0.000 1.244 404 P CA 0.114 63.287 63.100 0.122 0.000 0.793 404 P CB 0.927 32.690 31.700 0.106 0.000 0.984 405 G N 0.170 109.012 108.800 0.070 0.000 3.548 405 G HA2 -0.385 3.577 3.960 0.002 0.000 0.224 405 G HA3 -0.385 3.577 3.960 0.002 0.000 0.224 405 G C 0.916 175.813 174.900 -0.005 0.000 1.351 405 G CA 0.577 45.693 45.100 0.027 0.000 0.905 405 G HN 0.570 nan 8.290 nan 0.000 0.561 406 L N 1.627 122.846 121.223 -0.006 0.000 2.046 406 L HA 0.281 4.622 4.340 0.002 0.000 0.208 406 L C 1.203 177.941 176.870 -0.220 0.000 1.077 406 L CA 2.185 56.964 54.840 -0.102 0.000 0.747 406 L CB -0.507 41.509 42.059 -0.072 0.000 0.896 406 L HN 0.601 nan 8.230 nan 0.000 0.432 407 H N -2.192 116.883 119.070 0.009 0.000 2.469 407 H HA 0.367 4.924 4.556 0.002 0.000 0.342 407 H C 0.950 176.280 175.328 0.003 0.000 1.115 407 H CA 0.062 56.114 56.048 0.007 0.000 1.204 407 H CB 1.614 31.389 29.762 0.022 0.000 1.492 407 H HN -0.116 nan 8.280 nan 0.000 0.499 408 S N 1.702 117.454 115.700 0.088 0.000 2.486 408 S HA 0.152 4.623 4.470 0.002 0.000 0.220 408 S C 1.516 176.143 174.600 0.044 0.000 1.011 408 S CA 0.435 58.634 58.200 -0.002 0.000 0.921 408 S CB 0.158 63.307 63.200 -0.085 0.000 0.785 408 S HN 1.085 nan 8.310 nan 0.000 0.517 409 G N 1.776 110.631 108.800 0.093 0.000 2.565 409 G HA2 -0.327 3.635 3.960 0.002 0.000 0.295 409 G HA3 -0.327 3.635 3.960 0.002 0.000 0.295 409 G C 0.346 175.283 174.900 0.062 0.000 1.165 409 G CA 0.553 45.736 45.100 0.139 0.000 0.977 409 G HN 0.413 nan 8.290 nan 0.000 0.546 410 F N 3.159 123.132 119.950 0.040 0.000 2.727 410 F HA 0.527 5.056 4.527 0.002 0.000 0.302 410 F C 2.633 178.389 175.800 -0.073 0.000 1.097 410 F CA 1.142 59.141 58.000 -0.002 0.000 1.330 410 F CB 0.056 39.074 39.000 0.029 0.000 1.084 410 F HN 0.607 nan 8.300 nan 0.000 0.578 411 A N 0.351 123.167 122.820 -0.007 0.000 1.927 411 A HA -0.196 4.125 4.320 0.002 0.000 0.220 411 A C 2.592 179.839 177.584 -0.563 0.000 1.185 411 A CA 2.152 53.975 52.037 -0.357 0.000 0.639 411 A CB -1.376 17.233 19.000 -0.652 0.000 0.820 411 A HN 0.412 nan 8.150 nan 0.000 0.451 412 G N -1.197 107.368 108.800 -0.391 0.000 2.421 412 G HA2 0.137 4.099 3.960 0.002 0.000 0.217 412 G HA3 0.137 4.099 3.960 0.002 0.000 0.217 412 G C 1.617 176.313 174.900 -0.341 0.000 1.143 412 G CA 1.099 45.970 45.100 -0.381 0.000 0.784 412 G HN 0.832 nan 8.290 nan 0.000 0.541 413 A N 0.183 122.851 122.820 -0.252 0.000 2.067 413 A HA 0.009 4.330 4.320 0.002 0.000 0.219 413 A C 2.167 179.716 177.584 -0.059 0.000 1.158 413 A CA 1.742 53.699 52.037 -0.133 0.000 0.661 413 A CB -0.316 18.609 19.000 -0.124 0.000 0.801 413 A HN 0.471 nan 8.150 nan 0.000 0.452 414 Q N -1.431 118.280 119.800 -0.148 0.000 2.167 414 Q HA -0.202 4.139 4.340 0.002 0.000 0.202 414 Q C 1.511 177.517 176.000 0.011 0.000 0.970 414 Q CA 1.497 57.259 55.803 -0.068 0.000 0.855 414 Q CB -0.251 28.438 28.738 -0.081 0.000 0.911 414 Q HN 0.707 nan 8.270 nan 0.000 0.438 415 Y N 0.993 121.312 120.300 0.032 0.000 2.097 415 Y HA -0.166 4.385 4.550 0.002 0.000 0.282 415 Y C -0.500 175.408 175.900 0.013 0.000 1.152 415 Y CA 1.085 59.193 58.100 0.013 0.000 1.136 415 Y CB -1.983 36.470 38.460 -0.012 0.000 0.975 415 Y HN 0.338 nan 8.280 nan 0.000 0.498 416 P HA -0.118 nan 4.420 nan 0.000 0.220 416 P C 1.275 178.626 177.300 0.086 0.000 1.148 416 P CA 1.986 65.144 63.100 0.097 0.000 0.803 416 P CB -0.069 31.667 31.700 0.060 0.000 0.782 417 A N 0.337 123.212 122.820 0.091 0.000 1.855 417 A HA -0.120 4.201 4.320 0.002 0.000 0.215 417 A C 2.371 180.004 177.584 0.082 0.000 1.191 417 A CA 2.360 54.446 52.037 0.080 0.000 0.613 417 A CB -1.884 17.163 19.000 0.079 0.000 0.829 417 A HN 0.169 nan 8.150 nan 0.000 0.442 418 T N 0.273 114.890 114.554 0.104 0.000 2.833 418 T HA 0.039 4.390 4.350 0.002 0.000 0.269 418 T C 2.099 176.845 174.700 0.077 0.000 1.054 418 T CA 1.333 63.491 62.100 0.098 0.000 1.135 418 T CB -0.332 68.617 68.868 0.135 0.000 0.869 418 T HN 0.574 nan 8.240 nan 0.000 0.466 419 A N 1.134 124.001 122.820 0.079 0.000 1.897 419 A HA 0.108 4.430 4.320 0.002 0.000 0.215 419 A C 2.262 179.872 177.584 0.044 0.000 1.181 419 A CA 0.909 52.978 52.037 0.053 0.000 0.620 419 A CB -0.694 18.336 19.000 0.049 0.000 0.821 419 A HN 0.454 nan 8.150 nan 0.000 0.443 420 L N -0.418 120.834 121.223 0.049 0.000 2.083 420 L HA -0.147 4.194 4.340 0.002 0.000 0.209 420 L C 2.485 179.380 176.870 0.042 0.000 1.083 420 L CA 0.909 55.775 54.840 0.044 0.000 0.752 420 L CB -0.448 41.639 42.059 0.047 0.000 0.899 420 L HN 0.249 nan 8.230 nan 0.000 0.433 421 V N 0.021 119.962 119.914 0.045 0.000 2.407 421 V HA -0.294 3.828 4.120 0.002 0.000 0.248 421 V C 2.708 178.824 176.094 0.036 0.000 1.055 421 V CA 1.778 64.103 62.300 0.041 0.000 1.049 421 V CB -0.793 31.056 31.823 0.043 0.000 0.662 421 V HN 0.487 nan 8.190 nan 0.000 0.455 422 A N -0.461 122.379 122.820 0.034 0.000 1.873 422 A HA -0.252 4.070 4.320 0.002 0.000 0.215 422 A C 2.279 179.878 177.584 0.025 0.000 1.186 422 A CA 1.891 53.944 52.037 0.027 0.000 0.616 422 A CB -0.486 18.528 19.000 0.024 0.000 0.823 422 A HN 0.592 nan 8.150 nan 0.000 0.442 423 E N -0.092 120.123 120.200 0.026 0.000 2.077 423 E HA -0.207 4.144 4.350 0.002 0.000 0.193 423 E C 1.721 178.337 176.600 0.027 0.000 0.989 423 E CA 1.220 57.634 56.400 0.024 0.000 0.800 423 E CB -0.115 29.599 29.700 0.024 0.000 0.746 423 E HN 0.549 nan 8.360 nan 0.000 0.452 424 N N 0.562 119.281 118.700 0.031 0.000 2.166 424 N HA -0.139 4.603 4.740 0.002 0.000 0.186 424 N C 1.629 177.159 175.510 0.034 0.000 1.019 424 N CA 0.916 53.987 53.050 0.034 0.000 0.856 424 N CB -0.188 38.322 38.487 0.038 0.000 0.993 424 N HN 0.178 nan 8.380 nan 0.000 0.426 425 R N 0.088 120.607 120.500 0.031 0.000 2.235 425 R HA -0.013 4.329 4.340 0.002 0.000 0.213 425 R C 1.687 178.004 176.300 0.027 0.000 1.059 425 R CA 1.229 57.347 56.100 0.029 0.000 0.997 425 R CB -0.181 30.135 30.300 0.026 0.000 0.884 425 R HN 0.358 nan 8.270 nan 0.000 0.462 426 T N -1.860 112.709 114.554 0.026 0.000 3.148 426 T HA 0.163 4.515 4.350 0.002 0.000 0.253 426 T C 0.785 175.501 174.700 0.027 0.000 1.134 426 T CA 0.105 62.219 62.100 0.023 0.000 1.051 426 T CB -0.063 68.817 68.868 0.019 0.000 0.959 426 T HN -0.010 nan 8.240 nan 0.000 0.525 427 I N 2.430 123.019 120.570 0.031 0.000 2.301 427 I HA 0.496 4.668 4.170 0.002 0.000 0.292 427 I C 1.011 177.153 176.117 0.043 0.000 1.046 427 I CA -0.795 60.527 61.300 0.036 0.000 1.282 427 I CB 0.865 38.888 38.000 0.039 0.000 1.409 427 I HN 0.214 nan 8.210 nan 0.000 0.484 428 G N 6.463 115.289 108.800 0.043 0.000 2.462 428 G HA2 0.590 4.551 3.960 0.002 0.000 0.319 428 G HA3 0.590 4.551 3.960 0.002 0.000 0.319 428 G C -2.687 172.251 174.900 0.063 0.000 1.171 428 G CA -1.437 43.694 45.100 0.051 0.000 0.920 428 G HN 0.313 nan 8.290 nan 0.000 0.499 429 P HA 0.218 nan 4.420 nan 0.000 0.265 429 P C 0.330 177.685 177.300 0.090 0.000 1.187 429 P CA 0.317 63.477 63.100 0.100 0.000 0.766 429 P CB 1.313 33.085 31.700 0.119 0.000 0.820 430 A N 1.773 124.648 122.820 0.092 0.000 2.127 430 A HA 0.013 4.335 4.320 0.002 0.000 0.204 430 A C 1.817 179.455 177.584 0.091 0.000 1.243 430 A CA 0.740 52.823 52.037 0.077 0.000 0.887 430 A CB -0.928 18.106 19.000 0.057 0.000 0.933 430 A HN 0.508 nan 8.150 nan 0.000 0.479 431 S N 0.428 116.203 115.700 0.126 0.000 2.571 431 S HA -0.119 4.352 4.470 0.002 0.000 0.245 431 S C 1.389 176.108 174.600 0.198 0.000 0.976 431 S CA 1.742 60.033 58.200 0.152 0.000 0.954 431 S CB -0.909 62.462 63.200 0.284 0.000 0.756 431 S HN 0.749 nan 8.310 nan 0.000 0.535 432 T N -2.998 111.661 114.554 0.175 0.000 3.003 432 T HA 0.238 4.590 4.350 0.002 0.000 0.261 432 T C 0.956 175.721 174.700 0.108 0.000 1.003 432 T CA -0.409 61.789 62.100 0.162 0.000 0.917 432 T CB 0.002 68.964 68.868 0.157 0.000 1.084 432 T HN 0.201 nan 8.240 nan 0.000 0.522 433 Q N 2.278 122.130 119.800 0.087 0.000 2.247 433 Q HA 0.306 4.648 4.340 0.002 0.000 0.234 433 Q C 0.438 176.473 176.000 0.058 0.000 0.899 433 Q CA -0.060 55.782 55.803 0.065 0.000 0.951 433 Q CB 0.080 28.851 28.738 0.055 0.000 1.057 433 Q HN 0.518 nan 8.270 nan 0.000 0.444 434 S N 0.302 116.042 115.700 0.067 0.000 2.558 434 S HA 0.176 4.648 4.470 0.002 0.000 0.288 434 S C -0.034 174.598 174.600 0.053 0.000 1.318 434 S CA -0.239 57.997 58.200 0.061 0.000 1.056 434 S CB 0.439 63.687 63.200 0.080 0.000 0.853 434 S HN 0.136 nan 8.310 nan 0.000 0.505 435 V N 7.629 127.570 119.914 0.045 0.000 2.577 435 V HA 0.474 4.595 4.120 0.002 0.000 0.303 435 V C -2.091 174.028 176.094 0.041 0.000 1.042 435 V CA -1.619 60.705 62.300 0.040 0.000 0.872 435 V CB 1.907 33.749 31.823 0.031 0.000 0.998 435 V HN 0.868 nan 8.190 nan 0.000 0.423 436 P HA 0.304 nan 4.420 nan 0.000 0.271 436 P C -0.443 176.880 177.300 0.038 0.000 1.220 436 P CA 0.265 63.392 63.100 0.044 0.000 0.768 436 P CB 1.374 33.101 31.700 0.044 0.000 0.848 437 S N 1.426 117.150 115.700 0.040 0.000 2.903 437 S HA 0.402 4.873 4.470 0.002 0.000 0.314 437 S C -0.032 174.595 174.600 0.045 0.000 1.177 437 S CA -0.712 57.509 58.200 0.036 0.000 0.859 437 S CB 0.251 63.467 63.200 0.027 0.000 1.265 437 S HN 0.417 nan 8.310 nan 0.000 0.584 438 N N 0.582 119.308 118.700 0.043 0.000 2.688 438 N HA -0.069 4.673 4.740 0.002 0.000 0.258 438 N C 0.809 176.362 175.510 0.072 0.000 1.016 438 N CA 2.278 55.364 53.050 0.060 0.000 0.747 438 N CB -1.389 37.139 38.487 0.070 0.000 0.895 438 N HN 1.962 nan 8.380 nan 0.000 0.543 439 G N 0.614 109.452 108.800 0.063 0.000 2.720 439 G HA2 -0.329 3.633 3.960 0.002 0.000 0.293 439 G HA3 -0.329 3.633 3.960 0.002 0.000 0.293 439 G C 0.105 175.038 174.900 0.056 0.000 1.256 439 G CA 0.559 45.698 45.100 0.065 0.000 0.974 439 G HN 0.526 nan 8.290 nan 0.000 0.551 440 D N 0.369 120.805 120.400 0.061 0.000 2.615 440 D HA 0.129 4.771 4.640 0.002 0.000 0.274 440 D C 1.395 177.733 176.300 0.062 0.000 1.512 440 D CA 0.195 54.227 54.000 0.055 0.000 0.803 440 D CB 0.111 40.938 40.800 0.045 0.000 1.182 440 D HN 0.255 nan 8.370 nan 0.000 0.473 441 N N 0.877 119.620 118.700 0.072 0.000 2.106 441 N HA -0.109 4.632 4.740 0.002 0.000 0.188 441 N C 0.607 176.163 175.510 0.075 0.000 1.029 441 N CA 1.261 54.356 53.050 0.076 0.000 0.848 441 N CB 0.260 38.800 38.487 0.089 0.000 1.007 441 N HN 0.075 nan 8.380 nan 0.000 0.423 442 Q N 0.532 120.375 119.800 0.071 0.000 3.135 442 Q HA 0.058 4.399 4.340 0.002 0.000 0.344 442 Q C -0.511 175.537 176.000 0.080 0.000 1.321 442 Q CA -0.212 55.637 55.803 0.078 0.000 1.050 442 Q CB 0.503 29.272 28.738 0.051 0.000 1.498 442 Q HN 0.532 nan 8.270 nan 0.000 0.503 443 D N -0.958 119.492 120.400 0.083 0.000 2.371 443 D HA -0.046 4.595 4.640 0.002 0.000 0.221 443 D C 0.263 176.615 176.300 0.086 0.000 0.986 443 D CA 0.328 54.372 54.000 0.073 0.000 0.899 443 D CB 0.375 41.212 40.800 0.060 0.000 0.902 443 D HN 0.049 nan 8.370 nan 0.000 0.530 444 V N 1.174 121.161 119.914 0.122 0.000 2.577 444 V HA 0.343 4.465 4.120 0.002 0.000 0.294 444 V C -0.198 176.060 176.094 0.273 0.000 1.052 444 V CA -0.947 61.447 62.300 0.157 0.000 0.891 444 V CB 1.957 33.856 31.823 0.127 0.000 1.017 444 V HN 0.174 nan 8.190 nan 0.000 0.436 445 V N 2.279 122.297 119.914 0.174 0.000 3.181 445 V HA 0.809 4.930 4.120 0.002 0.000 0.314 445 V C 0.903 177.013 176.094 0.027 0.000 1.173 445 V CA 0.324 62.655 62.300 0.052 0.000 1.052 445 V CB 2.012 33.824 31.823 -0.019 0.000 1.123 445 V HN 0.787 nan 8.190 nan 0.000 0.454 446 S N -0.631 114.989 115.700 -0.135 0.000 2.497 446 S HA 0.141 4.612 4.470 0.002 0.000 0.221 446 S C 1.093 175.670 174.600 -0.039 0.000 1.037 446 S CA 0.672 58.831 58.200 -0.068 0.000 0.920 446 S CB -0.209 62.906 63.200 -0.142 0.000 0.800 446 S HN 1.125 nan 8.310 nan 0.000 0.505 447 M N 0.777 120.352 119.600 -0.042 0.000 2.751 447 M HA -0.145 4.336 4.480 0.002 0.000 0.199 447 M C 1.065 177.362 176.300 -0.005 0.000 0.550 447 M CA 0.790 56.085 55.300 -0.008 0.000 0.640 447 M CB -2.576 30.035 32.600 0.018 0.000 2.351 447 M HN 0.565 nan 8.290 nan 0.000 0.613 448 G N 0.137 108.919 108.800 -0.030 0.000 2.442 448 G HA2 -0.119 3.842 3.960 0.002 0.000 0.219 448 G HA3 -0.119 3.842 3.960 0.002 0.000 0.219 448 G C 1.264 176.169 174.900 0.007 0.000 1.141 448 G CA 1.035 46.121 45.100 -0.023 0.000 0.763 448 G HN 0.461 nan 8.290 nan 0.000 0.554 449 L N 0.701 121.937 121.223 0.022 0.000 2.291 449 L HA 0.213 4.555 4.340 0.002 0.000 0.214 449 L C 2.511 179.428 176.870 0.078 0.000 1.120 449 L CA 0.886 55.763 54.840 0.061 0.000 0.799 449 L CB -0.271 41.842 42.059 0.089 0.000 0.925 449 L HN 0.281 nan 8.230 nan 0.000 0.446 450 I N -1.915 118.686 120.570 0.052 0.000 2.333 450 I HA -0.210 3.961 4.170 0.002 0.000 0.246 450 I C 2.319 178.467 176.117 0.050 0.000 1.106 450 I CA 0.844 62.173 61.300 0.049 0.000 1.411 450 I CB -0.420 37.602 38.000 0.036 0.000 1.082 450 I HN 0.109 nan 8.210 nan 0.000 0.420 451 S N 1.133 116.859 115.700 0.043 0.000 2.365 451 S HA -0.237 4.234 4.470 0.002 0.000 0.225 451 S C 2.277 176.906 174.600 0.047 0.000 1.039 451 S CA 1.660 59.885 58.200 0.042 0.000 1.033 451 S CB -0.417 62.798 63.200 0.024 0.000 0.887 451 S HN 0.554 nan 8.310 nan 0.000 0.447 452 A N 1.646 124.495 122.820 0.048 0.000 1.933 452 A HA -0.091 4.230 4.320 0.002 0.000 0.218 452 A C 2.136 179.768 177.584 0.079 0.000 1.175 452 A CA 1.202 53.274 52.037 0.058 0.000 0.628 452 A CB -0.432 18.600 19.000 0.052 0.000 0.814 452 A HN 0.414 nan 8.150 nan 0.000 0.444 453 R N -0.445 120.110 120.500 0.092 0.000 2.148 453 R HA -0.065 4.277 4.340 0.002 0.000 0.227 453 R C 1.588 177.925 176.300 0.063 0.000 1.103 453 R CA 1.130 57.285 56.100 0.091 0.000 0.983 453 R CB -0.291 30.059 30.300 0.083 0.000 0.874 453 R HN 0.497 nan 8.270 nan 0.000 0.451 454 N N 1.053 119.787 118.700 0.057 0.000 2.142 454 N HA -0.104 4.637 4.740 0.002 0.000 0.186 454 N C 1.671 177.214 175.510 0.056 0.000 1.023 454 N CA 1.448 54.529 53.050 0.051 0.000 0.852 454 N CB -0.267 38.252 38.487 0.053 0.000 0.998 454 N HN 0.180 nan 8.380 nan 0.000 0.424 455 A N 1.272 124.129 122.820 0.061 0.000 1.933 455 A HA -0.124 4.198 4.320 0.002 0.000 0.218 455 A C 2.244 179.865 177.584 0.062 0.000 1.175 455 A CA 1.190 53.265 52.037 0.063 0.000 0.628 455 A CB -0.475 18.564 19.000 0.065 0.000 0.814 455 A HN 0.235 nan 8.150 nan 0.000 0.444 456 R N -0.429 120.111 120.500 0.066 0.000 2.096 456 R HA -0.148 4.193 4.340 0.002 0.000 0.235 456 R C 2.426 178.760 176.300 0.057 0.000 1.127 456 R CA 1.650 57.790 56.100 0.067 0.000 0.968 456 R CB -0.271 30.081 30.300 0.085 0.000 0.861 456 R HN 0.580 nan 8.270 nan 0.000 0.440 457 R N 0.030 120.560 120.500 0.050 0.000 2.066 457 R HA -0.074 4.268 4.340 0.002 0.000 0.232 457 R C 2.063 178.389 176.300 0.043 0.000 1.131 457 R CA 1.577 57.702 56.100 0.041 0.000 0.955 457 R CB -0.167 30.154 30.300 0.034 0.000 0.851 457 R HN 0.122 nan 8.270 nan 0.000 0.432 458 V N 1.745 121.687 119.914 0.047 0.000 2.407 458 V HA -0.231 3.890 4.120 0.002 0.000 0.248 458 V C 2.295 178.418 176.094 0.050 0.000 1.055 458 V CA 1.485 63.813 62.300 0.047 0.000 1.049 458 V CB -0.527 31.326 31.823 0.050 0.000 0.662 458 V HN 0.368 nan 8.190 nan 0.000 0.455 459 L N 0.235 121.490 121.223 0.052 0.000 2.017 459 L HA -0.126 4.216 4.340 0.002 0.000 0.208 459 L C 2.603 179.505 176.870 0.052 0.000 1.073 459 L CA 2.509 57.382 54.840 0.054 0.000 0.745 459 L CB -0.918 41.175 42.059 0.056 0.000 0.894 459 L HN 0.296 nan 8.230 nan 0.000 0.432 460 S N -0.303 115.426 115.700 0.049 0.000 2.368 460 S HA -0.187 4.285 4.470 0.002 0.000 0.225 460 S C 1.837 176.464 174.600 0.045 0.000 1.030 460 S CA 1.582 59.809 58.200 0.046 0.000 0.999 460 S CB -0.492 62.732 63.200 0.041 0.000 0.844 460 S HN 0.671 nan 8.310 nan 0.000 0.459 461 N N 2.098 120.824 118.700 0.044 0.000 2.309 461 N HA 0.012 4.754 4.740 0.002 0.000 0.182 461 N C 1.298 176.838 175.510 0.051 0.000 1.018 461 N CA 0.768 53.845 53.050 0.044 0.000 0.876 461 N CB -0.780 37.732 38.487 0.041 0.000 0.972 461 N HN 0.438 nan 8.380 nan 0.000 0.434 462 N N 1.258 119.990 118.700 0.053 0.000 2.381 462 N HA -0.030 4.711 4.740 0.002 0.000 0.182 462 N C 1.090 176.641 175.510 0.068 0.000 1.025 462 N CA 0.425 53.510 53.050 0.059 0.000 0.888 462 N CB -0.234 38.288 38.487 0.058 0.000 0.965 462 N HN 0.272 nan 8.380 nan 0.000 0.438 463 N N 0.868 119.606 118.700 0.064 0.000 2.270 463 N HA -0.057 4.684 4.740 0.002 0.000 0.181 463 N C 1.501 177.052 175.510 0.068 0.000 1.016 463 N CA 0.789 53.879 53.050 0.067 0.000 0.870 463 N CB 0.075 38.596 38.487 0.057 0.000 0.979 463 N HN 0.211 nan 8.380 nan 0.000 0.431 464 K N 0.939 121.376 120.400 0.062 0.000 2.031 464 K HA 0.133 4.454 4.320 0.002 0.000 0.205 464 K C 2.061 178.706 176.600 0.074 0.000 1.049 464 K CA 0.525 56.849 56.287 0.062 0.000 0.939 464 K CB -0.177 32.354 32.500 0.052 0.000 0.717 464 K HN 0.095 nan 8.250 nan 0.000 0.438 465 I N 0.734 121.347 120.570 0.071 0.000 2.163 465 I HA -0.324 3.847 4.170 0.002 0.000 0.243 465 I C 2.025 178.195 176.117 0.088 0.000 1.085 465 I CA 1.347 62.691 61.300 0.073 0.000 1.347 465 I CB -0.347 37.691 38.000 0.064 0.000 1.044 465 I HN 0.108 nan 8.210 nan 0.000 0.408 466 L N 0.510 121.795 121.223 0.104 0.000 2.083 466 L HA -0.195 4.146 4.340 0.002 0.000 0.209 466 L C 2.881 179.884 176.870 0.221 0.000 1.083 466 L CA 1.230 56.165 54.840 0.159 0.000 0.752 466 L CB -0.715 41.458 42.059 0.190 0.000 0.899 466 L HN 0.249 nan 8.230 nan 0.000 0.433 467 A N -0.260 122.648 122.820 0.148 0.000 1.908 467 A HA -0.174 4.147 4.320 0.002 0.000 0.218 467 A C 2.323 180.007 177.584 0.167 0.000 1.181 467 A CA 2.008 54.125 52.037 0.134 0.000 0.627 467 A CB -0.828 18.227 19.000 0.092 0.000 0.818 467 A HN 0.217 nan 8.150 nan 0.000 0.445 468 V N -0.303 119.699 119.914 0.146 0.000 2.358 468 V HA -0.235 3.886 4.120 0.002 0.000 0.246 468 V C 2.467 178.642 176.094 0.135 0.000 1.047 468 V CA 2.144 64.547 62.300 0.172 0.000 1.035 468 V CB -0.698 31.210 31.823 0.143 0.000 0.658 468 V HN 0.690 nan 8.190 nan 0.000 0.452 469 E N -0.766 119.483 120.200 0.082 0.000 2.077 469 E HA -0.239 4.112 4.350 0.002 0.000 0.193 469 E C 2.196 178.755 176.600 -0.068 0.000 0.989 469 E CA 1.641 58.031 56.400 -0.017 0.000 0.800 469 E CB -0.179 29.488 29.700 -0.055 0.000 0.746 469 E HN 0.704 nan 8.360 nan 0.000 0.452 470 Y N 0.638 120.878 120.300 -0.100 0.000 2.181 470 Y HA -0.217 4.334 4.550 0.002 0.000 0.288 470 Y C 2.218 178.071 175.900 -0.077 0.000 1.146 470 Y CA 1.184 59.189 58.100 -0.159 0.000 1.164 470 Y CB -0.110 38.172 38.460 -0.296 0.000 0.982 470 Y HN 0.074 nan 8.280 nan 0.000 0.515 471 L N -1.225 120.095 121.223 0.161 0.000 2.005 471 L HA -0.241 4.101 4.340 0.002 0.000 0.207 471 L C 2.722 179.547 176.870 -0.075 0.000 1.072 471 L CA 1.119 56.062 54.840 0.171 0.000 0.744 471 L CB -0.979 41.315 42.059 0.393 0.000 0.895 471 L HN 0.211 nan 8.230 nan 0.000 0.433 472 A N 0.109 122.756 122.820 -0.289 0.000 1.917 472 A HA -0.281 4.040 4.320 0.002 0.000 0.219 472 A C 2.501 179.883 177.584 -0.337 0.000 1.182 472 A CA 2.115 53.761 52.037 -0.652 0.000 0.633 472 A CB -0.821 17.915 19.000 -0.440 0.000 0.819 472 A HN 0.462 nan 8.150 nan 0.000 0.448 473 A N -0.261 122.448 122.820 -0.185 0.000 1.858 473 A HA 0.122 4.444 4.320 0.002 0.000 0.216 473 A C 2.564 180.141 177.584 -0.011 0.000 1.190 473 A CA 2.406 54.375 52.037 -0.112 0.000 0.617 473 A CB -1.178 17.736 19.000 -0.143 0.000 0.827 473 A HN 1.168 nan 8.150 nan 0.000 0.443 474 A N -0.982 121.863 122.820 0.041 0.000 1.883 474 A HA -0.223 4.099 4.320 0.002 0.000 0.217 474 A C 2.174 179.855 177.584 0.162 0.000 1.186 474 A CA 2.285 54.430 52.037 0.180 0.000 0.624 474 A CB -0.641 18.381 19.000 0.038 0.000 0.822 474 A HN 0.572 nan 8.150 nan 0.000 0.444 475 Q N 0.006 119.816 119.800 0.017 0.000 2.045 475 Q HA -0.121 4.220 4.340 0.002 0.000 0.206 475 Q C 2.034 178.027 176.000 -0.013 0.000 0.991 475 Q CA 2.629 58.429 55.803 -0.005 0.000 0.851 475 Q CB -0.702 27.926 28.738 -0.183 0.000 0.911 475 Q HN 0.561 nan 8.270 nan 0.000 0.418 476 A N -0.665 122.108 122.820 -0.078 0.000 2.019 476 A HA -0.100 4.221 4.320 0.002 0.000 0.219 476 A C 2.248 179.832 177.584 0.000 0.000 1.164 476 A CA 1.455 53.460 52.037 -0.053 0.000 0.644 476 A CB -0.662 18.287 19.000 -0.084 0.000 0.805 476 A HN 0.287 nan 8.150 nan 0.000 0.449 477 V N 1.607 121.549 119.914 0.047 0.000 2.229 477 V HA -0.202 3.919 4.120 0.002 0.000 0.243 477 V C 1.777 177.896 176.094 0.042 0.000 1.042 477 V CA 2.208 64.540 62.300 0.053 0.000 1.000 477 V CB -0.802 31.085 31.823 0.107 0.000 0.637 477 V HN 0.871 nan 8.190 nan 0.000 0.446 478 D N -1.144 119.312 120.400 0.092 0.000 2.400 478 D HA 0.017 4.658 4.640 0.002 0.000 0.243 478 D C 0.954 177.284 176.300 0.050 0.000 1.184 478 D CA 0.435 54.473 54.000 0.064 0.000 0.853 478 D CB -0.077 40.790 40.800 0.112 0.000 0.944 478 D HN 0.489 nan 8.370 nan 0.000 0.501 479 I N -0.530 120.061 120.570 0.035 0.000 4.471 479 I HA -0.006 4.165 4.170 0.002 0.000 0.326 479 I C 1.311 177.434 176.117 0.011 0.000 1.300 479 I CA 0.347 61.661 61.300 0.022 0.000 1.237 479 I CB 0.452 38.462 38.000 0.016 0.000 1.195 479 I HN 0.135 nan 8.210 nan 0.000 0.427 480 S N -0.192 115.513 115.700 0.009 0.000 2.497 480 S HA 0.251 4.722 4.470 0.002 0.000 0.218 480 S C 1.381 175.984 174.600 0.007 0.000 1.023 480 S CA 0.489 58.691 58.200 0.004 0.000 0.913 480 S CB 0.613 63.812 63.200 -0.001 0.000 0.800 480 S HN 0.530 nan 8.310 nan 0.000 0.505 481 G N 1.718 110.525 108.800 0.012 0.000 2.401 481 G HA2 -0.209 3.752 3.960 0.002 0.000 0.283 481 G HA3 -0.209 3.752 3.960 0.002 0.000 0.283 481 G C 0.155 175.063 174.900 0.014 0.000 1.117 481 G CA -0.023 45.087 45.100 0.017 0.000 1.051 481 G HN 0.540 nan 8.290 nan 0.000 0.510 482 R N -0.892 119.614 120.500 0.009 0.000 2.596 482 R HA 0.286 4.628 4.340 0.002 0.000 0.369 482 R C 1.642 177.917 176.300 -0.041 0.000 1.042 482 R CA -0.352 55.737 56.100 -0.018 0.000 1.120 482 R CB 0.031 30.313 30.300 -0.031 0.000 1.353 482 R HN 0.368 nan 8.270 nan 0.000 0.564 483 F N 2.001 121.846 119.950 -0.175 0.000 2.202 483 F HA -0.202 4.326 4.527 0.002 0.000 0.301 483 F C 1.203 176.903 175.800 -0.167 0.000 1.082 483 F CA 1.689 59.533 58.000 -0.261 0.000 1.313 483 F CB 0.278 39.066 39.000 -0.353 0.000 1.024 483 F HN 0.006 nan 8.300 nan 0.000 0.495 484 D N -0.524 119.732 120.400 -0.240 0.000 2.347 484 D HA 0.024 4.666 4.640 0.002 0.000 0.213 484 D C 2.298 178.453 176.300 -0.242 0.000 0.985 484 D CA 1.053 54.883 54.000 -0.285 0.000 0.879 484 D CB -0.375 40.369 40.800 -0.093 0.000 0.919 484 D HN 0.460 nan 8.370 nan 0.000 0.526 485 G N 0.295 108.978 108.800 -0.196 0.000 2.838 485 G HA2 0.082 4.043 3.960 0.002 0.000 0.210 485 G HA3 0.082 4.043 3.960 0.002 0.000 0.210 485 G C 0.806 175.606 174.900 -0.168 0.000 1.153 485 G CA -0.255 44.758 45.100 -0.145 0.000 0.778 485 G HN 0.152 nan 8.290 nan 0.000 0.539 486 L N 2.856 123.933 121.223 -0.242 0.000 2.462 486 L HA 0.178 4.519 4.340 0.002 0.000 0.272 486 L C 1.384 178.136 176.870 -0.196 0.000 1.166 486 L CA -0.555 54.157 54.840 -0.214 0.000 0.880 486 L CB 0.780 42.682 42.059 -0.262 0.000 1.142 486 L HN 0.246 nan 8.230 nan 0.000 0.473 487 S N 3.608 119.234 115.700 -0.124 0.000 2.592 487 S HA 0.103 4.575 4.470 0.002 0.000 0.256 487 S C -1.707 172.841 174.600 -0.087 0.000 1.369 487 S CA -0.929 57.214 58.200 -0.096 0.000 0.984 487 S CB 0.355 63.512 63.200 -0.071 0.000 0.919 487 S HN 0.442 nan 8.310 nan 0.000 0.576 488 P HA -0.069 nan 4.420 nan 0.000 0.215 488 P C 1.656 178.954 177.300 -0.002 0.000 1.157 488 P CA 2.110 65.190 63.100 -0.033 0.000 0.874 488 P CB -0.322 31.366 31.700 -0.021 0.000 0.790 489 A N -0.197 122.622 122.820 -0.002 0.000 1.898 489 A HA -0.095 4.226 4.320 0.002 0.000 0.216 489 A C 2.322 179.934 177.584 0.046 0.000 1.181 489 A CA 2.052 54.104 52.037 0.025 0.000 0.620 489 A CB -1.630 17.373 19.000 0.006 0.000 0.819 489 A HN 0.178 nan 8.150 nan 0.000 0.442 490 A N -0.027 122.801 122.820 0.012 0.000 1.883 490 A HA -0.205 4.116 4.320 0.002 0.000 0.217 490 A C 2.123 179.771 177.584 0.107 0.000 1.186 490 A CA 1.941 53.996 52.037 0.030 0.000 0.624 490 A CB -0.485 18.497 19.000 -0.029 0.000 0.822 490 A HN 0.549 nan 8.150 nan 0.000 0.444 491 K N -0.419 120.016 120.400 0.057 0.000 2.057 491 K HA -0.064 4.257 4.320 0.002 0.000 0.207 491 K C 2.345 179.120 176.600 0.291 0.000 1.049 491 K CA 1.065 57.450 56.287 0.164 0.000 0.931 491 K CB -0.360 32.135 32.500 -0.008 0.000 0.714 491 K HN 0.451 nan 8.250 nan 0.000 0.440 492 A N 1.155 124.087 122.820 0.186 0.000 1.883 492 A HA -0.197 4.124 4.320 0.002 0.000 0.217 492 A C 2.260 179.994 177.584 0.250 0.000 1.186 492 A CA 2.280 54.430 52.037 0.188 0.000 0.624 492 A CB -1.109 17.970 19.000 0.131 0.000 0.822 492 A HN 0.288 nan 8.150 nan 0.000 0.444 493 T N -1.602 113.112 114.554 0.267 0.000 2.708 493 T HA -0.181 4.170 4.350 0.002 0.000 0.266 493 T C 1.790 176.711 174.700 0.367 0.000 1.037 493 T CA 1.646 63.956 62.100 0.350 0.000 1.146 493 T CB -0.501 68.510 68.868 0.239 0.000 0.865 493 T HN 0.567 nan 8.240 nan 0.000 0.435 494 Y N 2.490 122.922 120.300 0.220 0.000 2.097 494 Y HA -0.210 4.341 4.550 0.002 0.000 0.282 494 Y C 2.490 178.512 175.900 0.204 0.000 1.152 494 Y CA 1.674 59.903 58.100 0.217 0.000 1.136 494 Y CB -0.282 38.342 38.460 0.273 0.000 0.975 494 Y HN 0.152 nan 8.280 nan 0.000 0.498 495 E N 0.441 120.821 120.200 0.300 0.000 2.085 495 E HA -0.272 4.080 4.350 0.002 0.000 0.194 495 E C 2.426 179.050 176.600 0.041 0.000 0.994 495 E CA 1.165 57.645 56.400 0.133 0.000 0.801 495 E CB -0.721 29.109 29.700 0.217 0.000 0.743 495 E HN 0.621 nan 8.360 nan 0.000 0.453 496 A N 1.326 124.227 122.820 0.134 0.000 1.917 496 A HA -0.167 4.154 4.320 0.002 0.000 0.219 496 A C 2.629 180.295 177.584 0.137 0.000 1.182 496 A CA 1.696 53.800 52.037 0.110 0.000 0.633 496 A CB -0.671 18.471 19.000 0.237 0.000 0.819 496 A HN 0.142 nan 8.150 nan 0.000 0.448 497 V N -0.016 120.023 119.914 0.210 0.000 2.283 497 V HA -0.177 3.944 4.120 0.002 0.000 0.243 497 V C 2.658 178.734 176.094 -0.030 0.000 1.039 497 V CA 1.785 64.176 62.300 0.152 0.000 1.016 497 V CB -0.773 31.115 31.823 0.108 0.000 0.650 497 V HN 0.458 nan 8.190 nan 0.000 0.449 498 R N 0.371 120.748 120.500 -0.205 0.000 2.105 498 R HA -0.156 4.186 4.340 0.002 0.000 0.239 498 R C 2.300 178.545 176.300 -0.092 0.000 1.135 498 R CA 1.398 57.376 56.100 -0.203 0.000 0.967 498 R CB -0.820 29.272 30.300 -0.347 0.000 0.861 498 R HN 0.431 nan 8.270 nan 0.000 0.442 499 R N 0.858 121.315 120.500 -0.070 0.000 2.303 499 R HA -0.052 4.289 4.340 0.002 0.000 0.225 499 R C 1.627 177.904 176.300 -0.038 0.000 1.114 499 R CA 0.914 56.987 56.100 -0.045 0.000 1.007 499 R CB 0.058 30.333 30.300 -0.042 0.000 0.861 499 R HN 0.210 nan 8.270 nan 0.000 0.471 500 L N -1.603 119.603 121.223 -0.027 0.000 2.515 500 L HA 0.267 4.609 4.340 0.002 0.000 0.202 500 L C -0.100 176.772 176.870 0.004 0.000 1.056 500 L CA -0.087 54.747 54.840 -0.011 0.000 0.847 500 L CB 0.798 42.860 42.059 0.004 0.000 1.131 500 L HN -0.152 nan 8.230 nan 0.000 0.484 501 V N 0.547 120.467 119.914 0.009 0.000 2.638 501 V HA 0.411 4.532 4.120 0.002 0.000 0.306 501 V C -2.428 173.667 176.094 0.002 0.000 1.052 501 V CA -1.497 60.815 62.300 0.020 0.000 0.885 501 V CB 1.957 33.813 31.823 0.055 0.000 0.999 501 V HN -0.061 nan 8.190 nan 0.000 0.424 502 P HA 0.313 nan 4.420 nan 0.000 0.277 502 P C 0.123 177.440 177.300 0.028 0.000 1.271 502 P CA -0.242 62.858 63.100 0.001 0.000 0.795 502 P CB 0.354 32.057 31.700 0.005 0.000 1.101 503 T N 0.522 115.095 114.554 0.033 0.000 2.795 503 T HA 0.134 4.485 4.350 0.002 0.000 0.314 503 T C 0.019 174.766 174.700 0.078 0.000 1.069 503 T CA 0.253 62.396 62.100 0.071 0.000 1.071 503 T CB -0.116 68.793 68.868 0.069 0.000 0.988 503 T HN 0.182 nan 8.240 nan 0.000 0.543 504 L N 2.357 123.652 121.223 0.119 0.000 2.264 504 L HA 0.559 4.900 4.340 0.002 0.000 0.287 504 L C 0.713 177.610 176.870 0.047 0.000 1.039 504 L CA 0.103 54.998 54.840 0.092 0.000 0.829 504 L CB 0.199 42.353 42.059 0.158 0.000 1.211 504 L HN 0.734 nan 8.230 nan 0.000 0.427 505 G N 3.977 112.777 108.800 0.001 0.000 2.672 505 G HA2 0.214 4.176 3.960 0.002 0.000 0.200 505 G HA3 0.214 4.176 3.960 0.002 0.000 0.200 505 G C 0.394 175.213 174.900 -0.136 0.000 1.819 505 G CA 0.426 45.496 45.100 -0.050 0.000 0.902 505 G HN 0.669 nan 8.290 nan 0.000 0.512 506 V N 0.306 120.137 119.914 -0.138 0.000 3.376 506 V HA 0.426 4.547 4.120 0.002 0.000 0.303 506 V C -0.152 175.943 176.094 0.002 0.000 1.100 506 V CA -0.364 61.824 62.300 -0.188 0.000 1.126 506 V CB 0.910 32.790 31.823 0.095 0.000 1.085 506 V HN 0.651 nan 8.190 nan 0.000 0.480 507 D N 1.136 121.660 120.400 0.206 0.000 2.283 507 D HA 0.658 5.299 4.640 0.002 0.000 0.248 507 D C -0.132 176.208 176.300 0.067 0.000 1.072 507 D CA -0.699 53.362 54.000 0.102 0.000 0.929 507 D CB 1.116 41.983 40.800 0.112 0.000 1.182 507 D HN 0.865 nan 8.370 nan 0.000 0.433 508 R N -0.651 119.858 120.500 0.015 0.000 2.929 508 R HA 0.405 4.746 4.340 0.002 0.000 0.259 508 R C -1.187 175.140 176.300 0.045 0.000 1.141 508 R CA -1.193 54.934 56.100 0.044 0.000 0.991 508 R CB -0.100 30.232 30.300 0.052 0.000 1.287 508 R HN 0.395 nan 8.270 nan 0.000 0.450 509 Y N 1.803 122.078 120.300 -0.042 0.000 2.677 509 Y HA -0.011 4.540 4.550 0.003 0.000 0.335 509 Y C 0.732 176.594 175.900 -0.063 0.000 1.162 509 Y CA 0.409 58.482 58.100 -0.044 0.000 1.483 509 Y CB 0.604 39.047 38.460 -0.029 0.000 1.209 509 Y HN 0.494 nan 8.280 nan 0.000 0.528 510 M N 4.490 123.950 119.600 -0.233 0.000 2.466 510 M HA 0.039 4.520 4.480 0.002 0.000 0.265 510 M C 2.267 178.480 176.300 -0.145 0.000 1.122 510 M CA 1.057 56.245 55.300 -0.188 0.000 1.157 510 M CB -1.404 31.039 32.600 -0.263 0.000 1.352 510 M HN 0.826 nan 8.290 nan 0.000 0.464 511 A N 1.454 124.084 122.820 -0.316 0.000 1.915 511 A HA -0.245 4.076 4.320 0.002 0.000 0.220 511 A C 1.890 179.513 177.584 0.064 0.000 1.198 511 A CA 2.380 54.328 52.037 -0.148 0.000 0.647 511 A CB -0.876 17.973 19.000 -0.251 0.000 0.825 511 A HN 0.465 nan 8.150 nan 0.000 0.456 512 D N -0.317 120.210 120.400 0.212 0.000 2.149 512 D HA -0.100 4.541 4.640 0.002 0.000 0.201 512 D C 1.342 177.694 176.300 0.087 0.000 0.972 512 D CA 1.332 55.426 54.000 0.157 0.000 0.835 512 D CB -0.405 40.492 40.800 0.162 0.000 0.966 512 D HN 0.438 nan 8.370 nan 0.000 0.476 513 D N 0.909 121.353 120.400 0.073 0.000 2.097 513 D HA -0.085 4.557 4.640 0.002 0.000 0.195 513 D C 2.389 178.723 176.300 0.058 0.000 0.989 513 D CA 0.406 54.439 54.000 0.055 0.000 0.827 513 D CB -0.323 40.500 40.800 0.039 0.000 0.966 513 D HN 0.265 nan 8.370 nan 0.000 0.456 514 I N 0.781 121.376 120.570 0.043 0.000 2.118 514 I HA -0.281 3.891 4.170 0.002 0.000 0.241 514 I C 2.409 178.558 176.117 0.054 0.000 1.070 514 I CA 1.235 62.567 61.300 0.052 0.000 1.327 514 I CB -0.230 37.786 38.000 0.026 0.000 1.034 514 I HN -0.076 nan 8.210 nan 0.000 0.405 515 E N 0.907 121.135 120.200 0.046 0.000 2.204 515 E HA -0.223 4.128 4.350 0.002 0.000 0.195 515 E C 1.879 178.504 176.600 0.042 0.000 0.990 515 E CA 0.956 57.383 56.400 0.044 0.000 0.821 515 E CB -0.176 29.551 29.700 0.045 0.000 0.750 515 E HN 0.318 nan 8.360 nan 0.000 0.477 516 L N -0.607 120.643 121.223 0.045 0.000 2.027 516 L HA -0.076 4.265 4.340 0.002 0.000 0.206 516 L C 2.060 178.955 176.870 0.043 0.000 1.074 516 L CA 1.418 56.280 54.840 0.036 0.000 0.745 516 L CB -0.541 41.539 42.059 0.036 0.000 0.898 516 L HN 0.062 nan 8.230 nan 0.000 0.433 517 V N 0.078 120.032 119.914 0.067 0.000 2.759 517 V HA -0.159 3.963 4.120 0.002 0.000 0.256 517 V C 2.672 178.812 176.094 0.077 0.000 1.080 517 V CA 1.249 63.608 62.300 0.097 0.000 1.101 517 V CB -1.257 30.635 31.823 0.115 0.000 0.698 517 V HN 0.573 nan 8.190 nan 0.000 0.477 518 A N -0.178 122.677 122.820 0.058 0.000 1.930 518 A HA -0.139 4.183 4.320 0.002 0.000 0.215 518 A C 1.990 179.598 177.584 0.041 0.000 1.176 518 A CA 1.473 53.540 52.037 0.050 0.000 0.632 518 A CB -0.372 18.657 19.000 0.049 0.000 0.819 518 A HN 0.493 nan 8.150 nan 0.000 0.445 519 D N 0.354 120.772 120.400 0.031 0.000 2.149 519 D HA -0.001 4.641 4.640 0.002 0.000 0.201 519 D C 2.225 178.527 176.300 0.003 0.000 0.972 519 D CA 1.353 55.364 54.000 0.017 0.000 0.835 519 D CB -0.401 40.405 40.800 0.010 0.000 0.966 519 D HN 0.395 nan 8.370 nan 0.000 0.476 520 A N 1.019 123.836 122.820 -0.005 0.000 1.877 520 A HA -0.140 4.181 4.320 0.002 0.000 0.216 520 A C 2.383 179.948 177.584 -0.032 0.000 1.186 520 A CA 0.942 52.942 52.037 -0.062 0.000 0.620 520 A CB -0.917 18.017 19.000 -0.110 0.000 0.822 520 A HN 0.191 nan 8.150 nan 0.000 0.443 521 L N 0.491 121.753 121.223 0.065 0.000 2.042 521 L HA -0.197 4.144 4.340 0.002 0.000 0.210 521 L C 2.830 179.737 176.870 0.061 0.000 1.076 521 L CA 1.697 56.598 54.840 0.102 0.000 0.749 521 L CB -0.314 41.778 42.059 0.056 0.000 0.893 521 L HN 0.623 nan 8.230 nan 0.000 0.432 522 S N -1.097 114.627 115.700 0.040 0.000 2.603 522 S HA -0.058 4.413 4.470 0.002 0.000 0.229 522 S C 1.773 176.386 174.600 0.021 0.000 0.972 522 S CA 0.289 58.510 58.200 0.035 0.000 0.935 522 S CB -0.179 63.041 63.200 0.033 0.000 0.769 522 S HN 0.408 nan 8.310 nan 0.000 0.536 523 R N -0.027 120.475 120.500 0.003 0.000 2.335 523 R HA 0.279 4.620 4.340 0.002 0.000 0.210 523 R C 1.278 177.567 176.300 -0.018 0.000 0.892 523 R CA 0.464 56.555 56.100 -0.015 0.000 1.048 523 R CB 0.239 30.514 30.300 -0.042 0.000 1.067 523 R HN 0.533 nan 8.270 nan 0.000 0.524 524 G N 1.762 110.559 108.800 -0.005 0.000 2.132 524 G HA2 -0.228 3.734 3.960 0.002 0.000 0.228 524 G HA3 -0.228 3.734 3.960 0.002 0.000 0.228 524 G C 0.577 175.442 174.900 -0.058 0.000 1.000 524 G CA 0.228 45.333 45.100 0.008 0.000 0.693 524 G HN 0.221 nan 8.290 nan 0.000 0.515 525 E N -0.683 119.409 120.200 -0.180 0.000 2.097 525 E HA -0.064 4.287 4.350 0.002 0.000 0.196 525 E C 1.230 177.555 176.600 -0.458 0.000 1.000 525 E CA 0.975 57.143 56.400 -0.387 0.000 0.804 525 E CB -0.103 29.212 29.700 -0.641 0.000 0.740 525 E HN 0.630 nan 8.360 nan 0.000 0.454 526 F N -0.625 119.292 119.950 -0.055 0.000 2.362 526 F HA 0.197 4.725 4.527 0.002 0.000 0.311 526 F C 1.696 177.513 175.800 0.027 0.000 1.161 526 F CA -0.311 57.689 58.000 -0.000 0.000 1.085 526 F CB 0.295 39.291 39.000 -0.007 0.000 1.311 526 F HN -0.129 nan 8.300 nan 0.000 0.524 527 L N -0.514 120.852 121.223 0.238 0.000 3.417 527 L HA -0.378 3.963 4.340 0.002 0.000 0.368 527 L C 1.660 178.579 176.870 0.081 0.000 0.810 527 L CA 2.325 57.249 54.840 0.140 0.000 3.108 527 L CB -1.092 41.043 42.059 0.126 0.000 0.687 527 L HN 0.738 nan 8.230 nan 0.000 0.756 528 R N -0.341 120.186 120.500 0.045 0.000 2.073 528 R HA 0.149 4.490 4.340 0.002 0.000 0.229 528 R C 2.149 178.457 176.300 0.013 0.000 1.120 528 R CA 1.550 57.656 56.100 0.010 0.000 0.967 528 R CB -0.406 29.875 30.300 -0.032 0.000 0.862 528 R HN 0.727 nan 8.270 nan 0.000 0.436 529 A N 0.879 123.709 122.820 0.016 0.000 1.902 529 A HA -0.156 4.166 4.320 0.002 0.000 0.217 529 A C 1.975 179.599 177.584 0.066 0.000 1.181 529 A CA 1.224 53.282 52.037 0.035 0.000 0.623 529 A CB -0.334 18.696 19.000 0.051 0.000 0.818 529 A HN 0.134 nan 8.150 nan 0.000 0.443 530 I N -0.006 120.619 120.570 0.091 0.000 2.315 530 I HA -0.179 3.992 4.170 0.002 0.000 0.248 530 I C 2.779 178.927 176.117 0.051 0.000 1.117 530 I CA 1.090 62.437 61.300 0.078 0.000 1.404 530 I CB -0.470 37.582 38.000 0.086 0.000 1.071 530 I HN 0.320 nan 8.210 nan 0.000 0.419 531 A N 0.113 122.960 122.820 0.046 0.000 1.898 531 A HA -0.218 4.104 4.320 0.002 0.000 0.216 531 A C 2.522 180.121 177.584 0.025 0.000 1.181 531 A CA 1.827 53.883 52.037 0.032 0.000 0.620 531 A CB -0.542 18.476 19.000 0.029 0.000 0.819 531 A HN 0.406 nan 8.150 nan 0.000 0.442 532 R N -0.306 120.209 120.500 0.024 0.000 2.055 532 R HA -0.066 4.276 4.340 0.002 0.000 0.228 532 R C 1.115 177.429 176.300 0.023 0.000 1.143 532 R CA 1.430 57.541 56.100 0.019 0.000 0.945 532 R CB -0.276 30.031 30.300 0.012 0.000 0.841 532 R HN 0.329 nan 8.270 nan 0.000 0.429 533 E N -0.016 120.203 120.200 0.032 0.000 2.512 533 E HA -0.008 4.343 4.350 0.002 0.000 0.195 533 E C 0.297 176.917 176.600 0.033 0.000 1.083 533 E CA 0.672 57.094 56.400 0.037 0.000 0.873 533 E CB 0.898 30.629 29.700 0.052 0.000 0.897 533 E HN 0.484 nan 8.360 nan 0.000 0.514 534 T N -1.295 113.276 114.554 0.028 0.000 3.172 534 T HA -0.033 4.318 4.350 0.002 0.000 0.261 534 T C 0.499 175.209 174.700 0.016 0.000 0.854 534 T CA 0.216 62.330 62.100 0.022 0.000 0.848 534 T CB 0.543 69.426 68.868 0.025 0.000 1.267 534 T HN 0.113 nan 8.240 nan 0.000 0.581 535 D N 0.423 120.834 120.400 0.018 0.000 2.705 535 D HA -0.176 4.465 4.640 0.002 0.000 0.187 535 D C -0.088 176.220 176.300 0.014 0.000 1.015 535 D CA 0.599 54.608 54.000 0.014 0.000 1.030 535 D CB -1.871 38.935 40.800 0.010 0.000 1.100 535 D HN 0.575 nan 8.370 nan 0.000 0.439 536 I N 0.753 121.332 120.570 0.015 0.000 2.821 536 I HA -0.106 4.065 4.170 0.002 0.000 0.294 536 I C 0.809 176.936 176.117 0.017 0.000 1.210 536 I CA 0.904 62.211 61.300 0.013 0.000 1.430 536 I CB 0.377 38.384 38.000 0.012 0.000 1.356 536 I HN 0.165 nan 8.210 nan 0.000 0.563 537 Q N 7.285 127.093 119.800 0.014 0.000 2.430 537 Q HA 0.408 4.750 4.340 0.002 0.000 0.245 537 Q C -1.077 174.935 176.000 0.019 0.000 1.021 537 Q CA -0.227 55.586 55.803 0.017 0.000 0.867 537 Q CB 0.727 29.473 28.738 0.013 0.000 1.210 537 Q HN 0.499 nan 8.270 nan 0.000 0.487 538 L N 3.986 125.226 121.223 0.027 0.000 2.349 538 L HA 0.422 4.763 4.340 0.002 0.000 0.275 538 L C 0.818 177.713 176.870 0.041 0.000 1.115 538 L CA -0.444 54.415 54.840 0.032 0.000 0.820 538 L CB 0.742 42.825 42.059 0.040 0.000 1.135 538 L HN 0.562 nan 8.230 nan 0.000 0.445 539 R N 0.000 120.528 120.500 0.046 0.000 2.786 539 R HA 0.000 4.341 4.340 0.002 0.000 0.208 539 R CA 0.000 56.139 56.100 0.064 0.000 0.921 539 R CB 0.000 30.343 30.300 0.071 0.000 0.687 539 R HN 0.000 nan 8.270 nan 0.000 0.535